0 B11R0.148 C#CCCCCCCNC(=O)C 2f413787882fc0e2408467e3c319c32a [0,0,0,0,0,0|2,0,2]=4 1 B11R0.148 C#CCCCCCNCC(=O)C 50c933acc541586c072dba14dc5d40a1 [0,0,0,0,0,0|2,0,2]=4 2 B11R0.148 C#CCCCCCNCC(=O)N 322df0ff71cf59e53df921f7ce604a2f [0,0,0,0,0,0|2,0,2]=4 3 B11R0.148 C#CCCCCCNCC(=O)O b8d00f5834615ef2b8fe58bee713c10a [0,0,0,0,0,0|1,0,2]=3 4 B11R0.148 C#CCCCCCOCC(=O)C 2d0da561f5d880cce13aa50e01ba3ca6 [0,0,0,0,0,0|2,0,2]=4 5 B11R0.148 C#CCCCCCOCC(=O)N 37602eb2c9b5f905c84d932a28c16c6d [0,0,0,0,0,0|2,0,2]=4 6 B11R0.148 C#CCCCCCOCC(=O)O f8df082162972f68c515249933b0b517 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.148 C#CCCCCCOCS(=O)O 3ec7af7bc01b9c96cfbb3c3476dacd9d [0,0,0,0,0,0|2,0,2]=4 8 B11R0.148 C#CCCCCNCCC(=O)C af251db10531ad6ec8318c0db73cb5d3 [0,0,0,0,0,0|2,0,2]=4 9 B11R0.148 C#CCCCCNCCC(=O)N c3b04fedc3fa86c04b1ae0f306d0141e [0,0,0,0,0,0|2,0,2]=4 10 B11R0.148 C#CCCCCNCCC(=O)O f5c4aa9a1203cd75c987abbc1a7daa61 [0,0,0,0,0,0|1,0,2]=3 11 B11R0.148 C#CCCCCNCCS(=O)O 1d4e62f97cfa157716dd113fdc9ceac8 [0,0,0,0,0,0|2,0,2]=4 12 B11R0.148 C#CCCCCOCCC(=O)C 7087135c2f0d3f448e3b8c7de7b3d9d6 [0,0,0,0,0,0|2,0,2]=4 13 B11R0.148 C#CCCCCOCCC(=O)N a87966ed9508df3b65ab9745530db605 [0,0,0,0,0,0|2,0,2]=4 14 B11R0.148 C#CCCCCOCCC(=O)O b299e70f8266d037207fed13a9828f50 [0,0,0,0,0,0|1,0,2]=3 15 B11R0.148 C#CCCCNCCCC(=O)C 241668bdc3f266db30dffdad318670a3 [0,0,0,0,0,0|2,0,2]=4 16 B11R0.148 C#CCCCNCCCC(=O)N 7e8787f92219f0bb690f3e588ee68c94 [0,0,0,0,0,0|2,0,2]=4 17 B11R0.148 C#CCCCNCCCC(=O)O cddbbfa1803d94d92ed7c34310a91edf [0,0,0,0,0,0|1,0,2]=3 18 B11R0.148 C#CCCCOCCCC(=O)C ca7578f8e1b8ac604c52aafd76ae9120 [0,0,0,0,0,0|2,0,2]=4 19 B11R0.148 C#CCCCOCCCC(=O)N fc4427d2d1c9fb3c827de50ad38f1582 [0,0,0,0,0,0|2,0,2]=4 20 B11R0.148 C#CCCNCCCCC(=O)C a7a50ff02fbdcf22b0a45093c0853261 [0,0,0,0,0,0|2,0,2]=4 21 B11R0.148 C#CCCNCCCCC(=O)N 994db737366dfe875d701d1b55a0f739 [0,0,0,0,0,0|2,0,2]=4 22 B11R0.148 C#CCCNCCCCC(=O)O 415cdd648357f73e51e2be89ff687f62 [0,0,0,0,0,0|1,0,2]=3 23 B11R0.148 C#CCCNCCOCC(=O)O fed089f463b89cfb4bace74732a09a64 [0,0,0,0,0,0|2,0,2]=4 24 B11R0.148 C#CCCNCCSCC(=O)O abfbc1158a2cae0bd68fadd33eb0bc62 [0,0,0,0,0,0|2,0,2]=4 25 B11R0.148 C#CCCOCCCCC(=O)C bbf7a254b5b28a9abe7734544f357e87 [0,0,0,0,0,0|2,0,2]=4 26 B11R0.148 C#CCCOCCCCC(=O)N 49d55fa8f1767e115c7ebac338786415 [0,0,0,0,0,0|2,0,2]=4 27 B11R0.148 C#CCCOCCCCC(=O)O 2f31cbf3e0a1651cf68befbe5d3cace0 [0,0,0,0,0,0|1,0,2]=3 28 B11R0.148 C#CCCOCCOCC(=O)O 6f626fc5c4200557ad82f5f886822f86 [0,0,0,0,0,0|2,0,2]=4 29 B11R0.148 C#CCNCCCCCC(=O)C 346209ef68873c7b2a240407ba37f9ae [0,0,0,0,0,0|2,0,2]=4 30 B11R0.148 C#CCNCCCCCC(=O)N 17cb4de4a27f2fd016f47df9c2a3dc71 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.148 C#CCNCCCCCC(=O)O b6a77b72fdb4a98c953db9f96913b003 [0,0,0,0,0,0|1,0,2]=3 32 B11R0.148 C#CCNCCCOCC(=O)O 9a4906a4749d191c2a59f4ba1b121086 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.148 C#CCNCCOCCC(=O)O cd228cd151977c041c034553e683a81d [0,0,0,0,0,0|2,0,2]=4 34 B11R0.148 C#CCOCCCCCC(=O)C e31fef1b8497c6cd91cc2fb3c177a28d [0,0,0,0,0,0|2,0,2]=4 35 B11R0.148 C#CCOCCCCCC(=O)N db4ec896036570bde1080d51309244f9 [0,0,0,0,0,0|2,0,2]=4 36 B11R0.148 C#CCOCCCCCC(=O)O 4c941961acf7cc7fa204034d7821c8e9 [0,0,0,0,0,0|1,0,2]=3 37 B11R0.148 C#CCOCCCOCC(=O)O 081037bd4e99106fb886a77f4805eea6 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.148 C#CCOCCNCCC(=O)O 8a53b6d141ab543648f70daf113d22df [0,0,0,0,0,0|2,0,2]=4 39 B11R0.148 C#CCOCCOCCC(=O)O 4566f0a5a3284180e40935352718bb6f [0,0,0,0,0,0|2,0,2]=4 40 B11R0.148 C/C=C/CCCOCCC(=O)C 6af31ccb6c5cfbdc31a7ba1d70c26273 [0,0,0,0,0,0|2,0,2]=4 41 B11R0.148 C/C=C/CCCOCCC(=O)N 7c374036b9aebd774b670515a17c1fea [0,0,0,0,0,0|2,0,2]=4 42 B11R0.148 C/C=C/CCCOCCC(=O)O 8e44447083573a7f76d126de4f324bf8 [0,0,0,0,0,0|1,0,2]=3 43 B11R0.148 C/C=C/CCOCCCC(=O)C 0bfc1e16cd242a6ffba7baaeed75a478 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.148 C/C=C/CCOCCCC(=O)N a69b23d05c409186005f3a6206b5f735 [0,0,0,0,0,0|2,0,2]=4 45 B11R0.148 C/C=C/CCOCCCC(=O)O 0fe3e2c1f4df0d89a2f94cf732ae3a08 [0,0,0,0,0,0|1,0,2]=3 46 B11R0.148 C/C=C/CNCCCCC(=O)N 7f308cdd44f31e4b8a86c42660a5bddb [0,0,0,0,0,0|2,0,2]=4 47 B11R0.148 C/C=C/CNCCCCC(=O)O d1035fd2e4f6859c679e5a8dde788805 [0,0,0,0,0,0|1,0,2]=3 48 B11R0.148 C/C=C/CNCCOCC(=O)O 2709c3cbebbbb95d5b464c5379763a40 [0,0,0,0,0,0|2,0,2]=4 49 B11R0.148 C/C=C/CNCCSCC(=O)O 2540268ddbf8c5ebcb5b7e0327e6c447 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.148 C/C=C/COCCCCC(=O)C bc4770b7051a58da4eb45c98e2b78f18 [0,0,0,0,0,0|2,0,2]=4 51 B11R0.148 C/C=C/COCCCCC(=O)N 867b5bd722b4a0d1b86b52aeef372da4 [0,0,0,0,0,0|2,0,2]=4 52 B11R0.148 C/C=C/COCCCCC(=O)O 8ba58a0d822f5cd347860b1afb57ad5d [0,0,0,0,0,0|1,0,2]=3 53 B11R0.148 C/C=C/COCCOCC(=O)O ea0d2f51923eb64b63b474be64846701 [0,0,0,0,0,0|2,0,2]=4 54 B11R0.148 C/C=C\CCCNCCC(=O)N 6daf8d163285381ef97e307f41d8f5e2 [0,0,0,0,0,0|2,0,2]=4 55 B11R0.148 C/C=C\CCCNCCC(=O)O ff8ef7eaad585bf309257812ded95ffa [0,0,0,0,0,0|1,0,2]=3 56 B11R0.148 C/C=C\CCCNCCS(=O)O 4104229448ff90e809872cf3c6c636c9 [0,0,0,0,0,0|2,0,2]=4 57 B11R0.148 C/C=C\CCCOCCC(=O)C b4e669a2e0688ef6b804e802906b565b [0,0,0,0,0,0|2,0,2]=4 58 B11R0.148 C/C=C\CCCOCCC(=O)N ba118ddda27cce7117e5163dbfab9233 [0,0,0,0,0,0|2,0,2]=4 59 B11R0.148 C/C=C\CCCOCCC(=O)O bf016d443d4be01abd3a3ff616722e9a [0,0,0,0,0,0|1,0,2]=3 60 B11R0.148 C/C=C\CNCCCCC(=O)N c55cf5e28aef3181a5b0ccec86647829 [0,0,0,0,0,0|2,0,2]=4 61 B11R0.148 C/C=C\CNCCCCC(=O)O 71a3ba63862a0761a27f94a6a1fc16c6 [0,0,0,0,0,0|1,0,2]=3 62 B11R0.148 C/C=C\CNCCOCC(=O)O 81d5b6aad6c45f58d73b7ae448203479 [0,0,0,0,0,0|2,0,2]=4 63 B11R0.148 C/C=C\CNCCSCC(=O)O 771f1481e127c7f5c444bba6222f215a [0,0,0,0,0,0|2,0,2]=4 64 B11R0.148 C/C=C\COCCCCC(=O)C a0730490237f018f540fe7a7151b7b1f [0,0,0,0,0,0|2,0,2]=4 65 B11R0.148 C/C=C\COCCCCC(=O)N fff42c66889522a948a1960c8a402a1f [0,0,0,0,0,0|2,0,2]=4 66 B11R0.148 C/C=C\COCCCCC(=O)O 50f111228924402c0cd8a52b811919f0 [0,0,0,0,0,0|1,0,2]=3 67 B11R0.148 C/C=C\COCCOCC(=O)O 5b11515edb67ac311f12bac5f945af07 [0,0,0,0,0,0|2,0,2]=4 68 B11R0.148 C=C(Br)CCOCCCCCC a6f96aa10bef0cb6b12500bf2b506dde [0,0,0,0,0,0|3,0,0]=3 69 B11R0.148 C=C(Br)CCOCCCCCF 8c34727fcf98bec637ac42dfa05c771f [0,0,0,0,0,0|4,0,0]=4 70 B11R0.148 C=C(Br)CCOCCCCOC 7cfcfbd71ed92fb26d278d12d3aa0e2f [0,0,0,0,0,0|4,0,0]=4 71 B11R0.148 C=C(Br)CCOCCCOCC e6e2f9189b1e05561772a9e707b7e6ab [0,0,0,0,0,0|4,0,0]=4 72 B11R0.148 C=C(Br)CCOCCCSCC be4f2583029b2256250e88917a6320e2 [0,0,0,0,0,0|4,0,0]=4 73 B11R0.148 C=C(Br)CCOCCOCCC c31025dc181ed42039513b1dc82f08e8 [0,0,0,0,0,0|4,0,0]=4 74 B11R0.148 C=C(Br)CCOCOCCCC b2674ef293595290f4edc1550cbcc458 [0,0,0,0,0,0|4,0,0]=4 75 B11R0.148 C=C(Br)CNCCCCCCC a2c5c3a5c8b39ffc6201a20725555b17 [0,0,0,0,0,0|3,0,0]=3 76 B11R0.148 C=C(Br)CNCCCCCCCl 02913c1a12b2de86b012ca93313a6da9 [0,0,0,0,0,0|4,0,0]=4 77 B11R0.148 C=C(Br)CNCCCCCCF da4986b0f82eb9d08a0185e447f3314b [0,0,0,0,0,0|4,0,0]=4 78 B11R0.148 C=C(Br)CNCCCCCCO 9d87c2e953e5f83dbe2ab6fb03cb44af [0,0,0,0,0,0|4,0,0]=4 79 B11R0.148 C=C(Br)CNCCCCCOC 2508a79bcaa8856b02b8392efaf3be24 [0,0,0,0,0,0|4,0,0]=4 80 B11R0.148 C=C(Br)CNCCCCSCC 38c1004de344fb4f65a31aad5332449a [0,0,0,0,0,0|4,0,0]=4 81 B11R0.148 C=C(Br)CNCCCOCCC 5958d79ee001cb61f8424db5ccbb34d8 [0,0,0,0,0,0|4,0,0]=4 82 B11R0.148 C=C(Br)CNCCOCCCC 90cd6db218dc45d5b525e1ad42612f87 [0,0,0,0,0,0|4,0,0]=4 83 B11R0.148 C=C(Br)COCCCCCCC 2d3f57176c9c65c11b1e93be7df8b6f4 [0,0,0,0,0,0|3,0,0]=3 84 B11R0.148 C=C(Br)COCCCCCCF 77ab45830ae1d3dff43a0cd9301b63af [0,0,0,0,0,0|4,0,0]=4 85 B11R0.148 C=C(Br)COCCCCCCS b4618afefa8c80dbd886ef21ddbec951 [0,0,0,0,0,0|4,0,0]=4 86 B11R0.148 C=C(Br)COCCCCCOC 37b0377cd4e872d3447b63ec7b9aa638 [0,0,0,0,0,0|4,0,0]=4 87 B11R0.148 C=C(Br)COCCCOCCC 1ff008d3f4eb277cf267176c9d222856 [0,0,0,0,0,0|4,0,0]=4 88 B11R0.148 C=C(Br)COCCOCCCC 54d317d51071e7efb0061c7463cd1518 [0,0,0,0,0,0|4,0,0]=4 89 B11R0.148 C=C(Br)COCCSCCCC 8435bc2c7e6172196edbb8f408e17aea [0,0,0,0,0,0|4,0,0]=4 90 B11R0.148 C=C(C)CCCNCCCCC 2a61d6a86b53b2d6ed8ca64bfa3ebb10 [0,0,0,0,0,0|3,0,0]=3 91 B11R0.148 C=C(C)CCCNCCCCCl c8731ba1f70d8bc13a2e4a40391f9ac0 [0,0,0,0,0,0|4,0,0]=4 92 B11R0.148 C=C(C)CCCNCCCCO 7572f60f6a5b76abf8c2da2af891eb7b [0,0,0,0,0,0|4,0,0]=4 93 B11R0.148 C=C(C)CCCNCCCCS 0775800d0bad2dccb14d485132f98d28 [0,0,0,0,0,0|4,0,0]=4 94 B11R0.148 C=C(C)CCCNCCCOC c9150017886d1482c8b895f9303b099d [0,0,0,0,0,0|4,0,0]=4 95 B11R0.148 C=C(C)CCCNCCCSC a786008002f512f0dfee23897df0246b [0,0,0,0,0,0|4,0,0]=4 96 B11R0.148 C=C(C)CCCNCCOCC 7d4408525a548f819a4a439218b86c6b [0,0,0,0,0,0|4,0,0]=4 97 B11R0.148 C=C(C)CCCNCCSCC 5cd28aff6971764f2b140194b2a3898b [0,0,0,0,0,0|4,0,0]=4 98 B11R0.148 C=C(C)CCCOCCCCC 7ddee3a31fabfc9464b6764c3b9e7cff [0,0,0,0,0,0|3,0,0]=3 99 B11R0.148 C=C(C)CCCOCCCCF 26b3343d7eb194f86527dbdbaadea1a1 [0,0,0,0,0,0|4,0,0]=4 100 B11R0.148 C=C(C)CCCOCCCCS 72887831882c777b2d08bdeaee97b3d5 [0,0,0,0,0,0|4,0,0]=4 101 B11R0.148 C=C(C)CCCOCCCOC cfb76832c98f1b24c2b6910849e874a9 [0,0,0,0,0,0|4,0,0]=4 102 B11R0.148 C=C(C)CCCOCCCSC f709d11388c937542d3f01d13f28b4bc [0,0,0,0,0,0|4,0,0]=4 103 B11R0.148 C=C(C)CCCOCCOCC 1f01a8c58a9f41f11eafa6ecde513af8 [0,0,0,0,0,0|4,0,0]=4 104 B11R0.148 C=C(C)CCCOCCSCC 1d6fc1edadc5e44f2933e7ab7320822b [0,0,0,0,0,0|4,0,0]=4 105 B11R0.148 C=C(C)CCNCCCCCC 7e6410037cc055178b065ec8aa195598 [0,0,0,0,0,0|3,0,0]=3 106 B11R0.148 C=C(C)CCNCCCCCCl 48a2f78ae0d81b19e97870726aadd7d2 [0,0,0,0,0,0|4,0,0]=4 107 B11R0.148 C=C(C)CCNCCCCCF e4049c627170f66e2443e7ae56fc1a31 [0,0,0,0,0,0|4,0,0]=4 108 B11R0.148 C=C(C)CCNCCCCCO c6f3f71deefab5553eb8df4230d39cdd [0,0,0,0,0,0|4,0,0]=4 109 B11R0.148 C=C(C)CCNCCCCOC 2374a065e58ae3e114dd815950b6af1b [0,0,0,0,0,0|4,0,0]=4 110 B11R0.148 C=C(C)CCNCCCCSC 1f14cb8a68c9d13e21b0b4ea6067130e [0,0,0,0,0,0|4,0,0]=4 111 B11R0.148 C=C(C)CCNCCCOCC ff704d26de364b46d8c436a83f70fd2e [0,0,0,0,0,0|4,0,0]=4 112 B11R0.148 C=C(C)CCNCCCSCC 8c0505be17453f9c4ddd86b5bdf953e1 [0,0,0,0,0,0|4,0,0]=4 113 B11R0.148 C=C(C)CCNCCOCCC 38f2e6beb7d9f3f335cd6ec192d47d4f [0,0,0,0,0,0|4,0,0]=4 114 B11R0.148 C=C(C)CCNCOCCCC 5a2b25e6d30d6eafc145eea57137942d [0,0,0,0,0,0|4,0,0]=4 115 B11R0.148 C=C(C)CCOCCCCCC f3b42b02f97b5ae546a5d0ce100d5f9b [0,0,0,0,0,0|3,0,0]=3 116 B11R0.148 C=C(C)CCOCCCCCF 1cd7d278cca05628b6323907ef8139b0 [0,0,0,0,0,0|4,0,0]=4 117 B11R0.148 C=C(C)CCOCCCCOC 6c68902b59439ef02db1827c81ac86e5 [0,0,0,0,0,0|4,0,0]=4 118 B11R0.148 C=C(C)CCOCCCCSC f4cc9617da459842d98d117720309ec6 [0,0,0,0,0,0|4,0,0]=4 119 B11R0.148 C=C(C)CCOCCCOCC 61def538ce613515ea5ce21b11143c01 [0,0,0,0,0,0|4,0,0]=4 120 B11R0.148 C=C(C)CCOCCCSCC 7397b0b72e3a11c422be6f76310489fe [0,0,0,0,0,0|4,0,0]=4 121 B11R0.148 C=C(C)CCOCCOCCC cb715321bec56439eb639e3e8e48a990 [0,0,0,0,0,0|4,0,0]=4 122 B11R0.148 C=C(C)CCOCCSCCC 6071b176c37be307e50540c8a1de3d5a [0,0,0,0,0,0|4,0,0]=4 123 B11R0.148 C=C(C)CCOCOCCCC 42fd3e6ac5c48ab1e865d86cdea89fe7 [0,0,0,0,0,0|4,0,0]=4 124 B11R0.148 C=C(C)CNCCCCCCC b09be588b32545d66c354051c751378d [0,0,0,0,0,0|3,0,0]=3 125 B11R0.148 C=C(C)CNCCCCCCCl 2fdfdf8f4ed56f8465697d9b05e118f7 [0,0,0,0,0,0|4,0,0]=4 126 B11R0.148 C=C(C)CNCCCCCCF 17fed7ab7f2f7d912fa59394c63a539e [0,0,0,0,0,0|4,0,0]=4 127 B11R0.148 C=C(C)CNCCCCCCO e3371219b61ce074e30708f3fdbea6a0 [0,0,0,0,0,0|4,0,0]=4 128 B11R0.148 C=C(C)CNCCCCCOC 29952e825f42e6ab1f39f33dd8b42201 [0,0,0,0,0,0|4,0,0]=4 129 B11R0.148 C=C(C)CNCCCCSCC c180cc5b9c11b8eacd9459f3bc13ff91 [0,0,0,0,0,0|4,0,0]=4 130 B11R0.148 C=C(C)CNCCCOCCC cb469497c96d22c2eafd39e21892bf2c [0,0,0,0,0,0|4,0,0]=4 131 B11R0.148 C=C(C)CNCCOCCCC ae6ee3ea65b0e44b189ffe8a53dab9de [0,0,0,0,0,0|4,0,0]=4 132 B11R0.148 C=C(C)COCCCCCCC 6e86eb79eebc0414260368e904a927e1 [0,0,0,0,0,0|3,0,0]=3 133 B11R0.148 C=C(C)COCCCCCCF 380bb7bd21d3f8f1d87af05d88324047 [0,0,0,0,0,0|4,0,0]=4 134 B11R0.148 C=C(C)COCCCCCCS 3f0f1a29aec0b299137fee03b115444c [0,0,0,0,0,0|4,0,0]=4 135 B11R0.148 C=C(C)COCCCCCOC ed97d18a550e659e47226632b251e7bb [0,0,0,0,0,0|4,0,0]=4 136 B11R0.148 C=C(C)COCCCOCCC cf5cc5a18d508235c9f5414fa129b4cf [0,0,0,0,0,0|4,0,0]=4 137 B11R0.148 C=C(C)COCCOCCCC 01d4de70de3af1ba59b4d422fb0d6d4e [0,0,0,0,0,0|4,0,0]=4 138 B11R0.148 C=C(C)COCCSCCCC f1e3c253a1b49c4853ab945b5a2eb533 [0,0,0,0,0,0|4,0,0]=4 139 B11R0.148 C=C(Cl)CNCCCCCCC 7a0fa4242a58853f2d6992ce3c58e601 [0,0,0,0,0,0|3,0,0]=3 140 B11R0.148 C=C(Cl)CNCCCCCCCl 61feb98f66ac2233b7dbe368029cf8fc [0,0,0,0,0,0|4,0,0]=4 141 B11R0.148 C=C(Cl)CNCCCCCCO e1873548a3ea821262f4dc7b996b32e6 [0,0,0,0,0,0|4,0,0]=4 142 B11R0.148 C=C(Cl)CNCCCCCOC 7b32c802fb6aebc54517fcfe1f7af32e [0,0,0,0,0,0|4,0,0]=4 143 B11R0.148 C=C(Cl)CNCCCCSCC ed9aea2c3677a40ec3ecfd3f9d559aca [0,0,0,0,0,0|4,0,0]=4 144 B11R0.148 C=C(Cl)CNCCCOCCC ee506418a82e56d3ca9206031fb9e7ac [0,0,0,0,0,0|4,0,0]=4 145 B11R0.148 C=C(Cl)CNCCOCCCC 55dcad9320cc2e6e5d3def8253a0a808 [0,0,0,0,0,0|4,0,0]=4 146 B11R0.148 C=C(Cl)COCCCCCCC 2ebbdffeb133533b445815f4f9debd40 [0,0,0,0,0,0|3,0,0]=3 147 B11R0.148 C=C(Cl)COCCCCCCF 3f60018b58b2492fb8d02d7617bf401c [0,0,0,0,0,0|4,0,0]=4 148 B11R0.148 C=C(Cl)COCCCCCCS e364d5c276b3d5099f08cf99f4044bc8 [0,0,0,0,0,0|4,0,0]=4 149 B11R0.148 C=C(Cl)COCCCCCOC 9348980f60fe1952e59a44ab25d81097 [0,0,0,0,0,0|4,0,0]=4 150 B11R0.148 C=C(Cl)COCCCOCCC f9fb7048f348df1c6ebdd2a8c20a26b0 [0,0,0,0,0,0|4,0,0]=4 151 B11R0.148 C=C(Cl)COCCOCCCC d3802129f2aa4a7c4a07ecc549c689df [0,0,0,0,0,0|4,0,0]=4 152 B11R0.148 C=C(Cl)COCCSCCCC c0039600e0515969efffe0ab57d384a9 [0,0,0,0,0,0|4,0,0]=4 153 B11R0.148 C=C(F)CNCCCCCCC 33b7a963b6b3a4d0ec93076c10be1825 [0,0,0,0,0,0|3,0,0]=3 154 B11R0.148 C=C(F)CNCCCCCCCl cba2d70f8e7efae7289692837992988c [0,0,0,0,0,0|4,0,0]=4 155 B11R0.148 C=C(F)CNCCCCCCO 1517966bebfce2d4ef833734df2cf157 [0,0,0,0,0,0|4,0,0]=4 156 B11R0.148 C=C(F)CNCCCCSCC fe252a4a976dbc52907f913483694103 [0,0,0,0,0,0|4,0,0]=4 157 B11R0.148 C=C(F)CNCCCOCCC ccf6cff50b5651704c6f34097e0efa7f [0,0,0,0,0,0|4,0,0]=4 158 B11R0.148 C=C(F)COCCCCCCC 8f56dd536e780ef08f69e4d7538969de [0,0,0,0,0,0|3,0,0]=3 159 B11R0.148 C=C(F)COCCCCCCF 1ec7e689855b7e109c6fcafd469c4d85 [0,0,0,0,0,0|4,0,0]=4 160 B11R0.148 C=C(F)COCCCCCCS 4d307b356c81648c526669189cb577f9 [0,0,0,0,0,0|4,0,0]=4 161 B11R0.148 C=C(F)COCCCCCOC a37e231a29db0d75dba341bc28783e92 [0,0,0,0,0,0|4,0,0]=4 162 B11R0.148 C=C(F)COCCCOCCC 66754cd763307afb65a810f1993f3bb9 [0,0,0,0,0,0|4,0,0]=4 163 B11R0.148 C=C(F)COCCOCCCC a79aca5aa785e6d08dc93eb83407644e [0,0,0,0,0,0|4,0,0]=4 164 B11R0.148 C=C(I)COCCCCCCC 1f40c8fadf0ee0af29c66374f033ff62 [0,0,0,0,0,0|3,0,0]=3 165 B11R0.148 C=C(I)COCCCCCCF 2e5b78b5f45783514bf1fd8082732f3e [0,0,0,0,0,0|4,0,0]=4 166 B11R0.148 C=C(I)COCCCCCOC 8a182eab1313e088d37cb79a86db4f42 [0,0,0,0,0,0|4,0,0]=4 167 B11R0.148 C=C(I)COCCCOCCC 195775eb4b1996b81a9f4f06d32150be [0,0,0,0,0,0|4,0,0]=4 168 B11R0.148 C=C(I)COCCOCCCC d1f24edc5d923b085c18152641a8ce57 [0,0,0,0,0,0|4,0,0]=4 169 B11R0.148 C=C=CCCOCCCC(=O)O 5055d94570a6ab55c00286d941bfc0df [0,0,0,0,0,0|1,0,3]=4 170 B11R0.148 C=CCCCCCNCC(=O)C 9eebcfb67903aeb41ddbb31526bfb0e6 [0,0,0,0,0,0|2,0,2]=4 171 B11R0.148 C=CCCCCCNCC(=O)N 81686fb645172cfec5b92cfe07daecef [0,0,0,0,0,0|2,0,2]=4 172 B11R0.148 C=CCCCCCNCC(=O)O 7aa5ba1994425bccb2af733c34b3554f [0,0,0,0,0,0|1,0,2]=3 173 B11R0.148 C=CCCCCCOCC(=O)C 8b2e388462f74bcd1ee69d7c98e6ef2e [0,0,0,0,0,0|2,0,2]=4 174 B11R0.148 C=CCCCCCOCC(=O)N e1cbf2bf94edbcb2cf7e31a1e2b1e39b [0,0,0,0,0,0|2,0,2]=4 175 B11R0.148 C=CCCCCCOCC(=O)O aa84ff8d74f73c4fd8ca277dacee1a87 [0,0,0,0,0,0|1,0,2]=3 176 B11R0.148 C=CCCCCCOCS(=O)O 93fef0e11c468ebd19f4c3835c139246 [0,0,0,0,0,0|2,0,2]=4 177 B11R0.148 C=CCCCCNCCC(=O)C 41e3352f4bc375aa540b33871bc5c394 [0,0,0,0,0,0|2,0,2]=4 178 B11R0.148 C=CCCCCNCCC(=O)N c0fc4fd7e92a5e2788d70098b29063a9 [0,0,0,0,0,0|2,0,2]=4 179 B11R0.148 C=CCCCCNCCC(=O)O 5a2f9cbe75c0747b5a1ea894792d2069 [0,0,0,0,0,0|1,0,2]=3 180 B11R0.148 C=CCCCCNCCS(=O)O 28a2d192c2eb322804b26ac7cb5948ed [0,0,0,0,0,0|2,0,2]=4 181 B11R0.148 C=CCCCCOCCC(=O)C bcdd79d6b67b4a4decd3603bdc2453a0 [0,0,0,0,0,0|2,0,2]=4 182 B11R0.148 C=CCCCCOCCC(=O)N 63d391a6713496aad5a05f5ec55a3463 [0,0,0,0,0,0|2,0,2]=4 183 B11R0.148 C=CCCCCOCCC(=O)O a7a5b01680c43cf5e6bb94adfc9266aa [0,0,0,0,0,0|1,0,2]=3 184 B11R0.148 C=CCCCNCCCC(=O)C f525d35ea9dd7096b9ac5f984e254df9 [0,0,0,0,0,0|2,0,2]=4 185 B11R0.148 C=CCCCNCCCC(=O)N a85f7ee11f4c1ed21b336ff831637f12 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.148 C=CCCCNCCCC(=O)O c8121f9b969a048cf549e296df1a24b9 [0,0,0,0,0,0|1,0,2]=3 187 B11R0.148 C=CCCCOCCCC(=O)C 9e43869cd93b5b6adbf3fc06243b8acf [0,0,0,0,0,0|2,0,2]=4 188 B11R0.148 C=CCCCOCCCC(=O)N e5ebee136a264bbdf5495128c9b11aed [0,0,0,0,0,0|2,0,2]=4 189 B11R0.148 C=CCCCOCCCC(=O)O 96ed4fd134ee6879f6f6ab0ad6db26e3 [0,0,0,0,0,0|1,0,2]=3 190 B11R0.148 C=CCCNCCCCC(=O)C a17ad3270d7b9b7fac3cb4f52a222c99 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.148 C=CCCNCCCCC(=O)N 2eb5617bb522c8ea45651a137b8a4943 [0,0,0,0,0,0|2,0,2]=4 192 B11R0.148 C=CCCNCCCCC(=O)O 58a325a172c77f725900372e67e04633 [0,0,0,0,0,0|1,0,2]=3 193 B11R0.148 C=CCCNCCOCC(=O)O 4722d6788ad26cdf1bbc48220020bc8e [0,0,0,0,0,0|2,0,2]=4 194 B11R0.148 C=CCCNCCSCC(=O)O cd4316637d4a4b497e413e2155b4a3f6 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.148 C=CCCOCCCCC(=O)C 05ffe19f846de82006c5eee08e2996e5 [0,0,0,0,0,0|2,0,2]=4 196 B11R0.148 C=CCCOCCCCC(=O)N b7824d45cb4fb05ef28cd2c70812c4c1 [0,0,0,0,0,0|2,0,2]=4 197 B11R0.148 C=CCCOCCCCC(=O)O 490d834bae5ffeef13ea31917f780baf [0,0,0,0,0,0|1,0,2]=3 198 B11R0.148 C=CCCOCCOCC(=O)O c8021bdc03db984b7e788aa556881d06 [0,0,0,0,0,0|2,0,2]=4 199 B11R0.148 C=CCNCCCCCC(=O)N efdac570934c43a683894828052a8e03 [0,0,0,0,0,0|2,0,2]=4 200 B11R0.148 C=CCNCCCCCC(=O)O c630c8f69ff59f492c87c3d61ac465be [0,0,0,0,0,0|1,0,2]=3 201 B11R0.148 C=CCNCCOCCC(=O)O 2fd55b728e84b2f8d3ed934ec82c0b82 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.148 C=CCOCCCCCC(=O)N 435169c43c3c07b6f70c5c63c1ef2fa9 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.148 C=CCOCCCCCC(=O)O 44ac25b7127fbe958224eb7f2b32ac63 [0,0,0,0,0,0|1,0,2]=3 204 B11R0.148 C=CCOCCNCCC(=O)O 1ab64d6d1d5ca15817a42a804b14af2b [0,0,0,0,0,0|2,0,2]=4 205 B11R0.148 C=CCOCCOCCC(=O)O 7891583d44e90422511e4a7ea11fe3f5 [0,0,0,0,0,0|2,0,2]=4 206 B11R0.148 C=COCCCCOCC(=O)O 144f099953022520389f8000dbc7df42 [0,0,0,0,0,0|2,0,2]=4 207 B11R0.148 C=COCCCNCCC(=O)O d500b0e11ed72e2f403aa0ddfb57db2c [0,0,0,0,0,0|2,0,2]=4 208 B11R0.148 C=COCCNCCCC(=O)O 26e8d6a41f398210080b0de3798ba78f [0,0,0,0,0,0|2,0,2]=4 209 B11R0.148 C=COCCOCCCC(=O)O e9ab1554f4ab2a4ca16a44bb1135248b [0,0,0,0,0,0|2,0,2]=4 210 B11R0.148 CC#CCCCOCCC(=O)C a16b08654a60b37a314ffc39791df265 [0,0,0,0,0,0|2,0,2]=4 211 B11R0.148 CC#CCCCOCCC(=O)N 16d7df5bd6fe3115edb1da9f7a74b495 [0,0,0,0,0,0|2,0,2]=4 212 B11R0.148 CC#CCCCOCCC(=O)O fe53d8926d6dfaf47d665b485dbbf6da [0,0,0,0,0,0|1,0,2]=3 213 B11R0.148 CC#CCCOCCCC(=O)C 00e5df88f4496d095de010b96f840b5b [0,0,0,0,0,0|2,0,2]=4 214 B11R0.148 CC#CCCOCCCC(=O)N 4ea314fce07551c2cd02f3e4be752ace [0,0,0,0,0,0|2,0,2]=4 215 B11R0.148 CC#CCCOCCCC(=O)O e191b4ef5322f2ff046b4504647b78d6 [0,0,0,0,0,0|1,0,2]=3 216 B11R0.148 CC#CCNCCCCC(=O)C 330e9a6558ef75a4d365c599326c24d3 [0,0,0,0,0,0|2,0,2]=4 217 B11R0.148 CC#CCNCCOCC(=O)O 44c8d0a1508df075283d65f0849d6928 [0,0,0,0,0,0|2,0,2]=4 218 B11R0.148 CC#CCOCCCCC(=O)C e3bbe5e60de214bac384b9cd48db7ad5 [0,0,0,0,0,0|2,0,2]=4 219 B11R0.148 CC#CCOCCCCC(=O)N cf7fec2c42dc11f45122a97d57fd20a7 [0,0,0,0,0,0|2,0,2]=4 220 B11R0.148 CC#CCOCCOCC(=O)O 0ed2639996cd2c2981b1780730fc18f4 [0,0,0,0,0,0|2,0,2]=4 221 B11R0.148 CC(=O)CCCCCNCC#N 785e5e25390295926ee87a643166505f [0,0,0,0,0,0|3,0,1]=4 222 B11R0.148 CC(=O)CCCCCNCCBr 2814ea2073b8c89939c64a8e09a7e233 [0,0,0,0,0,0|3,0,0]=3 223 B11R0.148 CC(=O)CCCCCNCCF 265cbbf874da51a095cb484ec0438d5a [0,0,0,0,0,0|3,0,0]=3 224 B11R0.148 CC(=O)CCCCCNCCI 249e58dc239dab6a72796538d51ba9e8 [0,0,0,0,0,0|3,0,0]=3 225 B11R0.148 CC(=O)CCCCCNCCO 3e8a33401594d0af1994ed5e283e0ea1 [0,0,0,0,0,0|3,0,0]=3 226 B11R0.148 CC(=O)CCCCCNCCS 4b42acf5020fe410d7a756528278b61a [0,0,0,0,0,0|3,0,0]=3 227 B11R0.148 CC(=O)CCCCCOCC#N 697be21066f12f340cb580c950c34f93 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.148 CC(=O)CCCCCOCCF acfcd3da13be6392ab1838f8edfa9eaf [0,0,0,0,0,0|3,0,0]=3 229 B11R0.148 CC(=O)CCCCCOCCS ae67aed9b0d9b06fefa17b6ef4dcaef7 [0,0,0,0,0,0|3,0,0]=3 230 B11R0.148 CC(=O)CCCCNCCC#N d7696c84ff37feed3520e34d4b93889d [0,0,0,0,0,0|3,0,1]=4 231 B11R0.148 CC(=O)CCCCNCCCCl 7c7b146c40c0acfb48aadb4e09bd4ce6 [0,0,0,0,0,0|3,0,0]=3 232 B11R0.148 CC(=O)CCCCNCCCO 5a85a5734691c87d84615e5d2effcf14 [0,0,0,0,0,0|3,0,0]=3 233 B11R0.148 CC(=O)CCCCNCCON d48a84c134d75e2d12afc3071c68f611 [0,0,0,0,0,0|4,0,0]=4 234 B11R0.148 CC(=O)CCCCOCCC#N ab52fd270045702a1453d24875fb43d3 [0,0,0,0,0,0|3,0,1]=4 235 B11R0.148 CC(=O)CCCCOCCC=O a1d5774d5e7ba3e60d7a5ab36f55d5ed [0,0,0,0,0,0|3,0,1]=4 236 B11R0.148 CC(=O)CCCCOCCCF a5a3ce24067ae081ca443bc54de8acf1 [0,0,0,0,0,0|3,0,0]=3 237 B11R0.148 CC(=O)CCCCOCCCS a7c6975baa6fe8aa2c12bfb3cf806d65 [0,0,0,0,0,0|3,0,0]=3 238 B11R0.148 CC(=O)CCCNCCCC#N bcace2da3b811c2a71d28a4d70f7fa68 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.148 CC(=O)CCCNCCCCCl 1c197c6bb43dcf367a806b907cd1775a [0,0,0,0,0,0|3,0,0]=3 240 B11R0.148 CC(=O)CCCNCCCCO 50b6d540f864c9eb03851c0461d95814 [0,0,0,0,0,0|3,0,0]=3 241 B11R0.148 CC(=O)CCCNCCCCS 3984288bc637b2b6153052a7460caacb [0,0,0,0,0,0|3,0,0]=3 242 B11R0.148 CC(=O)CCCOCCCC#N 76f0e519c1863db8f27f5b1697408c8d [0,0,0,0,0,0|3,0,1]=4 243 B11R0.148 CC(=O)CCCOCCCC=O 6f7237a805ac819f2bc0b5e3560c3209 [0,0,0,0,0,0|3,0,1]=4 244 B11R0.148 CC(=O)CCCOCCCCF 5c7c199705317ad51fae8cb22f6ec3e8 [0,0,0,0,0,0|3,0,0]=3 245 B11R0.148 CC(=O)CCCOCCCCS 3689bb9ac1af1c3856b69e96e09668af [0,0,0,0,0,0|3,0,0]=3 246 B11R0.148 CC(=O)CCNCCCCC#N ec47fa0191b7763aadcab55a1967dd71 [0,0,0,0,0,0|3,0,1]=4 247 B11R0.148 CC(=O)CCNCCCCCCl 55a8ea3d98c3c99a6dc9bb6e45f49262 [0,0,0,0,0,0|3,0,0]=3 248 B11R0.148 CC(=O)CCNCCCCCO 3e39b9d8eb28be289794d5a85c7d3904 [0,0,0,0,0,0|3,0,0]=3 249 B11R0.148 CC(=O)CCNCCOCCO 2f29f579aff1476a34479cff49a2086e [0,0,0,0,0,0|4,0,0]=4 250 B11R0.148 CC(=O)CCNCCOCCS e673aea06d030cfbb0117753343a3c0c [0,0,0,0,0,0|4,0,0]=4 251 B11R0.148 CC(=O)CCNCCSCCO b2dec0b24cdd84882e6f3e8b9d47cb2b [0,0,0,0,0,0|4,0,0]=4 252 B11R0.148 CC(=O)CCOCCCCC#N e81867cf766549649cfe4742e836b071 [0,0,0,0,0,0|3,0,1]=4 253 B11R0.148 CC(=O)CCOCCCCC=O f319f2a7b0adea4b6f8c0fb2de01c220 [0,0,0,0,0,0|3,0,1]=4 254 B11R0.148 CC(=O)CCOCCCCCF 6bb0a71e61b30b8b2e877852ef4f0b17 [0,0,0,0,0,0|3,0,0]=3 255 B11R0.148 CC(=O)CCOCCOCCF ab34abce94df03811e4007fc009d5e35 [0,0,0,0,0,0|4,0,0]=4 256 B11R0.148 CC(=O)CCOCCOCCS bbdaa234f223187e14df1f2faf250639 [0,0,0,0,0,0|4,0,0]=4 257 B11R0.148 CC(=O)CNCCCCCC#N 3584b8d1a32b138638b1f0154f68d2e9 [0,0,0,0,0,0|3,0,1]=4 258 B11R0.148 CC(=O)CNCCCCCC=O dc1d1e49e88a07c8e8480ea556a29f03 [0,0,0,0,0,0|3,0,1]=4 259 B11R0.148 CC(=O)CNCCCCCCF e5220e4b1eb66b48d5fb2be647d0f093 [0,0,0,0,0,0|3,0,0]=3 260 B11R0.148 CC(=O)CNCCCCCCO 5ae8b5dcf45a271724ef32cc715e5de7 [0,0,0,0,0,0|3,0,0]=3 261 B11R0.148 CC(=O)COCCCCCC#N bdfe93c8e754bc393d6bf6add8339888 [0,0,0,0,0,0|3,0,1]=4 262 B11R0.148 CC(=O)COCCCCCC=O e86395281f8562d92fc2f29edfd19a69 [0,0,0,0,0,0|3,0,1]=4 263 B11R0.148 CC(=O)COCCCCCCF f9ddf83656d1768dec73eb1308c462ef [0,0,0,0,0,0|3,0,0]=3 264 B11R0.148 CC(=O)NCCCCCCCO 375247c5b76fff4f96757dfebee6b6e0 [0,0,0,0,0,0|3,0,0]=3 265 B11R0.148 CC(=O)NCCCCCNCF 0ec7e44245d413f6dacb23155973a48a [0,0,0,0,0,0|4,0,0]=4 266 B11R0.148 CC(=O)NCCCCCNCO d0cda07e70ce0100ba72433da11fe9b4 [0,0,0,0,0,0|4,0,0]=4 267 B11R0.148 CC(=O)NCCCCNCCF da645564f958e1b80ae5223968589e71 [0,0,0,0,0,0|4,0,0]=4 268 B11R0.148 CC(=O)NCCCCNCCO b0133e0c062b2792effc5e470b77362d [0,0,0,0,0,0|4,0,0]=4 269 B11R0.148 CC(=O)NCCCCNCCS 0993836b41f915bdee741aeb7d437565 [0,0,0,0,0,0|4,0,0]=4 270 B11R0.148 CC(=O)NCCCCSCCO 338f4652809523a6ff055f93a9dd4f45 [0,0,0,0,0,0|4,0,0]=4 271 B11R0.148 CC(=O)NCCCNCCCCl 437663a1115ebe9583cd9126d211a763 [0,0,0,0,0,0|4,0,0]=4 272 B11R0.148 CC(=O)NCCCNCCCF b49e7043069cd0c5afc47258cc5f4db9 [0,0,0,0,0,0|4,0,0]=4 273 B11R0.148 CC(=O)NCCCNCCCO 87ec8c24f06caf7b3922020e72f322c5 [0,0,0,0,0,0|4,0,0]=4 274 B11R0.148 CC(=O)NCCCNCCCS 7e1695ce8464d960488acdf38ef681f5 [0,0,0,0,0,0|4,0,0]=4 275 B11R0.148 CC(=O)NCCCOCCCF 278d1b65ea6e62b561955d314d2d3131 [0,0,0,0,0,0|4,0,0]=4 276 B11R0.148 CC(=O)NCCCOCCCO a632547a27b42b4b71b8987091d3d020 [0,0,0,0,0,0|4,0,0]=4 277 B11R0.148 CC(=O)NCCCOCCCS dde76a5453ba702c453d51f5439d0005 [0,0,0,0,0,0|4,0,0]=4 278 B11R0.148 CC(=O)NCCNCCCCCl 6e009b572ec767f7a62166483fe80455 [0,0,0,0,0,0|4,0,0]=4 279 B11R0.148 CC(=O)NCCNCCCCF 0725af3ca6010997bd7724510ca7c831 [0,0,0,0,0,0|4,0,0]=4 280 B11R0.148 CC(=O)NCCNCCCCO e4ea7d954a76e84ddd5e6b0fab30da79 [0,0,0,0,0,0|4,0,0]=4 281 B11R0.148 CC(=O)NCCNCCCCS 042ff32b134c527f9da62c6bb80ebd8c [0,0,0,0,0,0|4,0,0]=4 282 B11R0.148 CC(=O)NCCOCCCCF aca675fef24c0464e8f3fb4ca64fc764 [0,0,0,0,0,0|4,0,0]=4 283 B11R0.148 CC(=O)NCCOCCCCS 89b244d09e75bf13d0a9cfbce7bb2aa8 [0,0,0,0,0,0|4,0,0]=4 284 B11R0.148 CC(=O)NCOCCCCCF 7262ab8b0e74ab16d468d7f82284020a [0,0,0,0,0,0|4,0,0]=4 285 B11R0.148 CC(=O)OCCCCNCCBr 09ecad89b3ee7e9b52becf6f3558f5e0 [0,0,0,0,0,0|4,0,0]=4 286 B11R0.148 CC(=O)OCCCCNCCF 720a832f528ce9b76fe335a3528ab59e [0,0,0,0,0,0|4,0,0]=4 287 B11R0.148 CC(=O)OCCCCNCCI 3fe30103928ab81df76904d92cfc7a88 [0,0,0,0,0,0|4,0,0]=4 288 B11R0.148 CC(=O)OCCCCNCCO 5e2d05966d6b72b664f7b20dcf7730a5 [0,0,0,0,0,0|4,0,0]=4 289 B11R0.148 CC(=O)OCCCCNCCS 88dac4c7b5e146ef8383ce0b84d6fe6b [0,0,0,0,0,0|4,0,0]=4 290 B11R0.148 CC(=O)OCCCCOCCF e44643877ae1063c27732acf35cca04d [0,0,0,0,0,0|4,0,0]=4 291 B11R0.148 CC(=O)OCCCCOCCS 76172059d939ddae2a1cd0ccd1e276b8 [0,0,0,0,0,0|4,0,0]=4 292 B11R0.148 CC(=O)OCCCNCCCCl 82f0c3756008316a59064f1bdd603a39 [0,0,0,0,0,0|4,0,0]=4 293 B11R0.148 CC(=O)OCCCNCCCO 60ccf7979710a2e215855f8fad0f2eba [0,0,0,0,0,0|4,0,0]=4 294 B11R0.148 CC(=O)OCCCOCCCF 8b1cd558e148cc295d3e8a96e20fa55c [0,0,0,0,0,0|4,0,0]=4 295 B11R0.148 CC(=O)OCCCOCCCS 5f956e72e2397816126bfa86c31c25fd [0,0,0,0,0,0|4,0,0]=4 296 B11R0.148 CC(=O)OCCNCCCCCl c30188f535cc352103ea10ad816eb132 [0,0,0,0,0,0|4,0,0]=4 297 B11R0.148 CC(=O)OCCNCCCCO 17f1b8ddeeabe6d9ca5ff0692efb74f0 [0,0,0,0,0,0|4,0,0]=4 298 B11R0.148 CC(=O)OCCNCCCCS b7bb94f35a71ccfd1e46a4669e5a5974 [0,0,0,0,0,0|4,0,0]=4 299 B11R0.148 CC(=O)OCCOCCCCF bff1e3b045526225b899ac06b3cb1662 [0,0,0,0,0,0|4,0,0]=4 300 B11R0.148 CC(=O)OCCOCCCCS 320d405252d1a1516c5714b451a24110 [0,0,0,0,0,0|4,0,0]=4 301 B11R0.148 CC(=O)OCNCCCCCCl efa8e7f23390c387b5ce891373700032 [0,0,0,0,0,0|4,0,0]=4 302 B11R0.148 CC(=O)OCNCCCCCO 9521e7f1f1ece246870caf29c7064408 [0,0,0,0,0,0|4,0,0]=4 303 B11R0.148 CC(=O)SCCCCNCCBr a6e15848763adc7fe34ac4c66ea44097 [0,0,0,0,0,0|4,0,0]=4 304 B11R0.148 CC(=O)SCCCCNCCF c42a5e70d57437d5e637fadaf4145f84 [0,0,0,0,0,0|4,0,0]=4 305 B11R0.148 CC(=O)SCCCCNCCI ef0ca8f69cbbf70eef9500252f15e4cd [0,0,0,0,0,0|4,0,0]=4 306 B11R0.148 CC(=O)SCCCCNCCO c071184e831dfca58b9806ee4b93b3be [0,0,0,0,0,0|4,0,0]=4 307 B11R0.148 CC(=O)SCCCCNCCS d44d9e2425df6321cde325a8ccb51b8f [0,0,0,0,0,0|4,0,0]=4 308 B11R0.148 CC(=O)SCCCCOCCF 91291fc3f7b4312156d6bb150e55e040 [0,0,0,0,0,0|4,0,0]=4 309 B11R0.148 CC(=O)SCCCCOCCS a4d431d8fd0003184bd3f00b9da1e465 [0,0,0,0,0,0|4,0,0]=4 310 B11R0.148 CC(=O)SCCCNCCCCl a23bfa15b7083ca8fb82b13d5213a98f [0,0,0,0,0,0|4,0,0]=4 311 B11R0.148 CC(=O)SCCCNCCCO cee2e2202c3cdc3625b54956e1acc9a6 [0,0,0,0,0,0|4,0,0]=4 312 B11R0.148 CC(=O)SCCCOCCCF 0144d578cbf1f108c724d5de5c55c273 [0,0,0,0,0,0|4,0,0]=4 313 B11R0.148 CC(=O)SCCCOCCCS e37fe0def850dcd6f513ea65295ce5aa [0,0,0,0,0,0|4,0,0]=4 314 B11R0.148 CC(=O)SCCNCCCCCl 9e064f8fa85476a6895fd9e531e1a2f6 [0,0,0,0,0,0|4,0,0]=4 315 B11R0.148 CC(=O)SCCNCCCCO 85991f8a0835a90e66205ae00a2e051e [0,0,0,0,0,0|4,0,0]=4 316 B11R0.148 CC(=O)SCCNCCCCS 36f0e4a8ebfde99ca65d36d639ab1064 [0,0,0,0,0,0|4,0,0]=4 317 B11R0.148 CC(=O)SCCOCCCCF 1c1a2a12383ed3dcd84c40e96ec17111 [0,0,0,0,0,0|4,0,0]=4 318 B11R0.148 CC(=O)SCCOCCCCS f297d7f31e4cc35c65649881a1221170 [0,0,0,0,0,0|4,0,0]=4 319 B11R0.148 CC(O)CCCCNCCCCl 82e45c1ce88e44235d045bdc773fc20d [0,0,0,0,0,0|3,0,1]=4 320 B11R0.148 CC(O)CCCCNCCCO c21e68376b74a4270591e394eb58b490 [0,0,0,0,0,0|3,0,1]=4 321 B11R0.148 CC(O)CCCNCCCCCl 0025e61905595b4183c78484c6ac6353 [0,0,0,0,0,0|3,0,1]=4 322 B11R0.148 CC(O)CCCNCCCCO 3793e3cf16ce7d82568c302cad84803a [0,0,0,0,0,0|3,0,1]=4 323 B11R0.148 CC(O)CCCNCCCCS 5e9fef9fba36d0d44964e7a251c656af [0,0,0,0,0,0|3,0,1]=4 324 B11R0.148 CC(O)CCNCCCCCCl af5b3f409236dd9461c4e9723383c715 [0,0,0,0,0,0|3,0,1]=4 325 B11R0.148 CC(O)CCNCCCCCF c0f7e3239303be23f708ac5238b7ee17 [0,0,0,0,0,0|3,0,1]=4 326 B11R0.148 CC(O)CCNCCCCCO b1137dcf863a1f0f413c1d6c91a9e0b1 [0,0,0,0,0,0|3,0,1]=4 327 B11R0.148 CC(O)CNCCCCCCCl ab3a2559e3a1c323e11a57f0e5845650 [0,0,0,0,0,0|3,0,1]=4 328 B11R0.148 CC(O)CNCCCCCCF 204b7a8ba6869b1a7efa6b88d525a835 [0,0,0,0,0,0|3,0,1]=4 329 B11R0.148 CC(O)CNCCCCCCO 36eca31e338ce79c2fd6b65828843992 [0,0,0,0,0,0|3,0,1]=4 330 B11R0.148 CC/C=C/CCOCCC(=O)C c4bfcc2faa6b266f64a44f7a2cea6d9f [0,0,0,0,0,0|2,0,2]=4 331 B11R0.148 CC/C=C/CCOCCC(=O)N 6a0ac15e817e5f9546c32ba58e961b9b [0,0,0,0,0,0|2,0,2]=4 332 B11R0.148 CC/C=C/CCOCCC(=O)O bae755ef0769503a1f140d4a8b7bd568 [0,0,0,0,0,0|1,0,2]=3 333 B11R0.148 CC/C=C/CNCCCC(=O)N ff59a849e23aa06409c1a0357a621bea [0,0,0,0,0,0|2,0,2]=4 334 B11R0.148 CC/C=C/CNCCCC(=O)O a065d04028750dbc186b5c46e11673c4 [0,0,0,0,0,0|1,0,2]=3 335 B11R0.148 CC/C=C/COCCCC(=O)C 54c87300b48f9bbe4f4fbe6ed5ac470f [0,0,0,0,0,0|2,0,2]=4 336 B11R0.148 CC/C=C/COCCCC(=O)N 83e95426496b715f94d5aa8331da551e [0,0,0,0,0,0|2,0,2]=4 337 B11R0.148 CC/C=C/COCCCC(=O)O 48db06f199b539c0b7eb28feafd2d5a9 [0,0,0,0,0,0|1,0,2]=3 338 B11R0.148 CC/C=C\CCCOCC(=O)N 8515cdfb735b5d2c4188e4256a1d1206 [0,0,0,0,0,0|2,0,2]=4 339 B11R0.148 CC/C=C\CCCOCC(=O)O 418107702edcb4b692b364a486645041 [0,0,0,0,0,0|1,0,2]=3 340 B11R0.148 CC/C=C\CCNCCC(=O)N d0470707249ae306d9adb52b83f5d057 [0,0,0,0,0,0|2,0,2]=4 341 B11R0.148 CC/C=C\CCNCCC(=O)O 6e7500a6b7562c91ec496e43ffda8475 [0,0,0,0,0,0|1,0,2]=3 342 B11R0.148 CC/C=C\CCNCCS(=O)O fd11df80911260f1a7cb2d628391b3dd [0,0,0,0,0,0|2,0,2]=4 343 B11R0.148 CC/C=C\CCOCCC(=O)C 28eb2f180b3260523b6c71f60031cd53 [0,0,0,0,0,0|2,0,2]=4 344 B11R0.148 CC/C=C\CCOCCC(=O)N 86ac7714f0c376020cc1ee0fadf60ec8 [0,0,0,0,0,0|2,0,2]=4 345 B11R0.148 CC/C=C\CCOCCC(=O)O abf88814f16276990998bc2a8f870be2 [0,0,0,0,0,0|1,0,2]=3 346 B11R0.148 CC/C=C\COCCCC(=O)C 77743bb831eabbbe77d42982616b49d5 [0,0,0,0,0,0|2,0,2]=4 347 B11R0.148 CC/C=C\COCCCC(=O)N 0462ae3592260c918f6deaa9754b6574 [0,0,0,0,0,0|2,0,2]=4 348 B11R0.148 CC/C=C\COCCCC(=O)O 8ed7618cb12f9a8aeea2647a23d81d61 [0,0,0,0,0,0|1,0,2]=3 349 B11R0.148 CC=C=CCCOCCC(=O)O ebd277a8b4404033eb4cf443092b6ad2 [0,0,0,0,0,0|1,0,3]=4 350 B11R0.148 CC=CCCCOCCC(=O)C 50bcf156e2369b18b56816d1805153d2 [0,0,0,0,0,0|2,0,2]=4 351 B11R0.148 CC=CCCCOCCC(=O)N caf128d8bb004c19da32286310e643da [0,0,0,0,0,0|2,0,2]=4 352 B11R0.148 CC=CCCCOCCC(=O)O f6f86ced1362c071849b97938ba5204e [0,0,0,0,0,0|1,0,2]=3 353 B11R0.148 CC=CCNCCCCC(=O)C 296a94e0be62cf093cb8964898119659 [0,0,0,0,0,0|2,0,2]=4 354 B11R0.148 CC=CCNCCCCC(=O)N fbd97eba57b03ffb9b26e91b0ae74ec9 [0,0,0,0,0,0|2,0,2]=4 355 B11R0.148 CC=CCNCCCCC(=O)O 48c56966ac4fb3c49c47586f8b97c510 [0,0,0,0,0,0|1,0,2]=3 356 B11R0.148 CC=CCNCCOCC(=O)O 48d69bff85cccf228060e0dba0fb6ec5 [0,0,0,0,0,0|2,0,2]=4 357 B11R0.148 CC=CCOCCCCC(=O)C 5c6450f66cf65929f42847c908ea9f53 [0,0,0,0,0,0|2,0,2]=4 358 B11R0.148 CC=CCOCCCCC(=O)N 64d2f9917c4752e9ddaed48a6c8b5a55 [0,0,0,0,0,0|2,0,2]=4 359 B11R0.148 CC=CCOCCCCC(=O)O 4f0d283fec8fd62f3e86f4402baea19f [0,0,0,0,0,0|1,0,2]=3 360 B11R0.148 CC=CCOCCOCC(=O)O e9071827c2b5fa6a2d2620fce082791a [0,0,0,0,0,0|2,0,2]=4 361 B11R0.148 CCC#CCCOCCC(=O)C 134beb0fd0e90bb7b991b9c0969328dc [0,0,0,0,0,0|2,0,2]=4 362 B11R0.148 CCC#CCCOCCC(=O)N c15063044c38c4231d8c7b6d51019af2 [0,0,0,0,0,0|2,0,2]=4 363 B11R0.148 CCC#CCCOCCC(=O)O 407c730437e157643f73fe52113450cd [0,0,0,0,0,0|1,0,2]=3 364 B11R0.148 CCC#CCOCCCC(=O)C 5308ec2d6b8156346b47089d93b2d77b [0,0,0,0,0,0|2,0,2]=4 365 B11R0.148 CCC#CCOCCCC(=O)N ea471da0c8bebced02a6ddad56350764 [0,0,0,0,0,0|2,0,2]=4 366 B11R0.148 CCC/C=C/CNCCC(=O)N c7b89184b22316ba4f0fdeab4850d01e [0,0,0,0,0,0|2,0,2]=4 367 B11R0.148 CCC/C=C/CNCCC(=O)O 7acc138c125caa3483073b72aeead0f0 [0,0,0,0,0,0|1,0,2]=3 368 B11R0.148 CCC/C=C/CNCCS(=O)O ccf38e31fa05541a902dbf9c5149391a [0,0,0,0,0,0|2,0,2]=4 369 B11R0.148 CCC/C=C/COCCC(=O)C 730a817159c6259737b15b14c6084f30 [0,0,0,0,0,0|2,0,2]=4 370 B11R0.148 CCC/C=C/COCCC(=O)N 43dc066ea5ea8c6cc25cdc9a9b9eb151 [0,0,0,0,0,0|2,0,2]=4 371 B11R0.148 CCC/C=C/COCCC(=O)O cdf8832bd16061f61af39f147d58392b [0,0,0,0,0,0|1,0,2]=3 372 B11R0.148 CCC/C=C\CCOCC(=O)N ad1c5724831eb1acfcf7d7236050dc8d [0,0,0,0,0,0|2,0,2]=4 373 B11R0.148 CCC/C=C\CCOCC(=O)O 7386dcb400fa9a5d7fe9159de9a0f603 [0,0,0,0,0,0|1,0,2]=3 374 B11R0.148 CCC/C=C\CNCCC(=O)N da20a1389bb8489a6e4ed0f3090aeb5e [0,0,0,0,0,0|2,0,2]=4 375 B11R0.148 CCC/C=C\CNCCC(=O)O d78dd3b6a65f39ab0590893e69ffddaa [0,0,0,0,0,0|1,0,2]=3 376 B11R0.148 CCC/C=C\CNCCS(=O)O accee1e154e194c508619ee04568b48e [0,0,0,0,0,0|2,0,2]=4 377 B11R0.148 CCC/C=C\COCCC(=O)C c68bb835449bc16f8fbfaf4651567962 [0,0,0,0,0,0|2,0,2]=4 378 B11R0.148 CCC/C=C\COCCC(=O)N c8e155fa13567038ce21e33c5f8ce1b0 [0,0,0,0,0,0|2,0,2]=4 379 B11R0.148 CCC/C=C\COCCC(=O)O 85e1aafea97e07217acb9c5d7dc9ef11 [0,0,0,0,0,0|1,0,2]=3 380 B11R0.148 CCCC#CCCOCC(=O)N 65bbb47c6b2351e6d00563ddcc4b0278 [0,0,0,0,0,0|2,0,2]=4 381 B11R0.148 CCCC#CCCOCC(=O)O af630c364e3283e8eae6d25efda2d4ca [0,0,0,0,0,0|1,0,2]=3 382 B11R0.148 CCCC#CCOCCC(=O)C 94acf0dc8f087b21a6c41b379fa399c8 [0,0,0,0,0,0|2,0,2]=4 383 B11R0.148 CCCC#CCOCCC(=O)N 3190814dd927f5adae92dfeed69a33ff [0,0,0,0,0,0|2,0,2]=4 384 B11R0.148 CCCC#CCOCCC(=O)O aa4d0939892cbb459b635c3f643f0209 [0,0,0,0,0,0|1,0,2]=3 385 B11R0.148 CCCC/C=C/CNCC(=O)C 859f00af162c1c43a5c50ae06d8f1492 [0,0,0,0,0,0|2,0,2]=4 386 B11R0.148 CCCC/C=C/CNCC(=O)N fbdd3b848c11a1a1f41244283993b680 [0,0,0,0,0,0|2,0,2]=4 387 B11R0.148 CCCC/C=C/CNCC(=O)O b3eb0975e1d9d666b5c697b95659a159 [0,0,0,0,0,0|1,0,2]=3 388 B11R0.148 CCCC/C=C/COCC(=O)C 5aef7b1a2e1e69c6e7289676342831ed [0,0,0,0,0,0|2,0,2]=4 389 B11R0.148 CCCC/C=C/COCC(=O)N 2028737323acd54e3ffde5ba9e0e35c0 [0,0,0,0,0,0|2,0,2]=4 390 B11R0.148 CCCC/C=C/COCC(=O)O 077a70f521a7f93e5a874728d5fa9c34 [0,0,0,0,0,0|1,0,2]=3 391 B11R0.148 CCCC/C=C/COCS(=O)O fde751636257aefbf4f95fd40edbf54a [0,0,0,0,0,0|2,0,2]=4 392 B11R0.148 CCCC/C=C\CNCC(=O)C 7498599996a57be5a58df94acd270bd3 [0,0,0,0,0,0|2,0,2]=4 393 B11R0.148 CCCC/C=C\CNCC(=O)N 4fcb4fea1e7d49a1c3bda58caff06eeb [0,0,0,0,0,0|2,0,2]=4 394 B11R0.148 CCCC/C=C\CNCC(=O)O 3ba6f769e98348afa2826db146631e9b [0,0,0,0,0,0|1,0,2]=3 395 B11R0.148 CCCC/C=C\COCC(=O)C de0b261daf2e50eeb64342772c9392e1 [0,0,0,0,0,0|2,0,2]=4 396 B11R0.148 CCCC/C=C\COCC(=O)N 21249ac39354787b34e8d1ccda352180 [0,0,0,0,0,0|2,0,2]=4 397 B11R0.148 CCCC/C=C\COCC(=O)O 110cbe91fd6acad57de2c910e1b1e5f6 [0,0,0,0,0,0|1,0,2]=3 398 B11R0.148 CCCC/C=C\COCS(=O)O ded3d1d2273873e720f68d12cc46aa46 [0,0,0,0,0,0|2,0,2]=4 399 B11R0.148 CCCCC#CCOCC(=O)N 82363db81f32aa164a0b5acf229fdba0 [0,0,0,0,0,0|2,0,2]=4 400 B11R0.148 CCCCCCCCNC(=O)C 9209ef01a8d3ac54b45708fef3a289cf [0,0,0,0,0,0|2,0,0]=2 401 B11R0.148 CCCCCCCCNC(C)C f8be70ea57d82353a700029658149a3c [0,0,0,0,0,0|3,0,1]=4 402 B11R0.148 CCCCCCCCOC(C)C 9ea4ce62ae8de285c4f7fbe1b0cab410 [0,0,0,0,0,0|3,0,1]=4 403 B11R0.148 CCCCCCCNCC(=O)C ac5ad78030b2337dde4637cf4e637be8 [0,0,0,0,0,0|2,0,0]=2 404 B11R0.148 CCCCCCCNCC(=O)N 2fdb0dfccf9f802c713cfdaa07ea8b3d [0,0,0,0,0,0|2,0,0]=2 405 B11R0.148 CCCCCCCNCC(=O)O 604ac707776db9c80f9dbe81aba07aab [0,0,0,0,0,0|1,0,0]=1 406 B11R0.148 CCCCCCCNCC(C)C a6f5f3319ec648228042e08d701693df [0,0,0,0,0,0|3,0,1]=4 407 B11R0.148 CCCCCCCNCC(C)O 4ec41632ad94b262d50d201b12eea63c [0,0,0,0,0,0|2,0,1]=3 408 B11R0.148 CCCCCCCNCC(F)F 98a23d5ff913760df8927fe1c2637ed0 [0,0,0,0,0,0|3,0,1]=4 409 B11R0.148 CCCCCCCNCN(C)C c7da38a67066758badf6ec7b2263b114 [0,0,0,0,0,0|4,0,0]=4 410 B11R0.148 CCCCCCCNC[C@@H](C)O 2f370e1df4cf53b1cc448becf8319123 [0,0,0,0,0,0|2,0,1]=3 411 B11R0.148 CCCCCCCNC[C@H](C)O ffa725a82af0b73a341a438150dba913 [0,0,0,0,0,0|2,0,1]=3 412 B11R0.148 CCCCCCCNC[N+](=O)[O-] c0679a4f548ff0671049820f57ae631f [0,0,0,0,0,0|2,0,1]=3 413 B11R0.148 CCCCCCCOCC(=O)C dc592c317774d5dcca7353cd0379c413 [0,0,0,0,0,0|2,0,0]=2 414 B11R0.148 CCCCCCCOCC(=O)N e5e33b5f144e3b12955641244340651b [0,0,0,0,0,0|2,0,0]=2 415 B11R0.148 CCCCCCCOCC(=O)O 2e9c1bc97c278d8f4eec0fc057b4f886 [0,0,0,0,0,0|1,0,0]=1 416 B11R0.148 CCCCCCCOCC(=S)N ea69c6884831d0bc2d9a37abf4288eb5 [0,0,0,0,0,0|2,1,0]=3 417 B11R0.148 CCCCCCCOCC(C)C ad3ae6978b7cab5e4f36953662c27905 [0,0,0,0,0,0|3,0,1]=4 418 B11R0.148 CCCCCCCOCC(C)F 33a0b8718e62e417560f50061beac913 [0,0,0,0,0,0|3,0,1]=4 419 B11R0.148 CCCCCCCOCC(C)S 334a25565096fb2521cc4f67349f8197 [0,0,0,0,0,0|2,1,1]=4 420 B11R0.148 CCCCCCCOCC(F)F f4aeee014af9241eeaa3faa59643b9b3 [0,0,0,0,0,0|3,0,1]=4 421 B11R0.148 CCCCCCCOCN(C)C f6b916735482abc78d11dccfc9c6846d [0,0,0,0,0,0|4,0,0]=4 422 B11R0.148 CCCCCCCOCS(=O)O a9e9ed12c8e5ec5a425575bf0efe96a6 [0,0,0,0,0,0|2,0,0]=2 423 B11R0.148 CCCCCCCOC[C@@H](C)F f33eaea45680a42f69cd64fc91fbe87f [0,0,0,0,0,0|3,0,1]=4 424 B11R0.148 CCCCCCCOC[C@H](C)F ac3873facc4a14eeb0ce41b7cc7d7a71 [0,0,0,0,0,0|3,0,1]=4 425 B11R0.148 CCCCCCCOC[N+](=O)[O-] 3f9cbc61a4053c393efda689f3dc606a [0,0,0,0,0,0|2,0,1]=3 426 B11R0.148 CCCCCCNC/C=C(/C)\I de46a617e926fa7265c7ea6a0d6454b4 [0,0,0,0,0,0|3,0,1]=4 427 B11R0.148 CCCCCCNC/C=C(\C)/Cl 5e1e5f5c0eae22e6ce2fa87264437d45 [0,0,0,0,0,0|3,0,1]=4 428 B11R0.148 CCCCCCNCC=C(C)C 268cde1eac403971a29775244b20f6fb [0,0,0,0,0,0|3,0,1]=4 429 B11R0.148 CCCCCCNCC=C(C)Cl 9b26f9313727dabf75856a169d7d9509 [0,0,0,0,0,0|3,0,1]=4 430 B11R0.148 CCCCCCNCC=C(C)I 4649296a1e9af8c45e014cea46a02b0d [0,0,0,0,0,0|3,0,1]=4 431 B11R0.148 CCCCCCNCC=C(Cl)Cl d5e07fcc4c50d4d3f1ace6ae7b997120 [0,0,0,0,0,0|3,0,1]=4 432 B11R0.148 CCCCCCNCCC(=O)C dae7d5a91b1ed61fc00f967bfae50950 [0,0,0,0,0,0|2,0,0]=2 433 B11R0.148 CCCCCCNCCC(=O)N 56cad85fb9e1e012d0ba0b01c59f0ee9 [0,0,0,0,0,0|2,0,0]=2 434 B11R0.148 CCCCCCNCCC(=O)O 8d33e817dab78094c47164cc7392c6c0 [0,0,0,0,0,0|1,0,0]=1 435 B11R0.148 CCCCCCNCCC(=S)N 0f339dc41df1d7ce9e93328d64a9e97e [0,0,0,0,0,0|2,1,0]=3 436 B11R0.148 CCCCCCNCCC(C)C 135d433468be89f5a4b50279268055b1 [0,0,0,0,0,0|3,0,1]=4 437 B11R0.148 CCCCCCNCCC(C)O b61f5b6cff5c878fd1c98373352f3fc1 [0,0,0,0,0,0|2,0,1]=3 438 B11R0.148 CCCCCCNCCC(F)F f204747981d382370cfc771627ba36f0 [0,0,0,0,0,0|3,0,1]=4 439 B11R0.148 CCCCCCNCCN(C)C feca8b54bbb8ece79ee6eb8dd4407d43 [0,0,0,0,0,0|4,0,0]=4 440 B11R0.148 CCCCCCNCCS(=O)C 475c88c63a6ae669c4c216d277e2870d [0,0,0,0,0,0|3,0,0]=3 441 B11R0.148 CCCCCCNCCS(=O)O c59e7a819938a1baeb219ab5b5f69d6b [0,0,0,0,0,0|2,0,0]=2 442 B11R0.148 CCCCCCNCC[C@@H](C)O 5073f91f32a9c4b3d6ac7aff2d46c023 [0,0,0,0,0,0|2,0,1]=3 443 B11R0.148 CCCCCCNCC[C@H](C)O 87478981820d3d93e2f171457dfcd978 [0,0,0,0,0,0|2,0,1]=3 444 B11R0.148 CCCCCCNCOC(=O)C 1c1a5627acb6c3fcacc91b183f2cb953 [0,0,0,0,0,0|3,0,0]=3 445 B11R0.148 CCCCCCNCSC(=O)N a7e650a3db55d02ceb6601bc7a3b629b [0,0,0,0,0,0|3,0,0]=3 446 B11R0.148 CCCCCCOC/C=C(/C)\Cl 3217da00020186109ac684268f3a4229 [0,0,0,0,0,0|3,0,1]=4 447 B11R0.148 CCCCCCOC/C=C(/C)\I 42d6eaabbd9ccb5371b986581e746e3c [0,0,0,0,0,0|3,0,1]=4 448 B11R0.148 CCCCCCOC/C=C(\C)/Cl fe5511dbc0d53edaf2e45e378bf83eb9 [0,0,0,0,0,0|3,0,1]=4 449 B11R0.148 CCCCCCOCC=C(C)C 01521535f7ea090dd629b3eba93168e9 [0,0,0,0,0,0|3,0,1]=4 450 B11R0.148 CCCCCCOCC=C(C)Cl 449202f9925926f3cc218782fb7d580a [0,0,0,0,0,0|3,0,1]=4 451 B11R0.148 CCCCCCOCC=C(C)I 8716b7b87fe38c49ecc86d416f4d13fd [0,0,0,0,0,0|3,0,1]=4 452 B11R0.148 CCCCCCOCC=C(Cl)Cl 284b7ffbb5033acc6fdf1f25a24db64c [0,0,0,0,0,0|3,0,1]=4 453 B11R0.148 CCCCCCOCCC(=O)C ba6ca6ffd5fb9c6cc4e8d129cf77ebb5 [0,0,0,0,0,0|2,0,0]=2 454 B11R0.148 CCCCCCOCCC(=O)N 54320f1e572400bcb39399fa00db0727 [0,0,0,0,0,0|2,0,0]=2 455 B11R0.148 CCCCCCOCCC(=O)O 4717319825633e38fbcaeec5411785fc [0,0,0,0,0,0|1,0,0]=1 456 B11R0.148 CCCCCCOCCC(C)C f11cf86494cac2c289cc293249eaba1a [0,0,0,0,0,0|3,0,1]=4 457 B11R0.148 CCCCCCOCCC(F)F 557344c55868e1bf03b2646f878a1ba6 [0,0,0,0,0,0|3,0,1]=4 458 B11R0.148 CCCCCCOCCN(C)C 95bea298cb2735202435a59ed6005be9 [0,0,0,0,0,0|4,0,0]=4 459 B11R0.148 CCCCCCOCCS(=O)C 48fd1036c35525fa02a6d7c816b35e4a [0,0,0,0,0,0|3,0,0]=3 460 B11R0.148 CCCCCCOCC[N+](=O)[O-] de5eb72a8a9f184e849a2b75f8c48976 [0,0,0,0,0,0|2,0,1]=3 461 B11R0.148 CCCCCCOCNC(=O)C 821b7a0837138668b121aff777d67519 [0,0,0,0,0,0|3,0,0]=3 462 B11R0.148 CCCCCCOCNC(=O)N fed68983f827725d498d5dfb617d4a9b [0,0,0,0,0,0|3,0,0]=3 463 B11R0.148 CCCCCCOCOC(=O)C 7357a2b41ac7b5a18efb5ca4e2678b36 [0,0,0,0,0,0|3,0,0]=3 464 B11R0.148 CCCCCCOCSC(=O)N a7299f4ab4ae42885a28e4261898abe6 [0,0,0,0,0,0|3,0,0]=3 465 B11R0.148 CCCCCNC/C=C/C(=O)O b8046f0d80c9ff3885cdfa6c42d71162 [0,0,0,0,0,0|1,0,2]=3 466 B11R0.148 CCCCCNCC#CC(=O)N 376dd1e39d87aad7056cf0734caa30f5 [0,0,0,0,0,0|2,0,2]=4 467 B11R0.148 CCCCCNCC#CC(=O)O aed9235485305f99eb505497ed25180e [0,0,0,0,0,0|1,0,2]=3 468 B11R0.148 CCCCCNCC=CC(=O)O 58813a84cba492cefaaec0f7c2af3ed6 [0,0,0,0,0,0|1,0,2]=3 469 B11R0.148 CCCCCNCCC=C(C)C d6637617b4955445c507124ad86b540e [0,0,0,0,0,0|3,0,1]=4 470 B11R0.148 CCCCCNCCC=C(F)F 12a9b0ffdb638c3ef2d1bbe0b6915112 [0,0,0,0,0,0|3,0,1]=4 471 B11R0.148 CCCCCNCCCC(=O)C ae79e8ea156a5e770911e0ef57b141fd [0,0,0,0,0,0|2,0,0]=2 472 B11R0.148 CCCCCNCCCC(=O)N 6cb86dd703d81819cb42e7bbe50cbf67 [0,0,0,0,0,0|2,0,0]=2 473 B11R0.148 CCCCCNCCCC(=O)O ce92314d02facc18c8164866ccc58acb [0,0,0,0,0,0|1,0,0]=1 474 B11R0.148 CCCCCNCCCC(C)C 0361d464bc19c58076a87dd228c3e508 [0,0,0,0,0,0|3,0,1]=4 475 B11R0.148 CCCCCNCCCC(C)O 6e88f019848ff48aa5580012b93e4ead [0,0,0,0,0,0|2,0,1]=3 476 B11R0.148 CCCCCNCCCN(C)C 1547883d2249392382111b279fce4865 [0,0,0,0,0,0|4,0,0]=4 477 B11R0.148 CCCCCNCCCS(=O)C 987b67a292910faec3dd3726262729bb [0,0,0,0,0,0|3,0,0]=3 478 B11R0.148 CCCCCNCCC[N+](=O)[O-] 10b9119f7a09d0e3363d31224254b5b4 [0,0,0,0,0,0|2,0,1]=3 479 B11R0.148 CCCCCNCCNC(=O)C 7ff8c0f5354f73956142fbe6902b9879 [0,0,0,0,0,0|3,0,0]=3 480 B11R0.148 CCCCCNCCNC(=O)N d933535d3b9427d0f0e56b1ded0a266f [0,0,0,0,0,0|3,0,0]=3 481 B11R0.148 CCCCCNCCNC(=S)N 2f7ffa6ee90c5a918cbafc95c50fea06 [0,0,0,0,0,0|3,1,0]=4 482 B11R0.148 CCCCCNCCOC(=O)C 729f700d5178f65d822ba15d79799d97 [0,0,0,0,0,0|3,0,0]=3 483 B11R0.148 CCCCCNCCSC(=O)C d915aac4f03ed25f4f02a1b6cd47cc5d [0,0,0,0,0,0|3,0,0]=3 484 B11R0.148 CCCCCOC/C=C/C(=O)O 3d3460a3a6eee12116378f2de4d92d1f [0,0,0,0,0,0|1,0,2]=3 485 B11R0.148 CCCCCOCC#CC(=O)O 5c208b4c2dc6a197983d39a5def0aeed [0,0,0,0,0,0|1,0,2]=3 486 B11R0.148 CCCCCOCC=CC(=O)O ac6921bf081433b1f8d6059fbeb527c4 [0,0,0,0,0,0|1,0,2]=3 487 B11R0.148 CCCCCOCCC=C(C)C 474567c7ad39799d75b5ca9d8bdddc96 [0,0,0,0,0,0|3,0,1]=4 488 B11R0.148 CCCCCOCCC=C(F)F 4bc2bc592390ae6e531d4933262b3ac3 [0,0,0,0,0,0|3,0,1]=4 489 B11R0.148 CCCCCOCCCC(=O)C 2d5fb2796be532f83de2b588a833a781 [0,0,0,0,0,0|2,0,0]=2 490 B11R0.148 CCCCCOCCCC(=O)N 6551ad614f50be62a9bef870153adc2e [0,0,0,0,0,0|2,0,0]=2 491 B11R0.148 CCCCCOCCCC(C)C 5bb98aa79f2ecd06cca520f7b5a9ee52 [0,0,0,0,0,0|3,0,1]=4 492 B11R0.148 CCCCCOCCCN(C)C dec28adef2736d73e7ec49798eb9dfa7 [0,0,0,0,0,0|4,0,0]=4 493 B11R0.148 CCCCCOCCC[N+](=O)[O-] 74c985d4dc1007b525e7950e6e4d8fab [0,0,0,0,0,0|2,0,1]=3 494 B11R0.148 CCCCCOCCNC(=O)C 89e6bc94e5e2df2872af87ea20002aa7 [0,0,0,0,0,0|3,0,0]=3 495 B11R0.148 CCCCCOCCNC(=O)N 13c3811bac8616ed5cb39b3a52e35835 [0,0,0,0,0,0|3,0,0]=3 496 B11R0.148 CCCCCOCCNC(=S)N 88d050dc7f8cc439d4cb1e618659a841 [0,0,0,0,0,0|3,1,0]=4 497 B11R0.148 CCCCCOCCOC(=O)C ce892e28021cd219f16b0c1b93f354de [0,0,0,0,0,0|3,0,0]=3 498 B11R0.148 CCCCCOCCSC(=O)C 381130fac5641be83bacac00ee2d726c [0,0,0,0,0,0|3,0,0]=3 499 B11R0.148 CCCCNCCCCC(=O)C 544c9e2e2e33eb4d7d7343bae90cd58e [0,0,0,0,0,0|2,0,0]=2 500 B11R0.148 CCCCNCCCCC(=O)N 314026e751faa5b11c0ecab80061f9d7 [0,0,0,0,0,0|2,0,0]=2 501 B11R0.148 CCCCNCCCCC(=O)O db2891a1a49d26c3dd9a356095c13ecb [0,0,0,0,0,0|1,0,0]=1 502 B11R0.148 CCCCNCCCCC(C)C 1c732e5d1fc6816749b0c146f91075e1 [0,0,0,0,0,0|3,0,1]=4 503 B11R0.148 CCCCNCCCCC(C)O d25cea83b94c590c11c2a73b0c167344 [0,0,0,0,0,0|2,0,1]=3 504 B11R0.148 CCCCNCCCCC(F)F e2711bbdb18d5c94914b14d3121d5454 [0,0,0,0,0,0|3,0,1]=4 505 B11R0.148 CCCCNCCCCN(C)C bff2af05930f9a6d528118d70b9ce386 [0,0,0,0,0,0|4,0,0]=4 506 B11R0.148 CCCCNCCCC[C@@H](C)O 8b68c1025addda349947f3fed9cd8b0f [0,0,0,0,0,0|2,0,1]=3 507 B11R0.148 CCCCNCCCNC(=O)C 6d0de7a58670364332bd2c26e8ee7cdd [0,0,0,0,0,0|3,0,0]=3 508 B11R0.148 CCCCNCCCOC(=O)C 7853525c1345bc50778fe7631411e66c [0,0,0,0,0,0|3,0,0]=3 509 B11R0.148 CCCCNCCCOC(=S)C 73028220c83de81b0b3e572a11606df7 [0,0,0,0,0,0|3,1,0]=4 510 B11R0.148 CCCCNCCCSC(=O)C db939ed2d8d03cfa10c8f82ccb5505ff [0,0,0,0,0,0|3,0,0]=3 511 B11R0.148 CCCCNCCOCC(=O)N 19ec254951a01b30e55b59b666e6f6af [0,0,0,0,0,0|3,0,0]=3 512 B11R0.148 CCCCNCCOCC(=O)O c3ef0b6e39b500596a34f8201361fc3a [0,0,0,0,0,0|2,0,0]=2 513 B11R0.148 CCCCNCCSCC(=O)O 19c0aa25c2747ad4736c5abc66ee689c [0,0,0,0,0,0|2,0,0]=2 514 B11R0.148 CCCCOCCC#CC(=O)O 74d0efe4ad55f9a50fc1408fe4f834e6 [0,0,0,0,0,0|1,0,2]=3 515 B11R0.148 CCCCOCCCCC(=O)C a62f0819767c2537c037059a9981780c [0,0,0,0,0,0|2,0,0]=2 516 B11R0.148 CCCCOCCCCC(=O)N cb00e11a7c4db378275f51f63aaca2e7 [0,0,0,0,0,0|2,0,0]=2 517 B11R0.148 CCCCOCCCCC(=O)O 00e520501e14c3e825ffc7300146a3fe [0,0,0,0,0,0|1,0,0]=1 518 B11R0.148 CCCCOCCCCC(C)C 1e492fd7051ff99c89865c3fbb9848e2 [0,0,0,0,0,0|3,0,1]=4 519 B11R0.148 CCCCOCCCCN(C)C 0e9610248df441680a4fc5f7ea14afab [0,0,0,0,0,0|4,0,0]=4 520 B11R0.148 CCCCOCCCC[N+](=O)[O-] 945fc8d07071bde3444714f6c7856ad4 [0,0,0,0,0,0|2,0,1]=3 521 B11R0.148 CCCCOCCCNC(=O)C 14281244af5a76ea832226605fbb85e4 [0,0,0,0,0,0|3,0,0]=3 522 B11R0.148 CCCCOCCCOC(=O)C 477c462ef377d29beb78f95f82bb25eb [0,0,0,0,0,0|3,0,0]=3 523 B11R0.148 CCCCOCCCOC(=S)C d7aa2aa09240a85edad907d4be4b954e [0,0,0,0,0,0|3,1,0]=4 524 B11R0.148 CCCCOCCCO[N+](=O)[O-] 05f28463994a4f289ccb5d72e8b43f61 [0,0,0,0,0,0|3,0,1]=4 525 B11R0.148 CCCCOCCCSC(=O)C 614b19a166ecdbfad1b2d0cb89ad3484 [0,0,0,0,0,0|3,0,0]=3 526 B11R0.148 CCCCOCCNCC(=O)C 223e03f8df314d1ffe7fa22f1e699f9f [0,0,0,0,0,0|3,0,0]=3 527 B11R0.148 CCCCOCCNCC(=O)N d55758adec6732215d7faa76d4932df2 [0,0,0,0,0,0|3,0,0]=3 528 B11R0.148 CCCCOCCNCC(=O)O 5e535394d6f535f6322b79b8b1a838be [0,0,0,0,0,0|2,0,0]=2 529 B11R0.148 CCCCOCCNCC(C)O 21638369de26bd8dcdd1ce22cb7c6542 [0,0,0,0,0,0|3,0,1]=4 530 B11R0.148 CCCCOCCNC[C@@H](C)O 22110216e6ac6ac22cb317487440a16a [0,0,0,0,0,0|3,0,1]=4 531 B11R0.148 CCCCOCCNC[C@H](C)O 9b5446281ca28925eafc13772c4e97e0 [0,0,0,0,0,0|3,0,1]=4 532 B11R0.148 CCCCOCCNC[N+](=O)[O-] bece6fa58b9e933099b8a0b888f7f346 [0,0,0,0,0,0|3,0,1]=4 533 B11R0.148 CCCCOCCOCC(=O)C a1059fc843b2eaa33e87055a6bc4e6be [0,0,0,0,0,0|3,0,0]=3 534 B11R0.148 CCCCOCCOCC(=O)N de6114605ae237d4b8297b1463cd7bb3 [0,0,0,0,0,0|3,0,0]=3 535 B11R0.148 CCCCOCCOCC(=O)O f3952d347bddfc2dfd656d051a77ceb9 [0,0,0,0,0,0|2,0,0]=2 536 B11R0.148 CCCCOCCOCC(=S)N 6186b5f55e9be995b0a2a036c38ad632 [0,0,0,0,0,0|3,1,0]=4 537 B11R0.148 CCCCOCCOCS(=O)O 33a2fbe99da1dea6ea5418c41ee40add [0,0,0,0,0,0|3,0,0]=3 538 B11R0.148 CCCCOCCOC[N+](=O)[O-] ebcb308fb830ee97668cfc92b71f433e [0,0,0,0,0,0|3,0,1]=4 539 B11R0.148 CCCCOCCSCC(=O)N c3e4c14d2608d473c3ff9ff4504d12f1 [0,0,0,0,0,0|3,0,0]=3 540 B11R0.148 CCCCOCNCCC(=O)N 63106c9421e44307d938df1abc9eec5d [0,0,0,0,0,0|3,0,0]=3 541 B11R0.148 CCCCOCNCCC(=O)O 59d3523aaed3910cf6d2b55b40981768 [0,0,0,0,0,0|2,0,0]=2 542 B11R0.148 CCCCOCNCCC(=S)N 65e8aa634c3ef3f77f7b137e5f04c388 [0,0,0,0,0,0|3,1,0]=4 543 B11R0.148 CCCCOCNCCC(C)O 148db482aa009f71727e8341be3f6b11 [0,0,0,0,0,0|3,0,1]=4 544 B11R0.148 CCCCOCNCCS(=O)C ffd53be59a1b68f36c155cd13b993a08 [0,0,0,0,0,0|4,0,0]=4 545 B11R0.148 CCCCOCNCCS(=O)O 922462d2e6d1cea98d0bc53d7075cb06 [0,0,0,0,0,0|3,0,0]=3 546 B11R0.148 CCCCOCNCC[C@@H](C)O e6c1371cbf0bfa6e9c8730efe0b35016 [0,0,0,0,0,0|3,0,1]=4 547 B11R0.148 CCCCOCNCC[C@H](C)O 1bad416644b19aecf572e308a0d04d6d [0,0,0,0,0,0|3,0,1]=4 548 B11R0.148 CCCCOCOCCC(=O)C 42ce30f9bc9443451f7915bee899e3ba [0,0,0,0,0,0|3,0,0]=3 549 B11R0.148 CCCCOCOCCC(=O)N 043946ddc364602094f988fa5c5ecd02 [0,0,0,0,0,0|3,0,0]=3 550 B11R0.148 CCCCOCOCCC(=O)O 1fc55cd284db7eca48e94025d087c373 [0,0,0,0,0,0|2,0,0]=2 551 B11R0.148 CCCCOCOCCS(=O)C 419b0f625e6b8bfb82d349938b2d67c8 [0,0,0,0,0,0|4,0,0]=4 552 B11R0.148 CCCCOCOCC[N+](=O)[O-] c04485318a7cf403a534c6f15ed3d5d9 [0,0,0,0,0,0|3,0,1]=4 553 B11R0.148 CCCCOCOCNC(=O)C fe5611e158193767acd492ee37902052 [0,0,0,0,0,0|4,0,0]=4 554 B11R0.148 CCCCOCOCNC(=O)N f3b8781bdb7072974a663cf3d5f702f3 [0,0,0,0,0,0|4,0,0]=4 555 B11R0.148 CCCCSCCOCC(=O)N b52a7edd450ff66701eadb26af462853 [0,0,0,0,0,0|3,0,0]=3 556 B11R0.148 CCCCSCCOCC(=O)O ac797cbb248e6531ce12e2e37d4432b3 [0,0,0,0,0,0|2,0,0]=2 557 B11R0.148 CCCCSCCOC[N+](=O)[O-] 8e82aea0bf82f07ce9ba61e2e1c92c36 [0,0,0,0,0,0|3,0,1]=4 558 B11R0.148 CCCNCCCCCC(=O)C 354cff2ef02214f278274b1186349715 [0,0,0,0,0,0|2,0,0]=2 559 B11R0.148 CCCNCCCCCC(=O)N 2e59cc5df0185c8509f72f74417558d3 [0,0,0,0,0,0|2,0,0]=2 560 B11R0.148 CCCNCCCCCC(=O)O 040617eb9e641e6c46ed6e1b925655c5 [0,0,0,0,0,0|1,0,0]=1 561 B11R0.148 CCCNCCCCCC(C)C eeb48a0dfda96d56a343194a6bdd680b [0,0,0,0,0,0|3,0,1]=4 562 B11R0.148 CCCNCCCCCC(F)F 1a8aa5fc96eb481f16e40578ac485682 [0,0,0,0,0,0|3,0,1]=4 563 B11R0.148 CCCNCCCCCN(C)C b721302b37aba097430de1a536c35de0 [0,0,0,0,0,0|4,0,0]=4 564 B11R0.148 CCCNCCCCNC(=O)C afc7cb87fbf2cd12eb8fe76075788aed [0,0,0,0,0,0|3,0,0]=3 565 B11R0.148 CCCNCCCCOC(=O)C 5de6dd97eb13f02e3674c0a89f759217 [0,0,0,0,0,0|3,0,0]=3 566 B11R0.148 CCCNCCCCSC(=O)C e67c14e897e8fe6720f2feb7de9105a1 [0,0,0,0,0,0|3,0,0]=3 567 B11R0.148 CCCNCCCOCC(=O)O 0fe8426b6f63ee30bea77f979722006c [0,0,0,0,0,0|2,0,0]=2 568 B11R0.148 CCCNCCOCCC(=O)O 1f840a8dfeffea9a17d6831074997663 [0,0,0,0,0,0|2,0,0]=2 569 B11R0.148 CCCNCOCCOC(=O)C d68af067b97b21e6e41f54397a824b04 [0,0,0,0,0,0|4,0,0]=4 570 B11R0.148 CCCOCCCCCC(=O)C a9dd639cc488907d7b3255974d45f633 [0,0,0,0,0,0|2,0,0]=2 571 B11R0.148 CCCOCCCCCC(=O)N c8deadad22ee695447eda984e0e00b27 [0,0,0,0,0,0|2,0,0]=2 572 B11R0.148 CCCOCCCCCC(=O)O fa333152e0beffd56620c1d14609917b [0,0,0,0,0,0|1,0,0]=1 573 B11R0.148 CCCOCCCCCC(C)C 6a81fc1dfc051a37e19be46130d38b39 [0,0,0,0,0,0|3,0,1]=4 574 B11R0.148 CCCOCCCCCC(F)F 3d7292bf6884ee763dd1c9a2f551c51f [0,0,0,0,0,0|3,0,1]=4 575 B11R0.148 CCCOCCCCCN(C)C a52e7152e306b7fd6b3d9d880170c7ed [0,0,0,0,0,0|4,0,0]=4 576 B11R0.148 CCCOCCCCOC(=O)C 76d456e7ca4c7cd8d390c54bbbefcd78 [0,0,0,0,0,0|3,0,0]=3 577 B11R0.148 CCCOCCCCSC(=O)C 369c27db8c9be1ed6dd5c9b10da52191 [0,0,0,0,0,0|3,0,0]=3 578 B11R0.148 CCCOCCCNCC(=O)C 4d98936bd08942b43acf72033a9b2c2f [0,0,0,0,0,0|3,0,0]=3 579 B11R0.148 CCCOCCCNCC(=O)N 3f6559c926d4446f66c2980ab6a9ed59 [0,0,0,0,0,0|3,0,0]=3 580 B11R0.148 CCCOCCCNCC(=O)O 295a16ed1d6368a92e0dacd0d6a7c9c0 [0,0,0,0,0,0|2,0,0]=2 581 B11R0.148 CCCOCCCNCC(C)O d6c82e5b454bd2c3c1ef1a72075342a6 [0,0,0,0,0,0|3,0,1]=4 582 B11R0.148 CCCOCCCNC[C@@H](C)O 6e88951d00154414b61d7211b634d068 [0,0,0,0,0,0|3,0,1]=4 583 B11R0.148 CCCOCCCNC[C@H](C)O d00db65afbc8acf57f37b1f7276f5c44 [0,0,0,0,0,0|3,0,1]=4 584 B11R0.148 CCCOCCCNC[N+](=O)[O-] 50c20fa671e6543eca745862501cbde2 [0,0,0,0,0,0|3,0,1]=4 585 B11R0.148 CCCOCCCOCC(=O)C 809ccbc1f7a0704a8f6d3af11b40fcaf [0,0,0,0,0,0|3,0,0]=3 586 B11R0.148 CCCOCCCOCC(=O)N 197dd0390ce26a2b6584122ab22a2235 [0,0,0,0,0,0|3,0,0]=3 587 B11R0.148 CCCOCCCOCC(=O)O 1f8662db2650bfb91265d5551bc7d84a [0,0,0,0,0,0|2,0,0]=2 588 B11R0.148 CCCOCCCOCC(=S)N cd9817cd70e4e0ba0b4cefed1748af65 [0,0,0,0,0,0|3,1,0]=4 589 B11R0.148 CCCOCCCOCS(=O)O 69e55982009fd54d35ebcf71dab401fd [0,0,0,0,0,0|3,0,0]=3 590 B11R0.148 CCCOCCNCCC(=O)C 27f26296f1d645079891271267b1fb1b [0,0,0,0,0,0|3,0,0]=3 591 B11R0.148 CCCOCCNCCC(=O)N 147d0212973a9be645b8770a7dbc2926 [0,0,0,0,0,0|3,0,0]=3 592 B11R0.148 CCCOCCNCCC(=O)O 3216e228b5856edae86b90ecacfcf231 [0,0,0,0,0,0|2,0,0]=2 593 B11R0.148 CCCOCCNCCC(=S)N 82c1a09da703b5e6f838ed1930118be1 [0,0,0,0,0,0|3,1,0]=4 594 B11R0.148 CCCOCCNCCC(C)O 9e42e86b2c65219b29026f67ec48a629 [0,0,0,0,0,0|3,0,1]=4 595 B11R0.148 CCCOCCNCCS(=O)C 4873b7dde81c07f72cc8148db6affdd1 [0,0,0,0,0,0|4,0,0]=4 596 B11R0.148 CCCOCCNCCS(=O)O 7423dd033d54c3a000a3b2077a569114 [0,0,0,0,0,0|3,0,0]=3 597 B11R0.148 CCCOCCNCC[C@@H](C)O 4d6f01ae93be492b4114fb6bd706abf7 [0,0,0,0,0,0|3,0,1]=4 598 B11R0.148 CCCOCCNCC[C@H](C)O aca507be6d5f70b61f2f0120f005d5dc [0,0,0,0,0,0|3,0,1]=4 599 B11R0.148 CCCOCCNCOC(=O)C 53bfdace8f47c1705f903a1ea9b4b97c [0,0,0,0,0,0|4,0,0]=4 600 B11R0.148 CCCOCCNCSC(=O)N a7669f5c3797a5800c1d09feb3247c23 [0,0,0,0,0,0|4,0,0]=4 601 B11R0.148 CCCOCCOCCC(=O)C f9360e39798c51853ea8dd13387b8f0a [0,0,0,0,0,0|3,0,0]=3 602 B11R0.148 CCCOCCOCCC(=O)N 3273f455bae16f946489f0fece6c2b5d [0,0,0,0,0,0|3,0,0]=3 603 B11R0.148 CCCOCCOCCC(=O)O 481e9c6b14336445a42a64879cba16db [0,0,0,0,0,0|2,0,0]=2 604 B11R0.148 CCCOCCOCCS(=O)C 6ea139e69464dc6fd81d92e222cbb550 [0,0,0,0,0,0|4,0,0]=4 605 B11R0.148 CCCOCCOCC[N+](=O)[O-] 1576b8354fbfebe058713b7519f39121 [0,0,0,0,0,0|3,0,1]=4 606 B11R0.148 CCCOCCOCNC(=O)C b23ae07fb758e79a0e555882eb4a5259 [0,0,0,0,0,0|4,0,0]=4 607 B11R0.148 CCCOCCOCNC(=O)N 43a2491876f40a8aaeb65c667958f64d [0,0,0,0,0,0|4,0,0]=4 608 B11R0.148 CCCOCCOCOC(=O)C b7ccbdf6c032bbd88c5c0f2e9fa4c63c [0,0,0,0,0,0|4,0,0]=4 609 B11R0.148 CCCOCCOCSC(=O)N a035b9501ad15230cbc3153420b1c21b [0,0,0,0,0,0|4,0,0]=4 610 B11R0.148 CCCOCOCCOC(=O)C 5e38b62d62f5ae1c5aa251aa72e942f6 [0,0,0,0,0,0|4,0,0]=4 611 B11R0.148 CCCSCCCCNC(=O)C b995a956a32500c52f19eeccf108b053 [0,0,0,0,0,0|3,0,0]=3 612 B11R0.148 CCCSCCOCCC(=O)C d89b27589e5966e2907586fbff605623 [0,0,0,0,0,0|3,0,0]=3 613 B11R0.148 CCCSCCOCCC(=O)N 85b369b81b790676226e5cb1db8ab897 [0,0,0,0,0,0|3,0,0]=3 614 B11R0.148 CCCSCCOCCC(=O)O 547739abbd1ded8057bcdde3e3594a1e [0,0,0,0,0,0|2,0,0]=2 615 B11R0.148 CCCSCCOCCS(=O)C 8b99c2b828314be2223ad8dc9b902f58 [0,0,0,0,0,0|4,0,0]=4 616 B11R0.148 CCCSCCOCOC(=O)C 2ada1b2d1290f60eded3d0d3e4a3e397 [0,0,0,0,0,0|4,0,0]=4 617 B11R0.148 CCCSCCOCSC(=O)N dc44455a1dedf57e5ae8b31e6ef6199f [0,0,0,0,0,0|4,0,0]=4 618 B11R0.148 CCNCCCCCCC(=O)O e9a5c8afc11b12a621b1b3a6781fbc3e [0,0,0,0,0,0|1,0,0]=1 619 B11R0.148 CCNCCCCCCC(C)C 5ed601e8bc317c5240d8cdd8cca0d3a5 [0,0,0,0,0,0|3,0,1]=4 620 B11R0.148 CCNCCCCCCN(C)C c8bbd02c342bc571071aa980e2435837 [0,0,0,0,0,0|4,0,0]=4 621 B11R0.148 CCNCCCCCNC(=O)C 73d4870ba672365fcc36e846ca9b99bb [0,0,0,0,0,0|3,0,0]=3 622 B11R0.148 CCNCCCSCCC(=O)N 3b9d810794bbb3a8b1829f65b110481c [0,0,0,0,0,0|3,0,0]=3 623 B11R0.148 CCOCCCCCCC(=O)N 4309c4ad68143dc07468ec85b2f0df7c [0,0,0,0,0,0|2,0,0]=2 624 B11R0.148 CCOCCCCCCC(=O)O c60be55443aee57331a1445b50b93edc [0,0,0,0,0,0|1,0,0]=1 625 B11R0.148 CCOCCCCCCC(C)C 86a3297b0d267c43a1da48814b1341a5 [0,0,0,0,0,0|3,0,1]=4 626 B11R0.148 CCOCCCCCCN(C)C 7e663c03bfe94789767a7c590fb2ecf7 [0,0,0,0,0,0|4,0,0]=4 627 B11R0.148 CCOCCCNCCC(=O)C 46f69c4f1f67e6be60c924b9fca5b953 [0,0,0,0,0,0|3,0,0]=3 628 B11R0.148 CCOCCCNCCC(=O)N fe6219109658eca7fe6cac38be5013c4 [0,0,0,0,0,0|3,0,0]=3 629 B11R0.148 CCOCCCNCCC(=O)O 2b2f9d5d9072aa622d59e92279d2763e [0,0,0,0,0,0|2,0,0]=2 630 B11R0.148 CCOCCCNCCC(=S)N 4e3e2fff25d09151bbe61ee0c963f342 [0,0,0,0,0,0|3,1,0]=4 631 B11R0.148 CCOCCCNCCC(C)O 7a079affb633d4a4d30ae4d44cb9883c [0,0,0,0,0,0|3,0,1]=4 632 B11R0.148 CCOCCCNCCS(=O)C aa0b4d168bf0e6e6bd10449c35abb418 [0,0,0,0,0,0|4,0,0]=4 633 B11R0.148 CCOCCCNCCS(=O)O 0c50e1a9960e345eb1009e4ea7070481 [0,0,0,0,0,0|3,0,0]=3 634 B11R0.148 CCOCCCNCC[C@@H](C)O 41e32664e3186fcfdb192342036e224d [0,0,0,0,0,0|3,0,1]=4 635 B11R0.148 CCOCCCNCC[C@H](C)O 0e0610f832c96608f36c453a600feca0 [0,0,0,0,0,0|3,0,1]=4 636 B11R0.148 CCOCCCNCOC(=O)C f72194c18a8ee309612540b87069cbfe [0,0,0,0,0,0|4,0,0]=4 637 B11R0.148 CCOCCCNCSC(=O)N 67c4993b78d80848c0e24777ee5810e4 [0,0,0,0,0,0|4,0,0]=4 638 B11R0.148 CCOCCCOCCC(=O)C 4f23c7fb5dd33b6e6621ffd123c50673 [0,0,0,0,0,0|3,0,0]=3 639 B11R0.148 CCOCCCOCCC(=O)N 1c679141ab0fd8434537f4f151280934 [0,0,0,0,0,0|3,0,0]=3 640 B11R0.148 CCOCCCOCCC(=O)O 960bfd3fbc61cd9dd8dab5b3be9764c1 [0,0,0,0,0,0|2,0,0]=2 641 B11R0.148 CCOCCCOCCS(=O)C 1cd30239f5d47d9c2677389593367e40 [0,0,0,0,0,0|4,0,0]=4 642 B11R0.148 CCOCCCOCC[N+](=O)[O-] f010918cdc1009966f1d46e98ad6210f [0,0,0,0,0,0|3,0,1]=4 643 B11R0.148 CCOCCCOCNC(=O)C 522dda690b0caffa68ecc452a6925793 [0,0,0,0,0,0|4,0,0]=4 644 B11R0.148 CCOCCCOCNC(=O)N aaa6dca5b2478094800ad09d3823cef6 [0,0,0,0,0,0|4,0,0]=4 645 B11R0.148 CCOCCCOCOC(=O)C b5040ccca1022e3efc3c25720f70e2db [0,0,0,0,0,0|4,0,0]=4 646 B11R0.148 CCOCCCOCSC(=O)N 6ea6ff0e01b9b44eb5ce79604e9892de [0,0,0,0,0,0|4,0,0]=4 647 B11R0.148 CCOCCNC/C=C/C(=O)O 180e79545ae63835752a114aad6ab053 [0,0,0,0,0,0|2,0,2]=4 648 B11R0.148 CCOCCNCC#CC(=O)O ab87646df8347e07fb2eddeffc2bc2c6 [0,0,0,0,0,0|2,0,2]=4 649 B11R0.148 CCOCCNCC=CC(=O)O 7ebe6156c1f494037b0a51305a268124 [0,0,0,0,0,0|2,0,2]=4 650 B11R0.148 CCOCCNCCCC(=O)C f228f108df37202b13afef73a7689247 [0,0,0,0,0,0|3,0,0]=3 651 B11R0.148 CCOCCNCCCC(=O)N 81ca3fff0e8df8f95cd35222af260729 [0,0,0,0,0,0|3,0,0]=3 652 B11R0.148 CCOCCNCCCC(=O)O 8e29492c33ef7432580d9c26f2acb055 [0,0,0,0,0,0|2,0,0]=2 653 B11R0.148 CCOCCNCCCC(C)O f1c4afa02ff802c760d14d637e7d312c [0,0,0,0,0,0|3,0,1]=4 654 B11R0.148 CCOCCNCCCS(=O)C d777344ef01a06bdb929427e2ffab303 [0,0,0,0,0,0|4,0,0]=4 655 B11R0.148 CCOCCNCCC[N+](=O)[O-] f70cd2f1ce06ae83d55cdbfac6a48d56 [0,0,0,0,0,0|3,0,1]=4 656 B11R0.148 CCOCCNCCNC(=O)C 5f337f4ef9f4a5eaa06c8db14b678f5e [0,0,0,0,0,0|4,0,0]=4 657 B11R0.148 CCOCCNCCNC(=O)N ea50c00d7f3efee4a4916362850384ee [0,0,0,0,0,0|4,0,0]=4 658 B11R0.148 CCOCCNCCOC(=O)C d11057c9b53c3feb055142d13a635a39 [0,0,0,0,0,0|4,0,0]=4 659 B11R0.148 CCOCCNCCSC(=O)C 4592bc61f1358ebe777604ff7b8e824c [0,0,0,0,0,0|4,0,0]=4 660 B11R0.148 CCOCCOC/C=C/C(=O)O 067f6e854dcca2baddc1da5d8726b400 [0,0,0,0,0,0|2,0,2]=4 661 B11R0.148 CCOCCOCC#CC(=O)O 1c4e216c7423b8dc47d757c037ff9583 [0,0,0,0,0,0|2,0,2]=4 662 B11R0.148 CCOCCOCC=CC(=O)O 27fccb562f0bdfd787e2068a9d95027e [0,0,0,0,0,0|2,0,2]=4 663 B11R0.148 CCOCCOCCCC(=O)C 14a18b63593837505b3352d7193ebabc [0,0,0,0,0,0|3,0,0]=3 664 B11R0.148 CCOCCOCCCC(=O)N 74091c5652e0a13ebc5b5ac563a78c9d [0,0,0,0,0,0|3,0,0]=3 665 B11R0.148 CCOCCOCCCC(=O)O 7188f19f71415130253b8f1d4ffb2ebe [0,0,0,0,0,0|2,0,0]=2 666 B11R0.148 CCOCCOCCC[N+](=O)[O-] b79e936a8ea8688520a6f9f43e71ea41 [0,0,0,0,0,0|3,0,1]=4 667 B11R0.148 CCOCCOCCNC(=O)C 7604d74605a4378d41bfd856b682739e [0,0,0,0,0,0|4,0,0]=4 668 B11R0.148 CCOCCOCCNC(=O)N ee97709e164cca41d4c931d124543006 [0,0,0,0,0,0|4,0,0]=4 669 B11R0.148 CCOCCOCCOC(=O)C dce5b9d243cb4f2475003dba8acbf87a [0,0,0,0,0,0|4,0,0]=4 670 B11R0.148 CCOCCOCCSC(=O)C 2b905d6662f2c05e631a9f212ca9a0e8 [0,0,0,0,0,0|4,0,0]=4 671 B11R0.148 CCOCCSSCCC(=O)O a57ae2d39d4c2a3eb820ab839613f0f0 [0,0,0,0,0,0|3,0,0]=3 672 B11R0.148 CCOCNCCCCC(=O)N afbbbe78a221f9f6fde7f0237c212c79 [0,0,0,0,0,0|3,0,0]=3 673 B11R0.148 CCOCNCCCCC(=O)O aa1ae81ce73a99ebbf1bd5e7fa2b61d8 [0,0,0,0,0,0|2,0,0]=2 674 B11R0.148 CCOCNCCCNC(=O)C 442a0dbffefadaedcc20d66b731715b1 [0,0,0,0,0,0|4,0,0]=4 675 B11R0.148 CCOCNCCOCC(=O)O a33c4a0bbec8fd138b288fbd228c702d [0,0,0,0,0,0|3,0,0]=3 676 B11R0.148 CCOCOCCC#CC(=O)O 9480244700cd5cbec0d9a69576ca14ca [0,0,0,0,0,0|2,0,2]=4 677 B11R0.148 CCOCOCCCCC(=O)C 494c300c93d7879b4e62627be935996c [0,0,0,0,0,0|3,0,0]=3 678 B11R0.148 CCOCOCCCCC(=O)N 9b034d7ab95e332aa1d84237ca556e4d [0,0,0,0,0,0|3,0,0]=3 679 B11R0.148 CCOCOCCCC[N+](=O)[O-] 6551f2c5713825cdc985a8190bb1d940 [0,0,0,0,0,0|3,0,1]=4 680 B11R0.148 CCOCOCCCNC(=O)C c04c82b9564ab786b1ac9ab7031322a1 [0,0,0,0,0,0|4,0,0]=4 681 B11R0.148 CCOCOCCCOC(=O)C 766e50fafcc41d74ca1225e1aae414ec [0,0,0,0,0,0|4,0,0]=4 682 B11R0.148 CCOCOCCCSC(=O)C 237da1e66471b17bbf1fe6e629c698ce [0,0,0,0,0,0|4,0,0]=4 683 B11R0.148 CCOCOCCOCC(=O)O 97f4b2f9eafed8e6dc36d723088615dd [0,0,0,0,0,0|3,0,0]=3 684 B11R0.148 CCOCOCCSCC(=O)N a102fef971ccc97b0472b256bc522189 [0,0,0,0,0,0|4,0,0]=4 685 B11R0.148 CCSCCCCNCC(=O)N 9c59e81059dfcc95e6ed0cc0af76ab37 [0,0,0,0,0,0|3,0,0]=3 686 B11R0.148 CCSCCCCNCC(=O)O 48d23c14c94084e7bff45772097aafd6 [0,0,0,0,0,0|2,0,0]=2 687 B11R0.148 CCSCCCCNCC(C)O 7c3aa50bf4e6e962762981b5339b92ac [0,0,0,0,0,0|3,0,1]=4 688 B11R0.148 CCSCCCCNC[C@@H](C)O 4f3d3b7cfb78207e6d5945de564823ab [0,0,0,0,0,0|3,0,1]=4 689 B11R0.148 CCSCCCCNC[C@H](C)O 3bfac6a94d832caf268f359b97cd65af [0,0,0,0,0,0|3,0,1]=4 690 B11R0.148 CCSCCCCNC[N+](=O)[O-] 1e27db882540f2ae0a546b7300f7963c [0,0,0,0,0,0|3,0,1]=4 691 B11R0.148 CCSCCCNCCC(=O)N a1abe2a0a680561f84dd9355be022a70 [0,0,0,0,0,0|3,0,0]=3 692 B11R0.148 CCSCCCNCCC(=S)N 95511848c5bf353272092a091ab42cba [0,0,0,0,0,0|3,1,0]=4 693 B11R0.148 CCSCCCNCCC(C)O 9937322b8870d6b84770f258dc11e61f [0,0,0,0,0,0|3,0,1]=4 694 B11R0.148 CCSCCCNCCS(=O)O 26ce23f28bb397f475d4cfe6e6e2aefc [0,0,0,0,0,0|3,0,0]=3 695 B11R0.148 CCSCCCNCC[C@@H](C)O 673513fce6bf6802e1369b196758fe4a [0,0,0,0,0,0|3,0,1]=4 696 B11R0.148 CCSCCCNCC[C@H](C)O f83a5da81c822d34f544e69e34cac1c2 [0,0,0,0,0,0|3,0,1]=4 697 B11R0.148 CCSCCCOCCC(=O)C c42589189df812f9b05f572e4305064f [0,0,0,0,0,0|3,0,0]=3 698 B11R0.148 CCSCCCOCCC(=O)N 5a0250c5bcfc2bc0c92b12d3be1e42d2 [0,0,0,0,0,0|3,0,0]=3 699 B11R0.148 CCSCCCOCCC(=O)O 295ed2aed1a2219fd17360210752fa06 [0,0,0,0,0,0|2,0,0]=2 700 B11R0.148 CCSCCCOCCS(=O)C 9c9aa753dcea3c9876d2be814fa96abc [0,0,0,0,0,0|4,0,0]=4 701 B11R0.148 CCSCCCOCC[N+](=O)[O-] 8f0c29276bca81a540e0ce510ce47a75 [0,0,0,0,0,0|3,0,1]=4 702 B11R0.148 CCSCCCOCNC(=O)C 488acf984bf74a6c4bb52c3419cc089a [0,0,0,0,0,0|4,0,0]=4 703 B11R0.148 CCSCCCOCNC(=O)N cb709ff5ba3bbfcd7a6d35c3f63c08ba [0,0,0,0,0,0|4,0,0]=4 704 B11R0.148 CCSCCCOCOC(=O)C ba4795a4719fa7e8535dda869fce2e20 [0,0,0,0,0,0|4,0,0]=4 705 B11R0.148 CCSCCCOCSC(=O)N 83b612e776d4a3a7320c02b5078fd69f [0,0,0,0,0,0|4,0,0]=4 706 B11R0.148 CCSCCNC/C=C/C(=O)O a6bc3438689a03ce49577c593d432733 [0,0,0,0,0,0|2,0,2]=4 707 B11R0.148 CCSCCNCC#CC(=O)O 3e57d42b794377aaa7da61034dcd7d0a [0,0,0,0,0,0|2,0,2]=4 708 B11R0.148 CCSCCNCC=CC(=O)O 2a360c976885c82851dd967ffc9a3f91 [0,0,0,0,0,0|2,0,2]=4 709 B11R0.148 CCSCCNCCCC(=O)C 064a7ffcceb38b9394777322ebb69ec8 [0,0,0,0,0,0|3,0,0]=3 710 B11R0.148 CCSCCNCCCC(=O)N 80eb1a1beb57f0b3a6aaac445f0eed57 [0,0,0,0,0,0|3,0,0]=3 711 B11R0.148 CCSCCNCCCC(=O)O e75265f16a8580bfb93e2109f6957cdc [0,0,0,0,0,0|2,0,0]=2 712 B11R0.148 CCSCCNCCCC(C)O e6c13131ad4eb421f5fc9a0f72f7aa78 [0,0,0,0,0,0|3,0,1]=4 713 B11R0.148 CCSCCNCCC[N+](=O)[O-] 5c9533f32225e6827b67a5d5205ff70a [0,0,0,0,0,0|3,0,1]=4 714 B11R0.148 CCSCCNCCNC(=O)C 61a47ec12d774f62411372a4fab89830 [0,0,0,0,0,0|4,0,0]=4 715 B11R0.148 CCSCCNCCNC(=O)N e0f7a83b166a9fdac21ea07f8151c589 [0,0,0,0,0,0|4,0,0]=4 716 B11R0.148 CCSCCNCCOC(=O)C 9d04ef14a4df3832added1f915855d9c [0,0,0,0,0,0|4,0,0]=4 717 B11R0.148 CCSCCNCCSC(=O)C 7e7df5b64e941e5ce446f9d6500f5d97 [0,0,0,0,0,0|4,0,0]=4 718 B11R0.148 CCSCCOC/C=C/C(=O)O e95eba37a36db3459c9c81e4d744903c [0,0,0,0,0,0|2,0,2]=4 719 B11R0.148 CCSCCOCC#CC(=O)O cae7eadf55c734e52922ab8f3a426cb0 [0,0,0,0,0,0|2,0,2]=4 720 B11R0.148 CCSCCOCC=CC(=O)O e86d5911d8fee7e79b9905a1fae4f02a [0,0,0,0,0,0|2,0,2]=4 721 B11R0.148 CCSCCOCCCC(=O)C 8f4393f530065181ad15e664abafcbb1 [0,0,0,0,0,0|3,0,0]=3 722 B11R0.148 CCSCCOCCCC(=O)N de563f12805ec0ab75c1fb290e126e02 [0,0,0,0,0,0|3,0,0]=3 723 B11R0.148 CCSCCOCCCC(=O)O be81c63483d7f62e89bb00d9826e624f [0,0,0,0,0,0|2,0,0]=2 724 B11R0.148 CCSCCOCCC[N+](=O)[O-] ff681eca5c595410dd3223a58060c380 [0,0,0,0,0,0|3,0,1]=4 725 B11R0.148 CCSCCOCCNC(=O)C 11aafb3a03558d452f0d6522813f7536 [0,0,0,0,0,0|4,0,0]=4 726 B11R0.148 CCSCCOCCNC(=O)N e80dd54b2fa6d9c8324da1b63fa63c07 [0,0,0,0,0,0|4,0,0]=4 727 B11R0.148 CCSCCOCCOC(=O)C f34f32bb6deb83015d59a8fbed3f2f18 [0,0,0,0,0,0|4,0,0]=4 728 B11R0.148 CCSCCOCCSC(=O)C e023d1ac61e3852d1c61c248a7150dfe [0,0,0,0,0,0|4,0,0]=4 729 B11R0.148 COCCCCCNCC(=O)C f14a0e7c6184fb994195ce1a50edd828 [0,0,0,0,0,0|3,0,0]=3 730 B11R0.148 COCCCCCNCC(=O)N 5e2dc0da8065545854a47ea7255ef805 [0,0,0,0,0,0|3,0,0]=3 731 B11R0.148 COCCCCCNCC(=O)O e9d365c9b641bfa544654729405f2968 [0,0,0,0,0,0|2,0,0]=2 732 B11R0.148 COCCCCCNCC(C)O 67657b02b2065cfa1827ce4c8181a02e [0,0,0,0,0,0|3,0,1]=4 733 B11R0.148 COCCCCCNC[C@@H](C)O 8063e074c1d5e4b68738c6548127369c [0,0,0,0,0,0|3,0,1]=4 734 B11R0.148 COCCCCCNC[C@H](C)O c8f034cd60e63c96f70e07490a8b848c [0,0,0,0,0,0|3,0,1]=4 735 B11R0.148 COCCCCCNC[N+](=O)[O-] 93ea570732ce04735969500f0f57dbae [0,0,0,0,0,0|3,0,1]=4 736 B11R0.148 COCCCCCOCC(=O)C d37277e1c0f5be693f57271e9f1f4394 [0,0,0,0,0,0|3,0,0]=3 737 B11R0.148 COCCCCCOCC(=O)N 4c7f4bf046a594ea659f3ea364afa19d [0,0,0,0,0,0|3,0,0]=3 738 B11R0.148 COCCCCCOCC(=O)O 2ece8647978153469dc704b17fef017d [0,0,0,0,0,0|2,0,0]=2 739 B11R0.148 COCCCCCOCC(=S)N 79ccabd9d76c31a05f7da417cd203db4 [0,0,0,0,0,0|3,1,0]=4 740 B11R0.148 COCCCCCOCS(=O)O 741a08e6be66276ff6cd81a1454639e7 [0,0,0,0,0,0|3,0,0]=3 741 B11R0.148 COCCCCNCCC(=O)C 99d64fad0e8afbca73c8d652d21bae31 [0,0,0,0,0,0|3,0,0]=3 742 B11R0.148 COCCCCNCCC(=O)N 9deedf36132fe49c67ba11317c5d11c3 [0,0,0,0,0,0|3,0,0]=3 743 B11R0.148 COCCCCNCCC(=O)O d7bbe9fde4ea1411124188ea6025950d [0,0,0,0,0,0|2,0,0]=2 744 B11R0.148 COCCCCNCCC(=S)N 2609fd7e1322253d622c2df2f1adfca2 [0,0,0,0,0,0|3,1,0]=4 745 B11R0.148 COCCCCNCCC(C)O cff87372cb5ce90ec34d6c8f1b3b4ffa [0,0,0,0,0,0|3,0,1]=4 746 B11R0.148 COCCCCNCCS(=O)C 01100a3c56b4407a67a8f49a6ca051f6 [0,0,0,0,0,0|4,0,0]=4 747 B11R0.148 COCCCCNCCS(=O)O b8dcdd169fa038b597bf1923574605a9 [0,0,0,0,0,0|3,0,0]=3 748 B11R0.148 COCCCCNCC[C@@H](C)O b20c29a511e2696352a2b4afeee4b6c1 [0,0,0,0,0,0|3,0,1]=4 749 B11R0.148 COCCCCNCC[C@H](C)O 8377f07ca1a0f446a17f7ab401b962ee [0,0,0,0,0,0|3,0,1]=4 750 B11R0.148 COCCCCNCOC(=O)C 0d747e46a064d71fc7b6ef2a3d5ee654 [0,0,0,0,0,0|4,0,0]=4 751 B11R0.148 COCCCCNCSC(=O)N 46d7d9e21bba0577ce280b379eda1b73 [0,0,0,0,0,0|4,0,0]=4 752 B11R0.148 COCCCCOCCC(=O)C f1c810eb131cc0cf69e918163bd7c135 [0,0,0,0,0,0|3,0,0]=3 753 B11R0.148 COCCCCOCCC(=O)N 5fb1bb369e75aaf8f9cefa645aa9df3c [0,0,0,0,0,0|3,0,0]=3 754 B11R0.148 COCCCCOCCC(=O)O a9a7f1dd96d065141ddf56bc5e4dadb6 [0,0,0,0,0,0|2,0,0]=2 755 B11R0.148 COCCCCOCCS(=O)C 3f5ee43394d09ac425b5e5e4827d415e [0,0,0,0,0,0|4,0,0]=4 756 B11R0.148 COCCCCOCC[N+](=O)[O-] cbb22d75c86d26f9ba20fff94aeea6c5 [0,0,0,0,0,0|3,0,1]=4 757 B11R0.148 COCCCCOCNC(=O)C 621807ba34baa7dc8338a762404f5b32 [0,0,0,0,0,0|4,0,0]=4 758 B11R0.148 COCCCCOCNC(=O)N dfb63e7d18c59af55726e9a2f7d5ce6d [0,0,0,0,0,0|4,0,0]=4 759 B11R0.148 COCCCCOCOC(=O)C b8c949ce509c96fab217fd6ac0a7706a [0,0,0,0,0,0|4,0,0]=4 760 B11R0.148 COCCCCOCSC(=O)N ae7fcfa9e2c166c57d9abf92fe6e675c [0,0,0,0,0,0|4,0,0]=4 761 B11R0.148 COCCCNC/C=C/C(=O)O b9b1ed05b523aa74090b0170ba333231 [0,0,0,0,0,0|2,0,2]=4 762 B11R0.148 COCCCNCC#CC(=O)O 6e16ba501fada04748f9d21fc0f53edc [0,0,0,0,0,0|2,0,2]=4 763 B11R0.148 COCCCNCC=CC(=O)O ffe4458a9d773fa0f5805fd16083945f [0,0,0,0,0,0|2,0,2]=4 764 B11R0.148 COCCCNCCCC(=O)C 4ccb1c720ecdf7e33d7132d28dd2a288 [0,0,0,0,0,0|3,0,0]=3 765 B11R0.148 COCCCNCCCC(=O)N ff1311ddd2554bd05fa21dab09b80c0c [0,0,0,0,0,0|3,0,0]=3 766 B11R0.148 COCCCNCCCC(=O)O dfefe79baa8d3de2e2f22b6b63766bcf [0,0,0,0,0,0|2,0,0]=2 767 B11R0.148 COCCCNCCCC(C)O e82510b018bd3b6724a60d7dd9a8b04d [0,0,0,0,0,0|3,0,1]=4 768 B11R0.148 COCCCNCCCS(=O)C 05bb3bf5e3fd558971ca7a045248c170 [0,0,0,0,0,0|4,0,0]=4 769 B11R0.148 COCCCNCCC[N+](=O)[O-] 4e23b442f7056b3551810828865f5e8c [0,0,0,0,0,0|3,0,1]=4 770 B11R0.148 COCCCNCCNC(=O)C b60609d1b97443e2b41e3989cac096b2 [0,0,0,0,0,0|4,0,0]=4 771 B11R0.148 COCCCNCCNC(=O)N c9bd4f72f54f66101c574015fca6e9ce [0,0,0,0,0,0|4,0,0]=4 772 B11R0.148 COCCCNCCOC(=O)C 968c2daa6f0b4681b711adee5c85b35c [0,0,0,0,0,0|4,0,0]=4 773 B11R0.148 COCCCNCCSC(=O)C 55f4228d11d9e33792523ffe2108d9af [0,0,0,0,0,0|4,0,0]=4 774 B11R0.148 COCCCOC/C=C/C(=O)O 0805cb03c3c7f2481256c9f7647a4e4f [0,0,0,0,0,0|2,0,2]=4 775 B11R0.148 COCCCOCC#CC(=O)O 1d5efceab99816318884070aedcd0873 [0,0,0,0,0,0|2,0,2]=4 776 B11R0.148 COCCCOCC=CC(=O)O c65c2be497ef9593c8bb24cb3e26e54d [0,0,0,0,0,0|2,0,2]=4 777 B11R0.148 COCCCOCCCC(=O)C 87d421651be24118b98fa50f3606c492 [0,0,0,0,0,0|3,0,0]=3 778 B11R0.148 COCCCOCCCC(=O)N 570bc79fbc9673c05caf76b7272e29d2 [0,0,0,0,0,0|3,0,0]=3 779 B11R0.148 COCCCOCCCC(=O)O 49621db20500d04702119d17ede7109b [0,0,0,0,0,0|2,0,0]=2 780 B11R0.148 COCCCOCCC[N+](=O)[O-] a8bf480117b7b86759d09e767db09697 [0,0,0,0,0,0|3,0,1]=4 781 B11R0.148 COCCCOCCNC(=O)C facbc361869cdc81ccaebc94ea2d0864 [0,0,0,0,0,0|4,0,0]=4 782 B11R0.148 COCCCOCCNC(=O)N 8a82fc8d8de30b8dabb18626033968be [0,0,0,0,0,0|4,0,0]=4 783 B11R0.148 COCCCOCCOC(=O)C 1e478fb35f0795b507776209452aab42 [0,0,0,0,0,0|4,0,0]=4 784 B11R0.148 COCCCOCCSC(=O)C c611948d98170be4cbfb6850533fdb2f [0,0,0,0,0,0|4,0,0]=4 785 B11R0.148 COCCNCCCCC(=O)C 5c740e29f6604eaf8ea19cb01cba1f89 [0,0,0,0,0,0|3,0,0]=3 786 B11R0.148 COCCNCCCCC(=O)N a69178594994fce2b09a3283598a799f [0,0,0,0,0,0|3,0,0]=3 787 B11R0.148 COCCNCCCCC(=O)O d88042a9f5ae6ecad4def0db5518e485 [0,0,0,0,0,0|2,0,0]=2 788 B11R0.148 COCCNCCCCC(C)O d7e529905c1e8c926b9971b6a2056c04 [0,0,0,0,0,0|3,0,1]=4 789 B11R0.148 COCCNCCCC[C@@H](C)O e0146f541928e12747a321e45778da6a [0,0,0,0,0,0|3,0,1]=4 790 B11R0.148 COCCNCCCNC(=O)C 4ab65adadb0b1b87bfe3d5370bf935f0 [0,0,0,0,0,0|4,0,0]=4 791 B11R0.148 COCCNCCCOC(=O)C d9c520ba73350cf1259e25a413cd1369 [0,0,0,0,0,0|4,0,0]=4 792 B11R0.148 COCCNCCCSC(=O)C 1d52c60ad1d6280a5cb4bae035901cf3 [0,0,0,0,0,0|4,0,0]=4 793 B11R0.148 COCCNCCOCC(=O)N f0123815ab53483dcd06698ef9af9e8f [0,0,0,0,0,0|4,0,0]=4 794 B11R0.148 COCCNCCOCC(=O)O 15d675cffbe1288665b8934bfa047fb6 [0,0,0,0,0,0|3,0,0]=3 795 B11R0.148 COCCNCCSCC(=O)O ffd3b5a9d8009e9bff3ba8de7b83a824 [0,0,0,0,0,0|3,0,0]=3 796 B11R0.148 COCCOCCC#CC(=O)O 10f10eaf86d8fbfa2b9b7c01d60c21f6 [0,0,0,0,0,0|2,0,2]=4 797 B11R0.148 COCCOCCCCC(=O)C e1bd35f3a7437c78a11075e0c6413b43 [0,0,0,0,0,0|3,0,0]=3 798 B11R0.148 COCCOCCCCC(=O)N 2ba56663b33293fd90334bbc3ce2783c [0,0,0,0,0,0|3,0,0]=3 799 B11R0.148 COCCOCCCCC(=O)O 1bfe81f974cd55b00acd5b66b8e21fb5 [0,0,0,0,0,0|2,0,0]=2 800 B11R0.148 COCCOCCCC[N+](=O)[O-] 5eedb93d6f2527cd5d2620622d65e313 [0,0,0,0,0,0|3,0,1]=4 801 B11R0.148 COCCOCCCNC(=O)C f9ee75c92d5cd148f854f328d5324833 [0,0,0,0,0,0|4,0,0]=4 802 B11R0.148 COCCOCCCOC(=O)C 250a651527a6003df2c5e2ab8a7f9b6a [0,0,0,0,0,0|4,0,0]=4 803 B11R0.148 COCCOCCCSC(=O)C d4e547df7110735ced40ba4178efd15e [0,0,0,0,0,0|4,0,0]=4 804 B11R0.148 COCCOCCNCC(=O)C e2b13aa960366926172d36f59def4c42 [0,0,0,0,0,0|4,0,0]=4 805 B11R0.148 COCCOCCNCC(=O)N 470b8ba26f01216e6d2c06fbeb5c3e6a [0,0,0,0,0,0|4,0,0]=4 806 B11R0.148 COCCOCCNCC(=O)O 4f8ab39ff2e64affe7e41f9cb12fdb1e [0,0,0,0,0,0|3,0,0]=3 807 B11R0.148 COCCOCCOCC(=O)C 79e4e21a801fa413b2aef56b8645b4c2 [0,0,0,0,0,0|4,0,0]=4 808 B11R0.148 COCCOCCOCC(=O)N 9fdafc59d0c21de86e0d5974855d5940 [0,0,0,0,0,0|4,0,0]=4 809 B11R0.148 COCCOCCOCC(=O)O 4b9c2d93a46cacbc0f62960a2df3fdb8 [0,0,0,0,0,0|3,0,0]=3 810 B11R0.148 COCCOCCOCS(=O)O a0bc3caf3e01107a145c28497dfe4c7f [0,0,0,0,0,0|4,0,0]=4 811 B11R0.148 COCCOCCSCC(=O)N 684858f80070c9e78204a44f1e101bbf [0,0,0,0,0,0|4,0,0]=4 812 B11R0.148 COCCOCNCCC(=O)N 56cf92f6f29fae8a24d9e53285da0d97 [0,0,0,0,0,0|4,0,0]=4 813 B11R0.148 COCCOCNCCC(=O)O bbab7e153f20ab9667338eaaa08e1901 [0,0,0,0,0,0|3,0,0]=3 814 B11R0.148 COCCOCNCCS(=O)O 3e3a598070363677a17745e6d68030a6 [0,0,0,0,0,0|4,0,0]=4 815 B11R0.148 COCCOCOCCC(=O)C 02405d31917fb2ad2a69caba85148fc0 [0,0,0,0,0,0|4,0,0]=4 816 B11R0.148 COCCOCOCCC(=O)N 9a30a93b302ac450eff8fb89d5164642 [0,0,0,0,0,0|4,0,0]=4 817 B11R0.148 COCCOCOCCC(=O)O 5772da795f93dea9920f6ebf20f57b11 [0,0,0,0,0,0|3,0,0]=3 818 B11R0.148 COCNCCCCCC(=O)N 3e0d2fc5909731ebfd66c780a541df66 [0,0,0,0,0,0|3,0,0]=3 819 B11R0.148 COCNCCCCCC(=O)O b84fb7ca56aca6e16d69f0a227ea45a4 [0,0,0,0,0,0|2,0,0]=2 820 B11R0.148 COCNCCCCNC(=O)C 6c41f33a8a225d8cfddb33222ee23eb6 [0,0,0,0,0,0|4,0,0]=4 821 B11R0.148 COCNCCOCCC(=O)O be54a5a5d98338d49fd427bec81e53b6 [0,0,0,0,0,0|3,0,0]=3 822 B11R0.148 COCOCCCCCC(=O)C 8894b132b8e9272b0a87d56a7ee0b630 [0,0,0,0,0,0|3,0,0]=3 823 B11R0.148 COCOCCCCCC(=O)N 07ed3ae14bcd126283d6dac98a51ed7c [0,0,0,0,0,0|3,0,0]=3 824 B11R0.148 COCOCCCCCC(=O)O 3afdcf882d4b857d276025b0908b1b82 [0,0,0,0,0,0|2,0,0]=2 825 B11R0.148 COCOCCCCOC(=O)C 6fdd835d01665c5e6850b1bfca035e21 [0,0,0,0,0,0|4,0,0]=4 826 B11R0.148 COCOCCCCSC(=O)C e9fd7595bb5c0a66d63ad5a1220056a2 [0,0,0,0,0,0|4,0,0]=4 827 B11R0.148 COCOCCCOCC(=O)O c8bb76e993d272da528ebe3f15d68bd5 [0,0,0,0,0,0|3,0,0]=3 828 B11R0.148 COCOCCNCCC(=O)N a3ee4693150690df0af8e9c3df9f8fcd [0,0,0,0,0,0|4,0,0]=4 829 B11R0.148 COCOCCNCCC(=O)O 6a66c9967cc151f65e8c0d2128356100 [0,0,0,0,0,0|3,0,0]=3 830 B11R0.148 COCOCCNCCS(=O)O be304999f6dea4f9d9b5042e5720705f [0,0,0,0,0,0|4,0,0]=4 831 B11R0.148 COCOCCOCCC(=O)C 1d66549ffbaa6776500fb39c5c12b326 [0,0,0,0,0,0|4,0,0]=4 832 B11R0.148 COCOCCOCCC(=O)N 0447f7c9cdf731172556fa709ade632d [0,0,0,0,0,0|4,0,0]=4 833 B11R0.148 COCOCCOCCC(=O)O 2ad8c40c4a4ec91bd2a1689455e9cdb7 [0,0,0,0,0,0|3,0,0]=3 834 B11R0.148 CS(=O)CCCNCCCCF 40299da30668487961f60001a1255368 [0,0,0,0,0,0|4,0,0]=4 835 B11R0.148 CS(=O)CCCNCCCCO 69593a360094bc482e161e00d0d5933e [0,0,0,0,0,0|4,0,0]=4 836 B11R0.148 CS(=O)CCNCCCCCCl 19eb2eb3c3648a6201eb963406dabc37 [0,0,0,0,0,0|4,0,0]=4 837 B11R0.148 CS(=O)CCNCCCCCF bd9c3c8cf93fd414fe0dfb2b1bdacec1 [0,0,0,0,0,0|4,0,0]=4 838 B11R0.148 CS(=O)CCNCCCCCO e6185785b0222db44e4aec754b1f81b1 [0,0,0,0,0,0|4,0,0]=4 839 B11R0.148 CS(=O)CCOCCCCCF 4eb7eaf39036813a49075047d0e73c50 [0,0,0,0,0,0|4,0,0]=4 840 B11R0.148 CSCCCCNCCC(=O)C 1f7db8bdc8277aba598a98a9c4ce4908 [0,0,0,0,0,0|3,0,0]=3 841 B11R0.148 CSCCCCNCCC(=O)N 4dd0d855e58cae245d159571d6ba86cd [0,0,0,0,0,0|3,0,0]=3 842 B11R0.148 CSCCCCNCCC(=O)O 9409e81796fd35b2e0b4559edafca006 [0,0,0,0,0,0|2,0,0]=2 843 B11R0.148 CSCCCCNCCC(C)O a4b41d79bf57e3a71d4b41a1535d977e [0,0,0,0,0,0|3,0,1]=4 844 B11R0.148 CSCCCCNCCS(=O)C f955e6535dee2a8362199a62879d9a96 [0,0,0,0,0,0|4,0,0]=4 845 B11R0.148 CSCCCCNCOC(=O)C 0e28146924cc4abbdc42f0857a6317dc [0,0,0,0,0,0|4,0,0]=4 846 B11R0.148 CSCCCCNCSC(=O)N f6d40d102cceba8e1df2f51e492d5fac [0,0,0,0,0,0|4,0,0]=4 847 B11R0.148 CSCCCCOCCC(=O)C 9eb1c820143deb28ccbdac5fefd19556 [0,0,0,0,0,0|3,0,0]=3 848 B11R0.148 CSCCCCOCCC(=O)N dbc3a4092eba73152ad21bef2d70031b [0,0,0,0,0,0|3,0,0]=3 849 B11R0.148 CSCCCCOCCC(=O)O 098451fe3919d093232420bf266192f1 [0,0,0,0,0,0|2,0,0]=2 850 B11R0.148 CSCCCCOCCS(=O)C 4c6bbfb9c9065882070b4601908a51d3 [0,0,0,0,0,0|4,0,0]=4 851 B11R0.148 CSCCCCOCOC(=O)C 11bafcbc086b124dd47336155ed036eb [0,0,0,0,0,0|4,0,0]=4 852 B11R0.148 CSCCCCOCSC(=O)N 6057c518d609fcdc5d030b0d8298dc12 [0,0,0,0,0,0|4,0,0]=4 853 B11R0.148 CSCCCNC/C=C/C(=O)O bcbf55149061f62ba5092a3b145b7f09 [0,0,0,0,0,0|2,0,2]=4 854 B11R0.148 CSCCCNCC#CC(=O)O 18eb40cdd2b3b013a96a5299191fe72d [0,0,0,0,0,0|2,0,2]=4 855 B11R0.148 CSCCCNCC=CC(=O)O 5b844784e907b9c75f027b3c84adbd0c [0,0,0,0,0,0|2,0,2]=4 856 B11R0.148 CSCCCNCCCC(=O)C 22c2a84284aa7fbe7690e72ac77f3f99 [0,0,0,0,0,0|3,0,0]=3 857 B11R0.148 CSCCCNCCCC(=O)N 47d7889b3983591ca5fa6b39511cbc77 [0,0,0,0,0,0|3,0,0]=3 858 B11R0.148 CSCCCNCCCC(=O)O 8c251662d46bbe64d437e9d1f67bd41a [0,0,0,0,0,0|2,0,0]=2 859 B11R0.148 CSCCCNCCCC(C)O 0d872fa43229a3d0574f0ec04a5d0878 [0,0,0,0,0,0|3,0,1]=4 860 B11R0.148 CSCCCNCCCS(=O)C 082e555abb8ee07d45fa041ea7f517d1 [0,0,0,0,0,0|4,0,0]=4 861 B11R0.148 CSCCCNCCC[N+](=O)[O-] 25b19a5b67633e70e1a670827ae48a01 [0,0,0,0,0,0|3,0,1]=4 862 B11R0.148 CSCCCNCCNC(=O)C 68a8a5039dfed0a41547b1fa691c6376 [0,0,0,0,0,0|4,0,0]=4 863 B11R0.148 CSCCCNCCNC(=O)N 5c9852343bb22e13372a4cd6bb35b422 [0,0,0,0,0,0|4,0,0]=4 864 B11R0.148 CSCCCNCCOC(=O)C 48b9df2f7633fdf8b63c01a70ad418ce [0,0,0,0,0,0|4,0,0]=4 865 B11R0.148 CSCCCNCCSC(=O)C 4f95310843a94b4bc352019fa97461c1 [0,0,0,0,0,0|4,0,0]=4 866 B11R0.148 CSCCCOC/C=C/C(=O)O 8a99058dad6da5c274e4fd085728717d [0,0,0,0,0,0|2,0,2]=4 867 B11R0.148 CSCCCOCC#CC(=O)O a8e5f9e68dcd047543bd2f76486130ee [0,0,0,0,0,0|2,0,2]=4 868 B11R0.148 CSCCCOCC=CC(=O)O f2fcb73ed65b6922499affeea35fdfd5 [0,0,0,0,0,0|2,0,2]=4 869 B11R0.148 CSCCCOCCCC(=O)C 5468e78dba08221c943b6f4f7653f163 [0,0,0,0,0,0|3,0,0]=3 870 B11R0.148 CSCCCOCCCC(=O)N 7d3fb507284e5af4b512ff6e4a524af2 [0,0,0,0,0,0|3,0,0]=3 871 B11R0.148 CSCCCOCCC[N+](=O)[O-] 542ed4434cef1ca08c5388bf519943da [0,0,0,0,0,0|3,0,1]=4 872 B11R0.148 CSCCCOCCNC(=O)C ee2c88601162ded3a09b4454af81913d [0,0,0,0,0,0|4,0,0]=4 873 B11R0.148 CSCCCOCCNC(=O)N da4a8f6b993d6adc8f1803812abf98ae [0,0,0,0,0,0|4,0,0]=4 874 B11R0.148 CSCCCOCCOC(=O)C c1f4b7e88b1ca776c50b8600e625a794 [0,0,0,0,0,0|4,0,0]=4 875 B11R0.148 CSCCCOCCSC(=O)C f89a86b1a296d3280e51ad86c4d98254 [0,0,0,0,0,0|4,0,0]=4 876 B11R0.148 CSCCNCCCCC(=O)C a38fe99fe24381b306612176189b7551 [0,0,0,0,0,0|3,0,0]=3 877 B11R0.148 CSCCNCCCCC(=O)N 06f3f571524ce4eefb1c87affcec6672 [0,0,0,0,0,0|3,0,0]=3 878 B11R0.148 CSCCNCCCCC(=O)O 0ac653ab402a0b6c32997eff60de279c [0,0,0,0,0,0|2,0,0]=2 879 B11R0.148 CSCCNCCCCC(C)O cba11288cf4a8f8c7d5c3a9c35d3039d [0,0,0,0,0,0|3,0,1]=4 880 B11R0.148 CSCCNCCCC[C@@H](C)O acf1c268ee0508a9d39a2e6344a8070a [0,0,0,0,0,0|3,0,1]=4 881 B11R0.148 CSCCNCCCNC(=O)C a458659672c61c844a585c9c0b37b38a [0,0,0,0,0,0|4,0,0]=4 882 B11R0.148 CSCCNCCCOC(=O)C 78cc590e4e3c4c3346ba24307b761e84 [0,0,0,0,0,0|4,0,0]=4 883 B11R0.148 CSCCNCCCSC(=O)C 32744ef3b25314e4c73ec5478b056f3e [0,0,0,0,0,0|4,0,0]=4 884 B11R0.148 CSCCNCCOCC(=O)N 10d7267f40571e2eb050257cdbffe68d [0,0,0,0,0,0|4,0,0]=4 885 B11R0.148 CSCCNCCOCC(=O)O 6c96be9e65b19a58136170da98d1dae9 [0,0,0,0,0,0|3,0,0]=3 886 B11R0.148 CSCCNCCSCC(=O)O 097c3b582529e35100ba182304150a64 [0,0,0,0,0,0|3,0,0]=3 887 B11R0.148 CSCCOCCC#CC(=O)O 94754363d9fd2f09828e736e8ba8f23e [0,0,0,0,0,0|2,0,2]=4 888 B11R0.148 CSCCOCCCCC(=O)C 47a2d2ae2f15bfafe11ae3359b2de694 [0,0,0,0,0,0|3,0,0]=3 889 B11R0.148 CSCCOCCCCC(=O)N 5f77339468c72b4a2fce895b8fb41a2c [0,0,0,0,0,0|3,0,0]=3 890 B11R0.148 CSCCOCCCCC(=O)O f3fe1c8d2ae8384b166b285c6df10be0 [0,0,0,0,0,0|2,0,0]=2 891 B11R0.148 CSCCOCCCC[N+](=O)[O-] 31e8ecc18240d5c3e648a145cd2e1db5 [0,0,0,0,0,0|3,0,1]=4 892 B11R0.148 CSCCOCCCNC(=O)C d2838451f4b8ca5531a2d6ec811cd0f2 [0,0,0,0,0,0|4,0,0]=4 893 B11R0.148 CSCCOCCCOC(=O)C cd73c010e4450dd9732fbf95fcfd8359 [0,0,0,0,0,0|4,0,0]=4 894 B11R0.148 CSCCOCCCSC(=O)C a0d65463038890c0cf07bd27b340d5d7 [0,0,0,0,0,0|4,0,0]=4 895 B11R0.148 CSCCOCCOCC(=O)N b0a360f7a9ecbeb610429b50afd6a3f3 [0,0,0,0,0,0|4,0,0]=4 896 B11R0.148 CSCCOCCOCC(=O)O 57299f061059627091b9f9a48ab17d8f [0,0,0,0,0,0|3,0,0]=3 897 B11R0.148 CSCCOCCSCC(=O)N 3c8a12b4bd92f6dcb375c60e198ca05d [0,0,0,0,0,0|4,0,0]=4 898 B11R0.148 CSCNCCCCCC(=O)N 00c863b0511ae6d61381c78728bb42eb [0,0,0,0,0,0|3,0,0]=3 899 B11R0.148 CSCNCCCCCC(=O)O 26d2736a3f2658d831b221671ef27c2e [0,0,0,0,0,0|2,0,0]=2 900 B11R0.148 CSCNCCCCNC(=O)C e0dcdc458e0437b526bba76300100f9b [0,0,0,0,0,0|4,0,0]=4 901 B11R0.148 CSCNCCOCCC(=O)O 5fe9043a8395e1eaaf3d18dac6cf4340 [0,0,0,0,0,0|3,0,0]=3 902 B11R0.148 CSCOCCCCCC(=O)N 6c92460901d402968b41c312d5b4abd4 [0,0,0,0,0,0|3,0,0]=3 903 B11R0.148 CSCOCCCCCC(=O)O 310637b1b9fac0b1bb35b90b669b7b82 [0,0,0,0,0,0|2,0,0]=2 904 B11R0.148 CSCOCCCCOC(=O)C 8a6963cffdd58c524de2ea378697a759 [0,0,0,0,0,0|4,0,0]=4 905 B11R0.148 CSCOCCOCCC(=O)O 923a5b3a9a408bcf0694efdbe730935d [0,0,0,0,0,0|3,0,0]=3 906 B11R0.148 C[C@@H](O)CCCCNCCCCl f8189c1ec7c682797fb0ab04f549b79c [0,0,0,0,0,0|3,0,1]=4 907 B11R0.148 C[C@@H](O)CCCCNCCCO 783f0910fd9a7305a3b3999e4f1a242f [0,0,0,0,0,0|3,0,1]=4 908 B11R0.148 C[C@@H](O)CCNCCCCCF 4838cef28426dd8ec31647e48b9e845e [0,0,0,0,0,0|3,0,1]=4 909 B11R0.148 C[C@@H](O)CCNCCCCCO b13471bd516df4bd2bedb25c936c8159 [0,0,0,0,0,0|3,0,1]=4 910 B11R0.148 C[C@@H](O)CNCCCCCCCl 161f5eda601f36af3685ec75b9bde82e [0,0,0,0,0,0|3,0,1]=4 911 B11R0.148 C[C@@H](O)CNCCCCCCF ecc51158952d06574fe03a76865c685f [0,0,0,0,0,0|3,0,1]=4 912 B11R0.148 C[C@@H](O)CNCCCCCCO 2408f53f8ed8549405bf9c3a948ce3d5 [0,0,0,0,0,0|3,0,1]=4 913 B11R0.148 C[C@H](O)CCNCCCCCF 975ab0ec650e5067c586bb3c4060578e [0,0,0,0,0,0|3,0,1]=4 914 B11R0.148 C[C@H](O)CCNCCCCCO 42357ac6f4fcddf5586a4fd9971d1d01 [0,0,0,0,0,0|3,0,1]=4 915 B11R0.148 C[C@H](O)CNCCCCCCCl 1d8263afe3616d65467e105439de38a2 [0,0,0,0,0,0|3,0,1]=4 916 B11R0.148 C[C@H](O)CNCCCCCCF bb876a35baaddf7c75c2f1cb4598af14 [0,0,0,0,0,0|3,0,1]=4 917 B11R0.148 C[C@H](O)CNCCCCCCO 643e793020ae7e33277250873fb00f80 [0,0,0,0,0,0|3,0,1]=4 918 B11R0.148 N#CCCCCCNCC(=O)N 19b3bf6f77ad056159c168baf3eebbc9 [0,0,0,0,0,0|3,0,1]=4 919 B11R0.148 N#CCCCCCNCC(=O)O 1bf499029f5dc5eea2b959a114cd3b1d [0,0,0,0,0,0|2,0,1]=3 920 B11R0.148 N#CCCCCCOCC(=O)N ff885f87f5695731a8573eb7eea7a498 [0,0,0,0,0,0|3,0,1]=4 921 B11R0.148 N#CCCCCCOCC(=O)O 679193cfeb5b6c38f78e0c62c7127cef [0,0,0,0,0,0|2,0,1]=3 922 B11R0.148 N#CCCCCCOCS(=O)O 5cb67f66e43c860e22fd2417a856a4e7 [0,0,0,0,0,0|3,0,1]=4 923 B11R0.148 N#CCCCCNCCC(=O)N 16a00d42fff9e07f7ecea6aedf72c743 [0,0,0,0,0,0|3,0,1]=4 924 B11R0.148 N#CCCCCNCCC(=O)O 087ba8fa4230d1b3b3c497e2dc44abae [0,0,0,0,0,0|2,0,1]=3 925 B11R0.148 N#CCCCCNCCS(=O)O d7e99ff3dd85173b01b5102a9f3f1ffd [0,0,0,0,0,0|3,0,1]=4 926 B11R0.148 N#CCCCCOCCC(=O)N 8f89376cda5075cb3e67fdffb008d02b [0,0,0,0,0,0|3,0,1]=4 927 B11R0.148 N#CCCCCOCCC(=O)O 34c54ff37c497a81d69f0b04bf43e644 [0,0,0,0,0,0|2,0,1]=3 928 B11R0.148 N#CCCCNCCCC(=O)N d5f0c679a75421ea5eff7a1714ffc1b0 [0,0,0,0,0,0|3,0,1]=4 929 B11R0.148 N#CCCCNCCCC(=O)O 5ed20f59e53452a591e4d29e95b42c6d [0,0,0,0,0,0|2,0,1]=3 930 B11R0.148 N#CCCCOCCCC(=O)N 2077037452741945c95726d47c9255f5 [0,0,0,0,0,0|3,0,1]=4 931 B11R0.148 N#CCCNCCCCC(=O)N 3d7baaea045c512d2c314a2b4776b083 [0,0,0,0,0,0|3,0,1]=4 932 B11R0.148 N#CCCNCCCCC(=O)O e3e746e96d067b4d6657621fc248dbef [0,0,0,0,0,0|2,0,1]=3 933 B11R0.148 N#CCCNCCOCC(=O)O 751b7abda64e72c20422b5212f6cb8e8 [0,0,0,0,0,0|3,0,1]=4 934 B11R0.148 N#CCCNCCSCC(=O)O 7b0bf946fc9eb418ed0e3fa593f91f7d [0,0,0,0,0,0|3,0,1]=4 935 B11R0.148 N#CCCOCCCCC(=O)N 080f32fab30836918d9ae980c3c98962 [0,0,0,0,0,0|3,0,1]=4 936 B11R0.148 N#CCCOCCCCC(=O)O 37138af8b8fa4f740ccc5bd60e0d9082 [0,0,0,0,0,0|2,0,1]=3 937 B11R0.148 N#CCCOCCOCC(=O)O 20197720be2a20ae63c59197e524288b [0,0,0,0,0,0|3,0,1]=4 938 B11R0.148 N#CCNCCCCCC(=O)N a14680dad7e19798aa301699cd1db545 [0,0,0,0,0,0|3,0,1]=4 939 B11R0.148 N#CCNCCCCCC(=O)O a0b7af87735dcbe4e735980121169cfa [0,0,0,0,0,0|2,0,1]=3 940 B11R0.148 N#CCNCCCOCC(=O)O 9afbbad47e4c3469031cc922de00456a [0,0,0,0,0,0|3,0,1]=4 941 B11R0.148 N#CCNCCOCCC(=O)O c0eb2adedae2dc9dc21160eed309691c [0,0,0,0,0,0|3,0,1]=4 942 B11R0.148 N#CCOCCCCCC(=O)N e969099dea7a81e5f47d54c94ae6eb05 [0,0,0,0,0,0|3,0,1]=4 943 B11R0.148 N#CCOCCCCCC(=O)O f59c3d9d12d8bb96941eb6884b2ecde7 [0,0,0,0,0,0|2,0,1]=3 944 B11R0.148 N#CCOCCCOCC(=O)O 602383497d5fed15cc2d6b1626358337 [0,0,0,0,0,0|3,0,1]=4 945 B11R0.148 N#CCOCCNCCC(=O)O 7b88908ffda447d93a57d2bdb8e4d28a [0,0,0,0,0,0|3,0,1]=4 946 B11R0.148 N#CCOCCOCCC(=O)O 3e9ad67bc59e60da0d3a23ef72f29ee1 [0,0,0,0,0,0|3,0,1]=4 947 B11R0.148 N#CSCOCCCCC(=O)O 1f92e38548d85c319d1a8fcbfc5fab88 [0,0,0,0,0,0|3,0,1]=4 948 B11R0.148 NC(=O)CCCCCCOCF 5912a90813a22a252124d79603e67eeb [0,0,0,0,0,0|3,0,0]=3 949 B11R0.148 NC(=O)CCCCCNCC=O 433be4a88746ec6b3fd1f3f7186e4d5d [0,0,0,0,0,0|3,0,1]=4 950 B11R0.148 NC(=O)CCCCCNCCBr 4cc95e8fd24244de2a7953165e679787 [0,0,0,0,0,0|3,0,0]=3 951 B11R0.148 NC(=O)CCCCCNCCF db1c38623aef4f75b1379fc269f55ba1 [0,0,0,0,0,0|3,0,0]=3 952 B11R0.148 NC(=O)CCCCCNCCI e88fc17de8fa64897e7b36800caba9d1 [0,0,0,0,0,0|3,0,0]=3 953 B11R0.148 NC(=O)CCCCCNCCO 676d36a100eb1cca293efa0d8eec14c7 [0,0,0,0,0,0|3,0,0]=3 954 B11R0.148 NC(=O)CCCCCNCCS 30c087a43e3fe380d6293d406d2c653b [0,0,0,0,0,0|3,0,0]=3 955 B11R0.148 NC(=O)CCCCCOCC=O 7aefdb55de8dc879f17023eb9ccb8a4d [0,0,0,0,0,0|3,0,1]=4 956 B11R0.148 NC(=O)CCCCCOCCF 536d6402fa848dd7bc96ccb71d509acf [0,0,0,0,0,0|3,0,0]=3 957 B11R0.148 NC(=O)CCCCCOCCS 82f2d047583d437871872c1d2f5c5fb7 [0,0,0,0,0,0|3,0,0]=3 958 B11R0.148 NC(=O)CCCCNCCC=O a914630748fa31f30156146f84c0bce8 [0,0,0,0,0,0|3,0,1]=4 959 B11R0.148 NC(=O)CCCCNCCCCl c69a6c609e601cc521d945a717421b4f [0,0,0,0,0,0|3,0,0]=3 960 B11R0.148 NC(=O)CCCCNCCCF f8a64426d37eea6493858e282e42a11c [0,0,0,0,0,0|3,0,0]=3 961 B11R0.148 NC(=O)CCCCNCCCO 20f2a9509c580205b29d9ee0a7ccb454 [0,0,0,0,0,0|3,0,0]=3 962 B11R0.148 NC(=O)CCCCNCCCS 546a28f163a4f3de6f5e792c134c5828 [0,0,0,0,0,0|3,0,0]=3 963 B11R0.148 NC(=O)CCCCOCCC=O a0996701850bae960e53316f644a555f [0,0,0,0,0,0|3,0,1]=4 964 B11R0.148 NC(=O)CCCCOCCCF 20d052fe0c2ffdfa693ff94ce3087a74 [0,0,0,0,0,0|3,0,0]=3 965 B11R0.148 NC(=O)CCCCOCCCS 25ace9e1542d548bb5d0d23c164a887a [0,0,0,0,0,0|3,0,0]=3 966 B11R0.148 NC(=O)CCCNCCCC=O de2f3abd95b16c8552e8a2346aa2a47e [0,0,0,0,0,0|3,0,1]=4 967 B11R0.148 NC(=O)CCCNCCCCCl fdfb490e683e5bd92dac8295b169f8f5 [0,0,0,0,0,0|3,0,0]=3 968 B11R0.148 NC(=O)CCCNCCCCF 84c2fc981a0d8c63fb569de5cce6377f [0,0,0,0,0,0|3,0,0]=3 969 B11R0.148 NC(=O)CCCNCCCCO 8bfcde3cf3cc139a16cdde6d352acb46 [0,0,0,0,0,0|3,0,0]=3 970 B11R0.148 NC(=O)CCCNCCCCS f0ad94ef0f1d660773bff0d890fbcae6 [0,0,0,0,0,0|3,0,0]=3 971 B11R0.148 NC(=O)CCCOCCCC=O 7834e9b2e72242ea47febb183ca16422 [0,0,0,0,0,0|3,0,1]=4 972 B11R0.148 NC(=O)CCCOCCCCF facbf834bb753e13c1cf5d08e0c79d3b [0,0,0,0,0,0|3,0,0]=3 973 B11R0.148 NC(=O)CCCOCCCCS 015cd073cacedef6f76994cac1ed249b [0,0,0,0,0,0|3,0,0]=3 974 B11R0.148 NC(=O)CCNCCCCC=O f72150e97344b5481fcfaec7a791a7f1 [0,0,0,0,0,0|3,0,1]=4 975 B11R0.148 NC(=O)CCNCCCCCCl 7e203effe8696849f54942b2d9c25d40 [0,0,0,0,0,0|3,0,0]=3 976 B11R0.148 NC(=O)CCNCCCCCF 7a247e3fce618c1e885f2ac4bd736c7f [0,0,0,0,0,0|3,0,0]=3 977 B11R0.148 NC(=O)CCNCCCCCO d4108848428ef3c6a600ec7dba42db55 [0,0,0,0,0,0|3,0,0]=3 978 B11R0.148 NC(=O)CCNCCOCCO d3a3fb849d0b2bf68486a7e1a8b6dd4d [0,0,0,0,0,0|4,0,0]=4 979 B11R0.148 NC(=O)CCNCCOCCS 7722f9e3b4127f6482050f31d943b27d [0,0,0,0,0,0|4,0,0]=4 980 B11R0.148 NC(=O)CCNCCSCCO 7843f89069a6550d219d3cedff461e71 [0,0,0,0,0,0|4,0,0]=4 981 B11R0.148 NC(=O)CCOCCCCC=O ff0e9e8d325a3bccf30e38d08cae0026 [0,0,0,0,0,0|3,0,1]=4 982 B11R0.148 NC(=O)CCOCCCCCF 00a733452876517b4da265e170bc7bbd [0,0,0,0,0,0|3,0,0]=3 983 B11R0.148 NC(=O)CCOCCOCCF a0d563b14af09dc06e753821ab9a3d46 [0,0,0,0,0,0|4,0,0]=4 984 B11R0.148 NC(=O)CCOCCOCCS 9fd195d564e26aaf4517a35764e8b823 [0,0,0,0,0,0|4,0,0]=4 985 B11R0.148 NC(=O)CCSCCCNCF 3969f72b74f3e49e93b54ef6cba348ba [0,0,0,0,0,0|4,0,0]=4 986 B11R0.148 NC(=O)CCSCCCNCO 503167e9f5ed4d0848fefb762fb82eb9 [0,0,0,0,0,0|4,0,0]=4 987 B11R0.148 NC(=O)CNCCCCCC=O 56f80da7b354772ffe29a9cee4f3c583 [0,0,0,0,0,0|3,0,1]=4 988 B11R0.148 NC(=O)CNCCCCCCCl 262e224afd9a8ca40fdeb1d245ad5407 [0,0,0,0,0,0|3,0,0]=3 989 B11R0.148 NC(=O)CNCCCCCCF 3fa65816c27386354d646980a6113507 [0,0,0,0,0,0|3,0,0]=3 990 B11R0.148 NC(=O)CNCCCCCCO 6f432ee9a5143b26f833302f9e4d6881 [0,0,0,0,0,0|3,0,0]=3 991 B11R0.148 NC(=O)CNCCCOCCO e37de4463397f8a203216229e3b38656 [0,0,0,0,0,0|4,0,0]=4 992 B11R0.148 NC(=O)CNCCOCCCO ec95d841091d9415313633785ed8b048 [0,0,0,0,0,0|4,0,0]=4 993 B11R0.148 NC(=O)COCCCCCC=O 080ce4e04703a90e38590d017a0db063 [0,0,0,0,0,0|3,0,1]=4 994 B11R0.148 NC(=O)COCCCCCCF dbced36028a89e27b9638aa57d1b522d [0,0,0,0,0,0|3,0,0]=3 995 B11R0.148 NC(=O)COCCCCCCS f50384597f9f1096fdb1d0d3409d446b [0,0,0,0,0,0|3,0,0]=3 996 B11R0.148 NC(=O)COCCNCCCCl 7c674f777bd3d26b236124a59872a6fa [0,0,0,0,0,0|4,0,0]=4 997 B11R0.148 NC(=O)COCCNCCCO c90ae404518ba2fb4370babaee9b51eb [0,0,0,0,0,0|4,0,0]=4 998 B11R0.148 NC(=O)COCCOCCCF 7d8afc072eaab446a13af896460cce18 [0,0,0,0,0,0|4,0,0]=4 999 B11R0.148 NC(=O)COCCOCCCS acd76e95d92d45f976b01b7f49cdd768 [0,0,0,0,0,0|4,0,0]=4 1000 B11R0.148 NC(=O)CSCCOCCCF 92bd8c11e00daac433d291194b5229d4 [0,0,0,0,0,0|4,0,0]=4 1001 B11R0.148 NC(=O)CSCCOCCCS 8631469d4af442fb197fa609450d1a5c [0,0,0,0,0,0|4,0,0]=4 1002 B11R0.148 NC(=O)NCCNCCCCCl a8cf6f7187f0935ac5ecd72ee7a5f770 [0,0,0,0,0,0|4,0,0]=4 1003 B11R0.148 NC(=O)NCCNCCCCO 6facaad14083fbee403bfeef7d701d32 [0,0,0,0,0,0|4,0,0]=4 1004 B11R0.148 NC(=O)NCCNCCCCS a85edbd02c3c0458eb3b596d929b7026 [0,0,0,0,0,0|4,0,0]=4 1005 B11R0.148 NC(=O)NCCOCCCCF 8b4b62202d3b363b72f855df626a3347 [0,0,0,0,0,0|4,0,0]=4 1006 B11R0.148 NC(=O)NCCOCCCCS b88ddaccdde930767cf0c30a5474b9f4 [0,0,0,0,0,0|4,0,0]=4 1007 B11R0.148 NC(=O)NCOCCCCCF c423bcc7d2d9bad3d16f679b26c2485c [0,0,0,0,0,0|4,0,0]=4 1008 B11R0.148 NC(=O)SCNCCCCCCl e59892943b219f605ea289d8ff127d36 [0,0,0,0,0,0|4,0,0]=4 1009 B11R0.148 NC(=O)SCNCCCCCO 9ed8e69459a7f2c32d4f2c2224550603 [0,0,0,0,0,0|4,0,0]=4 1010 B11R0.148 NC(=S)CCNCCCCCF 20e642d965fcd3a8abce22124b74953a [0,0,0,0,0,0|3,1,0]=4 1011 B11R0.148 NC(=S)CCNCCCCCO 1001fce03c4bbf7a5d15fcb27c3a6e9d [0,0,0,0,0,0|3,1,0]=4 1012 B11R0.148 NC(=S)COCCCCCCF feac3f5c133803ba5a8c375f47d77f23 [0,0,0,0,0,0|3,1,0]=4 1013 B11R0.148 NOCCCCNCCC(=O)N 2cbb00a84387ddee41e737834569ea92 [0,0,0,0,0,0|4,0,0]=4 1014 B11R0.148 NOCCCCNCCC(=O)O 5fa440e68fe224bdab95dba0009736ef [0,0,0,0,0,0|3,0,0]=3 1015 B11R0.148 NOCCCCNCCS(=O)O 2b5d2655e48557630fd19ecae2df3d94 [0,0,0,0,0,0|4,0,0]=4 1016 B11R0.148 NOCCNCCCCC(=O)N 79d6510d4108c386accec3bf00f44044 [0,0,0,0,0,0|4,0,0]=4 1017 B11R0.148 NOCCNCCOCC(=O)O b3b8d260485aace14f1fef7c06258753 [0,0,0,0,0,0|4,0,0]=4 1018 B11R0.148 NOCCOCCNCC(=O)O b92b277f6e42120f998ad68674acfad8 [0,0,0,0,0,0|4,0,0]=4 1019 B11R0.148 O=C(O)/C=C/CNCCCCCl 0912bc0773986e5e1969c4a27bfdc07d [0,0,0,0,0,0|2,0,2]=4 1020 B11R0.148 O=C(O)/C=C/CNCCCCF 56f266d3a3f5fc5062552b4562e58214 [0,0,0,0,0,0|2,0,2]=4 1021 B11R0.148 O=C(O)/C=C/CNCCCCO 140b7288993f12dd80a706b21f40cfe1 [0,0,0,0,0,0|2,0,2]=4 1022 B11R0.148 O=C(O)/C=C/CNCCCCS fa83bbbbf41924ec133d28fec3c82b6c [0,0,0,0,0,0|2,0,2]=4 1023 B11R0.148 O=C(O)/C=C/COCCCCF 2a0c15a229f94b052b34765fd25399ce [0,0,0,0,0,0|2,0,2]=4 1024 B11R0.148 O=C(O)/C=C/COCCCCS 7686fa9506a78f47326a649578bd5bdd [0,0,0,0,0,0|2,0,2]=4 1025 B11R0.148 O=C(O)C#CCCOCCCF 09e8201f6a4330ce1d0f6b8c332997ed [0,0,0,0,0,0|2,0,2]=4 1026 B11R0.148 O=C(O)C#CCCOCCCS 5e6ac1a283f31a4fd8181a75ab632281 [0,0,0,0,0,0|2,0,2]=4 1027 B11R0.148 O=C(O)C#CCNCCCCF c1bcb694da981a0c8f70b99a6d94fbb3 [0,0,0,0,0,0|2,0,2]=4 1028 B11R0.148 O=C(O)C#CCNCCCCO 1950808cdbf80c86ca07802118033cb6 [0,0,0,0,0,0|2,0,2]=4 1029 B11R0.148 O=C(O)C#CCOCCCCF 7fb6e349aabdb2cf44121b2c104e0609 [0,0,0,0,0,0|2,0,2]=4 1030 B11R0.148 O=C(O)C=CCNCCCCCl 2297d9d87a648c4f9e8dec1f5784c06e [0,0,0,0,0,0|2,0,2]=4 1031 B11R0.148 O=C(O)C=CCNCCCCF b8af6c31e93fc6a20cd870d2837c5a2e [0,0,0,0,0,0|2,0,2]=4 1032 B11R0.148 O=C(O)C=CCNCCCCO 67026ef18bd90b4ddc10eaf215e2d38e [0,0,0,0,0,0|2,0,2]=4 1033 B11R0.148 O=C(O)C=CCNCCCCS ad2c43b1e490be01d5c3abc384dbbb20 [0,0,0,0,0,0|2,0,2]=4 1034 B11R0.148 O=C(O)C=CCOCCCCF c24ad3c8a0b1dcdb479219d723f0079f [0,0,0,0,0,0|2,0,2]=4 1035 B11R0.148 O=C(O)C=CCOCCCCS 1def563d19219a1128f275fb94d561ac [0,0,0,0,0,0|2,0,2]=4 1036 B11R0.148 O=C(O)CCCCCCNCF f40d7d9383d25faaad314796ef21d5fa [0,0,0,0,0,0|2,0,0]=2 1037 B11R0.148 O=C(O)CCCCCCNCO bb916ffc83ea8180940d031c988dc3e8 [0,0,0,0,0,0|2,0,0]=2 1038 B11R0.148 O=C(O)CCCCCCOCF 34a8de1dbb8755f9b03d4a6b70818343 [0,0,0,0,0,0|2,0,0]=2 1039 B11R0.148 O=C(O)CCCCCNCCF 2d0f7bc155a9f9712fc1930088d2f57c [0,0,0,0,0,0|2,0,0]=2 1040 B11R0.148 O=C(O)CCCCCNCCI 62e1c302fb46da9866e1e9dc257f5926 [0,0,0,0,0,0|2,0,0]=2 1041 B11R0.148 O=C(O)CCCCCNCCO 2f78bb25755cc91c2b83437fc93f8565 [0,0,0,0,0,0|2,0,0]=2 1042 B11R0.148 O=C(O)CCCCCNCCS 55708f3b44e02e5d397a9462463fa60e [0,0,0,0,0,0|2,0,0]=2 1043 B11R0.148 O=C(O)CCCCCOCCF c4ba4a4cd61bb822bfb7152b22c894c0 [0,0,0,0,0,0|2,0,0]=2 1044 B11R0.148 O=C(O)CCCCCOCCS 54daf2b20e1360245c618c055d3b8324 [0,0,0,0,0,0|2,0,0]=2 1045 B11R0.148 O=C(O)CCCCNC/C=C/Cl 09b49ab53889815501a3307629eef197 [0,0,0,0,0,0|2,0,2]=4 1046 B11R0.148 O=C(O)CCCCNC/C=C\Cl 797cc9ca93591484a80a0460ebf54706 [0,0,0,0,0,0|2,0,2]=4 1047 B11R0.148 O=C(O)CCCCNC/C=C\O 47dc84050f8b5898e23101e28c801c4e [0,0,0,0,0,0|2,0,2]=4 1048 B11R0.148 O=C(O)CCCCNCCCCl 7dfa60a025efa69ce573a4155dc51275 [0,0,0,0,0,0|2,0,0]=2 1049 B11R0.148 O=C(O)CCCCNCCCF cb609b243fe2249daace5aa4fc3d5443 [0,0,0,0,0,0|2,0,0]=2 1050 B11R0.148 O=C(O)CCCCNCCCO 9c5f1e63fc23fa4ad8947f4b10a88356 [0,0,0,0,0,0|2,0,0]=2 1051 B11R0.148 O=C(O)CCCCNCCCS 63698fa0bee516f1b0a5a6380ce8c8b9 [0,0,0,0,0,0|2,0,0]=2 1052 B11R0.148 O=C(O)CCCCOC/C=C/Cl ef15a1abb2dc92a870f475cb78adde57 [0,0,0,0,0,0|2,0,2]=4 1053 B11R0.148 O=C(O)CCCCOC/C=C\Cl 83d3ffe29dab5b69e0213bc8661adec5 [0,0,0,0,0,0|2,0,2]=4 1054 B11R0.148 O=C(O)CCCCOCC=CCl 5b1efdc7e9c35bc6f2c53d2f6b43a966 [0,0,0,0,0,0|2,0,2]=4 1055 B11R0.148 O=C(O)CCCCOCCCF c73ed8d5d070d316525e192103423940 [0,0,0,0,0,0|2,0,0]=2 1056 B11R0.148 O=C(O)CCCCOCCCS 5298991ccf9dc6658331de62de34a928 [0,0,0,0,0,0|2,0,0]=2 1057 B11R0.148 O=C(O)CCCNCC#CCO 5f08cf292809d1a209ac2718c4a78859 [0,0,0,0,0,0|2,0,2]=4 1058 B11R0.148 O=C(O)CCCNCCCCF 827217bc28435a5b55a219e4b41c3d32 [0,0,0,0,0,0|2,0,0]=2 1059 B11R0.148 O=C(O)CCCNCCCCO 3332bf77c04e3a57bcdc5c455290d6fd [0,0,0,0,0,0|2,0,0]=2 1060 B11R0.148 O=C(O)CCCOCCCCF 3d954790f2241d94083a955977aa19c2 [0,0,0,0,0,0|2,0,0]=2 1061 B11R0.148 O=C(O)CCNCCCCCCl d3a821819bcc60410809e4904f0f9898 [0,0,0,0,0,0|2,0,0]=2 1062 B11R0.148 O=C(O)CCNCCCCCF 46c6006c92eb32a27375ce34a21f8d22 [0,0,0,0,0,0|2,0,0]=2 1063 B11R0.148 O=C(O)CCNCCCCCO 5a39465ff3cd1d7a23960289cd66f619 [0,0,0,0,0,0|2,0,0]=2 1064 B11R0.148 O=C(O)CCNCCOCCO e67aea402c132c1738b6916d17670ba0 [0,0,0,0,0,0|3,0,0]=3 1065 B11R0.148 O=C(O)CCNCCOCCS 340d291ebde623e06f5960d9a83ab9a9 [0,0,0,0,0,0|3,0,0]=3 1066 B11R0.148 O=C(O)CCNCCSCCO 03b9cfb4968de8b67266a0bea3615534 [0,0,0,0,0,0|3,0,0]=3 1067 B11R0.148 O=C(O)CCOCCCCCF fabc09b462bdbb3b3613f7ec1f025c51 [0,0,0,0,0,0|2,0,0]=2 1068 B11R0.148 O=C(O)CCOCCNCCBr 3ebada56a67a101ed971a67aa6c02876 [0,0,0,0,0,0|3,0,0]=3 1069 B11R0.148 O=C(O)CCOCCNCCF 919b57381aa0ad162a070e908000ec8f [0,0,0,0,0,0|3,0,0]=3 1070 B11R0.148 O=C(O)CCOCCNCCI 6168bf853909f1d16f0f00368121f105 [0,0,0,0,0,0|3,0,0]=3 1071 B11R0.148 O=C(O)CCOCCNCCO b1c2f8d9b609321807385e688471df72 [0,0,0,0,0,0|3,0,0]=3 1072 B11R0.148 O=C(O)CCOCCNCCS 0eaaee8eeded787894f11a9f985c4367 [0,0,0,0,0,0|3,0,0]=3 1073 B11R0.148 O=C(O)CCOCCOCCF 9375477ec897fd524f828cf01c9b7d29 [0,0,0,0,0,0|3,0,0]=3 1074 B11R0.148 O=C(O)CCOCCOCCS 5e23a0ad0f56a017429ecf28dcaae411 [0,0,0,0,0,0|3,0,0]=3 1075 B11R0.148 O=C(O)CCSSCCNCF 760eae2264e78d0b60083cac1a958426 [0,0,0,0,0,0|4,0,0]=4 1076 B11R0.148 O=C(O)CCSSCCOCF aea4cf4784ed98e37633a479da867400 [0,0,0,0,0,0|4,0,0]=4 1077 B11R0.148 O=C(O)CNCCCCCCCl dc32a566986ba7b34107464790e296cc [0,0,0,0,0,0|2,0,0]=2 1078 B11R0.148 O=C(O)CNCCCCCCF bce3f1514075f3d2f8204865ec56aef1 [0,0,0,0,0,0|2,0,0]=2 1079 B11R0.148 O=C(O)CNCCCCCCO d2379b6809e52a0c5093502cf3d19ff8 [0,0,0,0,0,0|2,0,0]=2 1080 B11R0.148 O=C(O)CNCCCOCCO b3ede148a850227f5226acf871ac1005 [0,0,0,0,0,0|3,0,0]=3 1081 B11R0.148 O=C(O)CNCCOCCCO 739078e7a2efb6ef3daf1f3632ad3500 [0,0,0,0,0,0|3,0,0]=3 1082 B11R0.148 O=C(O)COCCCCCCF 225eb71627e39626696c7d9cbf9693d6 [0,0,0,0,0,0|2,0,0]=2 1083 B11R0.148 O=C(O)COCCCCCCS af996bea4ab4a7edbee11c3b6236257b [0,0,0,0,0,0|2,0,0]=2 1084 B11R0.148 O=C(O)COCCCNCCF 8b32e92fa02e7242998c345f7a977b41 [0,0,0,0,0,0|3,0,0]=3 1085 B11R0.148 O=C(O)COCCCNCCI 712e53ef936b52358253288a841bd35d [0,0,0,0,0,0|3,0,0]=3 1086 B11R0.148 O=C(O)COCCCNCCO af1363412898dd45b2ef47663e6192cf [0,0,0,0,0,0|3,0,0]=3 1087 B11R0.148 O=C(O)COCCCNCCS 75e753fe6eb66622fce8a4f43e0e88a7 [0,0,0,0,0,0|3,0,0]=3 1088 B11R0.148 O=C(O)COCCCOCCS 93d40af58ed169db3870b4f7730ba2c7 [0,0,0,0,0,0|3,0,0]=3 1089 B11R0.148 O=C(O)COCCNCCCCl 0806cac4bce43ac96d21219078edc296 [0,0,0,0,0,0|3,0,0]=3 1090 B11R0.148 O=C(O)COCCNCCCF 1b98c3a1b95cab12948cdd38711999fc [0,0,0,0,0,0|3,0,0]=3 1091 B11R0.148 O=C(O)COCCNCCCO ae2b3b43085ac55fbf99ff7706bf9066 [0,0,0,0,0,0|3,0,0]=3 1092 B11R0.148 O=C(O)COCCNCCCS 02ff7e96a3b0b949f29b9f959d11b4d2 [0,0,0,0,0,0|3,0,0]=3 1093 B11R0.148 O=C(O)COCCOCCCF 0e1756a03a0e777e09c442bd8440f846 [0,0,0,0,0,0|3,0,0]=3 1094 B11R0.148 O=C(O)COCCOCCCS 462b0a7ebd80bf497aa7b81df9206aad [0,0,0,0,0,0|3,0,0]=3 1095 B11R0.148 O=C(O)CSCCNCCCF d256aabf54971962af9cee6fb1bcb1f1 [0,0,0,0,0,0|3,0,0]=3 1096 B11R0.148 O=C(O)CSCCNCCCO 27ff6d16ed398227bf4781815176da87 [0,0,0,0,0,0|3,0,0]=3 1097 B11R0.148 O=CCCCCCNCC(=O)O 770cfb45a4f6bd8217e387ab818b844e [0,0,0,0,0,0|2,0,1]=3 1098 B11R0.148 O=CCCCCCOCC(=O)O 11458482d4179b8ff5974303f3937114 [0,0,0,0,0,0|2,0,1]=3 1099 B11R0.148 O=CCCCCCOCS(=O)O b4847dc4f0ee57be3dcb30893570d251 [0,0,0,0,0,0|3,0,1]=4 1100 B11R0.148 O=CCCCCNCCC(=O)O e79be6fb280c5d57d6d66f768499e566 [0,0,0,0,0,0|2,0,1]=3 1101 B11R0.148 O=CCCCCNCCS(=O)O ec0a5aff06f2c67cf4b2a05cb2d1957f [0,0,0,0,0,0|3,0,1]=4 1102 B11R0.148 O=CCCCCOCCC(=O)O fdbc1756579c13345d821e1a19a305b1 [0,0,0,0,0,0|2,0,1]=3 1103 B11R0.148 O=CCCCNCCCC(=O)O 9327c00549b9f681b42fa156980a20cf [0,0,0,0,0,0|2,0,1]=3 1104 B11R0.148 O=CCCCOCCCC(=O)O 9032481d7e21bbaef13ead97e986dff0 [0,0,0,0,0,0|2,0,1]=3 1105 B11R0.148 O=CCCNCCCCC(=O)O abe7ef8e1e977ff781ddd8220eda3a7e [0,0,0,0,0,0|2,0,1]=3 1106 B11R0.148 O=CCCNCCOCC(=O)O 1603ea819c4a4e0aff9495d6b9dd8433 [0,0,0,0,0,0|3,0,1]=4 1107 B11R0.148 O=CCCNCCSCC(=O)O b48f7a83d726cc4813e580b76f666663 [0,0,0,0,0,0|3,0,1]=4 1108 B11R0.148 O=CCCOCCCCC(=O)O b7f88f2cd478c0d77a46e19b7c287aa0 [0,0,0,0,0,0|2,0,1]=3 1109 B11R0.148 O=CCCOCCOCC(=O)O 1ddfe834a8c5223e38f7bd0974b43703 [0,0,0,0,0,0|3,0,1]=4 1110 B11R0.148 O=CCNCCCCCC(=O)O 2bc04200c99baf32b1ec80562574b58a [0,0,0,0,0,0|2,0,1]=3 1111 B11R0.148 O=CCNCCOCCC(=O)O c53334802448afc1826cfde9a3cbe5ab [0,0,0,0,0,0|3,0,1]=4 1112 B11R0.148 O=CCOCCCCCC(=O)O 4d6d28a8ec6f3d1dcc55ef7f71afa697 [0,0,0,0,0,0|2,0,1]=3 1113 B11R0.148 O=CCOCCNCCC(=O)O 35f457d2933876997f7b9c5cae9c8ffa [0,0,0,0,0,0|3,0,1]=4 1114 B11R0.148 O=CCOCCOCCC(=O)O 22951b638d14ddba9463c21e4350db41 [0,0,0,0,0,0|3,0,1]=4 1115 B11R0.148 O=CNCCOCCCC(=O)O 2d917cf6349b13cda36888f2bd0d7ac1 [0,0,0,0,0,0|3,0,1]=4 1116 B11R0.148 O=COCCOCCCC(=O)O 954950e8edda00faa01cde9e8b28443e [0,0,0,0,0,0|3,0,1]=4 1117 B11R0.148 O=S(O)CCNCCCCCF e366fcf006af824b57068d8d8720cc9a [0,0,0,0,0,0|3,0,0]=3 1118 B11R0.148 O=S(O)CCNCCCCCO ce73a3e48c3c84c138670f327c38ec51 [0,0,0,0,0,0|3,0,0]=3 1119 B11R0.148 O=S(O)CCNCCOCCO d8b3f6d863acebd9bff210a49d810916 [0,0,0,0,0,0|4,0,0]=4 1120 B11R0.148 O=S(O)COCCCCCCF 4e5af757d78c76381154134f13443755 [0,0,0,0,0,0|3,0,0]=3 1121 B11R0.148 O=[N+]([O-])CCCCOCCCF 8ef8e11189cf871b8e8634db4778b909 [0,0,0,0,0,0|3,0,1]=4 1122 B11R0.148 O=[N+]([O-])CCCCOCCCS 5e7fe26a4b774243201e7af3e243a142 [0,0,0,0,0,0|3,0,1]=4 1123 B11R0.148 O=[N+]([O-])CCCNCCCCCl 2a06e764342705852f3f0be11c8ba6c6 [0,0,0,0,0,0|3,0,1]=4 1124 B11R0.148 O=[N+]([O-])CCCNCCCCO 8146e99ed51cf199a8ed294f99179c32 [0,0,0,0,0,0|3,0,1]=4 1125 B11R0.148 O=[N+]([O-])CCCNCCCCS c0837ede44ca3452c99a3e3a704ddba0 [0,0,0,0,0,0|3,0,1]=4 1126 B11R0.148 O=[N+]([O-])CCCOCCCCF 37b0e646590060c918b40ada29c8e165 [0,0,0,0,0,0|3,0,1]=4 1127 B11R0.148 O=[N+]([O-])CCCOCCCCS b10bbafb9726e8be7fdf418b2980eb19 [0,0,0,0,0,0|3,0,1]=4 1128 B11R0.148 O=[N+]([O-])CCOCCCCCF 9ce2a7a3224fa5fbab7804603d33681e [0,0,0,0,0,0|3,0,1]=4 1129 B11R0.148 O=[N+]([O-])CNCCCCCCCl f16fab38358c399ff2a3daaa03b981ac [0,0,0,0,0,0|3,0,1]=4 1130 B11R0.148 O=[N+]([O-])CNCCCCCCO 7a8b92baee180f6bff3efd1f597857e0 [0,0,0,0,0,0|3,0,1]=4 1131 B11R0.148 O=[N+]([O-])COCCCCCCF 565293a764bd50fe9b923b1e1db9773f [0,0,0,0,0,0|3,0,1]=4 1132 B11R0.148 O=[N+]([O-])COCCCCCCS e673d6edfbc6e08e0d82d99b29ff40d4 [0,0,0,0,0,0|3,0,1]=4 1133 B10R0.4 C#CCCCCNCC(=O)O 053e69494a1edfe88d9aa7bec3f3ce0a [1,0,0,0,0,0|1,0,2]=4 1134 B10R0.4 C#CCCCCOCC(=O)O 754c0ff3e6f0bdb78989a7e7ae9e5b08 [1,0,0,0,0,0|1,0,2]=4 1135 B10R0.4 C#CCCCNCCC(=O)O b7ca33d5b8e1f01455f5334a9261cdbe [1,0,0,0,0,0|1,0,2]=4 1136 B10R0.4 C#CCCCOCCC(=O)O 0ad612bc2c2aebc206c6422ad51aca36 [1,0,0,0,0,0|1,0,2]=4 1137 B10R0.4 C#CCCNCCCC(=O)O 98b54ed437e79d33704ab26e28ebc0dd [1,0,0,0,0,0|1,0,2]=4 1138 B10R0.4 C#CCCOCCCC(=O)O a28174cefe569d9e990ac22fc9d3ad0e [1,0,0,0,0,0|1,0,2]=4 1139 B10R0.4 C#CCNCCCCC(=O)O cfecfb6de6c4c4009e0973474be74f6b [1,0,0,0,0,0|1,0,2]=4 1140 B10R0.4 C#CCOCCCCC(=O)O c227e22f1b2409fb86f11b652a50036a [1,0,0,0,0,0|1,0,2]=4 1141 B10R0.4 C/C=C/CCCOCC(=O)O 7432494e77d961fe0bec79b7d3fd9b8c [1,0,0,0,0,0|1,0,2]=4 1142 B10R0.4 C/C=C/CCOCCC(=O)O 916eacd333d21908cf84f63720010dfe [1,0,0,0,0,0|1,0,2]=4 1143 B10R0.4 C/C=C/CNCCCC(=O)O 13ef2ccb4733ce0119a0b85ad92302d4 [1,0,0,0,0,0|1,0,2]=4 1144 B10R0.4 C/C=C/COCCCC(=O)O 797b589f4ff59b345d64adc4a9453f4d [1,0,0,0,0,0|1,0,2]=4 1145 B10R0.4 C/C=C\CCCNCC(=O)O e1e9e131b6177d66418d3e1789832edd [1,0,0,0,0,0|1,0,2]=4 1146 B10R0.4 C/C=C\CCCOCC(=O)O a10f8b8bf03efd0d18a4f726108b2616 [1,0,0,0,0,0|1,0,2]=4 1147 B10R0.4 C/C=C\CNCCCC(=O)O 5654bb2e955ab88d7e5c4af35c7daf9b [1,0,0,0,0,0|1,0,2]=4 1148 B10R0.4 C/C=C\COCCCC(=O)O 7adc08223c1d3f0b55e4c481022d842b [1,0,0,0,0,0|1,0,2]=4 1149 B10R0.4 C=C(Br)CCOCCCCC bd4199ae2f7609ded49d0b09d8c9a6f4 [1,0,0,0,0,0|3,0,0]=4 1150 B10R0.4 C=C(Br)CNCCCCCC 5aad58ea99227a55b09a67c24d1e7b9a [1,0,0,0,0,0|3,0,0]=4 1151 B10R0.4 C=C(Br)COCCCCCC dd72666212807c8ae20cc4e5d80424cb [1,0,0,0,0,0|3,0,0]=4 1152 B10R0.4 C=C(C)CCCNCCCC 10e9d5bc2148f814ac87779b16970bb2 [1,0,0,0,0,0|3,0,0]=4 1153 B10R0.4 C=C(C)CCCOCCCC f556e23942a670bff2e32fedd43a44e3 [1,0,0,0,0,0|3,0,0]=4 1154 B10R0.4 C=C(C)CCNCCCCC 6827c3721728b6bdd5fb962e657afed6 [1,0,0,0,0,0|3,0,0]=4 1155 B10R0.4 C=C(C)CCOCCCCC bd422e129da3de0d5182ac59fdf2b775 [1,0,0,0,0,0|3,0,0]=4 1156 B10R0.4 C=C(C)CNCCCCCC 57e2209f6875fc62d2bad933ad5990a8 [1,0,0,0,0,0|3,0,0]=4 1157 B10R0.4 C=C(C)COCCCCCC 18580082a3e432d96826bd208c01f2c4 [1,0,0,0,0,0|3,0,0]=4 1158 B10R0.4 C=C(Cl)CNCCCCCC ba5adaf38bac8653992345ea7a9d6593 [1,0,0,0,0,0|3,0,0]=4 1159 B10R0.4 C=C(Cl)COCCCCCC 90c6c4185c44a77006fc9e2e499a0eab [1,0,0,0,0,0|3,0,0]=4 1160 B10R0.4 C=C(F)CNCCCCCC f83516f668b336b0229c934406813e90 [1,0,0,0,0,0|3,0,0]=4 1161 B10R0.4 C=C(F)COCCCCCC 14d179349839635633c1a8bbe576d8e0 [1,0,0,0,0,0|3,0,0]=4 1162 B10R0.4 C=C(I)COCCCCCC 122b373be56fb0f4806cbe68ff87c42a [1,0,0,0,0,0|3,0,0]=4 1163 B10R0.4 C=CCCCCNCC(=O)O 0a5c0aa41b8a418ca63d9c52b3af9bba [1,0,0,0,0,0|1,0,2]=4 1164 B10R0.4 C=CCCCCOCC(=O)O cb2fa521222587e3021c2fae70958356 [1,0,0,0,0,0|1,0,2]=4 1165 B10R0.4 C=CCCCNCCC(=O)O 92047546031e5472718936e8674175a4 [1,0,0,0,0,0|1,0,2]=4 1166 B10R0.4 C=CCCCOCCC(=O)O 6737b7acf8edcb773be3c12c9590a3b5 [1,0,0,0,0,0|1,0,2]=4 1167 B10R0.4 C=CCCNCCCC(=O)O da3b42b51cbf87e7b2494d17b8ac7f6f [1,0,0,0,0,0|1,0,2]=4 1168 B10R0.4 C=CCCOCCCC(=O)O 43c029708142e3a5ef8331e455444c11 [1,0,0,0,0,0|1,0,2]=4 1169 B10R0.4 C=CCNCCCCC(=O)O 40e4988a260bae226de0ef694170aaa0 [1,0,0,0,0,0|1,0,2]=4 1170 B10R0.4 C=CCOCCCCC(=O)O fb29bee7adeaeb4edbb2783380a11af9 [1,0,0,0,0,0|1,0,2]=4 1171 B10R0.4 CC#CCCCOCC(=O)O 2de1c93fb989703176b9484ad7a46440 [1,0,0,0,0,0|1,0,2]=4 1172 B10R0.4 CC#CCCOCCC(=O)O c82bfbd0e4b691d439eaafcab2bac58c [1,0,0,0,0,0|1,0,2]=4 1173 B10R0.4 CC(=O)CCCCNCCBr f3ddce1f9a1062cede3a27a1b630ea15 [1,0,0,0,0,0|3,0,0]=4 1174 B10R0.4 CC(=O)CCCCNCCF 8711dcf185e3a6f218d23593dbe2fb8a [1,0,0,0,0,0|3,0,0]=4 1175 B10R0.4 CC(=O)CCCCNCCI 0f0054e4955e683ecb2e2ae5c2bd1b57 [1,0,0,0,0,0|3,0,0]=4 1176 B10R0.4 CC(=O)CCCCNCCO 6335f44acfc8ae8a1c74a2effeffdaa9 [1,0,0,0,0,0|3,0,0]=4 1177 B10R0.4 CC(=O)CCCCNCCS 9086c15c5cb71c0d777519e498536740 [1,0,0,0,0,0|3,0,0]=4 1178 B10R0.4 CC(=O)CCCCOCCF 0c6e1aa2ddd2547de23cc588f8d80289 [1,0,0,0,0,0|3,0,0]=4 1179 B10R0.4 CC(=O)CCCCOCCS ac88dd646f017b673d2dbc45961aa74f [1,0,0,0,0,0|3,0,0]=4 1180 B10R0.4 CC(=O)CCCNCCCCl f1625dacee073cbb4f019dbe32494f50 [1,0,0,0,0,0|3,0,0]=4 1181 B10R0.4 CC(=O)CCCNCCCO 8b11019ccb106855d75ac6c8c4c3fe63 [1,0,0,0,0,0|3,0,0]=4 1182 B10R0.4 CC(=O)CCCOCCCF e44a9d620794f28a8e038989a8cb2ae7 [1,0,0,0,0,0|3,0,0]=4 1183 B10R0.4 CC(=O)CCCOCCCS 224ce1d62cb0cc546747e7754a42aa6c [1,0,0,0,0,0|3,0,0]=4 1184 B10R0.4 CC(=O)CCNCCCCCl e92127d9f4fec06f947ca88e6cf4a50b [1,0,0,0,0,0|3,0,0]=4 1185 B10R0.4 CC(=O)CCNCCCCO 9f6c569b44bc6c4cbc16c08a781c9532 [1,0,0,0,0,0|3,0,0]=4 1186 B10R0.4 CC(=O)CCNCCCCS e5b279c159671291cf92ca332011d729 [1,0,0,0,0,0|3,0,0]=4 1187 B10R0.4 CC(=O)CCOCCCCF ef2acd71a360f46e90e912d973dfe5aa [1,0,0,0,0,0|3,0,0]=4 1188 B10R0.4 CC(=O)CCOCCCCS 64f0dae486fcb36ef0baae73a313556f [1,0,0,0,0,0|3,0,0]=4 1189 B10R0.4 CC(=O)CNCCCCCF 14ed717f1f055fc3ffebcb0f3bb7f6ab [1,0,0,0,0,0|3,0,0]=4 1190 B10R0.4 CC(=O)CNCCCCCO 64da7cdb6d2a9c33dc01f9b5a780e4d4 [1,0,0,0,0,0|3,0,0]=4 1191 B10R0.4 CC(=O)COCCCCCF 7aec6ce84a2c3f216e8ae40d950f6334 [1,0,0,0,0,0|3,0,0]=4 1192 B10R0.4 CC(=O)NCCCCCCCl f93e4eee74ea26870e48ebdfc4f07177 [1,0,0,0,0,0|3,0,0]=4 1193 B10R0.4 CC(=O)NCCCCCCO f4c6533638e4e2bcf3850e47e46df271 [1,0,0,0,0,0|3,0,0]=4 1194 B10R0.4 CC/C=C/CCOCC(=O)O d3d91f905900557afa774e13b9df6026 [1,0,0,0,0,0|1,0,2]=4 1195 B10R0.4 CC/C=C/CNCCC(=O)O f46933b8a0cdc6ec2c9ac3cc8433f0e6 [1,0,0,0,0,0|1,0,2]=4 1196 B10R0.4 CC/C=C/COCCC(=O)O bc21ad1147514419b82e1623220c1d48 [1,0,0,0,0,0|1,0,2]=4 1197 B10R0.4 CC/C=C\CCNCC(=O)O cbcffdadc0ca4c78c680764fb8ad852e [1,0,0,0,0,0|1,0,2]=4 1198 B10R0.4 CC/C=C\CCOCC(=O)O 2cec0b1c660697fcd461620b82c4e65a [1,0,0,0,0,0|1,0,2]=4 1199 B10R0.4 CC/C=C\COCCC(=O)O dfb691c23445a1d9807090e9e95064da [1,0,0,0,0,0|1,0,2]=4 1200 B10R0.4 CC=CCCCOCC(=O)O eb02a0583e7477549f7236d3495e3904 [1,0,0,0,0,0|1,0,2]=4 1201 B10R0.4 CC=CCNCCCC(=O)O 8df01a8428c77adf160d0ed2cf7f78d3 [1,0,0,0,0,0|1,0,2]=4 1202 B10R0.4 CC=CCOCCCC(=O)O fe986269b6907663d554820fb9f32f8e [1,0,0,0,0,0|1,0,2]=4 1203 B10R0.4 CCC#CCCOCC(=O)O 9a6310bfcfd292d4532f447a214df326 [1,0,0,0,0,0|1,0,2]=4 1204 B10R0.4 CCC#CCOCCC(=O)O 75768181b61be90473cf0be9a0f219b7 [1,0,0,0,0,0|1,0,2]=4 1205 B10R0.4 CCC/C=C/CNCC(=O)O d333e5f143db479d98cf398543834293 [1,0,0,0,0,0|1,0,2]=4 1206 B10R0.4 CCC/C=C/COCC(=O)O 72aab2c6b05e394fdc94d7b08198a96f [1,0,0,0,0,0|1,0,2]=4 1207 B10R0.4 CCC/C=C\CNCC(=O)O d0f8354af0548992aeb3cd8704b042da [1,0,0,0,0,0|1,0,2]=4 1208 B10R0.4 CCC/C=C\COCC(=O)O 34e137c4a3c55da23e210818c1ae134e [1,0,0,0,0,0|1,0,2]=4 1209 B10R0.4 CCCC#CCOCC(=O)O 73563ca30f87abc33eb077bf6f4b8dcb [1,0,0,0,0,0|1,0,2]=4 1210 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [1,0,0,0,0,0|2,0,0]=3 1211 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [1,0,0,0,0,0|2,0,0]=3 1212 B10R0.4 CCCCCCNCC(=O)N 3fae3fcfcc109d047ed465f3e2b847e2 [1,0,0,0,0,0|2,0,0]=3 1213 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [1,0,0,0,0,0|1,0,0]=2 1214 B10R0.4 CCCCCCNCC(C)O ecfd31bbb27d5c1b28261e6fc506454e [1,0,0,0,0,0|2,0,1]=4 1215 B10R0.4 CCCCCCNC[C@@H](C)O a3e47df10174193eaf313b4168d20a56 [1,0,0,0,0,0|2,0,1]=4 1216 B10R0.4 CCCCCCNC[C@H](C)O 2eab26b642fa93ab5109cc9827db8367 [1,0,0,0,0,0|2,0,1]=4 1217 B10R0.4 CCCCCCNC[N+](=O)[O-] 1fd8a99199d76e18db48a45a032494df [1,0,0,0,0,0|2,0,1]=4 1218 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [1,0,0,0,0,0|2,0,0]=3 1219 B10R0.4 CCCCCCOCC(=O)N 9c51cacea528460eb1c6e4fbed6a2905 [1,0,0,0,0,0|2,0,0]=3 1220 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [1,0,0,0,0,0|1,0,0]=2 1221 B10R0.4 CCCCCCOCC(=S)N 4a6619ae0c5d9b426d785374d9a55b11 [1,0,0,0,0,0|2,1,0]=4 1222 B10R0.4 CCCCCCOCS(=O)O 2b6780218bd3498af4d92344e34b6465 [1,0,0,0,0,0|2,0,0]=3 1223 B10R0.4 CCCCCCOC[N+](=O)[O-] 8de73a02b11721ecdeb3033a6923b71d [1,0,0,0,0,0|2,0,1]=4 1224 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [1,0,0,0,0,0|2,0,0]=3 1225 B10R0.4 CCCCCNCCC(=O)N da2ae5cebf00ff2bc6648f8e9deea068 [1,0,0,0,0,0|2,0,0]=3 1226 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [1,0,0,0,0,0|1,0,0]=2 1227 B10R0.4 CCCCCNCCC(=S)N 57b8a362f1c0fd1078f9dcd4c9c7bfb9 [1,0,0,0,0,0|2,1,0]=4 1228 B10R0.4 CCCCCNCCC(C)O 4e6a420569190052d94ccc1ca80cf85c [1,0,0,0,0,0|2,0,1]=4 1229 B10R0.4 CCCCCNCCS(=O)C 889c2eb0c8cfc530bc8152471af86a27 [1,0,0,0,0,0|3,0,0]=4 1230 B10R0.4 CCCCCNCCS(=O)O 40a9496c737aacfd55e5b85a03b28772 [1,0,0,0,0,0|2,0,0]=3 1231 B10R0.4 CCCCCNCC[C@@H](C)O 3f00e28351ebf7b139dd29392d26fe0f [1,0,0,0,0,0|2,0,1]=4 1232 B10R0.4 CCCCCNCC[C@H](C)O 38a781c8f9bc47db57981751900f43d6 [1,0,0,0,0,0|2,0,1]=4 1233 B10R0.4 CCCCCNCOC(=O)C 35ef47aef23a171936e6801a261865e1 [1,0,0,0,0,0|3,0,0]=4 1234 B10R0.4 CCCCCNCSC(=O)N f0087a849ed0984cde78f3cd83990d19 [1,0,0,0,0,0|3,0,0]=4 1235 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [1,0,0,0,0,0|2,0,0]=3 1236 B10R0.4 CCCCCOCCC(=O)N 3ccf202c6633a29591d963976a663b22 [1,0,0,0,0,0|2,0,0]=3 1237 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [1,0,0,0,0,0|1,0,0]=2 1238 B10R0.4 CCCCCOCCS(=O)C 3d066bbbe37fbbf288a2e425fa4215eb [1,0,0,0,0,0|3,0,0]=4 1239 B10R0.4 CCCCCOCC[N+](=O)[O-] 1b20814dc46e660675c4441c70877217 [1,0,0,0,0,0|2,0,1]=4 1240 B10R0.4 CCCCCOCNC(=O)C 3014ea30bb40b67aa6a1ce125b435cc1 [1,0,0,0,0,0|3,0,0]=4 1241 B10R0.4 CCCCCOCNC(=O)N 878e32bdf57fabeb01ffaf0ffaaa0fb1 [1,0,0,0,0,0|3,0,0]=4 1242 B10R0.4 CCCCCOCOC(=O)C 62a840560a1a56a085f7882cc96ba1f5 [1,0,0,0,0,0|3,0,0]=4 1243 B10R0.4 CCCCCOCSC(=O)N e50a2eecc4d190b7254a33158f696a5a [1,0,0,0,0,0|3,0,0]=4 1244 B10R0.4 CCCCNC/C=C/C(=O)O 47b1a103370b1a6a86bcade53e559dd6 [1,0,0,0,0,0|1,0,2]=4 1245 B10R0.4 CCCCNCC#CC(=O)O 8b42ea6f5918936295863b52eb2b06d1 [1,0,0,0,0,0|1,0,2]=4 1246 B10R0.4 CCCCNCC=CC(=O)O f8dc0eb33b8e1238b7e6a28f8075ce7a [1,0,0,0,0,0|1,0,2]=4 1247 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [1,0,0,0,0,0|2,0,0]=3 1248 B10R0.4 CCCCNCCCC(=O)N 87f3fa3fa2631822b8cd0b48fa13e9d9 [1,0,0,0,0,0|2,0,0]=3 1249 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [1,0,0,0,0,0|1,0,0]=2 1250 B10R0.4 CCCCNCCCC(C)O e267dad3accc230faa3bc9e16d970474 [1,0,0,0,0,0|2,0,1]=4 1251 B10R0.4 CCCCNCCCS(=O)C 362c770b2b09d0f84e497dc89cd0ad5b [1,0,0,0,0,0|3,0,0]=4 1252 B10R0.4 CCCCNCCC[N+](=O)[O-] 9badc35f02019bf5a2d94b33d537eb49 [1,0,0,0,0,0|2,0,1]=4 1253 B10R0.4 CCCCNCCNC(=O)C a0257fcf7897366323909d66114b6809 [1,0,0,0,0,0|3,0,0]=4 1254 B10R0.4 CCCCNCCNC(=O)N 1a45d5f5665165b9b8dd6ffa58910f21 [1,0,0,0,0,0|3,0,0]=4 1255 B10R0.4 CCCCNCCOC(=O)C dac752d37b046d20aa6fa7632de515a6 [1,0,0,0,0,0|3,0,0]=4 1256 B10R0.4 CCCCNCCSC(=O)C 0ac4a109a3992122f41a3a955bc15a16 [1,0,0,0,0,0|3,0,0]=4 1257 B10R0.4 CCCCOC/C=C/C(=O)O f8be4ebbb6c99643b3f6245797365927 [1,0,0,0,0,0|1,0,2]=4 1258 B10R0.4 CCCCOCC#CC(=O)O 38cad6637629b89e3c26c481e48db3f0 [1,0,0,0,0,0|1,0,2]=4 1259 B10R0.4 CCCCOCC=CC(=O)O a5c4798b7a417df05ba6cec5bd7ffd88 [1,0,0,0,0,0|1,0,2]=4 1260 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [1,0,0,0,0,0|2,0,0]=3 1261 B10R0.4 CCCCOCCCC(=O)N 4bd9e362912f487ea2067ef12f3cd6d1 [1,0,0,0,0,0|2,0,0]=3 1262 B10R0.4 CCCCOCCC[N+](=O)[O-] c60851539260d222712dcc317d0e301f [1,0,0,0,0,0|2,0,1]=4 1263 B10R0.4 CCCCOCCNC(=O)C ddcfe368ad37fbe3701a827b8b343f83 [1,0,0,0,0,0|3,0,0]=4 1264 B10R0.4 CCCCOCCNC(=O)N c72709ebb46b5df20e6ec26959a0b816 [1,0,0,0,0,0|3,0,0]=4 1265 B10R0.4 CCCCOCCOC(=O)C 8f9bbeb4cacbf148ed1331b02f645662 [1,0,0,0,0,0|3,0,0]=4 1266 B10R0.4 CCCCOCCSC(=O)C cd6988dd5f5d2697eb1fd4eec9b07d56 [1,0,0,0,0,0|3,0,0]=4 1267 B10R0.4 CCCCOCNCC(=O)C af2d8785a5c96c78e17462ebf7d0cbc7 [1,0,0,0,0,0|3,0,0]=4 1268 B10R0.4 CCCCOCNCC(=O)N 988bad330cf6d13d6255498b143b0d74 [1,0,0,0,0,0|3,0,0]=4 1269 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [1,0,0,0,0,0|2,0,0]=3 1270 B10R0.4 CCCCOCOCC(=O)C de19627aa5bea52305b73b51889c5d58 [1,0,0,0,0,0|3,0,0]=4 1271 B10R0.4 CCCCOCOCC(=O)N 926e206db980bd2c1eefa23df0a6017c [1,0,0,0,0,0|3,0,0]=4 1272 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [1,0,0,0,0,0|2,0,0]=3 1273 B10R0.4 CCCCOCOCS(=O)O 0d28fd59ab2c1caf0be048f6d50b3ee6 [1,0,0,0,0,0|3,0,0]=4 1274 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [1,0,0,0,0,0|2,0,0]=3 1275 B10R0.4 CCCNCCCCC(=O)N e1e10e2e68cec95857cb4c3cfc282eaf [1,0,0,0,0,0|2,0,0]=3 1276 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [1,0,0,0,0,0|1,0,0]=2 1277 B10R0.4 CCCNCCCCC(C)O 2f69e7bc2a7ca500502a3e5f1c138b9b [1,0,0,0,0,0|2,0,1]=4 1278 B10R0.4 CCCNCCCC[C@@H](C)O 6ce0e83e6e0d1b17039df927d769e87a [1,0,0,0,0,0|2,0,1]=4 1279 B10R0.4 CCCNCCCNC(=O)C 889a8f130116f443d6fd6e1232ef1497 [1,0,0,0,0,0|3,0,0]=4 1280 B10R0.4 CCCNCCCOC(=O)C e1cec712d82f801a0d54d1944e98e203 [1,0,0,0,0,0|3,0,0]=4 1281 B10R0.4 CCCNCCCSC(=O)C 2889b29bc4848ab93d3dd022a17fab90 [1,0,0,0,0,0|3,0,0]=4 1282 B10R0.4 CCCNCCOCC(=O)N 55e2f24709483252c53a6fbd0fb9b0cc [1,0,0,0,0,0|3,0,0]=4 1283 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [1,0,0,0,0,0|2,0,0]=3 1284 B10R0.4 CCCNCCSCC(=O)O 94cff0686c4de2d0110011adc5739807 [1,0,0,0,0,0|2,0,0]=3 1285 B10R0.4 CCCOCCC#CC(=O)O f4d5055400d31c308ce57b5764e65d8e [1,0,0,0,0,0|1,0,2]=4 1286 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [1,0,0,0,0,0|2,0,0]=3 1287 B10R0.4 CCCOCCCCC(=O)N 40ac037ce19926aee318707e134df4d3 [1,0,0,0,0,0|2,0,0]=3 1288 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [1,0,0,0,0,0|1,0,0]=2 1289 B10R0.4 CCCOCCCC[N+](=O)[O-] 2181f5b73d6454537469cc2f7f8b27c8 [1,0,0,0,0,0|2,0,1]=4 1290 B10R0.4 CCCOCCCNC(=O)C 7a5b85034a356fda536fac05ed90cc22 [1,0,0,0,0,0|3,0,0]=4 1291 B10R0.4 CCCOCCCOC(=O)C a4e530952a94d07d0a2346bd1f1072e5 [1,0,0,0,0,0|3,0,0]=4 1292 B10R0.4 CCCOCCCSC(=O)C 79a61e06633112b372a67f8d0e405976 [1,0,0,0,0,0|3,0,0]=4 1293 B10R0.4 CCCOCCNCC(=O)C ca708ee5deb46f0d1f0948a3a215a9a0 [1,0,0,0,0,0|3,0,0]=4 1294 B10R0.4 CCCOCCNCC(=O)N 499e078e27ce3bb485f1b0506d848c22 [1,0,0,0,0,0|3,0,0]=4 1295 B10R0.4 CCCOCCNCC(=O)O 9f97370ef19b48f601d53c72298be028 [1,0,0,0,0,0|2,0,0]=3 1296 B10R0.4 CCCOCCOCC(=O)C 8a0436c09947b0d42e02b341d19a096c [1,0,0,0,0,0|3,0,0]=4 1297 B10R0.4 CCCOCCOCC(=O)N 3866f23c4fa43d0a1bf33adf8a9fdb4c [1,0,0,0,0,0|3,0,0]=4 1298 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [1,0,0,0,0,0|2,0,0]=3 1299 B10R0.4 CCCOCCOCS(=O)O 641ce035092cbb18e98331d2c45bc1fa [1,0,0,0,0,0|3,0,0]=4 1300 B10R0.4 CCCOCCSCC(=O)N bc153a2b3523cf3bf07bbcd570f99185 [1,0,0,0,0,0|3,0,0]=4 1301 B10R0.4 CCCSCCOCC(=O)N 7023129cea31bb4e24776462cec680cf [1,0,0,0,0,0|3,0,0]=4 1302 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [1,0,0,0,0,0|2,0,0]=3 1303 B10R0.4 CCNCCCCCC(=O)N 7e47cb6936cef048a9728be65f4ed153 [1,0,0,0,0,0|2,0,0]=3 1304 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [1,0,0,0,0,0|1,0,0]=2 1305 B10R0.4 CCNCCCCNC(=O)C 56499de7750c75071aaf8455aae5ba93 [1,0,0,0,0,0|3,0,0]=4 1306 B10R0.4 CCNCCOCCC(=O)O 8d7e5678fe9a8ff06a1e01887f882b5a [1,0,0,0,0,0|2,0,0]=3 1307 B10R0.4 CCOCCCCCC(=O)N 6f015e258b6f4d9a91ad4bf4c5e0b833 [1,0,0,0,0,0|2,0,0]=3 1308 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [1,0,0,0,0,0|1,0,0]=2 1309 B10R0.4 CCOCCCCOC(=O)C 136f9e9edd7237f018da84644cfcf35d [1,0,0,0,0,0|3,0,0]=4 1310 B10R0.4 CCOCCCNCC(=O)C 26586e90bfaea7cf445b6081e122678a [1,0,0,0,0,0|3,0,0]=4 1311 B10R0.4 CCOCCCNCC(=O)N 2952db3e5f20311a04f3e3495052fa44 [1,0,0,0,0,0|3,0,0]=4 1312 B10R0.4 CCOCCCNCC(=O)O 682f6d420ba5c774818f236d90f0fb13 [1,0,0,0,0,0|2,0,0]=3 1313 B10R0.4 CCOCCCOCC(=O)C 454eab324c0bac50570ee31f562f3c52 [1,0,0,0,0,0|3,0,0]=4 1314 B10R0.4 CCOCCCOCC(=O)N 9c11d1061e2cebe4ab6d2a5f319743ed [1,0,0,0,0,0|3,0,0]=4 1315 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [1,0,0,0,0,0|2,0,0]=3 1316 B10R0.4 CCOCCCOCS(=O)O 3d8fd95333e4857454fb6fed7dae58e7 [1,0,0,0,0,0|3,0,0]=4 1317 B10R0.4 CCOCCNCCC(=O)C 42430d43d72579f1aa89e578526bfc0d [1,0,0,0,0,0|3,0,0]=4 1318 B10R0.4 CCOCCNCCC(=O)N 512af3b4d45ce7bdd6387c00668babc5 [1,0,0,0,0,0|3,0,0]=4 1319 B10R0.4 CCOCCNCCC(=O)O ff34e42923fba256fb9a0dd7fcb988eb [1,0,0,0,0,0|2,0,0]=3 1320 B10R0.4 CCOCCNCCS(=O)O 3a3bd4b6053fb466c198571a8a56f1cb [1,0,0,0,0,0|3,0,0]=4 1321 B10R0.4 CCOCCOCCC(=O)C dc05f05df855c503e821df8f6f768970 [1,0,0,0,0,0|3,0,0]=4 1322 B10R0.4 CCOCCOCCC(=O)N d49dca4b1c0e0e8feb71d8f8dcfa61ce [1,0,0,0,0,0|3,0,0]=4 1323 B10R0.4 CCOCCOCCC(=O)O 96b40bef50a9547a8511d5d75c98b3cd [1,0,0,0,0,0|2,0,0]=3 1324 B10R0.4 CCOCNCCCC(=O)N 5c6b8bd80d092c52353cc7cbafb7c046 [1,0,0,0,0,0|3,0,0]=4 1325 B10R0.4 CCOCNCCCC(=O)O de9a120840675433ed34e7d1ceef9f57 [1,0,0,0,0,0|2,0,0]=3 1326 B10R0.4 CCSCCCCNC(=O)C a92a124e17ab18927891ca9e4716ceb8 [1,0,0,0,0,0|3,0,0]=4 1327 B10R0.4 CCSCCCNCC(=O)C e1d13e283a2d771ef21f5de250f59362 [1,0,0,0,0,0|3,0,0]=4 1328 B10R0.4 CCSCCCNCC(=O)N 9a0dfe2dcddc4c53687d0aa5d215b5c7 [1,0,0,0,0,0|3,0,0]=4 1329 B10R0.4 CCSCCCNCC(=O)O 4844b03ae0e8362029b66cb17ab7da38 [1,0,0,0,0,0|2,0,0]=3 1330 B10R0.4 CCSCCCOCC(=O)C c02cf25c3006eccd2ce0cd99c6e30a5c [1,0,0,0,0,0|3,0,0]=4 1331 B10R0.4 CCSCCCOCC(=O)N 7ce2062b91df77726ba9945e1153225f [1,0,0,0,0,0|3,0,0]=4 1332 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [1,0,0,0,0,0|2,0,0]=3 1333 B10R0.4 CCSCCNCCC(=O)C dc17725a3c49e266625d9c0ecdf1b483 [1,0,0,0,0,0|3,0,0]=4 1334 B10R0.4 CCSCCNCCC(=O)N 1e33e4f1241193b6db9ef905ff017ddb [1,0,0,0,0,0|3,0,0]=4 1335 B10R0.4 CCSCCNCCC(=O)O 8a1f405a9850c68a6f54d79446f1ff8f [1,0,0,0,0,0|2,0,0]=3 1336 B10R0.4 CCSCCNCCS(=O)O b2e1578e0f846641ec3fd6e927b37f40 [1,0,0,0,0,0|3,0,0]=4 1337 B10R0.4 CCSCCOCCC(=O)C 457f1bc970e68f8ecb238d68447adf89 [1,0,0,0,0,0|3,0,0]=4 1338 B10R0.4 CCSCCOCCC(=O)N 7ff7c7f40078631343e2bc35874d378f [1,0,0,0,0,0|3,0,0]=4 1339 B10R0.4 CCSCCOCCC(=O)O 547cb9bae4885e95f673de9975307679 [1,0,0,0,0,0|2,0,0]=3 1340 B10R0.4 COCCCCCNC(=O)C bf09c8275c5b54d3f2dfe84453f1edeb [1,0,0,0,0,0|3,0,0]=4 1341 B10R0.4 COCCCCNCC(=O)C cbfa920fe125fc55313b8605fe9796ca [1,0,0,0,0,0|3,0,0]=4 1342 B10R0.4 COCCCCNCC(=O)N e97389396baa30b92652b95205d0fbf3 [1,0,0,0,0,0|3,0,0]=4 1343 B10R0.4 COCCCCNCC(=O)O e7016d96fdd719c414f251fdf8041599 [1,0,0,0,0,0|2,0,0]=3 1344 B10R0.4 COCCCCOCC(=O)C 1fb872d7e0dc73f602bada9dd9543de8 [1,0,0,0,0,0|3,0,0]=4 1345 B10R0.4 COCCCCOCC(=O)N 31cb5c3dcd7c7bf79498cddf4923ef6e [1,0,0,0,0,0|3,0,0]=4 1346 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [1,0,0,0,0,0|2,0,0]=3 1347 B10R0.4 COCCCCOCS(=O)O 20791ed6c56a23a1b38fc4d9c1ebd8b8 [1,0,0,0,0,0|3,0,0]=4 1348 B10R0.4 COCCCNCCC(=O)C 5360de16b201f8614b5bf4d4f61c69e7 [1,0,0,0,0,0|3,0,0]=4 1349 B10R0.4 COCCCNCCC(=O)N f81a8f69aadabd2d693e8ff8cdedf4ce [1,0,0,0,0,0|3,0,0]=4 1350 B10R0.4 COCCCNCCC(=O)O 5acb8958d3874c29f59ad4b29733fb60 [1,0,0,0,0,0|2,0,0]=3 1351 B10R0.4 COCCCNCCS(=O)O aba0c384f1e3738329f0303c2db159da [1,0,0,0,0,0|3,0,0]=4 1352 B10R0.4 COCCCOCCC(=O)C ce9ab677788967ce42aba7517b03235f [1,0,0,0,0,0|3,0,0]=4 1353 B10R0.4 COCCCOCCC(=O)N 485c4d9f1d228242ae17f5efde4b3a88 [1,0,0,0,0,0|3,0,0]=4 1354 B10R0.4 COCCCOCCC(=O)O d4eb4dab6784cb2fb1076332406f0b6e [1,0,0,0,0,0|2,0,0]=3 1355 B10R0.4 COCCNCCCC(=O)C 55f45a09a65d1215663de3b544f7bffa [1,0,0,0,0,0|3,0,0]=4 1356 B10R0.4 COCCNCCCC(=O)N 3366a20ef5f34fb858c3abad3caa2a69 [1,0,0,0,0,0|3,0,0]=4 1357 B10R0.4 COCCNCCCC(=O)O 80c02cc92019d5cbde133d36aaa74f6c [1,0,0,0,0,0|2,0,0]=3 1358 B10R0.4 COCCOCCCC(=O)C 814d4c7715849242ef07ecf4e095ea3c [1,0,0,0,0,0|3,0,0]=4 1359 B10R0.4 COCCOCCCC(=O)N bba16ea9a96393ace4cf5b7a8814abe8 [1,0,0,0,0,0|3,0,0]=4 1360 B10R0.4 COCCOCCCC(=O)O 72bf5da1d6d66c17ef3fa61bc44b144e [1,0,0,0,0,0|2,0,0]=3 1361 B10R0.4 COCCOCNCC(=O)O cd266e853014bc3bf1df1688ada37b80 [1,0,0,0,0,0|3,0,0]=4 1362 B10R0.4 COCCOCOCC(=O)O 33e2dc082653111369a9ebb0f3dd1517 [1,0,0,0,0,0|3,0,0]=4 1363 B10R0.4 COCNCCCCC(=O)N 85c058a17ec321a858a8ef8d4a5f2f44 [1,0,0,0,0,0|3,0,0]=4 1364 B10R0.4 COCNCCCCC(=O)O ab3a9a9d4707dc728acea20d8c742102 [1,0,0,0,0,0|2,0,0]=3 1365 B10R0.4 COCNCCOCC(=O)O 6547e77a18253d21f97f7a9f8e829291 [1,0,0,0,0,0|3,0,0]=4 1366 B10R0.4 COCNCCSCC(=O)O 111b0bec8abf6ce7a99b740e747e3a45 [1,0,0,0,0,0|3,0,0]=4 1367 B10R0.4 COCOCCCCC(=O)C 31ba6cdadd5f588fbe30e1778be6a744 [1,0,0,0,0,0|3,0,0]=4 1368 B10R0.4 COCOCCCCC(=O)N b601d7a15bdc64cf284ed2c6beda8bf6 [1,0,0,0,0,0|3,0,0]=4 1369 B10R0.4 COCOCCCCC(=O)O 1b557b71d3e61c8258a3d16cc8108d48 [1,0,0,0,0,0|2,0,0]=3 1370 B10R0.4 COCOCCNCC(=O)O dff72b6a005901315460df825cad1590 [1,0,0,0,0,0|3,0,0]=4 1371 B10R0.4 COCOCCOCC(=O)O dbe7814731404918520e20e0c8a9d8a0 [1,0,0,0,0,0|3,0,0]=4 1372 B10R0.4 CSCCCCNCC(=O)N be908afb84997a5fe3c895d3fa896e8c [1,0,0,0,0,0|3,0,0]=4 1373 B10R0.4 CSCCCCNCC(=O)O fe5f17285810fe796abbdf4483e3c94f [1,0,0,0,0,0|2,0,0]=3 1374 B10R0.4 CSCCCCOCC(=O)N 0dad99c49ad626422ed7bea97669fab3 [1,0,0,0,0,0|3,0,0]=4 1375 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [1,0,0,0,0,0|2,0,0]=3 1376 B10R0.4 CSCCCNCCC(=O)C ba6ca44757cb501b77af5fad9f076f1f [1,0,0,0,0,0|3,0,0]=4 1377 B10R0.4 CSCCCNCCC(=O)N e135727b2665adc7ad4ec6a340cd1057 [1,0,0,0,0,0|3,0,0]=4 1378 B10R0.4 CSCCCNCCC(=O)O ebcd26378cbdddef3de03c919f85430a [1,0,0,0,0,0|2,0,0]=3 1379 B10R0.4 CSCCCNCCS(=O)O fff4b35609eb4a31d60a63e82c389db0 [1,0,0,0,0,0|3,0,0]=4 1380 B10R0.4 CSCCCOCCC(=O)C 3ba9f69b4dabe21dca9b0f34d43e0e87 [1,0,0,0,0,0|3,0,0]=4 1381 B10R0.4 CSCCCOCCC(=O)N 059f372458e61e0fdbc119c74b3a1e7a [1,0,0,0,0,0|3,0,0]=4 1382 B10R0.4 CSCCCOCCC(=O)O 6b3756b593022d7d702b5e676fa25b5e [1,0,0,0,0,0|2,0,0]=3 1383 B10R0.4 CSCCNCCCC(=O)C b0f651d6cbd97ab9c605588c785a7c5a [1,0,0,0,0,0|3,0,0]=4 1384 B10R0.4 CSCCNCCCC(=O)N 27ccd8f61ba2aae2586ac16dceba42a9 [1,0,0,0,0,0|3,0,0]=4 1385 B10R0.4 CSCCNCCCC(=O)O 984273bed5ff75481a174286557b4f00 [1,0,0,0,0,0|2,0,0]=3 1386 B10R0.4 CSCCOCCCC(=O)C 5d591b5d8c802d0c0b966c0d6518b21f [1,0,0,0,0,0|3,0,0]=4 1387 B10R0.4 CSCCOCCCC(=O)N ee1765b132a381372bb1ce4a23f31025 [1,0,0,0,0,0|3,0,0]=4 1388 B10R0.4 CSCCOCCCC(=O)O 2169ad430e54ba0fc625bece4160068c [1,0,0,0,0,0|2,0,0]=3 1389 B10R0.4 CSCNCCCCC(=O)N 8c00d06979110a869b1d4265beb700c4 [1,0,0,0,0,0|3,0,0]=4 1390 B10R0.4 CSCNCCCCC(=O)O 5ded596d0e21db27702f9a71836c5d08 [1,0,0,0,0,0|2,0,0]=3 1391 B10R0.4 CSCNCCOCC(=O)O 9dde45d19d97a6d2f21ba3253fd6431d [1,0,0,0,0,0|3,0,0]=4 1392 B10R0.4 CSCNCCSCC(=O)O 99b5c3e65296e6ad64480ff1c9b17a6c [1,0,0,0,0,0|3,0,0]=4 1393 B10R0.4 CSCOCCCCC(=O)C ee5a6b63448e3c341dbf3ba139d160cd [1,0,0,0,0,0|3,0,0]=4 1394 B10R0.4 CSCOCCCCC(=O)N 0e831c89ec7a9470a1a6f979ef21ea30 [1,0,0,0,0,0|3,0,0]=4 1395 B10R0.4 CSCOCCCCC(=O)O 6c17dfeb22841c97ecacc91dd0ab17dc [1,0,0,0,0,0|2,0,0]=3 1396 B10R0.4 CSCOCCOCC(=O)O ea88c1837b26f67820b4a9f2fc3636a4 [1,0,0,0,0,0|3,0,0]=4 1397 B10R0.4 N#CCCCCNCC(=O)O 35d6d21b615d456356a1e3b53ec5c7fb [1,0,0,0,0,0|2,0,1]=4 1398 B10R0.4 N#CCCCCOCC(=O)O 3198be191b9513c8b3d591086f6dd40d [1,0,0,0,0,0|2,0,1]=4 1399 B10R0.4 N#CCCCNCCC(=O)O 96c4849221d8ece5f9633beba5cda804 [1,0,0,0,0,0|2,0,1]=4 1400 B10R0.4 N#CCCCOCCC(=O)O b9f13f1747e7c2c06328940072fcd095 [1,0,0,0,0,0|2,0,1]=4 1401 B10R0.4 N#CCCNCCCC(=O)O 5e132e7a513138323d64283138c29b14 [1,0,0,0,0,0|2,0,1]=4 1402 B10R0.4 N#CCCOCCCC(=O)O 90ef89a682d420686cb1b578ace69e00 [1,0,0,0,0,0|2,0,1]=4 1403 B10R0.4 N#CCNCCCCC(=O)O 96f5677770d74775f05b9aa85de7855d [1,0,0,0,0,0|2,0,1]=4 1404 B10R0.4 N#CCOCCCCC(=O)O 71c8ac6b7e619b724ff1a7cfa4142fb7 [1,0,0,0,0,0|2,0,1]=4 1405 B10R0.4 NC(=O)CCCCCNCF 168835141376a98e5d3e17441231488d [1,0,0,0,0,0|3,0,0]=4 1406 B10R0.4 NC(=O)CCCCCNCO c8d62efe9ddd27feee6ab28f94464eb3 [1,0,0,0,0,0|3,0,0]=4 1407 B10R0.4 NC(=O)CCCCCOCF 2addd4a9eb63485547e699d34a2e3bda [1,0,0,0,0,0|3,0,0]=4 1408 B10R0.4 NC(=O)CCCCNCCBr 1be305104caab4a4daf4dcf67a7d3373 [1,0,0,0,0,0|3,0,0]=4 1409 B10R0.4 NC(=O)CCCCNCCF 72fd08895d0cfec42cf5f8ad9cc7194f [1,0,0,0,0,0|3,0,0]=4 1410 B10R0.4 NC(=O)CCCCNCCI 78e76279c3418a2f92c0ffbc11c0ef60 [1,0,0,0,0,0|3,0,0]=4 1411 B10R0.4 NC(=O)CCCCNCCO 65a3f0ae966d6c5849294c99bfca067f [1,0,0,0,0,0|3,0,0]=4 1412 B10R0.4 NC(=O)CCCCNCCS ea711f8552c320ab0830eb07fa9f8a8e [1,0,0,0,0,0|3,0,0]=4 1413 B10R0.4 NC(=O)CCCCOCCF 1fa9ac85a773296f72491dce6168bff5 [1,0,0,0,0,0|3,0,0]=4 1414 B10R0.4 NC(=O)CCCCOCCS 5e773ef22e7ade0a618741541ea006e2 [1,0,0,0,0,0|3,0,0]=4 1415 B10R0.4 NC(=O)CCCNCCCCl b7463b528e977373efeab5bccf8216e8 [1,0,0,0,0,0|3,0,0]=4 1416 B10R0.4 NC(=O)CCCNCCCF beb6d533f51a08fb33d14624b0e967c0 [1,0,0,0,0,0|3,0,0]=4 1417 B10R0.4 NC(=O)CCCNCCCO b5e570a09bf7ce0f6958f6cf24cea4bf [1,0,0,0,0,0|3,0,0]=4 1418 B10R0.4 NC(=O)CCCNCCCS c06946ab4df4cd892041c2dcfa32b5ce [1,0,0,0,0,0|3,0,0]=4 1419 B10R0.4 NC(=O)CCCOCCCF 5dc0e0365cec6a86ae412df215c6ec75 [1,0,0,0,0,0|3,0,0]=4 1420 B10R0.4 NC(=O)CCCOCCCS da597ec925c094b7920b8d33c7a6d48b [1,0,0,0,0,0|3,0,0]=4 1421 B10R0.4 NC(=O)CCNCCCCCl 63105970c630efac409c486cadbffae8 [1,0,0,0,0,0|3,0,0]=4 1422 B10R0.4 NC(=O)CCNCCCCF f4d9a57afee09bbd8cf18840bf126164 [1,0,0,0,0,0|3,0,0]=4 1423 B10R0.4 NC(=O)CCNCCCCO db69f1b1124d2372ea58a136b572225b [1,0,0,0,0,0|3,0,0]=4 1424 B10R0.4 NC(=O)CCNCCCCS b6c83f4fb64e3ec4caa041b67ccc0077 [1,0,0,0,0,0|3,0,0]=4 1425 B10R0.4 NC(=O)CCOCCCCF b88b8093813004ba1f889bd23f7c96c9 [1,0,0,0,0,0|3,0,0]=4 1426 B10R0.4 NC(=O)CCOCCCCS 37caaf4852e726737cc27b3110550d16 [1,0,0,0,0,0|3,0,0]=4 1427 B10R0.4 NC(=O)CNCCCCCCl fd31e95bdf01f497eb7912a9a53f6494 [1,0,0,0,0,0|3,0,0]=4 1428 B10R0.4 NC(=O)CNCCCCCF f6c85c89a6d81f1c3ad25ca646ccff17 [1,0,0,0,0,0|3,0,0]=4 1429 B10R0.4 NC(=O)CNCCCCCO 7b34d60a58c145ac2efa7af0999699a8 [1,0,0,0,0,0|3,0,0]=4 1430 B10R0.4 NC(=O)COCCCCCF 2490632b700a7ac5785deea7c0a8c40c [1,0,0,0,0,0|3,0,0]=4 1431 B10R0.4 NOCCCCNCC(=O)O 70dadd5c846e10f66795cc83cee65fc1 [1,0,0,0,0,0|3,0,0]=4 1432 B10R0.4 O=C(O)CCCCCNCF 5010e9049fecfa0377d660157cc67715 [1,0,0,0,0,0|2,0,0]=3 1433 B10R0.4 O=C(O)CCCCCNCO 9f006abe272dfebb9f21f85b4e25f481 [1,0,0,0,0,0|2,0,0]=3 1434 B10R0.4 O=C(O)CCCCCOCF 71f72a753ed44d8087f81d2f875fc41b [1,0,0,0,0,0|2,0,0]=3 1435 B10R0.4 O=C(O)CCCCNCCF aa510449750017f96f3f1d1804b3727d [1,0,0,0,0,0|2,0,0]=3 1436 B10R0.4 O=C(O)CCCCNCCI 0252ad0383162f9fa94cd74a1313364e [1,0,0,0,0,0|2,0,0]=3 1437 B10R0.4 O=C(O)CCCCNCCO 278650aa09a4063af47118a1fddf5afa [1,0,0,0,0,0|2,0,0]=3 1438 B10R0.4 O=C(O)CCCCNCCS b836a13534f967d6f1dddb4786cb91a3 [1,0,0,0,0,0|2,0,0]=3 1439 B10R0.4 O=C(O)CCCCOCCF e9c9bf004bced3e5d4d08ac016f5c678 [1,0,0,0,0,0|2,0,0]=3 1440 B10R0.4 O=C(O)CCCCOCCS e9bbc58a5b43da00330d5dac53c10e5b [1,0,0,0,0,0|2,0,0]=3 1441 B10R0.4 O=C(O)CCCNCCCCl e7a82f437ef7ce7c511305c3bebf2ef2 [1,0,0,0,0,0|2,0,0]=3 1442 B10R0.4 O=C(O)CCCNCCCF 3c12d664e7366df0bac8121fcdb32907 [1,0,0,0,0,0|2,0,0]=3 1443 B10R0.4 O=C(O)CCCNCCCO 9a5e0cfff3cc3bd220fe4c019937f745 [1,0,0,0,0,0|2,0,0]=3 1444 B10R0.4 O=C(O)CCCOCCCF ef86cc67ffb85fea8a2e23ffd0be7146 [1,0,0,0,0,0|2,0,0]=3 1445 B10R0.4 O=C(O)CCNCCCCCl 15c8dbba8e6f22b07523ac4d29cb0ac3 [1,0,0,0,0,0|2,0,0]=3 1446 B10R0.4 O=C(O)CCNCCCCF f5d00c625d661c736577c0dc3ba36014 [1,0,0,0,0,0|2,0,0]=3 1447 B10R0.4 O=C(O)CCNCCCCO 1717076d72b743c651a0c543e687abfd [1,0,0,0,0,0|2,0,0]=3 1448 B10R0.4 O=C(O)CCNCCCCS 49b25c5bdb84f91f3248e476108ccc79 [1,0,0,0,0,0|2,0,0]=3 1449 B10R0.4 O=C(O)CCOCCCCF f1aba4d0fec36c39af00cdd25995f36c [1,0,0,0,0,0|2,0,0]=3 1450 B10R0.4 O=C(O)CCOCCCCS f440f233d2be0718d562a00417942445 [1,0,0,0,0,0|2,0,0]=3 1451 B10R0.4 O=C(O)CCOCCNCF b10b5c45064cfa3b61462f03de721399 [1,0,0,0,0,0|3,0,0]=4 1452 B10R0.4 O=C(O)CCOCCNCO e209915a2f35feaa6536a9cab51db950 [1,0,0,0,0,0|3,0,0]=4 1453 B10R0.4 O=C(O)CCOCCOCF 794036639e850bf79b0e6c6bb818a4b5 [1,0,0,0,0,0|3,0,0]=4 1454 B10R0.4 O=C(O)CNCCCCCCl a83b6bb993dd65ffba33eb2586cdf494 [1,0,0,0,0,0|2,0,0]=3 1455 B10R0.4 O=C(O)CNCCCCCF 4dbeaa853a61d08f169520460ad25911 [1,0,0,0,0,0|2,0,0]=3 1456 B10R0.4 O=C(O)CNCCCCCO 95121d7be2e3a87e4e81ec26c166df24 [1,0,0,0,0,0|2,0,0]=3 1457 B10R0.4 O=C(O)CNCCOCCO 61358dfe4f762e3239860abf51eb55a2 [1,0,0,0,0,0|3,0,0]=4 1458 B10R0.4 O=C(O)CNCCOCCS 925322d012b8e92ba4e47f9a5625ac74 [1,0,0,0,0,0|3,0,0]=4 1459 B10R0.4 O=C(O)CNCCSCCO 277ca89a0a517963cae207967b457e7c [1,0,0,0,0,0|3,0,0]=4 1460 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [1,0,0,0,0,0|2,0,0]=3 1461 B10R0.4 O=C(O)COCCNCCF 2e7d4e80e31c3481ef07788398a5dd6a [1,0,0,0,0,0|3,0,0]=4 1462 B10R0.4 O=C(O)COCCNCCI e3160e5e187ed431712741097b4ede2f [1,0,0,0,0,0|3,0,0]=4 1463 B10R0.4 O=C(O)COCCNCCO 1d28851cb10c60424a64961c961ad5e1 [1,0,0,0,0,0|3,0,0]=4 1464 B10R0.4 O=C(O)COCCNCCS 426b240fbe8b2d3c77fa7bc41add1fe2 [1,0,0,0,0,0|3,0,0]=4 1465 B10R0.4 O=C(O)COCCOCCF 98b6f4f719a60ef054da74892db23cca [1,0,0,0,0,0|3,0,0]=4 1466 B10R0.4 O=C(O)COCCOCCS 374d05928f0579f3109488a6dc4024e2 [1,0,0,0,0,0|3,0,0]=4 1467 B10R0.4 O=C(O)CSCCNCCF cb7168a71eceedaa9f2298994c7f8a7d [1,0,0,0,0,0|3,0,0]=4 1468 B10R0.4 O=C(O)CSCCNCCO f8149fa1464b0b22fccb9cf51e8861d6 [1,0,0,0,0,0|3,0,0]=4 1469 B10R0.4 O=C(O)CSCCNCCS 9c8f0db50c9a3907b8542969b9c22d43 [1,0,0,0,0,0|3,0,0]=4 1470 B10R0.4 O=CCCCCNCC(=O)O afa09eb7ad93095d62a13368a3c2af83 [1,0,0,0,0,0|2,0,1]=4 1471 B10R0.4 O=CCCCCOCC(=O)O bbd2ea09c7afe456618ef923b44a2447 [1,0,0,0,0,0|2,0,1]=4 1472 B10R0.4 O=CCCCNCCC(=O)O 8cfdc6a24de021fcf9eedd1564d48e87 [1,0,0,0,0,0|2,0,1]=4 1473 B10R0.4 O=CCCCOCCC(=O)O 6315c452ffa50a37c22ea75ed9b097ad [1,0,0,0,0,0|2,0,1]=4 1474 B10R0.4 O=CCCNCCCC(=O)O 4cf44d1235885a7352ee88704c953847 [1,0,0,0,0,0|2,0,1]=4 1475 B10R0.4 O=CCCOCCCC(=O)O eeaed839850eec036bbecf09fd02f04c [1,0,0,0,0,0|2,0,1]=4 1476 B10R0.4 O=CCNCCCCC(=O)O f97209a18d125e201a5732d6f0c937c4 [1,0,0,0,0,0|2,0,1]=4 1477 B10R0.4 O=CCOCCCCC(=O)O 77808aab3bd2e939797466d1a102c859 [1,0,0,0,0,0|2,0,1]=4 1478 B10R0.4 O=S(O)CCNCCCCF a6ebb461e61fd8b9709d31e16a4963d8 [1,0,0,0,0,0|3,0,0]=4 1479 B10R0.4 O=S(O)CCNCCCCO 77eee8cda74a4dc486213a9365905d5d [1,0,0,0,0,0|3,0,0]=4 1480 B10R0.4 O=S(O)COCCCCCF 402ddc7a1da086e0d2bc9a9fc3ebe9c1 [1,0,0,0,0,0|3,0,0]=4 1481 B10R0.71 C#CCCCCCCNC=O 05a9b2edbee3cf0f2b0f3bd7c7eaf71b [1,0,0,0,0,0|1,0,2]=4 1482 B10R0.71 C#CCCCCCCNCC 1e19a0a5664aee09e6c6b3ffa1908f78 [1,0,0,0,0,0|2,0,1]=4 1483 B10R0.71 C#CCCCCCCOCC f3ffc288f40af77abac880573467b1d7 [1,0,0,0,0,0|2,0,1]=4 1484 B10R0.71 C#CCCCCCNCC=O 7775796705480c14b477aa8ba0b73d15 [1,0,0,0,0,0|1,0,2]=4 1485 B10R0.71 C#CCCCCCNCCC f2f452bcb5375f68862be18112b09fe2 [1,0,0,0,0,0|2,0,1]=4 1486 B10R0.71 C#CCCCCCOCC=O 1a7b63a44d4399e82036303aec0b425b [1,0,0,0,0,0|1,0,2]=4 1487 B10R0.71 C#CCCCCCOCCC 2ca86650ff94084696655d61570ec525 [1,0,0,0,0,0|2,0,1]=4 1488 B10R0.71 C#CCCCCNCCC=O 9e1229f9a9bb5052897460aa98f345eb [1,0,0,0,0,0|1,0,2]=4 1489 B10R0.71 C#CCCCCNCCCC 0af8d0910ee398356821995ddc41e6bb [1,0,0,0,0,0|2,0,1]=4 1490 B10R0.71 C#CCCCCOCCC=O b837064fe3c8c314e6c3a263376427bb [1,0,0,0,0,0|1,0,2]=4 1491 B10R0.71 C#CCCCCOCCCC 155c3f8eb84354a374d6f5b6dbe37f94 [1,0,0,0,0,0|2,0,1]=4 1492 B10R0.71 C#CCCCNCCCC=O 9f0a182629b00e5b8b926b5385aaae66 [1,0,0,0,0,0|1,0,2]=4 1493 B10R0.71 C#CCCCNCCCCC 3fc4fe11920794e4bc955893ec779e02 [1,0,0,0,0,0|2,0,1]=4 1494 B10R0.71 C#CCCCOCCCC=O ac2481a510f99cbdb49ccadae8f6b767 [1,0,0,0,0,0|1,0,2]=4 1495 B10R0.71 C#CCCCOCCCCC cc690d207da9b887d991987e9f43900d [1,0,0,0,0,0|2,0,1]=4 1496 B10R0.71 C#CCCNCCCCC=O cbfdfc0ccb5aa7dabc377a4fe00a5332 [1,0,0,0,0,0|1,0,2]=4 1497 B10R0.71 C#CCCNCCCCCC 0f1ff853854e860e272478f5d2708f31 [1,0,0,0,0,0|2,0,1]=4 1498 B10R0.71 C#CCCOCCCCC=O c3207df27e03a4e14b4de4481563145c [1,0,0,0,0,0|1,0,2]=4 1499 B10R0.71 C#CCCOCCCCCC abc6fbb8106126804619f331a30d4f48 [1,0,0,0,0,0|2,0,1]=4 1500 B10R0.71 C#CCNCCCCCC=O 55ec4d848132d599b726647bdc62c41b [1,0,0,0,0,0|1,0,2]=4 1501 B10R0.71 C#CCNCCCCCCC aff9226f37cdf53f3ebb600cfdb1d4e4 [1,0,0,0,0,0|2,0,1]=4 1502 B10R0.71 C#CCOCCCCCC=O 670d4e31cbec64a959baed42b2a44631 [1,0,0,0,0,0|1,0,2]=4 1503 B10R0.71 C#CCOCCCCCCC 69fcb01c702e23b663d9a6d79c522ad8 [1,0,0,0,0,0|2,0,1]=4 1504 B10R0.71 C/C=C/CCCOCCC=O 099c08e5c9575bdb23438e08c620b76f [1,0,0,0,0,0|1,0,2]=4 1505 B10R0.71 C/C=C/CCCOCCCC 80f6cb269c0f24c47f7493f0858d135b [1,0,0,0,0,0|2,0,1]=4 1506 B10R0.71 C/C=C/CCOCCCC=O 46be8a5f234e47ed5f7141f11d130e36 [1,0,0,0,0,0|1,0,2]=4 1507 B10R0.71 C/C=C/CCOCCCCC b01a3aac6d31bf1181d3412f98b352d1 [1,0,0,0,0,0|2,0,1]=4 1508 B10R0.71 C/C=C/CNCCCCCC 23f0bb0d5026d859ab84031e8dc94320 [1,0,0,0,0,0|2,0,1]=4 1509 B10R0.71 C/C=C/COCCCCC=O c69191768fd3a5cdc75c8954e68658dc [1,0,0,0,0,0|1,0,2]=4 1510 B10R0.71 C/C=C/COCCCCCC 2cc86534d43c03349a69990f00a712f1 [1,0,0,0,0,0|2,0,1]=4 1511 B10R0.71 C/C=C\CCCNCCCC a73db25df80dfe021f7d70c1fcec0182 [1,0,0,0,0,0|2,0,1]=4 1512 B10R0.71 C/C=C\CCCOCCC=O ab415cdd81ed9ccdd379943059deca49 [1,0,0,0,0,0|1,0,2]=4 1513 B10R0.71 C/C=C\CCCOCCCC fe2923e9d84b92616f7a73a5334d712d [1,0,0,0,0,0|2,0,1]=4 1514 B10R0.71 C/C=C\CNCCCCCC 51c50a34f77d344a6f9e8db0e46ec177 [1,0,0,0,0,0|2,0,1]=4 1515 B10R0.71 C/C=C\COCCCCC=O 24a162bb69ad155abd28d7f92eba7dd3 [1,0,0,0,0,0|1,0,2]=4 1516 B10R0.71 C/C=C\COCCCCCC c3215f168781748ebc00617e7f23375f [1,0,0,0,0,0|2,0,1]=4 1517 B10R0.71 C=CCCCCCCOCC 6dbc32c9d3b20eeb8cee0cf24e365bb6 [1,0,0,0,0,0|2,0,0]=3 1518 B10R0.71 C=CCCCCCCOCF ba1085398d79272f1df34421ffc4b321 [1,0,0,0,0,0|3,0,0]=4 1519 B10R0.71 C=CCCCCCNCC=O 1857f30dc3e8a82c4ddeaf06239a23fd [1,0,0,0,0,0|1,0,2]=4 1520 B10R0.71 C=CCCCCCNCCBr 7bf3adb49983192e0a8a49d177e7c6d5 [1,0,0,0,0,0|3,0,0]=4 1521 B10R0.71 C=CCCCCCNCCC 10e6b327fcac81e127610491b239e591 [1,0,0,0,0,0|2,0,0]=3 1522 B10R0.71 C=CCCCCCNCCF 545ec125c77923aedb12f5fa30e6e403 [1,0,0,0,0,0|3,0,0]=4 1523 B10R0.71 C=CCCCCCNCCI f42fafb7c249fa43bcc523bbd68cd00c [1,0,0,0,0,0|3,0,0]=4 1524 B10R0.71 C=CCCCCCNCCO f7d0f86a115b9f08d659030c944cd614 [1,0,0,0,0,0|3,0,0]=4 1525 B10R0.71 C=CCCCCCNCCS 286ec5ad0e5df2090f8f8836e2b41e4f [1,0,0,0,0,0|3,0,0]=4 1526 B10R0.71 C=CCCCCCNCOC 233708827b1f4d8a3f2b7083fc16d74d [1,0,0,0,0,0|3,0,0]=4 1527 B10R0.71 C=CCCCCCNCSC bac6ae95292df5482b409d8114dd20a9 [1,0,0,0,0,0|3,0,0]=4 1528 B10R0.71 C=CCCCCCOCC=O 17fcd001972daa95e2aa4e2615b8135d [1,0,0,0,0,0|1,0,2]=4 1529 B10R0.71 C=CCCCCCOCCC c368b69977ea0df80586838beccded89 [1,0,0,0,0,0|2,0,0]=3 1530 B10R0.71 C=CCCCCCOCCF 734cc28cc4a5f7558737cac3edb12039 [1,0,0,0,0,0|3,0,0]=4 1531 B10R0.71 C=CCCCCCOCCS 94aa1e74af85f030ba930f29a08bce42 [1,0,0,0,0,0|3,0,0]=4 1532 B10R0.71 C=CCCCCCOCOC c4f73474bfbaed5a5008259b51390465 [1,0,0,0,0,0|3,0,0]=4 1533 B10R0.71 C=CCCCCCOCSC 1e3818424f37fdb9d235665bd11df4d0 [1,0,0,0,0,0|3,0,0]=4 1534 B10R0.71 C=CCCCCNCCC=O a2c3ff4b816f5d65313535b507c6cbd9 [1,0,0,0,0,0|1,0,2]=4 1535 B10R0.71 C=CCCCCNCCCC 70afaf74cdc590f950a8db01489534df [1,0,0,0,0,0|2,0,0]=3 1536 B10R0.71 C=CCCCCNCCCCl 7af7e1af65edab0a6717c6b733cccc11 [1,0,0,0,0,0|3,0,0]=4 1537 B10R0.71 C=CCCCCNCCCF 8e0c86b3441409ec5487d6539b73b387 [1,0,0,0,0,0|3,0,0]=4 1538 B10R0.71 C=CCCCCNCCCO b18ea8f54bcf0000513f0386a3bb6063 [1,0,0,0,0,0|3,0,0]=4 1539 B10R0.71 C=CCCCCNCCCS e5431df90afe2bb79d627e5ea46397ca [1,0,0,0,0,0|3,0,0]=4 1540 B10R0.71 C=CCCCCNCCOC 786d3f09922ed6c0722700a1bd75b378 [1,0,0,0,0,0|3,0,0]=4 1541 B10R0.71 C=CCCCCNCCSC 01226b9c0d36f6bb1806bda8f3acb402 [1,0,0,0,0,0|3,0,0]=4 1542 B10R0.71 C=CCCCCNCOCC 51303c5783c3feb3f6855a2871b3540a [1,0,0,0,0,0|3,0,0]=4 1543 B10R0.71 C=CCCCCOCCC=O c6eb9fb2bd78e7e77bf2a5932883614a [1,0,0,0,0,0|1,0,2]=4 1544 B10R0.71 C=CCCCCOCCCC eb8efda51eb20afeb995d9abe3ad7654 [1,0,0,0,0,0|2,0,0]=3 1545 B10R0.71 C=CCCCCOCCCF 882effedca18ba9d76d5432268d28dd7 [1,0,0,0,0,0|3,0,0]=4 1546 B10R0.71 C=CCCCCOCCCS 4610456b9469d4f7a47d1de5e7c1a580 [1,0,0,0,0,0|3,0,0]=4 1547 B10R0.71 C=CCCCCOCCOC beaf1f660f7ab609a3dc41d5755c99ba [1,0,0,0,0,0|3,0,0]=4 1548 B10R0.71 C=CCCCCOCCSC 7e9a6d2a6cc0774d4201294a93f9f0c9 [1,0,0,0,0,0|3,0,0]=4 1549 B10R0.71 C=CCCCCOCOCC 6c9aff78c3a6f8b44539d4f844376310 [1,0,0,0,0,0|3,0,0]=4 1550 B10R0.71 C=CCCCNCCCC=O c52fd472e2bf7610bc96af228930c678 [1,0,0,0,0,0|1,0,2]=4 1551 B10R0.71 C=CCCCNCCCCC 4a774e72e8691531f796e4ee77ce73c0 [1,0,0,0,0,0|2,0,0]=3 1552 B10R0.71 C=CCCCNCCCCCl 1b109389c014c694ea933d73567abda3 [1,0,0,0,0,0|3,0,0]=4 1553 B10R0.71 C=CCCCNCCCCF 029bc42d8a0b683e267a8eb12b743875 [1,0,0,0,0,0|3,0,0]=4 1554 B10R0.71 C=CCCCNCCCCO f895e67e13a89b3cac3415d11f625144 [1,0,0,0,0,0|3,0,0]=4 1555 B10R0.71 C=CCCCNCCCCS ac2ec8045b3c43a624981479a96f5ca7 [1,0,0,0,0,0|3,0,0]=4 1556 B10R0.71 C=CCCCNCCCOC a7f009dc279f74d049c98f6d37a588b9 [1,0,0,0,0,0|3,0,0]=4 1557 B10R0.71 C=CCCCNCCCSC 9e01f8d4bd65ed7f2d8e2ca572bfc08a [1,0,0,0,0,0|3,0,0]=4 1558 B10R0.71 C=CCCCNCCOCC 62ea0dd704158d31de06de291bc63a20 [1,0,0,0,0,0|3,0,0]=4 1559 B10R0.71 C=CCCCNCCSCC 29c7159c4e6223fa58843144aa147917 [1,0,0,0,0,0|3,0,0]=4 1560 B10R0.71 C=CCCCOCCCC=O ac2ab3e9791e20bb61b6db6076e36f71 [1,0,0,0,0,0|1,0,2]=4 1561 B10R0.71 C=CCCCOCCCCC 63a6d257d062f7533d7c287ac671b0fd [1,0,0,0,0,0|2,0,0]=3 1562 B10R0.71 C=CCCCOCCCCF 952a847e61654223bb0241852f015143 [1,0,0,0,0,0|3,0,0]=4 1563 B10R0.71 C=CCCCOCCCCS f09d3b032011a0a9e18545d5583de1ca [1,0,0,0,0,0|3,0,0]=4 1564 B10R0.71 C=CCCCOCCCOC d7deb59385122a839a8401306610164a [1,0,0,0,0,0|3,0,0]=4 1565 B10R0.71 C=CCCCOCCCSC ad51f8f942451d088b0e431034c1e47a [1,0,0,0,0,0|3,0,0]=4 1566 B10R0.71 C=CCCCOCCOCC ca9ee4097e2a67b08c0160ac163b8609 [1,0,0,0,0,0|3,0,0]=4 1567 B10R0.71 C=CCCCOCCSCC 27e062ab7235ed703545608430a82314 [1,0,0,0,0,0|3,0,0]=4 1568 B10R0.71 C=CCCNCCCCC=O 19bd29bdffbf8d56067253e4b3eef3c1 [1,0,0,0,0,0|1,0,2]=4 1569 B10R0.71 C=CCCNCCCCCC 76e5dd4d3273056eb014515e2136d33d [1,0,0,0,0,0|2,0,0]=3 1570 B10R0.71 C=CCCNCCCCCCl f24a979e2bc618bda77c9da3df558937 [1,0,0,0,0,0|3,0,0]=4 1571 B10R0.71 C=CCCNCCCCCF f4440dbd77cf312ed56e47e12976f870 [1,0,0,0,0,0|3,0,0]=4 1572 B10R0.71 C=CCCNCCCCCO 62f9adf3d7c33e75a7a4174782adecbf [1,0,0,0,0,0|3,0,0]=4 1573 B10R0.71 C=CCCNCCCCOC 6ab83d32bf7be366cc7c4768404e0809 [1,0,0,0,0,0|3,0,0]=4 1574 B10R0.71 C=CCCNCCCCSC 161d280e5306f8cf5463229ad260169c [1,0,0,0,0,0|3,0,0]=4 1575 B10R0.71 C=CCCNCCCOCC b39e8cdd61b4a3c9315e9d70a2cbd65f [1,0,0,0,0,0|3,0,0]=4 1576 B10R0.71 C=CCCNCCCSCC 3b56015ae375511aaf56970d70861c13 [1,0,0,0,0,0|3,0,0]=4 1577 B10R0.71 C=CCCNCCOCCC 25cbce5d53836cf04b1e9eb740c13274 [1,0,0,0,0,0|3,0,0]=4 1578 B10R0.71 C=CCCNCOCCCC 86099dee29166c8afb9c107bd9b94389 [1,0,0,0,0,0|3,0,0]=4 1579 B10R0.71 C=CCCOCCCCC=O e2033db401aa897564a821f32794cad1 [1,0,0,0,0,0|1,0,2]=4 1580 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [1,0,0,0,0,0|2,0,0]=3 1581 B10R0.71 C=CCCOCCCCCF cfc3c428871d275f9e4b4b3dbc1b497a [1,0,0,0,0,0|3,0,0]=4 1582 B10R0.71 C=CCCOCCCCOC ad566a33374e76128a9847d1fb0443f7 [1,0,0,0,0,0|3,0,0]=4 1583 B10R0.71 C=CCCOCCCCSC 57509db3b18f2853353a533d0e0b566c [1,0,0,0,0,0|3,0,0]=4 1584 B10R0.71 C=CCCOCCCOCC b2c88cfa57bfadeeaee796424e50f5e4 [1,0,0,0,0,0|3,0,0]=4 1585 B10R0.71 C=CCCOCCCSCC a77239e8331c15c431fe09cc9b1883ff [1,0,0,0,0,0|3,0,0]=4 1586 B10R0.71 C=CCCOCCOCCC a215d287aabcc25785a7e7ead8bace8c [1,0,0,0,0,0|3,0,0]=4 1587 B10R0.71 C=CCCOCCSCCC c41fc4981244c2bc8021af470203300f [1,0,0,0,0,0|3,0,0]=4 1588 B10R0.71 C=CCCOCOCCCC f6dccb17feb468898b2eba86d86ac26e [1,0,0,0,0,0|3,0,0]=4 1589 B10R0.71 C=CCNCCCCCCC 2a2fd85d2768fa551513c1f6e6f4458d [1,0,0,0,0,0|2,0,0]=3 1590 B10R0.71 C=CCNCCCCCCCl 1b73fcaa69e1a5d687f32f9305dd3f6d [1,0,0,0,0,0|3,0,0]=4 1591 B10R0.71 C=CCNCCCCCCO c8d7270168b36f18582f9070243a7abc [1,0,0,0,0,0|3,0,0]=4 1592 B10R0.71 C=CCNCCCCCOC 4ccbf7ba0304aff1cf7348f7e053fcaf [1,0,0,0,0,0|3,0,0]=4 1593 B10R0.71 C=CCNCCCCSCC 65e8cfb569a227cb69aed2bf0da03d39 [1,0,0,0,0,0|3,0,0]=4 1594 B10R0.71 C=CCNCCCOCCC ed0d780c98cb9e64315ded14898bbb64 [1,0,0,0,0,0|3,0,0]=4 1595 B10R0.71 C=CCNCCOCCCC 35f0986719b3f9a8c793b5807b5a8184 [1,0,0,0,0,0|3,0,0]=4 1596 B10R0.71 C=CCOCCCCCCC 817dc73f818a9c2b13aa69014917ad92 [1,0,0,0,0,0|2,0,0]=3 1597 B10R0.71 C=CCOCCCCCCF f709cb79d0ca41f317d6e8357e9568a7 [1,0,0,0,0,0|3,0,0]=4 1598 B10R0.71 C=CCOCCCCCCS a5836358633975ddc0a2aa7700ac4cc7 [1,0,0,0,0,0|3,0,0]=4 1599 B10R0.71 C=CCOCCNCCCC e0570ef9f8739d6bbd2a74a6f96e9cc4 [1,0,0,0,0,0|3,0,0]=4 1600 B10R0.71 C=CCOCCOCCCC e98f10a71c7642e93a50bfdf835e4866 [1,0,0,0,0,0|3,0,0]=4 1601 B10R0.71 C=CCOCCSCCCC 50145e0a8a07b0f7e86e2d532683b9de [1,0,0,0,0,0|3,0,0]=4 1602 B10R0.71 C=COCCCCOCCC acdc1c9c66ac69f67b0b371a301168b2 [1,0,0,0,0,0|3,0,0]=4 1603 B10R0.71 C=COCCCNCCCC 966b6b85202649a3e5dbe59bfd7541e2 [1,0,0,0,0,0|3,0,0]=4 1604 B10R0.71 C=COCCNCCCCC 38c3a227ee0b31b1e34558e1e2def1c6 [1,0,0,0,0,0|3,0,0]=4 1605 B10R0.71 C=COCCOCCCCC 30fae63f28005e24e70d255fb5a94d91 [1,0,0,0,0,0|3,0,0]=4 1606 B10R0.71 CC#CCCCOCCC=O c4158c333bfea008c1a14c25059383c0 [1,0,0,0,0,0|1,0,2]=4 1607 B10R0.71 CC#CCCOCCCC=O 5bbb98deec173a005b309123b37e9108 [1,0,0,0,0,0|1,0,2]=4 1608 B10R0.71 CC#CCNCCCCC=O 19c94db88b64037aee8b3ab0479039d3 [1,0,0,0,0,0|1,0,2]=4 1609 B10R0.71 CC#CCOCCCCC=O 4acd5c60d7061a3a747e7866ed28b4b1 [1,0,0,0,0,0|1,0,2]=4 1610 B10R0.71 CC/C=C/CCOCCC=O 6872b8e489d755d1798fb75aec622df4 [1,0,0,0,0,0|1,0,2]=4 1611 B10R0.71 CC/C=C/COCCCC=O 829bce9be10f62a1676336886e3aa317 [1,0,0,0,0,0|1,0,2]=4 1612 B10R0.71 CC/C=C\CCCOCC=O 36e95cc5d25b5bd1fc3c8ddd865fe102 [1,0,0,0,0,0|1,0,2]=4 1613 B10R0.71 CC/C=C\CCOCCC=O d85d7dfe4e2e6e8d032a753a156249ad [1,0,0,0,0,0|1,0,2]=4 1614 B10R0.71 CC/C=C\COCCCC=O 7aa3cddfd58e704fd000ac2756cf879c [1,0,0,0,0,0|1,0,2]=4 1615 B10R0.71 CC=CCCCOCCC=O 97c9f6fdd6a4de3b92d2d85ba134118f [1,0,0,0,0,0|1,0,2]=4 1616 B10R0.71 CC=CCCCOCCCC b937b4ad4c5d1a608e7129c714e871ac [1,0,0,0,0,0|2,0,1]=4 1617 B10R0.71 CC=CCNCCCCC=O d8b092d9ef5e9f30b928b9bc7ef62f08 [1,0,0,0,0,0|1,0,2]=4 1618 B10R0.71 CC=CCNCCCCCC a2b3321184d80eccc150605d97b3fa96 [1,0,0,0,0,0|2,0,1]=4 1619 B10R0.71 CC=CCOCCCCC=O 85eab19089cebb2153fb1e7f93e60c1a [1,0,0,0,0,0|1,0,2]=4 1620 B10R0.71 CC=CCOCCCCCC a58ad78e13367fd9a0795b0d0efdc386 [1,0,0,0,0,0|2,0,1]=4 1621 B10R0.71 CCC#CCCOCCC=O a46289a66c37693b52210ff15eeb933c [1,0,0,0,0,0|1,0,2]=4 1622 B10R0.71 CCC#CCOCCCC=O 4339f66af91a0ba4934fcb70cd256a8e [1,0,0,0,0,0|1,0,2]=4 1623 B10R0.71 CCC/C=C/COCCC=O 2985825f9f2f1ee44f6f28b6672d0787 [1,0,0,0,0,0|1,0,2]=4 1624 B10R0.71 CCC/C=C\CCOCC=O bafc16685d9283edaafa3b74eddd7417 [1,0,0,0,0,0|1,0,2]=4 1625 B10R0.71 CCC/C=C\COCCC=O 90027f964f08a36f67d97f789a91a0ae [1,0,0,0,0,0|1,0,2]=4 1626 B10R0.71 CCCC#CCCOCC=O 1d16b611a59e99eef91337b76bd4244f [1,0,0,0,0,0|1,0,2]=4 1627 B10R0.71 CCCC#CCOCCC=O dc2bb48970135f495cd72fbe1d02703b [1,0,0,0,0,0|1,0,2]=4 1628 B10R0.71 CCCC/C=C/COCC=O beced0b5bd1f0998d6317bc3f33a4b94 [1,0,0,0,0,0|1,0,2]=4 1629 B10R0.71 CCCCC#CCOCC=O 9a0dc6aec17464bbeea4ad4e9c70dbf6 [1,0,0,0,0,0|1,0,2]=4 1630 B10R0.71 CCCCCCCCNC#N 7445c948f6631b9d7692f2c79595c0b8 [1,0,0,0,0,0|2,0,1]=4 1631 B10R0.71 CCCCCCCCNC=O bc03f137b33aec3f705c81e5d5bac7bb [1,0,0,0,0,0|1,0,0]=2 1632 B10R0.71 CCCCCCCCNCC f45798325e076f51813ed9475990e935 [1,0,0,0,0,0|2,0,1]=4 1633 B10R0.71 CCCCCCCCNCF eba3784a27d0163aaddd6d4d0640d8cb [1,0,0,0,0,0|2,0,1]=4 1634 B10R0.71 CCCCCCCCNCO 62a2dae03ae16e5c5d74011b3e38bc6b [1,0,0,0,0,0|1,0,1]=3 1635 B10R0.71 CCCCCCCCOCC fdf9c57b26dc59eebf4df9f9dff7ab11 [1,0,0,0,0,0|2,0,1]=4 1636 B10R0.71 CCCCCCCCOCF 7d6ea1593b941dac758ff903c420f174 [1,0,0,0,0,0|2,0,1]=4 1637 B10R0.71 CCCCCCCNCC#N 7879b1d72cdd88fea0c9b9478bea255f [1,0,0,0,0,0|2,0,1]=4 1638 B10R0.71 CCCCCCCNCC=O bfb56bc7341eb925b4f8d6df80cbc0e0 [1,0,0,0,0,0|1,0,0]=2 1639 B10R0.71 CCCCCCCNCCBr 153a3c6e2c01a151374cf28481aa6eb9 [1,0,0,0,0,0|2,0,1]=4 1640 B10R0.71 CCCCCCCNCCC 8f428c22239379f79b42eeff6f848027 [1,0,0,0,0,0|2,0,1]=4 1641 B10R0.71 CCCCCCCNCCF 0cbe21085ad34c7f5a2177d0ffae2a78 [1,0,0,0,0,0|2,0,1]=4 1642 B10R0.71 CCCCCCCNCCI b568dedc350f2457598188b0074522f8 [1,0,0,0,0,0|2,0,1]=4 1643 B10R0.71 CCCCCCCNCCO b00594b2eda448f3d37260fcc9ae8d77 [1,0,0,0,0,0|1,0,1]=3 1644 B10R0.71 CCCCCCCNCCS 83786bb22ec9056731e6cce6fe301f14 [1,0,0,0,0,0|1,1,1]=4 1645 B10R0.71 CCCCCCCNCOC f2d51f45d743c2c6bb60d201a5c48204 [1,0,0,0,0,0|3,0,0]=4 1646 B10R0.71 CCCCCCCNCSC 2214e2f762d7beb04324a118c724f12c [1,0,0,0,0,0|3,0,0]=4 1647 B10R0.71 CCCCCCCOCC#N b53295304faef45cab9990e9f30e24dc [1,0,0,0,0,0|2,0,1]=4 1648 B10R0.71 CCCCCCCOCC=O 85a03949435365a6a1fdeda7013cb46a [1,0,0,0,0,0|1,0,0]=2 1649 B10R0.71 CCCCCCCOCCC 2dbba9d2fa88b26583f5d2ac3d741b24 [1,0,0,0,0,0|2,0,1]=4 1650 B10R0.71 CCCCCCCOCCF 2e8dd6a0af3d2b30f6f325a750e2f8e8 [1,0,0,0,0,0|2,0,1]=4 1651 B10R0.71 CCCCCCCOCCS d905d762a9b7d322c87213c7c56ba37f [1,0,0,0,0,0|1,1,1]=4 1652 B10R0.71 CCCCCCCOCOC 5ce19ed9c6e4108e173e3dc063eaeb4e [1,0,0,0,0,0|3,0,0]=4 1653 B10R0.71 CCCCCCCOCSC 08ad92cc4f51e014a7301f82e1b9552e [1,0,0,0,0,0|3,0,0]=4 1654 B10R0.71 CCCCCCNC/C=C/Cl a434be9488fb4e5f67e78ecb14455099 [1,0,0,0,0,0|2,0,1]=4 1655 B10R0.71 CCCCCCNC/C=C\Cl f568565a0a16d34d673b3191da6e715f [1,0,0,0,0,0|2,0,1]=4 1656 B10R0.71 CCCCCCNC/C=C\O 6d75b641deaa8953d1d240b2b8f20ca8 [1,0,0,0,0,0|1,0,1]=3 1657 B10R0.71 CCCCCCNCCC#N 693da38782169220ae9c8e0fb667537f [1,0,0,0,0,0|2,0,1]=4 1658 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [1,0,0,0,0,0|1,0,0]=2 1659 B10R0.71 CCCCCCNCCCC 20be2e0525a624157bc2fad46d2186d5 [1,0,0,0,0,0|2,0,1]=4 1660 B10R0.71 CCCCCCNCCCCl 798c3b78fda1b44bfc2a5866fd849b4a [1,0,0,0,0,0|2,0,1]=4 1661 B10R0.71 CCCCCCNCCCF ec8ad93e9495e1afdc7ceb0355e5c789 [1,0,0,0,0,0|2,0,1]=4 1662 B10R0.71 CCCCCCNCCCO 5bc4d9addd0075b9ea454b7e30b2b20c [1,0,0,0,0,0|1,0,1]=3 1663 B10R0.71 CCCCCCNCCCS 8c1aea017c53a004a3a57f13df4016f5 [1,0,0,0,0,0|1,1,1]=4 1664 B10R0.71 CCCCCCNCCOC d8a9b2ae4f4d1a2408c43a2120d332fc [1,0,0,0,0,0|3,0,0]=4 1665 B10R0.71 CCCCCCNCCON a505f41316dcdbfcd75441f02b1c8680 [1,0,0,0,0,0|3,0,0]=4 1666 B10R0.71 CCCCCCNCCSC 03f05656133e75b7ef05cf7e7a9686cd [1,0,0,0,0,0|3,0,0]=4 1667 B10R0.71 CCCCCCOC/C=C/Cl 9b845a9faee5eb30dccd92e1d125045d [1,0,0,0,0,0|2,0,1]=4 1668 B10R0.71 CCCCCCOC/C=C\Cl 6c622b8755434309310cd777f350ff13 [1,0,0,0,0,0|2,0,1]=4 1669 B10R0.71 CCCCCCOCC=CCl f46dbeda2bf4ea0706f085cbc02d1831 [1,0,0,0,0,0|2,0,1]=4 1670 B10R0.71 CCCCCCOCCC#N df918a6bf56055cc68eaa0febc6250f6 [1,0,0,0,0,0|2,0,1]=4 1671 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [1,0,0,0,0,0|1,0,0]=2 1672 B10R0.71 CCCCCCOCCCC 938d0ec0b6adc0f1b39dbfc036e22e02 [1,0,0,0,0,0|2,0,1]=4 1673 B10R0.71 CCCCCCOCCCF 96181b976d7354be2077b197619bb942 [1,0,0,0,0,0|2,0,1]=4 1674 B10R0.71 CCCCCCOCCCS 5fa58b5367e16182182d2f61e5d955a0 [1,0,0,0,0,0|1,1,1]=4 1675 B10R0.71 CCCCCCOCCOC 498c1d974b36c5798a5345f99389e8d2 [1,0,0,0,0,0|3,0,0]=4 1676 B10R0.71 CCCCCCOCCSC a2fa5d10e923435988e5eb6eaf926cde [1,0,0,0,0,0|3,0,0]=4 1677 B10R0.71 CCCCCNCCCC#N 9aca619b0d30b921b988c4bbfa3127bd [1,0,0,0,0,0|2,0,1]=4 1678 B10R0.71 CCCCCNCCCC=O 6680464fa50f8e11fa1a82d02cb758f7 [1,0,0,0,0,0|1,0,0]=2 1679 B10R0.71 CCCCCNCCCCC fc6b1fbee2ae20e668586a93426dce7b [1,0,0,0,0,0|2,0,1]=4 1680 B10R0.71 CCCCCNCCCCCl c701e49df4eef1470e682606de3ca8f1 [1,0,0,0,0,0|2,0,1]=4 1681 B10R0.71 CCCCCNCCCCF d279fc520ee48aeaa07407924d2d74d7 [1,0,0,0,0,0|2,0,1]=4 1682 B10R0.71 CCCCCNCCCCO 379ab0235e165758d05e13f64b0667e2 [1,0,0,0,0,0|1,0,1]=3 1683 B10R0.71 CCCCCNCCCCS d84e183bdfafbaad537c0d200ed48999 [1,0,0,0,0,0|1,1,1]=4 1684 B10R0.71 CCCCCNCCCOC 59c794b1fdced6fe10e73b7eec0b61f4 [1,0,0,0,0,0|3,0,0]=4 1685 B10R0.71 CCCCCNCCCSC 1a943155b12e5db9b108db3f8ef5622d [1,0,0,0,0,0|3,0,0]=4 1686 B10R0.71 CCCCCOC/C=C/C=O dd701f6f2acb2f0b3775b86bb7a39725 [1,0,0,0,0,0|1,0,2]=4 1687 B10R0.71 CCCCCOCCCC#N f9fbb269f112ce98f5b6b142866aa01e [1,0,0,0,0,0|2,0,1]=4 1688 B10R0.71 CCCCCOCCCC=O 37cad7ef5e51a341a4958cbb40245746 [1,0,0,0,0,0|1,0,0]=2 1689 B10R0.71 CCCCCOCCCCC 6be65cbda65609b70fc256077c9081b0 [1,0,0,0,0,0|2,0,1]=4 1690 B10R0.71 CCCCCOCCCCF 1e52934387d4e6196e1ae9a21a139f63 [1,0,0,0,0,0|2,0,1]=4 1691 B10R0.71 CCCCCOCCCCS 0279225295d1c82256f6e5c11abe7674 [1,0,0,0,0,0|1,1,1]=4 1692 B10R0.71 CCCCCOCCCOC 35a4ac119007b84148d4ce463e8bfcd6 [1,0,0,0,0,0|3,0,0]=4 1693 B10R0.71 CCCCCOCCCSC 83f486b530f56d8364c21230e353c7ad [1,0,0,0,0,0|3,0,0]=4 1694 B10R0.71 CCCCCOCCNC=O 11bc3670960456d027b99f450c9cd405 [1,0,0,0,0,0|2,0,0]=3 1695 B10R0.71 CCCCCOCCOC=O f65c1673d6dd413a755f7700c7d8cf80 [1,0,0,0,0,0|2,0,0]=3 1696 B10R0.71 CCCCNCCCCC#N 6d679df2f23a414633e17e2d079b94cb [1,0,0,0,0,0|2,0,1]=4 1697 B10R0.71 CCCCNCCCCC=O dbb1efb0684adf2cb0a6d780179e9b96 [1,0,0,0,0,0|1,0,0]=2 1698 B10R0.71 CCCCNCCCCCCl 17907e10bc8ae216fc19d4f50e0355d8 [1,0,0,0,0,0|2,0,1]=4 1699 B10R0.71 CCCCNCCCCCF ecb524fdab50cb363fd9220f41e81b56 [1,0,0,0,0,0|2,0,1]=4 1700 B10R0.71 CCCCNCCCCCO a568cb73440f8b5eb1a832482c6c8aa1 [1,0,0,0,0,0|1,0,1]=3 1701 B10R0.71 CCCCNCCCCOC 8a51345137a99f78ee92600b49d2fddb [1,0,0,0,0,0|3,0,0]=4 1702 B10R0.71 CCCCNCCCCON e04267b4cc174037c5dfa38636efb861 [1,0,0,0,0,0|3,0,0]=4 1703 B10R0.71 CCCCNCCCCSC 834064ffffe2ca860260d790d8b507c6 [1,0,0,0,0,0|3,0,0]=4 1704 B10R0.71 CCCCNCCOCC=O 787911224950c5a6a26ccf3d666907ba [1,0,0,0,0,0|2,0,0]=3 1705 B10R0.71 CCCCNCCOCCO 80115239ef9f78352b2ee441d10a1b65 [1,0,0,0,0,0|2,0,1]=4 1706 B10R0.71 CCCCNCCSCCO 0347ac7aaf85116de46287a5ecc74d9a [1,0,0,0,0,0|2,0,1]=4 1707 B10R0.71 CCCCOCCCCC#N 02ae7f84fca96cad6d15d62b1cbefcac [1,0,0,0,0,0|2,0,1]=4 1708 B10R0.71 CCCCOCCCCC=O 87caad785ee1de0ab8952b818b81a155 [1,0,0,0,0,0|1,0,0]=2 1709 B10R0.71 CCCCOCCCCCF aead05b2f46a954a77fb9b0d46a831a1 [1,0,0,0,0,0|2,0,1]=4 1710 B10R0.71 CCCCOCCCCOC 1c665f9a80dbcc19a2506b93b11eeab3 [1,0,0,0,0,0|3,0,0]=4 1711 B10R0.71 CCCCOCCCCSC 7e846181e45c3a440b01cd8ef8df47c8 [1,0,0,0,0,0|3,0,0]=4 1712 B10R0.71 CCCCOCCCNC=O 1df83f1971a73005dd333cd8848e6b5c [1,0,0,0,0,0|2,0,0]=3 1713 B10R0.71 CCCCOCCCNCO 02310b457d19aea630613cfc6ae43a82 [1,0,0,0,0,0|2,0,1]=4 1714 B10R0.71 CCCCOCCNCC=O fd05767acbc686cedfc374265ff72d9e [1,0,0,0,0,0|2,0,0]=3 1715 B10R0.71 CCCCOCCNCCO cd255df0d112d9e8c8ef0cac0591fd4e [1,0,0,0,0,0|2,0,1]=4 1716 B10R0.71 CCCCOCCOCC=O a6901254910c713b78cc0e091da1f627 [1,0,0,0,0,0|2,0,0]=3 1717 B10R0.71 CCCCOCNCCCO d649bca14d69eef2b8a68b32f4a61d75 [1,0,0,0,0,0|2,0,1]=4 1718 B10R0.71 CCCCOCOCCC=O 4113d4be8e23f116c4dc8d3c5b040f92 [1,0,0,0,0,0|2,0,0]=3 1719 B10R0.71 CCCCSCCOCC=O 8f29c60b682aa461112b864e43be5ea6 [1,0,0,0,0,0|2,0,0]=3 1720 B10R0.71 CCCNCCCCCC#N e5c4a75f299bf3b158afe44bcc08b22a [1,0,0,0,0,0|2,0,1]=4 1721 B10R0.71 CCCNCCCCCC=O ea13b9738fa632ac5ce864b8fef8c315 [1,0,0,0,0,0|1,0,0]=2 1722 B10R0.71 CCCNCCCCCCCl d9d02325ceabb1236feca69f9d260e06 [1,0,0,0,0,0|2,0,1]=4 1723 B10R0.71 CCCNCCCCCCF 47bd30d6c6ebb4154ccfd3d84e3dd907 [1,0,0,0,0,0|2,0,1]=4 1724 B10R0.71 CCCNCCCCCCO 957198384cd9904d687345e1f1a839fe [1,0,0,0,0,0|1,0,1]=3 1725 B10R0.71 CCCNCCCCCOC fbe0af6a29e7bb390546dc0f24f036df [1,0,0,0,0,0|3,0,0]=4 1726 B10R0.71 CCCNCCCOCCO 85649ddd4b7bb8ea6cc1e32801747e8c [1,0,0,0,0,0|2,0,1]=4 1727 B10R0.71 CCCNCCOCCCO ce755d26bb38d7d0db74dd93ed4f675f [1,0,0,0,0,0|2,0,1]=4 1728 B10R0.71 CCCOCCCCCC#N 80cf8a7ea89988cb83fb563eca704e39 [1,0,0,0,0,0|2,0,1]=4 1729 B10R0.71 CCCOCCCCCC=O f9a394720b00a6dd92dae6c05c91a7d4 [1,0,0,0,0,0|1,0,0]=2 1730 B10R0.71 CCCOCCCCCCF 72ffe3589386c933c936da7caa3f7256 [1,0,0,0,0,0|2,0,1]=4 1731 B10R0.71 CCCOCCCCCCS 9237106df74f11c16d22d77a5b29e426 [1,0,0,0,0,0|1,1,1]=4 1732 B10R0.71 CCCOCCCCCOC f0f1181da96b58975534715e6947023c [1,0,0,0,0,0|3,0,0]=4 1733 B10R0.71 CCCOCCCNCC=O 380a74b5572ab40033143e1f26511a2c [1,0,0,0,0,0|2,0,0]=3 1734 B10R0.71 CCCOCCCNCCO 0a8b4b1c66e483def5426f3f2c79fc1b [1,0,0,0,0,0|2,0,1]=4 1735 B10R0.71 CCCOCCNC/C=C\O 24f540f0543cc566be8fba3667e5ba87 [1,0,0,0,0,0|2,0,1]=4 1736 B10R0.71 CCCOCCNCCC=O 6df960592cc3aedec5ccbd3598ac6a82 [1,0,0,0,0,0|2,0,0]=3 1737 B10R0.71 CCCOCCNCCCO e044842af3e92ff7eb92db45482811f4 [1,0,0,0,0,0|2,0,1]=4 1738 B10R0.71 CCCOCCOCCC=O aa0e7647691e5c2da56a1510f534f744 [1,0,0,0,0,0|2,0,0]=3 1739 B10R0.71 CCCSCCCCNC=O cdfb35b8e32d72964621f5e08adec4c6 [1,0,0,0,0,0|2,0,0]=3 1740 B10R0.71 CCCSCCCCNCO d64656b2ed2aecb983e9bf8bbe18d3d1 [1,0,0,0,0,0|2,0,1]=4 1741 B10R0.71 CCCSCCOCCC=O 04aca3fd2855c5ae48462fe4887f3d74 [1,0,0,0,0,0|2,0,0]=3 1742 B10R0.71 CCNCCCCCCCO fc9b8a8b51004dd7f2bdc1e19b84756b [1,0,0,0,0,0|1,0,1]=3 1743 B10R0.71 CCNCCCCSCCO 9cc3bb61eaf41c8a4923a6db1250aa82 [1,0,0,0,0,0|2,0,1]=4 1744 B10R0.71 CCNCCCOCCCO 47d0e11f0fe7477fa63a8b913e01e66b [1,0,0,0,0,0|2,0,1]=4 1745 B10R0.71 CCOCCCCCCOC 4054b0cb119b3fa57bc1a0eeb14de41e [1,0,0,0,0,0|3,0,0]=4 1746 B10R0.71 CCOCCCNC/C=C\O e644c1e517867eced6d3547252ec6cf9 [1,0,0,0,0,0|2,0,1]=4 1747 B10R0.71 CCOCCCNCCC=O 919c30e425f23fce621e7b3f87b21a82 [1,0,0,0,0,0|2,0,0]=3 1748 B10R0.71 CCOCCCNCCCO b075d31a0576ac4ce5af21cb018680ed [1,0,0,0,0,0|2,0,1]=4 1749 B10R0.71 CCOCCCOCCC=O 92e4346ec52c6edbbc2511fd64330f33 [1,0,0,0,0,0|2,0,0]=3 1750 B10R0.71 CCOCCNCCCC=O a8e3974e3a3fa2b0a2c573f75b0c1bfc [1,0,0,0,0,0|2,0,0]=3 1751 B10R0.71 CCOCCNCCCCO c2765a5f377f959beb3e3c80dc514c5d [1,0,0,0,0,0|2,0,1]=4 1752 B10R0.71 CCOCCOCCCC=O b24127ff9c79cd4d7017e2d84818fe52 [1,0,0,0,0,0|2,0,0]=3 1753 B10R0.71 CCOCCOCCNC=O ae616aea066de2e8dae386596c350480 [1,0,0,0,0,0|3,0,0]=4 1754 B10R0.71 CCOCCOCCOC=O cd8105de360c73ea87c3d33588a475a7 [1,0,0,0,0,0|3,0,0]=4 1755 B10R0.71 CCOCNCCCCCO 342967161ee32ea30677a794bea2e604 [1,0,0,0,0,0|2,0,1]=4 1756 B10R0.71 CCOCOCCCCC=O 806ea60cee9ee60c73146305a4648194 [1,0,0,0,0,0|2,0,0]=3 1757 B10R0.71 CCOCOCCOCC=O df49dbf77001264fefed3b2aa792403c [1,0,0,0,0,0|3,0,0]=4 1758 B10R0.71 CCSCCCCNCC=O 1ab6546c36a47293d1614a30d9ce2b9b [1,0,0,0,0,0|2,0,0]=3 1759 B10R0.71 CCSCCCCNCCO d49169998c95c8ac05194e3d506507c0 [1,0,0,0,0,0|2,0,1]=4 1760 B10R0.71 CCSCCCNCCCO 47d2735b827a9b180dc3f69415f85455 [1,0,0,0,0,0|2,0,1]=4 1761 B10R0.71 CCSCCCOCCC=O b3576a09b39df7307cc45f7dc67d57ae [1,0,0,0,0,0|2,0,0]=3 1762 B10R0.71 CCSCCNCCCC=O cd3237ae64f38a142c6c221750b0fc89 [1,0,0,0,0,0|2,0,0]=3 1763 B10R0.71 CCSCCNCCCCO 193cb6b252a8317350402e130583726e [1,0,0,0,0,0|2,0,1]=4 1764 B10R0.71 CCSCCOCCCC=O 0e80ab4c57e8d8dffb2a4be0fb1f4459 [1,0,0,0,0,0|2,0,0]=3 1765 B10R0.71 CCSCCOCCNC=O 3c7f5d5048d018a31705b4fbc42cd1f1 [1,0,0,0,0,0|3,0,0]=4 1766 B10R0.71 CCSCCOCCOC=O 6da303f3a52377f4ba0a272546a9f335 [1,0,0,0,0,0|3,0,0]=4 1767 B10R0.71 COCCCCCNCC=O d231ec695157b503cb2910caa76afab4 [1,0,0,0,0,0|2,0,0]=3 1768 B10R0.71 COCCCCCNCCO a4e90d1195ad0a2e045d4e3da7d08436 [1,0,0,0,0,0|2,0,1]=4 1769 B10R0.71 COCCCCNC/C=C\O 9b5ffee0b3db29abff14105c3d5aff3a [1,0,0,0,0,0|2,0,1]=4 1770 B10R0.71 COCCCCNCCC=O bcf1db108f2651749489c3b772b7f80b [1,0,0,0,0,0|2,0,0]=3 1771 B10R0.71 COCCCCNCCCO e680b9774f4f9b4a017e9897fb0e030c [1,0,0,0,0,0|2,0,1]=4 1772 B10R0.71 COCCCCOCCC=O 920c024d9ff9bded6a53740612fb580d [1,0,0,0,0,0|2,0,0]=3 1773 B10R0.71 COCCCNCCCC=O 9aed4760aa5268d3defa3d9fe6e72fc2 [1,0,0,0,0,0|2,0,0]=3 1774 B10R0.71 COCCCNCCCCO bbb0a0cab4d8bfd8f0a4628529389dc7 [1,0,0,0,0,0|2,0,1]=4 1775 B10R0.71 COCCCOCCCC=O 79af4fe20b656d14d46dea2166989e4d [1,0,0,0,0,0|2,0,0]=3 1776 B10R0.71 COCCCOCCNC=O d5fc58f2fc351320ccb23346f6db3ee0 [1,0,0,0,0,0|3,0,0]=4 1777 B10R0.71 COCCCOCCOC=O f1eb81de4a4564fc9b373c8bbac086ae [1,0,0,0,0,0|3,0,0]=4 1778 B10R0.71 COCCNCCCCC=O bc6c422265c6e9088c0106f323f77ea0 [1,0,0,0,0,0|2,0,0]=3 1779 B10R0.71 COCCNCCCCCO 9c9ec868dcc297038561eacd64e4095b [1,0,0,0,0,0|2,0,1]=4 1780 B10R0.71 COCCNCCOCC=O 051e219f8ef7272f3a10441539efff25 [1,0,0,0,0,0|3,0,0]=4 1781 B10R0.71 COCCOCCCCC=O 6b541abfc9aefb5f7d5b8f086dc51d76 [1,0,0,0,0,0|2,0,0]=3 1782 B10R0.71 COCCOCCCNC=O ba532e589e4b745aca42389059191602 [1,0,0,0,0,0|3,0,0]=4 1783 B10R0.71 COCCOCCNCC=O 8aeefd7c7878c619addff66e33f08377 [1,0,0,0,0,0|3,0,0]=4 1784 B10R0.71 COCCOCCOCC=O 177897e12b65cb3451f30446f701b656 [1,0,0,0,0,0|3,0,0]=4 1785 B10R0.71 COCCOCOCCC=O 0581bfab3081f3b6e0287550171c6223 [1,0,0,0,0,0|3,0,0]=4 1786 B10R0.71 COCNCCCCCCO f2859e933bab15050a7e0cdf65c99b0d [1,0,0,0,0,0|2,0,1]=4 1787 B10R0.71 COCOCCCCCC=O dfd5ba090977dea135c94b805c3e2c51 [1,0,0,0,0,0|2,0,0]=3 1788 B10R0.71 COCOCCOCCC=O 745758f570463a33831a032e7602aa51 [1,0,0,0,0,0|3,0,0]=4 1789 B10R0.71 CSCCCCNC/C=C\O 3991566fa0546ff31ab1d79ccc76a7f5 [1,0,0,0,0,0|2,0,1]=4 1790 B10R0.71 CSCCCCNCCC=O a4fbba1777d91296aec29086c8318691 [1,0,0,0,0,0|2,0,0]=3 1791 B10R0.71 CSCCCCNCCCO 536a2256947d5d7bf96225f7139cf4a5 [1,0,0,0,0,0|2,0,1]=4 1792 B10R0.71 CSCCCCOCCC=O 6a065f146be1eb60def066554b747dd2 [1,0,0,0,0,0|2,0,0]=3 1793 B10R0.71 CSCCCNCCCC=O 01ee3ec09855ef4a2876bdf4a5baa2f8 [1,0,0,0,0,0|2,0,0]=3 1794 B10R0.71 CSCCCNCCCCO 5f679e72bf6dab4f5df47d48b627fed0 [1,0,0,0,0,0|2,0,1]=4 1795 B10R0.71 CSCCCOCCCC=O 0e1c9223f3e4d89f214ccc3111c47256 [1,0,0,0,0,0|2,0,0]=3 1796 B10R0.71 CSCCCOCCNC=O b143a976c1117c753e2af0d3fd122da4 [1,0,0,0,0,0|3,0,0]=4 1797 B10R0.71 CSCCCOCCOC=O 28f006d32935d42bc81e670c1cb0bdfc [1,0,0,0,0,0|3,0,0]=4 1798 B10R0.71 CSCCNCCCCC=O 215548d3cae35566d21205f69c801c10 [1,0,0,0,0,0|2,0,0]=3 1799 B10R0.71 CSCCNCCCCCO fba793a3b8c32572b1d4ce0517f57c72 [1,0,0,0,0,0|2,0,1]=4 1800 B10R0.71 CSCCNCCOCC=O c4c27760f59e935c18becc4916cbd6ab [1,0,0,0,0,0|3,0,0]=4 1801 B10R0.71 CSCCOCCCCC=O 8a74c1eee42229a729429931600634e6 [1,0,0,0,0,0|2,0,0]=3 1802 B10R0.71 CSCCOCCCNC=O ab1000dbec3c5183aa0e8fb14508f01c [1,0,0,0,0,0|3,0,0]=4 1803 B10R0.71 CSCCOCCOCC=O 8ed4e9916856253c5f82ab571e630ad0 [1,0,0,0,0,0|3,0,0]=4 1804 B10R0.71 CSCNCCCCCCO 2c18020d880691af439100daf483c0d4 [1,0,0,0,0,0|2,0,1]=4 1805 B10R0.71 N#CCCCCCNCC=O 4a9fb8a2b8ab172d4937381b743efbac [1,0,0,0,0,0|2,0,1]=4 1806 B10R0.71 N#CCCCCCOCC=O a3947feecab0e44016eb9ffd9ae0940a [1,0,0,0,0,0|2,0,1]=4 1807 B10R0.71 N#CCCCCNCCC=O 9965f8c1f18740268d80b3173e4e75b0 [1,0,0,0,0,0|2,0,1]=4 1808 B10R0.71 N#CCCCCOCCC=O 9547e16b467759d33dc88bacb51daeb2 [1,0,0,0,0,0|2,0,1]=4 1809 B10R0.71 N#CCCCNCCCC=O a2d94e8911a81a48e39ea84723271521 [1,0,0,0,0,0|2,0,1]=4 1810 B10R0.71 N#CCCCOCCCC=O 970f6ec388a9aef6da425194dac1b063 [1,0,0,0,0,0|2,0,1]=4 1811 B10R0.71 N#CCCNCCCCC=O 69b9953a332c3dac14b584126d0c4938 [1,0,0,0,0,0|2,0,1]=4 1812 B10R0.71 N#CCCOCCCCC=O 152ab39619fd8691a39fb3de68ed1030 [1,0,0,0,0,0|2,0,1]=4 1813 B10R0.71 N#CCNCCCCCC=O d8492e393a76ffaa853a50da2b9da0aa [1,0,0,0,0,0|2,0,1]=4 1814 B10R0.71 N#CCOCCCCCC=O 09f00f8627f235e55a6c44fb65d22ac3 [1,0,0,0,0,0|2,0,1]=4 1815 B10R0.71 N#CNCCCCCCC=O 946fe8a54034e927dda9755e131c14d5 [1,0,0,0,0,0|2,0,1]=4 1816 B10R0.71 NOCCNCCCCC=O b00c46a19146f802b142a2ba8cebc299 [1,0,0,0,0,0|3,0,0]=4 1817 B10R0.71 O/C=C\CNCCCCCCl 4080c042f08c12e403ba179332a3d05e [1,0,0,0,0,0|2,0,1]=4 1818 B10R0.71 O/C=C\CNCCCCCO 3b4ac709cf4268b2b7162e6f3b44dbc9 [1,0,0,0,0,0|2,0,1]=4 1819 B10R0.71 O=CCCCCCNCCBr 78a7aefd34cc88e0f0c146e2c35dddd4 [1,0,0,0,0,0|2,0,0]=3 1820 B10R0.71 O=CCCCCCNCCF 8ec67bf27bdfb4ce363f89db0d0a753a [1,0,0,0,0,0|2,0,0]=3 1821 B10R0.71 O=CCCCCCNCCI 746bf6a802a07fbe06377e7f3d05bef2 [1,0,0,0,0,0|2,0,0]=3 1822 B10R0.71 O=CCCCCCNCCO 5900fdcb8d23fb631caf7cedc101f7cc [1,0,0,0,0,0|2,0,0]=3 1823 B10R0.71 O=CCCCCCNCCS 2fb0ddc52aeddceed6eae09394c217aa [1,0,0,0,0,0|2,0,0]=3 1824 B10R0.71 O=CCCCCCOCCF 98cacaca4e8ede373811d5cde2ab4c9b [1,0,0,0,0,0|2,0,0]=3 1825 B10R0.71 O=CCCCCCOCCS 2f6108722dde7b523931d5c9372c1a36 [1,0,0,0,0,0|2,0,0]=3 1826 B10R0.71 O=CCCCCNCCCCl 66911fa23f4f0d1c07b1a30acbc0c86e [1,0,0,0,0,0|2,0,0]=3 1827 B10R0.71 O=CCCCCNCCCO 7d2ca72bf8bb26fa78069088f8a3b039 [1,0,0,0,0,0|2,0,0]=3 1828 B10R0.71 O=CCCCCOCCC=O f086a1c6e7343671e409ad844728febd [1,0,0,0,0,0|2,0,1]=4 1829 B10R0.71 O=CCCCCOCCCF bf25fb5f7b3fbecdce38c9cebf982cae [1,0,0,0,0,0|2,0,0]=3 1830 B10R0.71 O=CCCCCOCCCS f9b289c1addeb43020e2e407709becde [1,0,0,0,0,0|2,0,0]=3 1831 B10R0.71 O=CCCCNCCCCCl 01c07df0d04c5aa249d48ab88b16983b [1,0,0,0,0,0|2,0,0]=3 1832 B10R0.71 O=CCCCNCCCCO 07eb4dce5dd254d016caf3b4b0f853f3 [1,0,0,0,0,0|2,0,0]=3 1833 B10R0.71 O=CCCCNCCCCS 84ee6a41eb689af19538015c112b5fe9 [1,0,0,0,0,0|2,0,0]=3 1834 B10R0.71 O=CCCCOCCCC=O cb5c2aaa83aa62551625ab31eca13d6d [1,0,0,0,0,0|2,0,1]=4 1835 B10R0.71 O=CCCCOCCCCF 0ae42a4b5606397824b501f68d89475f [1,0,0,0,0,0|2,0,0]=3 1836 B10R0.71 O=CCCCOCCCCS 702c1d77a7590794fcf27cd7245f71c0 [1,0,0,0,0,0|2,0,0]=3 1837 B10R0.71 O=CCCNCCCCCCl 8c6536c28989c474ae6d35672a043025 [1,0,0,0,0,0|2,0,0]=3 1838 B10R0.71 O=CCCNCCCCCO e97db855c638d6ab4c487d701aef387d [1,0,0,0,0,0|2,0,0]=3 1839 B10R0.71 O=CCCNCCOCCO 3ca16780db7da3bdaa25a2de1a9cfbcc [1,0,0,0,0,0|3,0,0]=4 1840 B10R0.71 O=CCCNCCOCCS b2226727b831b34343b0eead8af39f25 [1,0,0,0,0,0|3,0,0]=4 1841 B10R0.71 O=CCCNCCSCCO 2516f37136a2a4b5a78ede863e797ab5 [1,0,0,0,0,0|3,0,0]=4 1842 B10R0.71 O=CCCOCCCCCF a2a70aef945b02fd2ca057b1ab953c12 [1,0,0,0,0,0|2,0,0]=3 1843 B10R0.71 O=CCCOCCOCCF 52f52ca14fa044d591f21417a716c8d5 [1,0,0,0,0,0|3,0,0]=4 1844 B10R0.71 O=CCCOCCOCCS 413af0d5d728c22cc2ffebe2fbad30c0 [1,0,0,0,0,0|3,0,0]=4 1845 B10R0.71 O=CCNCCCCCCCl 68b816c3cf0dbe44c5b6dbb1eb70e058 [1,0,0,0,0,0|2,0,0]=3 1846 B10R0.71 O=CCNCCCCCCO a01d155e25e8de1494aee669d2de79cd [1,0,0,0,0,0|2,0,0]=3 1847 B10R0.71 O=CCNCCCOCCO f8346bccc3f9d91be20972b25b651fb9 [1,0,0,0,0,0|3,0,0]=4 1848 B10R0.71 O=CCNCCOCCCO a16752a7bc3427e246dce63d06a06bda [1,0,0,0,0,0|3,0,0]=4 1849 B10R0.71 O=CCOCCCCCCF eb26fffba950986291b67a4251085ad8 [1,0,0,0,0,0|2,0,0]=3 1850 B10R0.71 O=CCOCCCCCCS 022fd987f7859973cf4950962786755e [1,0,0,0,0,0|2,0,0]=3 1851 B10R0.71 O=CCOCCNCCCCl 48b9787e0608b95defdc6f006cab24a6 [1,0,0,0,0,0|3,0,0]=4 1852 B10R0.71 O=CCOCCNCCCO 8873736f61a1f76c00a0e5f11773edb5 [1,0,0,0,0,0|3,0,0]=4 1853 B10R0.71 O=CCOCCOCCCF 5bff8fedf9eb90c187cbd80fbc727665 [1,0,0,0,0,0|3,0,0]=4 1854 B10R0.71 O=CCOCCOCCCS 66557e1b14fc2c65d93ab2088fef5614 [1,0,0,0,0,0|3,0,0]=4 1855 B10R0.71 O=CNCCCCCCCO 862a670259a59d4910de7b21ab417c1e [1,0,0,0,0,0|2,0,0]=3 1856 B10R0.71 O=CNCCCCSCCO 113be1ccd5ba9c40ecea4ca66f11e772 [1,0,0,0,0,0|3,0,0]=4 1857 B10R0.71 O=CNCCCOCCCO 09b4a54f3f222e5325faff177ef32d8a [1,0,0,0,0,0|3,0,0]=4 1858 B10R0.71 O=CNCCOCCCCF 7db000c09757df7662435df644771dae [1,0,0,0,0,0|3,0,0]=4 1859 B10R0.71 O=COCCOCCCCF daeb7ee7bc00c358a2f6948658a1fb5d [1,0,0,0,0,0|3,0,0]=4 1860 B10R0.71 OCCCCCCCNCF 89e09816a55bae9b6b856648bab51c48 [1,0,0,0,0,0|2,0,1]=4 1861 B10R0.71 OCCCCCCCNCO 80fccc105e20af1e1af9a49c91f16cd0 [1,0,0,0,0,0|2,0,1]=4 1862 B10R0.71 OCCCCCCNCCBr 553fecb754e159e2bd5c0d5b2932c876 [1,0,0,0,0,0|2,0,1]=4 1863 B10R0.71 OCCCCCCNCCF 1b169bdfb80ba61c6714c95c8b3d6768 [1,0,0,0,0,0|2,0,1]=4 1864 B10R0.71 OCCCCCCNCCI be84ca9424a4ae6dece3ab323db6b0c1 [1,0,0,0,0,0|2,0,1]=4 1865 B10R0.71 OCCCCCCNCCO 273922bfa3fe4a4663e43f7e307f9ceb [1,0,0,0,0,0|2,0,1]=4 1866 B10R0.71 OCCCCCCNCCS 93e1cd94d9ee12dd07b8e4136f52d11f [1,0,0,0,0,0|2,0,1]=4 1867 B10R0.71 OCCCCCNCCCCl a66c64e785b6ff44ef42d7160e14c2a5 [1,0,0,0,0,0|2,0,1]=4 1868 B10R0.71 OCCCCCNCCCF 50b3a9c0d03a8801f4e3adb3a3fcccb2 [1,0,0,0,0,0|2,0,1]=4 1869 B10R0.71 OCCCCCNCCCO 072a5f4ea609bc4de4e53ba65e8ed45e [1,0,0,0,0,0|2,0,1]=4 1870 B10R0.71 OCCCCCNCCCS ac447f37d9369f6412bbe09cfcfad84a [1,0,0,0,0,0|2,0,1]=4 1871 B10R0.71 OCCCCNCCCCCl 7bd505d159c87c5f4f67443650980998 [1,0,0,0,0,0|2,0,1]=4 1872 B10R0.71 OCCCCNCCCCF f5b849efef169df539bb8cf3c5e3f705 [1,0,0,0,0,0|2,0,1]=4 1873 B10R0.71 OCCCCNCCCCO 54c7baa1496a0472a98a5aa5b31fc6d8 [1,0,0,0,0,0|2,0,1]=4 1874 B10R0.71 OCCCCNCCCCS 3aa32fca5ab0eb9e1356e36b637eed09 [1,0,0,0,0,0|2,0,1]=4 1875 B10R0.71 OCCCNCCCCCCl d945c080f090736cd2679661c70ad929 [1,0,0,0,0,0|2,0,1]=4 1876 B10R0.71 OCCCNCCCCCF 0160daefb48a996acb910c63c049dc11 [1,0,0,0,0,0|2,0,1]=4 1877 B10R0.71 OCCNCCCCCCCl 79b9a5a7709c9484ebb57666642b4ad2 [1,0,0,0,0,0|2,0,1]=4 1878 B10R0.71 OCCNCCCCCCF 2d1a46b71da8cc78f8a4b65137161bb5 [1,0,0,0,0,0|2,0,1]=4 1879 B12R0.4 C#CCCCCCN(C)CC(=O)O d835dc130c92c02059edd644e996bcc7 [0,1,0,0,0,0|1,0,2]=4 1880 B12R0.4 C#CCCCCNC(C)CC(=O)O e41b2082293698e2fd3bd6eea02d3e19 [0,1,0,0,0,0|1,0,2]=4 1881 B12R0.4 C#CCCCCN[C@@H](C)CC(=O)O a73b6839394d4012aa54430dedf57b46 [0,1,0,0,0,0|1,0,2]=4 1882 B12R0.4 C#CCCCCN[C@H](C)CC(=O)O 965263e628cbb2d9a6c85575e35f0354 [0,1,0,0,0,0|1,0,2]=4 1883 B12R0.4 C#CCCCCOC(C)CC(=O)O 5b50ee41d23a252a8b23391abe5caa5e [0,1,0,0,0,0|1,0,2]=4 1884 B12R0.4 C#CCCCCO[C@@H](C)CC(=O)O 8296eb710831290bc181f561b4a1ade9 [0,1,0,0,0,0|1,0,2]=4 1885 B12R0.4 C#CCCCCO[C@H](C)CC(=O)O bb3b07ecdfef8cf37a0350960d96550e [0,1,0,0,0,0|1,0,2]=4 1886 B12R0.4 C#CCCCNCC(O)CC(=O)O 2e3f6009ccc2d231b28348b838717c17 [0,1,0,0,0,0|1,0,2]=4 1887 B12R0.4 C#CCCCNC[C@@H](O)CC(=O)O eb3ab2f036bb21b6e3f4ea06e861f3e3 [0,1,0,0,0,0|1,0,2]=4 1888 B12R0.4 C#CCCCNC[C@H](O)CC(=O)O 00ca208efffb54fb662998c5741fbf95 [0,1,0,0,0,0|1,0,2]=4 1889 B12R0.4 C#CCCNCCC(C)CC(=O)O 06c5ee2cd6d7089d474ac7d580ae7659 [0,1,0,0,0,0|1,0,2]=4 1890 B12R0.4 C#CCCOCCC(C)CC(=O)O 7f3fd5d4b2279673dc54850c54c2f774 [0,1,0,0,0,0|1,0,2]=4 1891 B12R0.4 C/C=C/CCCOC(C)CC(=O)O 08a0b57da7d096ab96926694af622c73 [0,1,0,0,0,0|1,0,2]=4 1892 B12R0.4 C/C=C/COCCC(C)CC(=O)O ea133b5a800efd50327dfcc24df0eb78 [0,1,0,0,0,0|1,0,2]=4 1893 B12R0.4 C/C=C\CCCNC(C)CC(=O)O 1bef15b001c8625aec4d866296a66e60 [0,1,0,0,0,0|1,0,2]=4 1894 B12R0.4 C/C=C\CCCN[C@@H](C)CC(=O)O 5b5168cd8339043f9078ab94f6d7749a [0,1,0,0,0,0|1,0,2]=4 1895 B12R0.4 C/C=C\CCCN[C@H](C)CC(=O)O 742c1bc5775f65b01a721330017d47af [0,1,0,0,0,0|1,0,2]=4 1896 B12R0.4 C/C=C\CCCOC(C)CC(=O)O 2a11687b62ba37c61034edc04bdf7144 [0,1,0,0,0,0|1,0,2]=4 1897 B12R0.4 C/C=C\CCCO[C@@H](C)CC(=O)O 765d0653fb67ddc4f285e35d4cda7374 [0,1,0,0,0,0|1,0,2]=4 1898 B12R0.4 C/C=C\CCCO[C@H](C)CC(=O)O 90fb449569ba3790bca1edece234f737 [0,1,0,0,0,0|1,0,2]=4 1899 B12R0.4 C/C=C\COCCC(C)CC(=O)O 2f627cdd21a7f9fc1518e3564268ffb5 [0,1,0,0,0,0|1,0,2]=4 1900 B12R0.4 C=C(Br)CN(C)CCCCCCC 9d211c1175adac47da06f39fb030641d [0,1,0,0,0,0|3,0,0]=4 1901 B12R0.4 C=C(C)CN(C)CCCCCCC e2e6954fc15de1596aa00eb497b517f6 [0,1,0,0,0,0|3,0,0]=4 1902 B12R0.4 C=C(Cl)CN(C)CCCCCCC 1aeaa2eeec473546854ac34cf70c31b5 [0,1,0,0,0,0|3,0,0]=4 1903 B12R0.4 C=CCCCCCN(C)CC(=O)O 7b0163be4673d542d0a16f2c7bce7a52 [0,1,0,0,0,0|1,0,2]=4 1904 B12R0.4 C=CCCCCNC(C)CC(=O)O 011657a722f11601404855eb54855f57 [0,1,0,0,0,0|1,0,2]=4 1905 B12R0.4 C=CCCCCN[C@@H](C)CC(=O)O f620bb14d3ceb4f46ac98bc6945adc4f [0,1,0,0,0,0|1,0,2]=4 1906 B12R0.4 C=CCCCCN[C@H](C)CC(=O)O 8a86baf1528b8fc13b2e2a5c69c68b60 [0,1,0,0,0,0|1,0,2]=4 1907 B12R0.4 C=CCCCCOC(C)CC(=O)O ea906df2c9e4455072f639f19e5cf575 [0,1,0,0,0,0|1,0,2]=4 1908 B12R0.4 C=CCCCCO[C@@H](C)CC(=O)O 93a63192a5caf8c861047d6de311ab7a [0,1,0,0,0,0|1,0,2]=4 1909 B12R0.4 C=CCCCCO[C@H](C)CC(=O)O f3785a760c326739b486d92a1ddf3650 [0,1,0,0,0,0|1,0,2]=4 1910 B12R0.4 C=CCCCNCC(O)CC(=O)O 3aca5598385efd1acee5186ae7908096 [0,1,0,0,0,0|1,0,2]=4 1911 B12R0.4 C=CCCCNC[C@@H](O)CC(=O)O 17daea0f69646b949695cc127cc0e71d [0,1,0,0,0,0|1,0,2]=4 1912 B12R0.4 C=CCCCNC[C@H](O)CC(=O)O d8fcf9745eb242d934b36a1568de736e [0,1,0,0,0,0|1,0,2]=4 1913 B12R0.4 C=CCCNCCC(C)CC(=O)O ab8d4ede9681303f78896d9504a166e4 [0,1,0,0,0,0|1,0,2]=4 1914 B12R0.4 C=CCCOCCC(C)CC(=O)O 9d2b8766ec04219aa6f6f4c65addc0bf [0,1,0,0,0,0|1,0,2]=4 1915 B12R0.4 CC#CCCCOC(C)CC(=O)O d130178084e316188b1df98a580d7784 [0,1,0,0,0,0|1,0,2]=4 1916 B12R0.4 CC#CCNCCC(C)CC(=O)O 3f504acba799c8d25b0205e0adf316a2 [0,1,0,0,0,0|1,0,2]=4 1917 B12R0.4 CC#CCOCCC(C)CC(=O)O 0d70a08ab5db7bc43b720440da81037d [0,1,0,0,0,0|1,0,2]=4 1918 B12R0.4 CC(CC(=O)N)OCCCCCF 76e45f275241311604351663ff98195e [0,1,0,0,0,0|3,0,0]=4 1919 B12R0.4 CC(CC(=O)O)NCCCCC#N c2a36bfa206cd2f33a8771406cee0c6f [0,1,0,0,0,0|2,0,1]=4 1920 B12R0.4 CC(CC(=O)O)NCCCCC=O 41a6caba8fed4e8d07d23ffc32658800 [0,1,0,0,0,0|2,0,1]=4 1921 B12R0.4 CC(CC(=O)O)NCCCCCCl a462dacafba94ef6eac2239645bbd216 [0,1,0,0,0,0|2,0,0]=3 1922 B12R0.4 CC(CC(=O)O)NCCCCCF 407eaa4426559b2c4e0e9b72b6ae08a7 [0,1,0,0,0,0|2,0,0]=3 1923 B12R0.4 CC(CC(=O)O)NCCCCCO f7c8c3534f2fd5f5d5f312dfcce774d9 [0,1,0,0,0,0|2,0,0]=3 1924 B12R0.4 CC(CC(=O)O)NCCCCON fea76bcf711f63c8b4c40a5963ed5fce [0,1,0,0,0,0|3,0,0]=4 1925 B12R0.4 CC(CC(=O)O)NCCOCCO ce82d8c9e1dfba8ba69777cac921c48f [0,1,0,0,0,0|3,0,0]=4 1926 B12R0.4 CC(CC(=O)O)NCCOCCS 72252e602ddcc4bf40c65a6a25c7327f [0,1,0,0,0,0|3,0,0]=4 1927 B12R0.4 CC(CC(=O)O)NCCSCCO b102e70b17f2fb764792ed767684782b [0,1,0,0,0,0|3,0,0]=4 1928 B12R0.4 CC(CC(=O)O)OCCCCC#N 05a69664982cf3769389e40e28db0563 [0,1,0,0,0,0|2,0,1]=4 1929 B12R0.4 CC(CC(=O)O)OCCCCC=O 3c51eac4c6f285b45e3b4cd0b8f666b6 [0,1,0,0,0,0|2,0,1]=4 1930 B12R0.4 CC(CC(=O)O)OCCCCCF 5e484f4806e088847a7e27c690c2ec17 [0,1,0,0,0,0|2,0,0]=3 1931 B12R0.4 CC(CC(=O)O)OCCOCCF 5a66d8eb213c5ffdfc5f94957eb8977b [0,1,0,0,0,0|3,0,0]=4 1932 B12R0.4 CC(CC(=O)O)OCCOCCS ee82b12c930723b9b179506a77a89663 [0,1,0,0,0,0|3,0,0]=4 1933 B12R0.4 CC(CCNCCC#N)CC(=O)O c7bb4c7ddeb5b6e87a2d7249df85f85e [0,1,0,0,0,0|2,0,1]=4 1934 B12R0.4 CC(CCNCCCCl)CC(=O)O 287914334f574cdb211793d0b852b525 [0,1,0,0,0,0|2,0,0]=3 1935 B12R0.4 CC(CCNCCCO)CC(=O)O 2fdf77f1ee5ddb3aeab5e967728bbbc8 [0,1,0,0,0,0|2,0,0]=3 1936 B12R0.4 CC(CCNCCON)CC(=O)O 9563aa5c107b387852cc6c2c7229459c [0,1,0,0,0,0|3,0,0]=4 1937 B12R0.4 CC(CCOCCC#N)CC(=O)O dff9d231373cb63faf5ed152f7c2d0c3 [0,1,0,0,0,0|2,0,1]=4 1938 B12R0.4 CC(CCOCCC=O)CC(=O)O 452ed6683c9363b9193d971c61886ebd [0,1,0,0,0,0|2,0,1]=4 1939 B12R0.4 CC(CCOCCCF)CC(=O)O 50d5391eb3471f023e52f1c567162e5c [0,1,0,0,0,0|2,0,0]=3 1940 B12R0.4 CC(CCOCCCS)CC(=O)O df2e24b5096ee9a973c650779a8dba23 [0,1,0,0,0,0|2,0,0]=3 1941 B12R0.4 CC/C=C/CCOC(C)CC(=O)O b03e472be641e9932124222ae0e4724b [0,1,0,0,0,0|1,0,2]=4 1942 B12R0.4 CC/C=C/CNCC(O)CC(=O)O 89f68cfa6b6c53db7c7352be935247e4 [0,1,0,0,0,0|1,0,2]=4 1943 B12R0.4 CC/C=C/CNC[C@@H](O)CC(=O)O 124ad756423f705666c691aead41e27e [0,1,0,0,0,0|1,0,2]=4 1944 B12R0.4 CC/C=C/CNC[C@H](O)CC(=O)O 9fb2608977f9db4518eeebc6f3c92ead [0,1,0,0,0,0|1,0,2]=4 1945 B12R0.4 CC/C=C\CCNC(C)CC(=O)O 510a291e0901aafd846fb92cc0aaa09a [0,1,0,0,0,0|1,0,2]=4 1946 B12R0.4 CC/C=C\CCN[C@@H](C)CC(=O)O b560a5c55c7d8647a59a6fa30337c17d [0,1,0,0,0,0|1,0,2]=4 1947 B12R0.4 CC/C=C\CCN[C@H](C)CC(=O)O 95392fe4b3f981067b6377c26627a64d [0,1,0,0,0,0|1,0,2]=4 1948 B12R0.4 CC/C=C\CCOC(C)CC(=O)O 2bd5ad8fd0667073d3ca18b3ccf88c01 [0,1,0,0,0,0|1,0,2]=4 1949 B12R0.4 CC/C=C\CCO[C@@H](C)CC(=O)O a487c4186e85492c43daca1111a8e781 [0,1,0,0,0,0|1,0,2]=4 1950 B12R0.4 CC/C=C\CCO[C@H](C)CC(=O)O 135a8ae179ee8a150b610bfc0986ede0 [0,1,0,0,0,0|1,0,2]=4 1951 B12R0.4 CC=CCCCOC(C)CC(=O)O a83c11655e0b20c984db7c6e59517262 [0,1,0,0,0,0|1,0,2]=4 1952 B12R0.4 CC=CCNCCC(C)CC(=O)O ca9f05de0db12eeb0c1af8755a4f8470 [0,1,0,0,0,0|1,0,2]=4 1953 B12R0.4 CC=CCOCCC(C)CC(=O)O 23c0c92b5817e47439d119b18520ed7a [0,1,0,0,0,0|1,0,2]=4 1954 B12R0.4 CCC/C=C/CNC(C)CC(=O)O ab084e950475932389e16758614f61df [0,1,0,0,0,0|1,0,2]=4 1955 B12R0.4 CCC/C=C/CN[C@@H](C)CC(=O)O 6cc6dab5ba80b2e570b7f4445f21f4a3 [0,1,0,0,0,0|1,0,2]=4 1956 B12R0.4 CCC/C=C/CN[C@H](C)CC(=O)O 05806f1f68408ec3045f50051a92f920 [0,1,0,0,0,0|1,0,2]=4 1957 B12R0.4 CCC/C=C/COC(C)CC(=O)O d48899041c9f81943bca43258b360174 [0,1,0,0,0,0|1,0,2]=4 1958 B12R0.4 CCC/C=C/CO[C@@H](C)CC(=O)O cf31cfab764af2511f0a45a146060821 [0,1,0,0,0,0|1,0,2]=4 1959 B12R0.4 CCC/C=C/CO[C@H](C)CC(=O)O 77ca58df376b2fa590e67aed4e881d27 [0,1,0,0,0,0|1,0,2]=4 1960 B12R0.4 CCC/C=C\CNC(C)CC(=O)O d2ea6dcc6cff3a5ffeda2cf39d56c2e3 [0,1,0,0,0,0|1,0,2]=4 1961 B12R0.4 CCC/C=C\CN[C@@H](C)CC(=O)O f9f33906e8a92ce22b67c289177af1c5 [0,1,0,0,0,0|1,0,2]=4 1962 B12R0.4 CCC/C=C\CN[C@H](C)CC(=O)O ed9fa85461b28762028467f8f4183089 [0,1,0,0,0,0|1,0,2]=4 1963 B12R0.4 CCC/C=C\COC(C)CC(=O)O e083af1dad2cc363c119732382cc5115 [0,1,0,0,0,0|1,0,2]=4 1964 B12R0.4 CCC/C=C\CO[C@@H](C)CC(=O)O 9336619b91f31acd6e8d08ce0561b0c1 [0,1,0,0,0,0|1,0,2]=4 1965 B12R0.4 CCC/C=C\CO[C@H](C)CC(=O)O 86974786c5a6b5aac89dece06b4bd235 [0,1,0,0,0,0|1,0,2]=4 1966 B12R0.4 CCCC/C=C/CN(C)CC(=O)O 96ee019b234a0d7e4682a290fe63ff59 [0,1,0,0,0,0|1,0,2]=4 1967 B12R0.4 CCCC/C=C\CN(C)CC(=O)O 9ecb6419a1cb5c265b8ab2465ff370df [0,1,0,0,0,0|1,0,2]=4 1968 B12R0.4 CCCCCCCN(C)CC(=O)N 7babf8b7e9c9e3f4d2a8f8c10490a36e [0,1,0,0,0,0|2,0,0]=3 1969 B12R0.4 CCCCCCCN(C)CC(=O)O 2a8ec6178d231ca3a2022f1eba3a0975 [0,1,0,0,0,0|1,0,0]=2 1970 B12R0.4 CCCCCCCN(C)CC(C)O 88feca56b34c0071fa7b4a34619f34d9 [0,1,0,0,0,0|2,0,1]=4 1971 B12R0.4 CCCCCCCN(C)C[C@@H](C)O 7c172e11e79cd7e87b9a99725a3e60f1 [0,1,0,0,0,0|2,0,1]=4 1972 B12R0.4 CCCCCCCN(C)C[C@H](C)O eeba1698a8237d9658c67a8c9c38cc26 [0,1,0,0,0,0|2,0,1]=4 1973 B12R0.4 CCCCCCCN(C)C[N+](=O)[O-] df6ef61ae30732922b8207e3509b085b [0,1,0,0,0,0|2,0,1]=4 1974 B12R0.4 CCCCCCC[C@H](C)NC(=O)C efa629917977f4356a0c237fa7923f0f [0,1,0,0,0,0|2,0,0]=3 1975 B12R0.4 CCCCCCNC(=O)CC(=O)C d23d026f954447033b6d79a6556609b8 [0,1,0,0,0,0|2,0,1]=4 1976 B12R0.4 CCCCCCNC(=O)CC(=O)N d295e03c4679f8c32bee089e434cf96d [0,1,0,0,0,0|2,0,1]=4 1977 B12R0.4 CCCCCCNC(C)CC(=O)O 1d4cde652ab467548cd9a30d2c612ac0 [0,1,0,0,0,0|1,0,0]=2 1978 B12R0.4 CCCCCCNC(C)CC(C)O b2a00b4b9b4f168db9a930bf770fcde1 [0,1,0,0,0,0|2,0,1]=4 1979 B12R0.4 CCCCCCNC(C)OC(=O)C 7f995dc2fd7650af9a5d83a43cfa9112 [0,1,0,0,0,0|3,0,0]=4 1980 B12R0.4 CCCCCCN[C@@H](C)CC(=O)O 8deb71992734c69dcd2dee032cb8ec29 [0,1,0,0,0,0|1,0,0]=2 1981 B12R0.4 CCCCCCN[C@H](C)CC(=O)O 911234cd7e78f2330ebe0fdd8a8635af [0,1,0,0,0,0|1,0,0]=2 1982 B12R0.4 CCCCCCOC(C)CC(=O)N fc2f2d4d3011eb92e2789f83a9484570 [0,1,0,0,0,0|2,0,0]=3 1983 B12R0.4 CCCCCCOC(C)CC(=O)O f4225b3e766040640b9fd17cd888aef0 [0,1,0,0,0,0|1,0,0]=2 1984 B12R0.4 CCCCCCOC(C)C[N+](=O)[O-] 8ada916f28c20e7f4b5a2ad4bbe79599 [0,1,0,0,0,0|2,0,1]=4 1985 B12R0.4 CCCCCCOC(C)OC(=O)C 60afb9a05366f8e360d0ed95ea7faeb3 [0,1,0,0,0,0|3,0,0]=4 1986 B12R0.4 CCCCCCO[C@@H](C)CC(=O)O e05a932cee4ddf9217b161d7af5fa013 [0,1,0,0,0,0|1,0,0]=2 1987 B12R0.4 CCCCCCO[C@H](C)CC(=O)O e81e1d5ef086ae65fd4d151e3abf1732 [0,1,0,0,0,0|1,0,0]=2 1988 B12R0.4 CCCCCNCC(=O)CC(=O)O 5f4873cc20819e864646a69b34166548 [0,1,0,0,0,0|1,0,1]=3 1989 B12R0.4 CCCCCNCC(O)CC(=O)O 642caecef057faea07b0e6f4c31f6ecd [0,1,0,0,0,0|1,0,0]=2 1990 B12R0.4 CCCCCNC[C@@H](O)CC(=O)O ba98d93aac74f49d69884cd63cd1d5f0 [0,1,0,0,0,0|1,0,0]=2 1991 B12R0.4 CCCCCNC[C@H](O)CC(=O)O 28bca3202b26d0b57f55175bc12bc7c7 [0,1,0,0,0,0|1,0,0]=2 1992 B12R0.4 CCCCCOCC(=O)CC(=O)O f3ab651635350170b77a82ab18290137 [0,1,0,0,0,0|1,0,1]=3 1993 B12R0.4 CCCCCOCC(C)NC(=O)C a4e8e8aa76c147eaa18593d259c0ae01 [0,1,0,0,0,0|3,0,0]=4 1994 B12R0.4 CCCCCOC[C@@H](C)NC(=O)C 192d13ac7c9f0bf686b01a761cfc6b68 [0,1,0,0,0,0|3,0,0]=4 1995 B12R0.4 CCCCNCCC(C)CC(=O)O 55bb5acd90b3edf10f904ac2640ffbdf [0,1,0,0,0,0|1,0,0]=2 1996 B12R0.4 CCCCOCCC(C)CC(=O)O 06fc54d24c270dc9b96451c515f7662e [0,1,0,0,0,0|1,0,0]=2 1997 B12R0.4 CCCCOCCN(C)CC(=O)C 10bb9729d8b8c2a2d4f71a45f702c85e [0,1,0,0,0,0|3,0,0]=4 1998 B12R0.4 CCCCOCCN(C)CC(=O)N 69e207aa523906aacbbd52e2c66ff560 [0,1,0,0,0,0|3,0,0]=4 1999 B12R0.4 CCCCOCCN(C)CC(=O)O b2ad7b4bb1e83f2db9a1ef4407a5eabc [0,1,0,0,0,0|2,0,0]=3 2000 B12R0.4 CCCCOCNC(C)CC(=O)O bd3b59ee67458d188074c8734993fa9a [0,1,0,0,0,0|2,0,0]=3 2001 B12R0.4 CCCCOCN[C@@H](C)CC(=O)O f3f52c7d8fb680c0a1d3c3b99a835523 [0,1,0,0,0,0|2,0,0]=3 2002 B12R0.4 CCCCOCN[C@H](C)CC(=O)O f0c6b651d08a0f3f958ae9f434f6d091 [0,1,0,0,0,0|2,0,0]=3 2003 B12R0.4 CCCCOCOC(C)CC(=O)N a887184dfaf6bb85902fd3aed9b182d6 [0,1,0,0,0,0|3,0,0]=4 2004 B12R0.4 CCCOCCCN(C)CC(=O)N 760bf098bea147117f9e02d3fe3f9e93 [0,1,0,0,0,0|3,0,0]=4 2005 B12R0.4 CCCOCCCN(C)CC(=O)O cc084a448a8cde4983311bcace617832 [0,1,0,0,0,0|2,0,0]=3 2006 B12R0.4 CCCOCCNC(C)CC(=O)O 7c624cdedf00c8f4a6f1a287dc19f4c5 [0,1,0,0,0,0|2,0,0]=3 2007 B12R0.4 CCCOCCN[C@@H](C)CC(=O)O 8b4628f45e78aae99594dda3cd4f5256 [0,1,0,0,0,0|2,0,0]=3 2008 B12R0.4 CCCOCCN[C@H](C)CC(=O)O d3e95700be02b89756d95e381e134507 [0,1,0,0,0,0|2,0,0]=3 2009 B12R0.4 CCCOCCOC(C)CC(=O)N 6303154ec48d66c191f21c05e0f0ae5a [0,1,0,0,0,0|3,0,0]=4 2010 B12R0.4 CCCOCCOC(C)CC(=O)O c15365c3e4caa24275312014b6af00b2 [0,1,0,0,0,0|2,0,0]=3 2011 B12R0.4 CCCOCCO[C@@H](C)CC(=O)O 660292155f4d0423df76d4459bc8c17e [0,1,0,0,0,0|2,0,0]=3 2012 B12R0.4 CCCOCCO[C@H](C)CC(=O)O 4ac2e15626401b4bf1667e9105feacf0 [0,1,0,0,0,0|2,0,0]=3 2013 B12R0.4 CCOCCCNC(C)CC(=O)O 38fe88cacfb920eac376902f6e68e10d [0,1,0,0,0,0|2,0,0]=3 2014 B12R0.4 CCOCCCN[C@@H](C)CC(=O)O 8ada11cce4a7aa2ac2467a26c44c25f1 [0,1,0,0,0,0|2,0,0]=3 2015 B12R0.4 CCOCCCN[C@H](C)CC(=O)O dc2cddc672d3e0f464dd39cdb3909edb [0,1,0,0,0,0|2,0,0]=3 2016 B12R0.4 CCOCCCOC(C)CC(=O)N a3e06ddb2a816b6bf185f48eb55c9019 [0,1,0,0,0,0|3,0,0]=4 2017 B12R0.4 CCOCCCOC(C)CC(=O)O eb6de2ccfb93e8a8b9d7dd066d37a388 [0,1,0,0,0,0|2,0,0]=3 2018 B12R0.4 CCOCCCO[C@@H](C)CC(=O)O a5f046bfd43d1ee443c2307479e54137 [0,1,0,0,0,0|2,0,0]=3 2019 B12R0.4 CCOCCCO[C@H](C)CC(=O)O 67a67efa4a428c7e4f4329a818ec9938 [0,1,0,0,0,0|2,0,0]=3 2020 B12R0.4 CCOCCNCC(=O)CC(=O)O 9766f333fcbe4addd98217e5cf7f9967 [0,1,0,0,0,0|2,0,1]=4 2021 B12R0.4 CCOCCNCC(O)CC(=O)O 77fa641959986a7250292124409867da [0,1,0,0,0,0|2,0,0]=3 2022 B12R0.4 CCOCCNC[C@@H](O)CC(=O)O e7d9d7fe2294f8a6dcb3275e78e71613 [0,1,0,0,0,0|2,0,0]=3 2023 B12R0.4 CCOCCNC[C@H](O)CC(=O)O adc117a51789008aed04c68180e8b023 [0,1,0,0,0,0|2,0,0]=3 2024 B12R0.4 CCOCCOCC(=O)CC(=O)O d763a00273bf6505afe765d90f805bd4 [0,1,0,0,0,0|2,0,1]=4 2025 B12R0.4 CCSCCCNC(C)CC(=O)O 798de3fc3ceb45a832b265cb33d775dd [0,1,0,0,0,0|2,0,0]=3 2026 B12R0.4 CCSCCCN[C@@H](C)CC(=O)O 6324cefe090d878374e203fdd1a8e64e [0,1,0,0,0,0|2,0,0]=3 2027 B12R0.4 CCSCCCN[C@H](C)CC(=O)O 41b230894d5b9e3ca3af54fb5fd4cdd0 [0,1,0,0,0,0|2,0,0]=3 2028 B12R0.4 CCSCCCOC(C)CC(=O)N 0d86a950ceab0db9ef5171624604e126 [0,1,0,0,0,0|3,0,0]=4 2029 B12R0.4 CCSCCCOC(C)CC(=O)O 1bd34b4ccef8c6f2959888db5b7dfe01 [0,1,0,0,0,0|2,0,0]=3 2030 B12R0.4 CCSCCNCC(=O)CC(=O)O 35c92ff4a8416f4de4ee09458aaf8328 [0,1,0,0,0,0|2,0,1]=4 2031 B12R0.4 CCSCCNCC(O)CC(=O)O a51c730177d0195fb8b2dc4ef24f55ce [0,1,0,0,0,0|2,0,0]=3 2032 B12R0.4 CCSCCNC[C@@H](O)CC(=O)O 1916fe54ca20bbe2b2a95046ab064ec3 [0,1,0,0,0,0|2,0,0]=3 2033 B12R0.4 CCSCCNC[C@H](O)CC(=O)O fee50bea734490fd2e4333557b9be3c5 [0,1,0,0,0,0|2,0,0]=3 2034 B12R0.4 CCSCCOCC(=O)CC(=O)O 6540f7f0d2c5a1bfb207995a4c9a953f [0,1,0,0,0,0|2,0,1]=4 2035 B12R0.4 CN(CCCCCC#N)CC(=O)O 6757997e2a22a75244780a17b6e14702 [0,1,0,0,0,0|2,0,1]=4 2036 B12R0.4 CN(CCCCCC=O)CC(=O)O af99a14db14fe9ab74e9fdeb25654556 [0,1,0,0,0,0|2,0,1]=4 2037 B12R0.4 CN(CCCCCCF)CC(=O)N ed178457afe7b89ef3ad2ec5b46fe328 [0,1,0,0,0,0|3,0,0]=4 2038 B12R0.4 CN(CCCCCCF)CC(=O)O cf4a662bbdd19cbb55b878322ca4f6f9 [0,1,0,0,0,0|2,0,0]=3 2039 B12R0.4 CN(CCCCCCO)CC(=O)N 9e3f905e24feabcd6e0f58ddf3d7dafa [0,1,0,0,0,0|3,0,0]=4 2040 B12R0.4 CN(CCCCCCO)CC(=O)O 84d6f16911eb417c51ebc18f4dd8930f [0,1,0,0,0,0|2,0,0]=3 2041 B12R0.4 CN(CCOCCCF)CC(=O)O 344409e0b57f59f508bfe8965bd4d8b7 [0,1,0,0,0,0|3,0,0]=4 2042 B12R0.4 CN(CCOCCCS)CC(=O)O 3c591c469d86a17f87925344f84ccf4d [0,1,0,0,0,0|3,0,0]=4 2043 B12R0.4 COCCCCCN(C)CC(=O)N 43f817a72bf3d1f06f1badcafe479d96 [0,1,0,0,0,0|3,0,0]=4 2044 B12R0.4 COCCCCCN(C)CC(=O)O b052d4ee4478b1f3b616d703ff66593a [0,1,0,0,0,0|2,0,0]=3 2045 B12R0.4 COCCCCNC(C)CC(=O)O 95c416535cdf61a0be4e6e0995fb134a [0,1,0,0,0,0|2,0,0]=3 2046 B12R0.4 COCCCCN[C@@H](C)CC(=O)O 98ccd246c8b8e03775c23c2b59e37379 [0,1,0,0,0,0|2,0,0]=3 2047 B12R0.4 COCCCCN[C@H](C)CC(=O)O 5121726ef4ebaf81e72d888e333eab61 [0,1,0,0,0,0|2,0,0]=3 2048 B12R0.4 COCCCCOC(C)CC(=O)N 9c01214aca4df721db00add036b41543 [0,1,0,0,0,0|3,0,0]=4 2049 B12R0.4 COCCCCOC(C)CC(=O)O ab2e00fccd247cdf852a65c914b377fb [0,1,0,0,0,0|2,0,0]=3 2050 B12R0.4 COCCCCO[C@@H](C)CC(=O)O 6d9136ca2eef4a75b3dc6e200028da0d [0,1,0,0,0,0|2,0,0]=3 2051 B12R0.4 COCCCCO[C@H](C)CC(=O)O 3d912bfc16bb21d7a2053828778deeae [0,1,0,0,0,0|2,0,0]=3 2052 B12R0.4 COCCCNCC(=O)CC(=O)O 8ac4dde10df1b7a06751f3a9344f496b [0,1,0,0,0,0|2,0,1]=4 2053 B12R0.4 COCCCNCC(O)CC(=O)O b11463caf2b6b4dd45b69009bfd009c3 [0,1,0,0,0,0|2,0,0]=3 2054 B12R0.4 COCCCNC[C@@H](O)CC(=O)O 7982893491738863dd611c2b062c48c2 [0,1,0,0,0,0|2,0,0]=3 2055 B12R0.4 COCCCNC[C@H](O)CC(=O)O ee73b7f513c1b8beab4bd1b60bc71947 [0,1,0,0,0,0|2,0,0]=3 2056 B12R0.4 COCCCOCC(=O)CC(=O)O 5960cd2b6be488a95b939788976ecebe [0,1,0,0,0,0|2,0,1]=4 2057 B12R0.4 COCCNCCC(C)CC(=O)O 1dc31c265a44c56d00a4d3b9988cec4f [0,1,0,0,0,0|2,0,0]=3 2058 B12R0.4 COCCOCCC(C)CC(=O)O 6e32ae1381d431ea95e9abfff19494d9 [0,1,0,0,0,0|2,0,0]=3 2059 B12R0.4 COCCOCCN(C)CC(=O)O f600a53909e90490ab65df2f7badaf56 [0,1,0,0,0,0|3,0,0]=4 2060 B12R0.4 COCCOCNC(C)CC(=O)O 6ac2042663c9cffe4d2a803d5c970350 [0,1,0,0,0,0|3,0,0]=4 2061 B12R0.4 COCCOCN[C@@H](C)CC(=O)O 8cae68751f42329c796e38b27ba61b0d [0,1,0,0,0,0|3,0,0]=4 2062 B12R0.4 COCCOCN[C@H](C)CC(=O)O 1da0367bb9c24c8720b00e5a888112dc [0,1,0,0,0,0|3,0,0]=4 2063 B12R0.4 COCCOCOC(C)CC(=O)O 3502f67fdf6fafd3fd3702ddab2dec2e [0,1,0,0,0,0|3,0,0]=4 2064 B12R0.4 COCCOCO[C@@H](C)CC(=O)O 29a63114a18f7057c0e43ae346d3ee13 [0,1,0,0,0,0|3,0,0]=4 2065 B12R0.4 COCCOCO[C@H](C)CC(=O)O d447dee391072d48a28440a52840f79d [0,1,0,0,0,0|3,0,0]=4 2066 B12R0.4 COCOCCNC(C)CC(=O)O 2a2ed3f8b7dc7b9ebd349e70ff456926 [0,1,0,0,0,0|3,0,0]=4 2067 B12R0.4 COCOCCN[C@@H](C)CC(=O)O 883d4a2c0a47809a0a58d889a4ca2ff0 [0,1,0,0,0,0|3,0,0]=4 2068 B12R0.4 COCOCCN[C@H](C)CC(=O)O 2130f66fb15c4761891f00d788c84973 [0,1,0,0,0,0|3,0,0]=4 2069 B12R0.4 COCOCCOC(C)CC(=O)O 768c9743168bddac5976db6a4f997110 [0,1,0,0,0,0|3,0,0]=4 2070 B12R0.4 COCOCCO[C@@H](C)CC(=O)O a74728dc609ebca9a189aec4a5f04568 [0,1,0,0,0,0|3,0,0]=4 2071 B12R0.4 COCOCCO[C@H](C)CC(=O)O 4436bcb9805cd8e76372e1316c8b714a [0,1,0,0,0,0|3,0,0]=4 2072 B12R0.4 CSCCCCNC(C)CC(=O)O 2e701c99f4be568ddabbf445f6a4d79c [0,1,0,0,0,0|2,0,0]=3 2073 B12R0.4 CSCCCNCC(=O)CC(=O)O a596b76152c89b98ba3763fa376dceaa [0,1,0,0,0,0|2,0,1]=4 2074 B12R0.4 CSCCCNCC(O)CC(=O)O 705022a7f62685db0c6af0651853ea6a [0,1,0,0,0,0|2,0,0]=3 2075 B12R0.4 CSCCCNC[C@@H](O)CC(=O)O 52aeb26ed43c0b646cb79a3302affcb8 [0,1,0,0,0,0|2,0,0]=3 2076 B12R0.4 CSCCCNC[C@H](O)CC(=O)O 12ed5daa4aa2fce1c3abcffdf46608a3 [0,1,0,0,0,0|2,0,0]=3 2077 B12R0.4 CSCCCOCC(=O)CC(=O)O 7ace77fea3e8d6d2190df2f0d75aa1f0 [0,1,0,0,0,0|2,0,1]=4 2078 B12R0.4 CSCCNCCC(C)CC(=O)O bbec57efae6fb2b82fd7e3cdf08f7a96 [0,1,0,0,0,0|2,0,0]=3 2079 B12R0.4 CSCCOCCC(C)CC(=O)O 1e1185468fb16f32137468a1650d125b [0,1,0,0,0,0|2,0,0]=3 2080 B12R0.4 CSCCOCCN(C)CC(=O)O 1a112ffadaad239a38228bfe59f13af8 [0,1,0,0,0,0|3,0,0]=4 2081 B12R0.4 C[C@@H](CC(=O)O)NCCCCC#N 89872a29458b63d06fc9554fbbd2991e [0,1,0,0,0,0|2,0,1]=4 2082 B12R0.4 C[C@@H](CC(=O)O)NCCCCC=O f73ae40972c8b8913ef0d1cd49dc6ad9 [0,1,0,0,0,0|2,0,1]=4 2083 B12R0.4 C[C@@H](CC(=O)O)NCCCCCF 3b6a6f8106b5c1545f78fb729ef2411a [0,1,0,0,0,0|2,0,0]=3 2084 B12R0.4 C[C@@H](CC(=O)O)NCCCCCO 3576e6eef03a8187c1bacabdcb65fcb3 [0,1,0,0,0,0|2,0,0]=3 2085 B12R0.4 C[C@@H](CC(=O)O)NCCCCON fc950764f0941d933ad95289599f0c3a [0,1,0,0,0,0|3,0,0]=4 2086 B12R0.4 C[C@@H](CC(=O)O)NCCOCCO 7a0feed5c004742fe368c85cf0b49a87 [0,1,0,0,0,0|3,0,0]=4 2087 B12R0.4 C[C@@H](CC(=O)O)OCCCCC#N 63193383bc0f2401f1c91b0211ad22fc [0,1,0,0,0,0|2,0,1]=4 2088 B12R0.4 C[C@@H](CC(=O)O)OCCCCC=O a9d3c86e1a7d5989d46bdd926765f8ea [0,1,0,0,0,0|2,0,1]=4 2089 B12R0.4 C[C@@H](CC(=O)O)OCCCCCF 5365e4554edb45488429ecf2c79def09 [0,1,0,0,0,0|2,0,0]=3 2090 B12R0.4 C[C@H](CC(=O)O)NCCCCC#N 06c918fc68b6aaa609f019918cc54ccc [0,1,0,0,0,0|2,0,1]=4 2091 B12R0.4 C[C@H](CC(=O)O)NCCCCC=O 2b1be3c7ff3d4d17f77204ec4532f4b7 [0,1,0,0,0,0|2,0,1]=4 2092 B12R0.4 C[C@H](CC(=O)O)NCCCCCF 9b67abf7c888b107258b45d16ec231ee [0,1,0,0,0,0|2,0,0]=3 2093 B12R0.4 C[C@H](CC(=O)O)NCCCCCO 0b8ad93eadb4d50d8b5c3648103192ef [0,1,0,0,0,0|2,0,0]=3 2094 B12R0.4 C[C@H](CC(=O)O)NCCCCON 75228a23c1c055e136f29b9f2b0bdc06 [0,1,0,0,0,0|3,0,0]=4 2095 B12R0.4 C[C@H](CC(=O)O)NCCOCCO 36609ecf2ec30be1fc366e6a26e63152 [0,1,0,0,0,0|3,0,0]=4 2096 B12R0.4 C[C@H](CC(=O)O)OCCCCC#N c028882140a6cafe22a41f2ac47f5d33 [0,1,0,0,0,0|2,0,1]=4 2097 B12R0.4 C[C@H](CC(=O)O)OCCCCC=O c64aed5ffb8968db343668978832c1ec [0,1,0,0,0,0|2,0,1]=4 2098 B12R0.4 C[C@H](CC(=O)O)OCCCCCF def534e35b975094a879a94b7ce48157 [0,1,0,0,0,0|2,0,0]=3 2099 B12R0.4 N#CCCCNCC(O)CC(=O)O 07ec365eb3cb157827f1d998dbe2c40a [0,1,0,0,0,0|2,0,1]=4 2100 B12R0.4 N#CCCCNC[C@@H](O)CC(=O)O 36d4dd16d0e6cf73f53988e5dbd5cd58 [0,1,0,0,0,0|2,0,1]=4 2101 B12R0.4 N#CCCCNC[C@H](O)CC(=O)O b380e82ba301bd3018d7854ae221ad76 [0,1,0,0,0,0|2,0,1]=4 2102 B12R0.4 O=C(O)CC(=O)CNCCCCCl 90b330c04c7ee2a2240e899bec5f197e [0,1,0,0,0,0|2,0,1]=4 2103 B12R0.4 O=C(O)CC(=O)CNCCCCO d7b59eda8a918fa798ad685c546ba83b [0,1,0,0,0,0|2,0,1]=4 2104 B12R0.4 O=C(O)CC(=O)CNCCCCS ab9671a8b4db2803f16c1c0574305c18 [0,1,0,0,0,0|2,0,1]=4 2105 B12R0.4 O=C(O)CC(=O)COCCCCF ba0bd2b572a988c14f006e7e734baa1e [0,1,0,0,0,0|2,0,1]=4 2106 B12R0.4 O=C(O)CC(=O)COCCCCS bde82fdb0e7659812207835629040b00 [0,1,0,0,0,0|2,0,1]=4 2107 B12R0.4 O=C(O)CC(O)CNCCCCF df96cb5c83d09ec0af60651e13379a82 [0,1,0,0,0,0|2,0,0]=3 2108 B12R0.4 O=C(O)CC(O)CNCCCCO db82c214a4235ec1cdd9e567a33bf52c [0,1,0,0,0,0|2,0,0]=3 2109 B12R0.4 O=C(O)C[C@@H](O)CNCCCCF 5d92d7683946a9d9e7baa0db6ef977e9 [0,1,0,0,0,0|2,0,0]=3 2110 B12R0.4 O=C(O)C[C@@H](O)CNCCCCO a65509f525b4e36da4188f41b80450d5 [0,1,0,0,0,0|2,0,0]=3 2111 B12R0.4 O=C(O)C[C@H](O)CNCCCCF 29b71a4e3a2cd3be641a3504d34f6c57 [0,1,0,0,0,0|2,0,0]=3 2112 B12R0.4 O=C(O)C[C@H](O)CNCCCCO 0e45effd267cc2ae37184c1d56fc8ca9 [0,1,0,0,0,0|2,0,0]=3 2113 B12R0.4 O=CCCCNCC(O)CC(=O)O 76169498263b9423ecd1a0bea4b36668 [0,1,0,0,0,0|2,0,1]=4 2114 B12R0.4 O=CCCCNC[C@@H](O)CC(=O)O 9695f7d137b290c554591eec9faf0988 [0,1,0,0,0,0|2,0,1]=4 2115 B12R0.4 O=CCCCNC[C@H](O)CC(=O)O 29a6722ee2b0d7f9892f236908c0e83e [0,1,0,0,0,0|2,0,1]=4 2116 B12R0.95 C#CCCN(C)CCCCC(=O)O aa6a4e71e1649f0b216c4ba3864cefcd [0,1,0,0,0,0|1,0,2]=4 2117 B12R0.95 C/C=C/CN(C)CCCCC(=O)O 3920f71394c933eda0fe67ab474493df [0,1,0,0,0,0|1,0,2]=4 2118 B12R0.95 C/C=C\CN(C)CCCCC(=O)O 994e9a4a0738ce1209788136a6182d81 [0,1,0,0,0,0|1,0,2]=4 2119 B12R0.95 C=C(Br)COCCC(C)CCCC a27adc23b9f8c0517e723b5a47260fb1 [0,1,0,0,0,0|3,0,0]=4 2120 B12R0.95 C=C(C)CCCNC(C)CCCC 93d121bdce1895fc618f7c2a630b6f91 [0,1,0,0,0,0|3,0,0]=4 2121 B12R0.95 C=C(C)CCCN[C@H](C)CCCC e94b83693f88ce617a8553adfa5e5a8f [0,1,0,0,0,0|3,0,0]=4 2122 B12R0.95 C=C(C)CCCOC(C)CCCC dd43ed2da7925eeac99b471372cfa5e0 [0,1,0,0,0,0|3,0,0]=4 2123 B12R0.95 C=C(C)CCCO[C@@H](C)CCCC 018e378a6ee57063f049bf7b495df060 [0,1,0,0,0,0|3,0,0]=4 2124 B12R0.95 C=C(C)CCCO[C@H](C)CCCC 15b49b685e3d2201f2e3f2519e817f20 [0,1,0,0,0,0|3,0,0]=4 2125 B12R0.95 C=C(C)CCNCC(O)CCCC 79bd27a7d1368fd829ed56926ca70013 [0,1,0,0,0,0|3,0,0]=4 2126 B12R0.95 C=C(C)CCOCC(C)CCCC c611ab9b7373b5a046255e391e6acb5b [0,1,0,0,0,0|3,0,0]=4 2127 B12R0.95 C=C(C)COCCC(C)CCCC bdcc00922eea1e7080444d3fc241fbab [0,1,0,0,0,0|3,0,0]=4 2128 B12R0.95 C=C(Cl)COCCC(C)CCCC 0414fce9e0f8f85cb6725d463c552b49 [0,1,0,0,0,0|3,0,0]=4 2129 B12R0.95 C=CCCC(C)NCCCC(=O)O a3f9fbc6310d990684ecda4a282a1538 [0,1,0,0,0,0|1,0,2]=4 2130 B12R0.95 C=CCCC(C)OCCCC(=O)O 18211c52fb7321a04d74dac5e9cdb8d7 [0,1,0,0,0,0|1,0,2]=4 2131 B12R0.95 C=CCCC(O)CNCCC(=O)O 866fe5acb09484fca86634b7c7a9263a [0,1,0,0,0,0|1,0,2]=4 2132 B12R0.95 C=CCCN(C)CCCCC(=O)O 387a56d59384997ec82e976a0b1f5389 [0,1,0,0,0,0|1,0,2]=4 2133 B12R0.95 C=CCC[C@@H](C)OCCCC(=O)O daccc75434ca79990317e4ed797ae342 [0,1,0,0,0,0|1,0,2]=4 2134 B12R0.95 C=CCC[C@@H](O)CNCCC(=O)O f523bf068ab9f58a249dc4c67d27b783 [0,1,0,0,0,0|1,0,2]=4 2135 B12R0.95 CC(=O)CCCCN(C)CCCO 8c398cc841ce6fbb4d29e769f2991da4 [0,1,0,0,0,0|3,0,0]=4 2136 B12R0.95 CC(=O)CCCNC(C)CCCO de276023fed548d5034062300d0706a0 [0,1,0,0,0,0|3,0,0]=4 2137 B12R0.95 CC(=O)CCCN[C@H](C)CCCO 9d58da092a8618ed9c4f068e91bb47b9 [0,1,0,0,0,0|3,0,0]=4 2138 B12R0.95 CC(=O)CCNC[C@H](C)CCCO ef9ebc0fa582693f452ab67ef5f526b5 [0,1,0,0,0,0|3,0,0]=4 2139 B12R0.95 CC(CCCO)NCCCC(=O)N e18edb6009c09d43faf8f5eb9f9d24fc [0,1,0,0,0,0|3,0,0]=4 2140 B12R0.95 CC(CCCO)NCCCC(=O)O 01587ade6b270351301c083f7f6dc396 [0,1,0,0,0,0|2,0,0]=3 2141 B12R0.95 CCCCC(=O)NCCCC(=O)N bc71b8f2b997779d0eaad4d7c25b1dc5 [0,1,0,0,0,0|2,0,1]=4 2142 B12R0.95 CCCCC(=O)OCNCC(=O)O a8e0e31224a55eee5bc395724225dba1 [0,1,0,0,0,0|2,0,1]=4 2143 B12R0.95 CCCCC(=O)OCOCC(=O)O fccfef168a320763bdc836cca3e7f3bf [0,1,0,0,0,0|2,0,1]=4 2144 B12R0.95 CCCCC(C)CCOCC(=O)N 1a41553f2beb90423c6374e7fdce3529 [0,1,0,0,0,0|2,0,0]=3 2145 B12R0.95 CCCCC(C)CCOCC(=O)O 9ccda33f86cf11ccf4af02c94bbe2cf3 [0,1,0,0,0,0|1,0,0]=2 2146 B12R0.95 CCCCC(C)CCOC[N+](=O)[O-] 5bbe2d264b74a9a1bfd2ab7305f1b200 [0,1,0,0,0,0|2,0,1]=4 2147 B12R0.95 CCCCC(C)COCCC(=O)C 75ae99acfb87323513244f7a07dfb8cd [0,1,0,0,0,0|2,0,0]=3 2148 B12R0.95 CCCCC(C)COCCC(=O)N 80e24345ad8aa1552d854508132f7fd8 [0,1,0,0,0,0|2,0,0]=3 2149 B12R0.95 CCCCC(C)COCCC(=O)O fca2c5198f248b4dcaf925188fefa01b [0,1,0,0,0,0|1,0,0]=2 2150 B12R0.95 CCCCC(C)COCCS(=O)C 559c8f9a8205d56ab4cc6234c4254b53 [0,1,0,0,0,0|3,0,0]=4 2151 B12R0.95 CCCCC(C)COCOC(=O)C 669df400de58e23b80d9da7c32d58aa1 [0,1,0,0,0,0|3,0,0]=4 2152 B12R0.95 CCCCC(C)COCSC(=O)N 36f88bd7c1b5469a27898080d91b4a71 [0,1,0,0,0,0|3,0,0]=4 2153 B12R0.95 CCCCC(C)NC/C=C/C(=O)O ea772490f2f2ec261dd9707648d1de47 [0,1,0,0,0,0|1,0,2]=4 2154 B12R0.95 CCCCC(C)NCC#CC(=O)O 552e487d021c64dfbef4837fc735f0bc [0,1,0,0,0,0|1,0,2]=4 2155 B12R0.95 CCCCC(C)NCC=CC(=O)O 7e523d5d229dccb11fcc78a8172bf9f4 [0,1,0,0,0,0|1,0,2]=4 2156 B12R0.95 CCCCC(C)NCCCC(=O)C acc59ca261b249a3b1371f42c6c89e61 [0,1,0,0,0,0|2,0,0]=3 2157 B12R0.95 CCCCC(C)NCCCC(=O)N 3c3c2f59473288e7a8e0b89f0b869716 [0,1,0,0,0,0|2,0,0]=3 2158 B12R0.95 CCCCC(C)NCCCC(=O)O ada8796f86ae13890572646b7e33d2f1 [0,1,0,0,0,0|1,0,0]=2 2159 B12R0.95 CCCCC(C)NCCCC(C)O 218f8320dbdac59a524a65beccf9896f [0,1,0,0,0,0|2,0,1]=4 2160 B12R0.95 CCCCC(C)NCCCS(=O)C c42ccf769a7146e9012bc8711f546974 [0,1,0,0,0,0|3,0,0]=4 2161 B12R0.95 CCCCC(C)NCCC[N+](=O)[O-] 2905cc8b605c26e3cfcc0d4700fdde7e [0,1,0,0,0,0|2,0,1]=4 2162 B12R0.95 CCCCC(C)NCCNC(=O)C b123778db3fd1aa3b08e3cd4372402bc [0,1,0,0,0,0|3,0,0]=4 2163 B12R0.95 CCCCC(C)NCCNC(=O)N a6fcc2349d586e949b3bad79fc698118 [0,1,0,0,0,0|3,0,0]=4 2164 B12R0.95 CCCCC(C)NCCOC(=O)C a4f3a536d3d1509045cb5ae6006009f1 [0,1,0,0,0,0|3,0,0]=4 2165 B12R0.95 CCCCC(C)NCCSC(=O)C 7c78f855a123cc2f804198f9f97970b9 [0,1,0,0,0,0|3,0,0]=4 2166 B12R0.95 CCCCC(C)OC/C=C/C(=O)O 4dac7ee9925bd0161aa783c272a3556f [0,1,0,0,0,0|1,0,2]=4 2167 B12R0.95 CCCCC(C)OCC=CC(=O)O 12b78df88c3e85ba335b9a8cd7180995 [0,1,0,0,0,0|1,0,2]=4 2168 B12R0.95 CCCCC(C)OCCCC(=O)C 86a7fe92e475f05c32b98f14673e28ba [0,1,0,0,0,0|2,0,0]=3 2169 B12R0.95 CCCCC(C)OCCCC(=O)N 3d0cffc5ff9342f6a9b480c4d22a96d3 [0,1,0,0,0,0|2,0,0]=3 2170 B12R0.95 CCCCC(C)OCCC[N+](=O)[O-] 4d03d5301f1a813cc92982014d7de9ed [0,1,0,0,0,0|2,0,1]=4 2171 B12R0.95 CCCCC(C)OCCNC(=O)C d5c884bae799b82af7e3244487bba7be [0,1,0,0,0,0|3,0,0]=4 2172 B12R0.95 CCCCC(C)OCCNC(=O)N 06e8cad2a51c2437aa6bd724e03795bf [0,1,0,0,0,0|3,0,0]=4 2173 B12R0.95 CCCCC(C)OCCOC(=O)C a0df0af372ce277b20d09df398e3a9ae [0,1,0,0,0,0|3,0,0]=4 2174 B12R0.95 CCCCC(C)OCCSC(=O)C 65c240e566490801870ec2358c5abfd6 [0,1,0,0,0,0|3,0,0]=4 2175 B12R0.95 CCCCC(O)CNCCC(=O)C 4f81b98c5cc928da74ef3e8c679ed22d [0,1,0,0,0,0|2,0,0]=3 2176 B12R0.95 CCCCC(O)CNCCC(=O)N ab6bef5f9dc5b8e03f1451f4b8430021 [0,1,0,0,0,0|2,0,0]=3 2177 B12R0.95 CCCCC(O)CNCCC(=O)O edaa209c6cdfffef2f4ab0bacfadf900 [0,1,0,0,0,0|1,0,0]=2 2178 B12R0.95 CCCCC(O)CNCCC(C)O d70dfcb7f4eb9acd043be980cca0f956 [0,1,0,0,0,0|2,0,1]=4 2179 B12R0.95 CCCCC(O)CNCCS(=O)C 828d22acb277f1201c4ab28ef82495df [0,1,0,0,0,0|3,0,0]=4 2180 B12R0.95 CCCCC(O)CNCOC(=O)C d78bfd3355723f9189f3d0b782c3c55d [0,1,0,0,0,0|3,0,0]=4 2181 B12R0.95 CCCCC(O)CNCSC(=O)N c40d9660793b6fe04a4dca5f9072d335 [0,1,0,0,0,0|3,0,0]=4 2182 B12R0.95 CCCCN(C)CCCCC(=O)C 184a106a3a28105257e267b5fc6908da [0,1,0,0,0,0|2,0,0]=3 2183 B12R0.95 CCCCN(C)CCCCC(=O)N ffcf0e130e1a617d5338db48a008de02 [0,1,0,0,0,0|2,0,0]=3 2184 B12R0.95 CCCCN(C)CCCCC(=O)O ae50391429c6ceafa5a2df2c6d29aea7 [0,1,0,0,0,0|1,0,0]=2 2185 B12R0.95 CCCCN(C)CCCCC(C)O f2ff8725cd55843f2931a4980b5f7d49 [0,1,0,0,0,0|2,0,1]=4 2186 B12R0.95 CCCCN(C)CCCC[C@@H](C)O 8285aac6c97c1cd4a6833ac275f30711 [0,1,0,0,0,0|2,0,1]=4 2187 B12R0.95 CCCCN(C)CCCNC(=O)C 6b1c760942be103b770e70f44183418a [0,1,0,0,0,0|3,0,0]=4 2188 B12R0.95 CCCCN(C)CCCOC(=O)C e94746b3bedf82f9f4e482ca913ce693 [0,1,0,0,0,0|3,0,0]=4 2189 B12R0.95 CCCCN(C)CCCSC(=O)C 3ca1a7a006548a79660627781c6b5b7f [0,1,0,0,0,0|3,0,0]=4 2190 B12R0.95 CCCCN(C)CCNCC(=O)N a6400b44b60debfa827cc32f264623cb [0,1,0,0,0,0|3,0,0]=4 2191 B12R0.95 CCCCN(C)CCNCC(=O)O 5fd85ac3f8b949e3f786e01025e43840 [0,1,0,0,0,0|2,0,0]=3 2192 B12R0.95 CCCCN(C)CCOCC(=O)N 3ee5f84d7a87d7aae2fa39f85f949b6f [0,1,0,0,0,0|3,0,0]=4 2193 B12R0.95 CCCC[C@@H](C)NC/C=C/C(=O)O 4e93d820a32e761a782f9679a5180843 [0,1,0,0,0,0|1,0,2]=4 2194 B12R0.95 CCCC[C@@H](C)NCC=CC(=O)O c23b735baa89c043ebcd5b48260a4914 [0,1,0,0,0,0|1,0,2]=4 2195 B12R0.95 CCCC[C@@H](C)NCCCC(=O)C 4fca5ae2263f2832aba783074b1029d0 [0,1,0,0,0,0|2,0,0]=3 2196 B12R0.95 CCCC[C@@H](C)NCCCC(=O)N c502508b1ff6be0868848b8093cceeee [0,1,0,0,0,0|2,0,0]=3 2197 B12R0.95 CCCC[C@@H](C)NCCCC(C)O 2807f33233ed2ac47839b59834e91646 [0,1,0,0,0,0|2,0,1]=4 2198 B12R0.95 CCCC[C@@H](C)NCCC[N+](=O)[O-] 451a6192922fee4d1d5537e511770474 [0,1,0,0,0,0|2,0,1]=4 2199 B12R0.95 CCCC[C@@H](C)NCCNC(=O)C 7a99283dc94ba773d5a6746894b12610 [0,1,0,0,0,0|3,0,0]=4 2200 B12R0.95 CCCC[C@@H](C)NCCNC(=O)N 1ec1e31f53ff584c553855e1bca8e94e [0,1,0,0,0,0|3,0,0]=4 2201 B12R0.95 CCCC[C@@H](C)NCCOC(=O)C 9de570abcaebd0e64388c9b97ff1e646 [0,1,0,0,0,0|3,0,0]=4 2202 B12R0.95 CCCC[C@@H](C)NCCSC(=O)C 1dad9cdd4fbc11ce4dd9ed0e600a9bab [0,1,0,0,0,0|3,0,0]=4 2203 B12R0.95 CCCC[C@@H](C)OCCCC(=O)C f043b99ff811b24d31d5de7fe7a833d1 [0,1,0,0,0,0|2,0,0]=3 2204 B12R0.95 CCCC[C@@H](C)OCCCC(=O)N f4562cefb1e968ea0e19eac85ea2f13b [0,1,0,0,0,0|2,0,0]=3 2205 B12R0.95 CCCC[C@@H](C)OCCC[N+](=O)[O-] 580758f1934c282b672449f38f9f2c9e [0,1,0,0,0,0|2,0,1]=4 2206 B12R0.95 CCCC[C@@H](C)OCCNC(=O)C bbf07f5f5a522f07330ef4b3851252ee [0,1,0,0,0,0|3,0,0]=4 2207 B12R0.95 CCCC[C@@H](C)OCCNC(=O)N a3e5b355cf25cb25d5e13947843b138a [0,1,0,0,0,0|3,0,0]=4 2208 B12R0.95 CCCC[C@@H](C)OCCOC(=O)C 3d24f755f7c7b9fc5e589106c8e943c3 [0,1,0,0,0,0|3,0,0]=4 2209 B12R0.95 CCCC[C@@H](C)OCCSC(=O)C b8f40172618d309098aab159f17d9f48 [0,1,0,0,0,0|3,0,0]=4 2210 B12R0.95 CCCC[C@H](C)OCCCC(=O)C d9c3d18686eb34d706b2301b9b1d779d [0,1,0,0,0,0|2,0,0]=3 2211 B12R0.95 CCCC[C@H](C)OCCCC(=O)N 73b53dcadb9a4798054dbaf1119bb448 [0,1,0,0,0,0|2,0,0]=3 2212 B12R0.95 CCCC[C@H](C)OCCC[N+](=O)[O-] 3a3616c8b6c09df02a412eb81746328c [0,1,0,0,0,0|2,0,1]=4 2213 B12R0.95 CCCC[C@H](C)OCCNC(=O)C 64b15dd8549fbdaa7a9ec47ebe5a2879 [0,1,0,0,0,0|3,0,0]=4 2214 B12R0.95 CCCC[C@H](C)OCCNC(=O)N ea18aa522e0428ec4370829f958af503 [0,1,0,0,0,0|3,0,0]=4 2215 B12R0.95 CCCC[C@H](C)OCCOC(=O)C d890fce3fe51ec18d06b95de1a7a221b [0,1,0,0,0,0|3,0,0]=4 2216 B12R0.95 CCCC[C@H](C)OCCSC(=O)C 0f0bcad0359ceaa4e4b524f4f20190af [0,1,0,0,0,0|3,0,0]=4 2217 B12R0.95 CCCNC(=O)CCCCC(=O)C 63bbf587efef0fe76ac27cee2a045295 [0,1,0,0,0,0|2,0,1]=4 2218 B12R0.95 CCCNC(=O)CCCCC(=O)N bf0c0390ec669fb4b396882fff685d91 [0,1,0,0,0,0|2,0,1]=4 2219 B12R0.95 CCCNC(=O)CNCCC(=O)O 7954cd92cdb88e64694fe81a319370d8 [0,1,0,0,0,0|2,0,1]=4 2220 B12R0.95 CCCNC(=O)COCCC(=O)O 0d9232f12b3b45f3f03fd0e9a391df9e [0,1,0,0,0,0|2,0,1]=4 2221 B12R0.95 CCCNC(=O)NCCCC(=O)O 4644dea8533b299ae6be975c8bc5927c [0,1,0,0,0,0|2,0,1]=4 2222 B12R0.95 CCCNC(=S)NCCCC(=O)O eee5e50e6372d9bd4f2d8f64545a3278 [0,1,0,0,0,0|2,0,1]=4 2223 B12R0.95 CCCOC(=O)CCOCC(=O)O f42f3c48d0a645369f2ef2c33a7290b7 [0,1,0,0,0,0|2,0,1]=4 2224 B12R0.95 CCCOC(=O)CNCCC(=O)O 7cf0c4f8fc497705e7d820739185d7a0 [0,1,0,0,0,0|2,0,1]=4 2225 B12R0.95 CCCOC(=O)COCCC(=O)O 165198d296352edfd4fe04737c3e8a2c [0,1,0,0,0,0|2,0,1]=4 2226 B12R0.95 CCNCC(=O)NCCCC(=O)O 6f45207f0def865a608cf18595b4f593 [0,1,0,0,0,0|2,0,1]=4 2227 B12R0.95 CCOCC(C)COCCC(=O)C 8fe70cd8ee2e494711cc574ed901afa5 [0,1,0,0,0,0|3,0,0]=4 2228 B12R0.95 CCOCC(C)COCCC(=O)N 1cd2bcaf8821d6e204a2a5c66d58233a [0,1,0,0,0,0|3,0,0]=4 2229 B12R0.95 CCOCC(C)OCCCC(=O)C a3d6c6d158af8584c2740b675b47f2b7 [0,1,0,0,0,0|3,0,0]=4 2230 B12R0.95 CCOCC(C)OCCCC(=O)N 1daa7a7b2b29476f0306f20e74c6bc5a [0,1,0,0,0,0|3,0,0]=4 2231 B12R0.95 CCOCC(O)CNCCC(=O)C 17ba644b45c465aa28a9c13798137059 [0,1,0,0,0,0|3,0,0]=4 2232 B12R0.95 CCOCC(O)CNCCC(=O)N 6c8a32af7135402c4c8a749fe579d888 [0,1,0,0,0,0|3,0,0]=4 2233 B12R0.95 CCOCC(O)CNCCC(=O)O f7e1ba01f03b9232c8c9088255cdb0e5 [0,1,0,0,0,0|2,0,0]=3 2234 B12R0.95 CCOCN(C)CCCCC(=O)O d61b08c1a172b3abea2adcbf4e00ba2f [0,1,0,0,0,0|2,0,0]=3 2235 B12R0.95 CN(CCC#N)CCCCC(=O)O 2e7110ff8441fba79920f7e04836cb04 [0,1,0,0,0,0|2,0,1]=4 2236 B12R0.95 CN(CCC=O)CCCCC(=O)O 22ee7f1b2c582e06c87c998b8d1e9ddd [0,1,0,0,0,0|2,0,1]=4 2237 B12R0.95 CN(CCCF)CCCCC(=O)O fe1a8c6db09f88b1c201715eb1b9f851 [0,1,0,0,0,0|2,0,0]=3 2238 B12R0.95 CN(CCCO)CCCCC(=O)N 7b4d501c93f658a4bd85392cee931bad [0,1,0,0,0,0|3,0,0]=4 2239 B12R0.95 CN(CCCO)CCCCC(=O)O 2f4d4710daaecb2a90f38acacbe90b69 [0,1,0,0,0,0|2,0,0]=3 2240 B12R0.95 CN(CCCS)CCCCC(=O)O a978a8c7c68f369b1c2ed3b72cba2ec3 [0,1,0,0,0,0|2,0,0]=3 2241 B12R0.95 COCCC(C)OCCCC(=O)C 57f29dc2f871327b3efa0ad0652b1077 [0,1,0,0,0,0|3,0,0]=4 2242 B12R0.95 COCCC(C)OCCCC(=O)N bc27635b20f5c96d7843f04ccc294a4e [0,1,0,0,0,0|3,0,0]=4 2243 B12R0.95 COCCN(C)CCCCC(=O)C ce38563bb3c9bde72c066178ec42d8d1 [0,1,0,0,0,0|3,0,0]=4 2244 B12R0.95 COCCN(C)CCCCC(=O)N c1832d1f842c3b624c1fd4c0be544658 [0,1,0,0,0,0|3,0,0]=4 2245 B12R0.95 COCCN(C)CCCCC(=O)O a8dd521579d4abef98f738db7029c6fa [0,1,0,0,0,0|2,0,0]=3 2246 B12R0.95 COCCN(C)CCOCC(=O)O a7eb090fd6c58eb514bdb82fe352b05d [0,1,0,0,0,0|3,0,0]=4 2247 B12R0.95 CSCCC(=O)CNCCC(=O)O e1ca6f55b3e818d1e0a71962614c86bf [0,1,0,0,0,0|2,0,1]=4 2248 B12R0.95 CSCCC(=O)COCCC(=O)O 226ab6c429e42bc6e5f0cfb79c52060c [0,1,0,0,0,0|2,0,1]=4 2249 B12R0.95 CSCCC(C)OCCCC(=O)C 7b18f45007119588634ed76c5092dd85 [0,1,0,0,0,0|3,0,0]=4 2250 B12R0.95 CSCCC(C)OCCCC(=O)N d731462036107c38f1c738011cc4463c [0,1,0,0,0,0|3,0,0]=4 2251 B12R0.95 CSCCN(C)CCCCC(=O)C 7cef31406e61f6aab18a8e07ea53392e [0,1,0,0,0,0|3,0,0]=4 2252 B12R0.95 CSCCN(C)CCCCC(=O)N 314d1a2822b560ddfcffca931e5743d5 [0,1,0,0,0,0|3,0,0]=4 2253 B12R0.95 CSCCN(C)CCCCC(=O)O 0ca556dfe6667db594a051c3a874d684 [0,1,0,0,0,0|2,0,0]=3 2254 B12R0.95 C[C@H](CCCO)CNCCC(=O)N 63bceb5fbcaf1b70f1e73711e3eba25f [0,1,0,0,0,0|3,0,0]=4 2255 B12R0.95 C[C@H](CCCO)CNCCC(=O)O 6f065f22221bf27c4626f0da7829cee4 [0,1,0,0,0,0|2,0,0]=3 2256 B12R0.95 C[C@H](CCCO)NCCCC(=O)N 5895d6940f5eef54324f5e8bf382e354 [0,1,0,0,0,0|3,0,0]=4 2257 B12R0.95 C[C@H](CCCO)NCCCC(=O)O 1e33641395cb8612759c5579e8e670bb [0,1,0,0,0,0|2,0,0]=3 2258 B12R0.119 CCCCCCCNCC(C)(C)O 08f56e7c3b584bd641f3b7798b369bc4 [0,1,0,0,0,0|2,0,1]=4 2259 B12R0.119 CCCCCCCNCS(=O)(=O)C 13d070f7b24ea7fee35ae1ac2152d259 [0,1,0,0,0,0|2,0,1]=4 2260 B12R0.119 CCCCCCCNCS(=O)(=O)O 532b2d6d8ba174a418d4bc7ae6dd3c76 [0,1,0,0,0,0|2,0,0]=3 2261 B12R0.119 CCCCCCCOCC(C)(C)O 54a68bd3a0c34f37f7c6a5e837777b24 [0,1,0,0,0,0|2,0,1]=4 2262 B12R0.119 CCCCCCCOCS(=O)(=O)C 543b3e052485f848b4751078ca586ab9 [0,1,0,0,0,0|2,0,1]=4 2263 B12R0.119 CCCCCCNCCC(C)(C)O 2dcf02954e787498472d3ae9ee703305 [0,1,0,0,0,0|2,0,1]=4 2264 B12R0.119 CCCCCCNCCS(=O)(=O)C 8db9ca636d4e69b43d46e71d6a015ff1 [0,1,0,0,0,0|2,0,1]=4 2265 B12R0.119 CCCCCCNCCS(=O)(=O)N 664d1add8e32b2284062513b655cb4ce [0,1,0,0,0,0|2,0,1]=4 2266 B12R0.119 CCCCCCNCCS(=O)(=O)O 91592e84080dc35008074696b121dca5 [0,1,0,0,0,0|2,0,0]=3 2267 B12R0.119 CCCCCCOCCC(C)(C)O 01923e29672a1afcc7d52fd43b545ac9 [0,1,0,0,0,0|2,0,1]=4 2268 B12R0.119 CCCCCCOCCS(=N)(=O)C 3c9e725ae4934aa6157b0d761f555110 [0,1,0,0,0,0|3,0,0]=4 2269 B12R0.119 CCCCCCOCCS(=O)(=O)C 63547bfa6005a30a849fbce14f6389d3 [0,1,0,0,0,0|2,0,1]=4 2270 B12R0.119 CCCCCCOCCS(=O)(=O)N ecee53e19725afabb63126a9d3520265 [0,1,0,0,0,0|2,0,1]=4 2271 B12R0.119 CCCCCCOCCS(=O)(=O)O 3eaf4550c99c3b6777f1a2ae8170dd6d [0,1,0,0,0,0|2,0,0]=3 2272 B12R0.119 CCCCCNCCCC(C)(C)O 91b9353353818ea264803b019fd43a33 [0,1,0,0,0,0|2,0,1]=4 2273 B12R0.119 CCCCCNCCCS(=O)(=O)C 624eed163745a0d2abc606a19984eb8e [0,1,0,0,0,0|2,0,1]=4 2274 B12R0.119 CCCCCNCCCS(=O)(=O)N 8ccf75f7e8d7634335e51174a345b568 [0,1,0,0,0,0|2,0,1]=4 2275 B12R0.119 CCCCCNCCCS(=O)(=O)O 7b25bf36be191c3862ae3f0ae317ddb8 [0,1,0,0,0,0|2,0,0]=3 2276 B12R0.119 CCCCCNCCOS(=O)(=O)O fb5fc93cea7c2966803ed6201ca51f69 [0,1,0,0,0,0|3,0,0]=4 2277 B12R0.119 CCCCCOCCCC(C)(C)O 712ac1c5f37206d53be274f5f39a43e3 [0,1,0,0,0,0|2,0,1]=4 2278 B12R0.119 CCCCCOCCCS(=O)(=O)C bb0783312dbf3ee7224bec953ac5068a [0,1,0,0,0,0|2,0,1]=4 2279 B12R0.119 CCCCCOCCCS(=O)(=O)N 2f0fa30a23395dbb21f93bc4ac4ad9cc [0,1,0,0,0,0|2,0,1]=4 2280 B12R0.119 CCCCCOCCCS(=O)(=O)O 039b4669dbaefa4ecb5280c56b22235a [0,1,0,0,0,0|2,0,0]=3 2281 B12R0.119 CCCCNCCCCS(=O)(=O)C 063d94f2569228c55fc23202a94ca8fa [0,1,0,0,0,0|2,0,1]=4 2282 B12R0.119 CCCCNCCCCS(=O)(=O)O 0be21deaed575676d5d785dfdad0c52e [0,1,0,0,0,0|2,0,0]=3 2283 B12R0.119 CCCCOCCCCS(=O)(=O)C cfc63ed1f83838b0aa6985e892ecbb09 [0,1,0,0,0,0|2,0,1]=4 2284 B12R0.119 CCCCOCCCCS(=O)(=O)O 64970bf4a58f833a5cca2dd590f7dc2f [0,1,0,0,0,0|2,0,0]=3 2285 B12R0.119 CCCCOCCCNS(=O)(=O)O 9aa3573ff20f5f9607ca930b0ea7fa4b [0,1,0,0,0,0|3,0,0]=4 2286 B12R0.119 CCCCOCCNCS(=O)(=O)O c221854da69f77876fab9aeb6b9fe4f6 [0,1,0,0,0,0|3,0,0]=4 2287 B12R0.119 CCCCOCCOCS(=O)(=O)O ebbfc14905b8a13b3d075108bfca5990 [0,1,0,0,0,0|3,0,0]=4 2288 B12R0.119 CCCCOCNCCS(=O)(=O)O 802e9edc131dd8f24dc959c5dd6d1d52 [0,1,0,0,0,0|3,0,0]=4 2289 B12R0.119 CCCCOCOCCS(=O)(=O)O f68fd44d4f448a963a97886b9f0e532d [0,1,0,0,0,0|3,0,0]=4 2290 B12R0.119 CCCCSCCOCS(=O)(=O)O f0b6847e71a2d2f87273ae38d332d65c [0,1,0,0,0,0|3,0,0]=4 2291 B12R0.119 CCCNCCCCCC(C)(C)O 33c09a666d4a3fd72026a51431d8f734 [0,1,0,0,0,0|2,0,1]=4 2292 B12R0.119 CCCNCCCCCS(=O)(=O)O 86f75cf34591c162d760cec2187b34fc [0,1,0,0,0,0|2,0,0]=3 2293 B12R0.119 CCCOCCCCCC(C)(C)O 09787e47360e6824b84a015130bc2288 [0,1,0,0,0,0|2,0,1]=4 2294 B12R0.119 CCCOCCCNCS(=O)(=O)O 0b1001a7757118980ca8a0c99a482171 [0,1,0,0,0,0|3,0,0]=4 2295 B12R0.119 CCCOCCNCCS(=O)(=O)O 259b962e62928abf4b8be432c88faec0 [0,1,0,0,0,0|3,0,0]=4 2296 B12R0.119 CCCOCCOCCS(=O)(=O)O a589b91a1a49d2612cdc9f3e6e684b59 [0,1,0,0,0,0|3,0,0]=4 2297 B12R0.119 CCCSCCOCCS(=O)(=O)O c9cabb0986dd0d34b837fa44699b5aaf [0,1,0,0,0,0|3,0,0]=4 2298 B12R0.119 CCNCCCCCCS(=O)(=O)O a945d572a1494f795f04f4dd742c5dd6 [0,1,0,0,0,0|2,0,0]=3 2299 B12R0.119 CCOCCCNCCS(=O)(=O)O 8d4cf1dcd04fac051b682e0ac984ade6 [0,1,0,0,0,0|3,0,0]=4 2300 B12R0.119 CCOCCCOCCS(=O)(=O)O 7f605999c9e255f881c48e74d7626f64 [0,1,0,0,0,0|3,0,0]=4 2301 B12R0.119 CCOCCNCCCS(=O)(=O)O 9744714d0d26fda4c15af7073765d0a2 [0,1,0,0,0,0|3,0,0]=4 2302 B12R0.119 CCOCCOCCCS(=O)(=O)O cada0a85e3f0297ac32aea2a08317823 [0,1,0,0,0,0|3,0,0]=4 2303 B12R0.119 CCOCOCCCCS(=O)(=O)O 19a403bdb1b397e6c41d4ef849c56fba [0,1,0,0,0,0|3,0,0]=4 2304 B12R0.119 CCSCCCCNCS(=O)(=O)O d1e06ddebc5bbbcad9c8c1be3c76fa8f [0,1,0,0,0,0|3,0,0]=4 2305 B12R0.119 CCSCCCNCCS(=O)(=O)O 23e317e97d5e44e9e700c667c16f07c6 [0,1,0,0,0,0|3,0,0]=4 2306 B12R0.119 CCSCCCOCCS(=O)(=O)O 850175fd279a56b51caa75bf57363d22 [0,1,0,0,0,0|3,0,0]=4 2307 B12R0.119 CCSCCNCCCS(=O)(=O)O 69772f7a20462c485f2c0f2ed543f1b4 [0,1,0,0,0,0|3,0,0]=4 2308 B12R0.119 CCSCCOCCCS(=O)(=O)O 34c13a46d0b9387dadf05b3ada0c34dc [0,1,0,0,0,0|3,0,0]=4 2309 B12R0.119 COCCCCCNCS(=O)(=O)O 11d8ffed1f8ccb5b9f9812eb08cce415 [0,1,0,0,0,0|3,0,0]=4 2310 B12R0.119 COCCCCNCCS(=O)(=O)O 58b299d4af1c392b9168b2fb44fd7d5b [0,1,0,0,0,0|3,0,0]=4 2311 B12R0.119 COCCCCOCCS(=O)(=O)O f0490aad25c3588282a73816fd1b4827 [0,1,0,0,0,0|3,0,0]=4 2312 B12R0.119 COCCCNCCCS(=O)(=O)O 881fd789fe8bb9e676c03376fc517312 [0,1,0,0,0,0|3,0,0]=4 2313 B12R0.119 COCCCOCCCS(=O)(=O)O 34fa987977b6cd54f8b0f81d6bbf589d [0,1,0,0,0,0|3,0,0]=4 2314 B12R0.119 COCCNCCCCS(=O)(=O)O 8a625d1a504f6e4e4c6d2a90b73da8a1 [0,1,0,0,0,0|3,0,0]=4 2315 B12R0.119 COCCOCCCCS(=O)(=O)O ece4300c6b921cc3318b6249f6f53b2b [0,1,0,0,0,0|3,0,0]=4 2316 B12R0.119 COCNCCCCCS(=O)(=O)O 07b662f5a37af86f77706b7633acbda9 [0,1,0,0,0,0|3,0,0]=4 2317 B12R0.119 CSCCCCNCCS(=O)(=O)O 89a69bdad87d66f5e226f89caa6e4066 [0,1,0,0,0,0|3,0,0]=4 2318 B12R0.119 CSCCCCOCCS(=O)(=O)O d490517196b68d5718eb62fd7709fbf2 [0,1,0,0,0,0|3,0,0]=4 2319 B12R0.119 CSCCCNCCCS(=O)(=O)O 37b351cb32fa77e405149f36fbe49817 [0,1,0,0,0,0|3,0,0]=4 2320 B12R0.119 CSCCCOCCCS(=O)(=O)O 2a4065dd328c6ed14d55567dec5562ca [0,1,0,0,0,0|3,0,0]=4 2321 B12R0.119 CSCCNCCCCS(=O)(=O)O 625e3867c0ef19506228686481f38557 [0,1,0,0,0,0|3,0,0]=4 2322 B12R0.119 CSCCOCCCCS(=O)(=O)O de750a21435a01c2daeae1333a9258e1 [0,1,0,0,0,0|3,0,0]=4 2323 B12R0.119 CSCNCCCCCS(=O)(=O)O a0af84542b7ab3a76747278fdd961684 [0,1,0,0,0,0|3,0,0]=4 2324 B12R0.119 O=S(=O)(O)CCCCCCNCF c33872d947f341e46fd8b0f684314e08 [0,1,0,0,0,0|3,0,0]=4 2325 B12R0.119 O=S(=O)(O)CCCCCCNCO db1db708f658a3c41b2cd7154dd4e25e [0,1,0,0,0,0|3,0,0]=4 2326 B12R0.119 O=S(=O)(O)CCCCCNCCF 3044507934a208fde303db622b7f176b [0,1,0,0,0,0|3,0,0]=4 2327 B12R0.119 O=S(=O)(O)CCCCCNCCO 8979d2b28cc24ef295c89ed457389fbb [0,1,0,0,0,0|3,0,0]=4 2328 B12R0.119 O=S(=O)(O)CCCCCNCCS d575e330cb87665da529df2e5e07599f [0,1,0,0,0,0|3,0,0]=4 2329 B12R0.119 O=S(=O)(O)CCCCNCCCCl 3e4e10d6c29f894e25d59023ff2437b8 [0,1,0,0,0,0|3,0,0]=4 2330 B12R0.119 O=S(=O)(O)CCCCNCCCO a49872a88c49b6bfcf8ace65d8267406 [0,1,0,0,0,0|3,0,0]=4 2331 B12R0.119 O=S(=O)(O)CCCCOCCCF 951630d7ecdce8edae07db2ed99a0bed [0,1,0,0,0,0|3,0,0]=4 2332 B12R0.119 O=S(=O)(O)CCCCOCCCS 4ea3db7e9bab3ea53e685f0e45e31f36 [0,1,0,0,0,0|3,0,0]=4 2333 B12R0.119 O=S(=O)(O)CCCNCCCCCl 74134fab669407b44a85a31ada967045 [0,1,0,0,0,0|3,0,0]=4 2334 B12R0.119 O=S(=O)(O)CCCNCCCCF 779ca56a35a65bd2cee4f56c90497d65 [0,1,0,0,0,0|3,0,0]=4 2335 B12R0.119 O=S(=O)(O)CCCNCCCCO 79f339ecfc9c79e514b8835c18561376 [0,1,0,0,0,0|3,0,0]=4 2336 B12R0.119 O=S(=O)(O)CCCNCCCCS cf90a1e51a02bcd732b1df7bc3f32ef2 [0,1,0,0,0,0|3,0,0]=4 2337 B12R0.119 O=S(=O)(O)CCCOCCCCF 1a13f758812d2e5ee15bcdd63007b66d [0,1,0,0,0,0|3,0,0]=4 2338 B12R0.119 O=S(=O)(O)CCCOCCCCS 5adfe1f8e149778831e181c0cc94bec8 [0,1,0,0,0,0|3,0,0]=4 2339 B12R0.119 O=S(=O)(O)CCNCCCCCCl 372174eea4359eb64873d34d20439f13 [0,1,0,0,0,0|3,0,0]=4 2340 B12R0.119 O=S(=O)(O)CCNCCCCCF fbc35dfe9290bec35b2f3ee3229c5961 [0,1,0,0,0,0|3,0,0]=4 2341 B12R0.119 O=S(=O)(O)CCNCCCCCO d036f1f3969376983ae9cac5aef9a337 [0,1,0,0,0,0|3,0,0]=4 2342 B12R0.119 O=S(=O)(O)CCOCCCCCF d110c6a0baadd2de0c8ce9b67651b72e [0,1,0,0,0,0|3,0,0]=4 2343 B12R0.119 O=S(=O)(O)CNCCCCCCCl 86760433c9c61750940a092ecddf14c1 [0,1,0,0,0,0|3,0,0]=4 2344 B12R0.119 O=S(=O)(O)CNCCCCCCF dc100fbe2321c9b0bc9d53ce29345e6e [0,1,0,0,0,0|3,0,0]=4 2345 B12R0.119 O=S(=O)(O)CNCCCCCCO 1999c950db6a59f1527bb23d60562270 [0,1,0,0,0,0|3,0,0]=4 2346 B12R0.119 O=S(=O)(O)COCCCCCCF 3a81d16b06613368fcf61bea177cfac2 [0,1,0,0,0,0|3,0,0]=4 2347 B12R0.119 O=S(=O)(O)COCCCCCCS 394059b9ed9bcd329f02d813d4fcf748 [0,1,0,0,0,0|3,0,0]=4 2348 B12R0.184 C#CC(C)NCCCCCC(=O)O eef2c3d62a5f147d5d9a61f1d3f45fcf [0,1,0,0,0,0|1,0,2]=4 2349 B12R0.184 C#C[C@@H](C)NCCCCCC(=O)O 77f4497fdbd3246d59113d3674562e9b [0,1,0,0,0,0|1,0,2]=4 2350 B12R0.184 C#C[C@H](C)NCCCCCC(=O)O bd783d47e027f04879b4cb74a72c7a5b [0,1,0,0,0,0|1,0,2]=4 2351 B12R0.184 C=C(Br)COCCCCC(C)CC d1549d213bf596f546398aa66c5a250a [0,1,0,0,0,0|3,0,0]=4 2352 B12R0.184 C=C(Br)COCCCC[C@@H](C)CC b4a431759dd4e72de09a6f185129439b [0,1,0,0,0,0|3,0,0]=4 2353 B12R0.184 C=C(C)CCCNCCC(C)CC 501cc7e7730ad8e65b0ca88bb6f4b5e8 [0,1,0,0,0,0|3,0,0]=4 2354 B12R0.184 C=C(C)CCCOCCC(C)CC 3b10c58924f874b4c802aca5ec0203e7 [0,1,0,0,0,0|3,0,0]=4 2355 B12R0.184 C=C(C)CCCOCCC(S)CC 79a51e5fe8f797bca382a8230f97b59e [0,1,0,0,0,0|3,0,0]=4 2356 B12R0.184 C=C(C)CCCOCC[C@@H](C)CC 71a520ce7948cf89007822155e6b0e33 [0,1,0,0,0,0|3,0,0]=4 2357 B12R0.184 C=C(C)CCOCCCC(C)CC 55cf8cae43ebb962a3a0694e769c66e6 [0,1,0,0,0,0|3,0,0]=4 2358 B12R0.184 C=C(C)CCOCCC[C@@H](C)CC ea199e7bf0b728e568e0c0a857aaae45 [0,1,0,0,0,0|3,0,0]=4 2359 B12R0.184 C=C(C)COCCCCC(C)CC 488fc312212f6bae06f49869f9575a76 [0,1,0,0,0,0|3,0,0]=4 2360 B12R0.184 C=C(C)COCCCC[C@@H](C)CC 55b30adb0e38ddd3ab32c4881586f168 [0,1,0,0,0,0|3,0,0]=4 2361 B12R0.184 C=C(CC)CNCCCCC(=O)N 08eafc49c41ba59631cce8adb996b759 [0,1,0,0,0,0|2,0,1]=4 2362 B12R0.184 C=C(CC)CNCCCCC(=O)O 393e7d6f1749768c0c3c8ee47e9ab001 [0,1,0,0,0,0|1,0,1]=3 2363 B12R0.184 C=C(CC)CNCCOCC(=O)O 58467e68415d348f5d47acb2b1ba259e [0,1,0,0,0,0|2,0,1]=4 2364 B12R0.184 C=C(CC)CNCCSCC(=O)O d1fde0d950c266263fe5ed4d16ee5daa [0,1,0,0,0,0|2,0,1]=4 2365 B12R0.184 C=C(CC)COCCCCC(=O)C 30ff1ef7408bebf324da7d7f1eba9595 [0,1,0,0,0,0|2,0,1]=4 2366 B12R0.184 C=C(CC)COCCCCC(=O)N 9d2828c084a482902879b7c026da056c [0,1,0,0,0,0|2,0,1]=4 2367 B12R0.184 C=C(CC)COCCCCC(=O)O 22c280aba1ad3471ae571019d2bba9a9 [0,1,0,0,0,0|1,0,1]=3 2368 B12R0.184 C=C(CC)COCCOCC(=O)O 2f0bce47cf019518b151328da8913c82 [0,1,0,0,0,0|2,0,1]=4 2369 B12R0.184 C=C(CNCCCCC(=O)O)OC 9f57cc2784e28b5ef4ba3bcb8711e834 [0,1,0,0,0,0|2,0,1]=4 2370 B12R0.184 C=C(CO)CNCCCCC(=O)O c56e444abc17040a36f21751ccfe0114 [0,1,0,0,0,0|2,0,1]=4 2371 B12R0.184 C=C(COCCCCC(=O)O)OC 89a13aefe5d541bd1a23727b2367ceed [0,1,0,0,0,0|2,0,1]=4 2372 B12R0.184 C=C(Cl)COCCCCC(C)CC 67ed7c59d8421a7316ed0d3bacf99171 [0,1,0,0,0,0|3,0,0]=4 2373 B12R0.184 C=C(Cl)COCCCC[C@@H](C)CC 4d0337a4b1233597a550b999169d8ff1 [0,1,0,0,0,0|3,0,0]=4 2374 B12R0.184 C=C(F)COCCCCC(C)CC 29feff589dd0e9c6fa9bf866f166db77 [0,1,0,0,0,0|3,0,0]=4 2375 B12R0.184 C=C(F)COCCCC[C@@H](C)CC 04abf713e589b2733b8cac8d348e8d07 [0,1,0,0,0,0|3,0,0]=4 2376 B12R0.184 C=CC(C)COCCCCC(=O)O 65e8da95b4b0d50ccee96661b18f8040 [0,1,0,0,0,0|1,0,2]=4 2377 B12R0.184 C=CC(C)NCCCCCC(=O)O 4ed2cb68517c2b90b63c763a3f92b730 [0,1,0,0,0,0|1,0,2]=4 2378 B12R0.184 C=CC(C)OCCCCCC(=O)O c1e95a8efdba552b1b30b84a02f17f42 [0,1,0,0,0,0|1,0,2]=4 2379 B12R0.184 C=CC(O)CNCCCCC(=O)O ceed13887644808a7874c35d773a6479 [0,1,0,0,0,0|1,0,2]=4 2380 B12R0.184 C=C[C@H](C)OCCCCCC(=O)O efa4e6d4e413b257e98ec31392c20017 [0,1,0,0,0,0|1,0,2]=4 2381 B12R0.184 CC(=O)CCCCCNC(C)CO f82d7b021e4d3586677556b00270be9a [0,1,0,0,0,0|3,0,0]=4 2382 B12R0.184 CC(=O)CCCCCN[C@@H](C)CO bb19b572f5a566d63bece47246af21c3 [0,1,0,0,0,0|3,0,0]=4 2383 B12R0.184 CC(=O)CCCCCN[C@H](C)CO 2ce7ab736dc4db74c8a470e6f725ca30 [0,1,0,0,0,0|3,0,0]=4 2384 B12R0.184 CC(=O)CCCCCOC(C)CF 96df380651923c773e341a72d724c777 [0,1,0,0,0,0|3,0,0]=4 2385 B12R0.184 CC(=O)CCCCCOC(C)CS 8bc5e737b05f89d3ddaeed6a1482470f [0,1,0,0,0,0|3,0,0]=4 2386 B12R0.184 CC(=O)CCCCCO[C@H](C)CS 586e28437cc669e9687a11af70f5aa9e [0,1,0,0,0,0|3,0,0]=4 2387 B12R0.184 CC(=O)CCCCNCC(Br)CBr 8f4484b3c91e6e1cf65b908a3b974992 [0,1,0,0,0,0|3,0,0]=4 2388 B12R0.184 CC(=O)CCCCNCC(C)CO eda40c1f701ee5daadfe6a423826afab [0,1,0,0,0,0|3,0,0]=4 2389 B12R0.184 CC(=O)CCCCNCC(F)CO b65df234148467e1e62b17e137005aba [0,1,0,0,0,0|3,0,0]=4 2390 B12R0.184 CC(=O)CCCCNCC(O)CO bd043a61fb9969e5463600a4dbb5b99b [0,1,0,0,0,0|3,0,0]=4 2391 B12R0.184 CC(=O)CCCCNC[C@@H](F)CO 12969d7236416567cf865924dd5bf87d [0,1,0,0,0,0|3,0,0]=4 2392 B12R0.184 CC(=O)CCCCNC[C@@H](O)CO d7400f608ec558aa73f93a27c5991eb9 [0,1,0,0,0,0|3,0,0]=4 2393 B12R0.184 CC(=O)CCCCNC[C@H](C)CO 41988c200a64f559c7b1b47bd3875d80 [0,1,0,0,0,0|3,0,0]=4 2394 B12R0.184 CC(=O)CCCCNC[C@H](F)CO 9dd8619b2e06ed89c5a8406e7c965561 [0,1,0,0,0,0|3,0,0]=4 2395 B12R0.184 CC(=O)CCCCNC[C@H](O)CO 5440a62a775ab676433b7ab1f2ad6a03 [0,1,0,0,0,0|3,0,0]=4 2396 B12R0.184 CC(=O)CCCCOCC(Br)CBr c9588deaebba35d1f65e7664af170dda [0,1,0,0,0,0|3,0,0]=4 2397 B12R0.184 CC(=O)CCCCOCC(Cl)CCl 5f06b0aab7f404322d3cbb8027408072 [0,1,0,0,0,0|3,0,0]=4 2398 B12R0.184 CC(=O)CCCCOCC(O)CO 4d30d2b1106cac076299aca9a1669382 [0,1,0,0,0,0|3,0,0]=4 2399 B12R0.184 CC(=O)CCCCOCC(S)CS f4b24e3c2c24161ebf6993804ba0d2cd [0,1,0,0,0,0|3,0,0]=4 2400 B12R0.184 CC(=O)CCCCOC[C@@H](O)CO 32ed8ed254fb65441eb2ab3822140016 [0,1,0,0,0,0|3,0,0]=4 2401 B12R0.184 CC(=O)CCCCOC[C@H](O)CO e19f19270ee4bd9759b463b80df776ce [0,1,0,0,0,0|3,0,0]=4 2402 B12R0.184 CC(=O)CCCNCCC(C)CO edc26289f0d542d13d8f25244040b839 [0,1,0,0,0,0|3,0,0]=4 2403 B12R0.184 CC(=O)CCCNCCC(O)CO f48d363e26a50664699f017a1b1447be [0,1,0,0,0,0|3,0,0]=4 2404 B12R0.184 CC(=O)CCCNCC[C@@H](C)CO 0420895087aeb6529fe5dcc287b9d75a [0,1,0,0,0,0|3,0,0]=4 2405 B12R0.184 CC(=O)CCNCCCC(C)CO ac62dee37dd68fcc2cc79fb7acc2d747 [0,1,0,0,0,0|3,0,0]=4 2406 B12R0.184 CC(C#N)CNCCCCC(=O)O e26dd95e3ec0503d989d332bec1d00f6 [0,1,0,0,0,0|2,0,1]=4 2407 B12R0.184 CC(C#N)COCCCCC(=O)O 312f2f0135e5095cd534d058aa2d1045 [0,1,0,0,0,0|2,0,1]=4 2408 B12R0.184 CC(C#N)NCCCCCC(=O)O f508dbf5a33947acb3ece6fa19f85865 [0,1,0,0,0,0|2,0,1]=4 2409 B12R0.184 CC(C=O)NCCCCCC(=O)O a09ddfb0631a776feec8bfaf8a2bfe9d [0,1,0,0,0,0|2,0,1]=4 2410 B12R0.184 CC(C=O)OCCCCCC(=O)O bea413165a4aee15090b6d18842992e9 [0,1,0,0,0,0|2,0,1]=4 2411 B12R0.184 CC(CF)OCCCCCC(=O)N 56c0275bb8e3589c3a84bb3a07f3a2e2 [0,1,0,0,0,0|3,0,0]=4 2412 B12R0.184 CC(CF)OCCCOCC(=O)O 16705793c6a985cd3f5c52ff21f60e0f [0,1,0,0,0,0|3,0,0]=4 2413 B12R0.184 CC(CF)OCCOCCC(=O)O 94030207695e28f185f5f70ee3f7d63a [0,1,0,0,0,0|3,0,0]=4 2414 B12R0.184 CC(CO)CCCNCCC(=O)N e973bf49854bd969ab50335f46acbc74 [0,1,0,0,0,0|3,0,0]=4 2415 B12R0.184 CC(CO)CCCNCCC(=O)O 8552ea4b6cba8d9a39bbc949cdc28243 [0,1,0,0,0,0|2,0,0]=3 2416 B12R0.184 CC(CO)CCNCCCC(=O)N c16639defc63453eb85c2a07cb775b0d [0,1,0,0,0,0|3,0,0]=4 2417 B12R0.184 CC(CO)CCNCCCC(=O)O 523d4893d9c615408cf16b69944b89e0 [0,1,0,0,0,0|2,0,0]=3 2418 B12R0.184 CC(CO)CNCCCCC(=O)N e8510cc83c32d8df2e48eb0f2d267acd [0,1,0,0,0,0|3,0,0]=4 2419 B12R0.184 CC(CO)CNCCCCC(=O)O cf3daebde9d550a0864c49eba5811617 [0,1,0,0,0,0|2,0,0]=3 2420 B12R0.184 CC(CO)CNCCOCC(=O)O 724f2cd7f44e0c3ad0a619c79282d8ea [0,1,0,0,0,0|3,0,0]=4 2421 B12R0.184 CC(CO)CNCCSCC(=O)O 2d85161fb5e45db63fdb4c63631e9096 [0,1,0,0,0,0|3,0,0]=4 2422 B12R0.184 CC(CO)NCCCCCC(=O)N 73e2d45bda4babf9286db9b05746822b [0,1,0,0,0,0|3,0,0]=4 2423 B12R0.184 CC(CO)NCCCCCC(=O)O 290479a460607f11b46a5ed1bed9f3ad [0,1,0,0,0,0|2,0,0]=3 2424 B12R0.184 CC(CO)NCCCOCC(=O)O b13f9633086610ddd5c760cfe311ae72 [0,1,0,0,0,0|3,0,0]=4 2425 B12R0.184 CC(CO)NCCOCCC(=O)O 8f88967caaaf0eaa3b5da4b5969d65a7 [0,1,0,0,0,0|3,0,0]=4 2426 B12R0.184 CC(CS)OCCCCCC(=O)N 1add6eec9e88b9945df1a6f4441ca6f8 [0,1,0,0,0,0|3,0,0]=4 2427 B12R0.184 CC(CS)OCCOCCC(=O)O 5689f1bff932eb2517652fd4fd3e5547 [0,1,0,0,0,0|3,0,0]=4 2428 B12R0.184 CCC(=O)CCCCNCC(=O)C aee1c004b270a3e4d0a4c836cd8df4cd [0,1,0,0,0,0|2,0,1]=4 2429 B12R0.184 CCC(=O)CCCCNCC(=O)N d3e9de12faf3855c381f602327c7c251 [0,1,0,0,0,0|2,0,1]=4 2430 B12R0.184 CCC(=O)CCCCNCC(=O)O f6f83a3eefa8e4ccf9d9e50f0f88ef46 [0,1,0,0,0,0|1,0,1]=3 2431 B12R0.184 CCC(=O)CCCCOCC(=O)C 6c446cd22d030e86a92c34e676fb08c4 [0,1,0,0,0,0|2,0,1]=4 2432 B12R0.184 CCC(=O)CCCCOCC(=O)N 76e2b1b5fe92005a6e252d52be35423c [0,1,0,0,0,0|2,0,1]=4 2433 B12R0.184 CCC(=O)CCCCOCC(=O)O 8ca73f87773660a90cb8d8767f60a6d8 [0,1,0,0,0,0|1,0,1]=3 2434 B12R0.184 CCC(=O)CCCCOCS(=O)O 8f571308e47647870009f5a1cc706419 [0,1,0,0,0,0|2,0,1]=4 2435 B12R0.184 CCC(=O)CNCCCCC(=O)N 3aabd3594d9a6115ff3927729cade66e [0,1,0,0,0,0|2,0,1]=4 2436 B12R0.184 CCC(=O)CNCCCCC(=O)O de921c1c6a86007c4a8839af00847ef4 [0,1,0,0,0,0|1,0,1]=3 2437 B12R0.184 CCC(=O)CNCCOCC(=O)O 6cf58ce5cacbc4b5699f319f9cefa766 [0,1,0,0,0,0|2,0,1]=4 2438 B12R0.184 CCC(=O)CNCCSCC(=O)O 281b2f28139a3d6a7034a118e9b59d12 [0,1,0,0,0,0|2,0,1]=4 2439 B12R0.184 CCC(=O)COCCCCC(=O)C a407d3a6973d01a86d23d7f7363c7dab [0,1,0,0,0,0|2,0,1]=4 2440 B12R0.184 CCC(=O)COCCCCC(=O)N 16554fe8bea43053da99cf8f2b255f34 [0,1,0,0,0,0|2,0,1]=4 2441 B12R0.184 CCC(=O)COCCCCC(=O)O 644abe7bb8b9b1770896e60e5f60ef38 [0,1,0,0,0,0|1,0,1]=3 2442 B12R0.184 CCC(=O)COCCOCC(=O)O 7b8d7405c816cc3f80cc2a056815f377 [0,1,0,0,0,0|2,0,1]=4 2443 B12R0.184 CCC(=O)NCCCCCC(=O)N d43179483ea174d4b192b5e9927a6906 [0,1,0,0,0,0|2,0,1]=4 2444 B12R0.184 CCC(=O)NCCNCCC(=O)O 04c8e494798ad0456a287f57969d19d9 [0,1,0,0,0,0|2,0,1]=4 2445 B12R0.184 CCC(=O)NCCOCCC(=O)O 94395290409961413b4bb25739fbeb29 [0,1,0,0,0,0|2,0,1]=4 2446 B12R0.184 CCC(=O)OCCOCCC(=O)O e02c577114b0fef04b9048e35d8d02ec [0,1,0,0,0,0|2,0,1]=4 2447 B12R0.184 CCC(C)CCCCOCC(=O)N 14177b1706f5f9dcc89d3c78fba82be1 [0,1,0,0,0,0|2,0,0]=3 2448 B12R0.184 CCC(C)CCCCOCC(=O)O 8486b0703e17c352a6fc39325cd49aec [0,1,0,0,0,0|1,0,0]=2 2449 B12R0.184 CCC(C)CCCCOC[N+](=O)[O-] f5624d8ef2c52db08922ff8b8dbb7ff0 [0,1,0,0,0,0|2,0,1]=4 2450 B12R0.184 CCC(C)CCCOCCC(=O)C a582b5926949e4b40de456dca4a15055 [0,1,0,0,0,0|2,0,0]=3 2451 B12R0.184 CCC(C)CCCOCCC(=O)N 87bd7824c6358bec91719b3b6350227b [0,1,0,0,0,0|2,0,0]=3 2452 B12R0.184 CCC(C)CCCOCCC(=O)O 4ead7a3c5cb38f9c45f5ff51fa39fe8f [0,1,0,0,0,0|1,0,0]=2 2453 B12R0.184 CCC(C)CCCOCCS(=O)C a873fa62d4299a879f8aaa2cbc07565b [0,1,0,0,0,0|3,0,0]=4 2454 B12R0.184 CCC(C)CCCOCOC(=O)C 20bc8387358cc686b968f2c170a36fab [0,1,0,0,0,0|3,0,0]=4 2455 B12R0.184 CCC(C)CCCOCSC(=O)N b66bdb8be03edf9610214d38c443ed72 [0,1,0,0,0,0|3,0,0]=4 2456 B12R0.184 CCC(C)CCNC/C=C/C(=O)O c904f20a6f417c3cb662ff326ee6b4cc [0,1,0,0,0,0|1,0,2]=4 2457 B12R0.184 CCC(C)CCNCC#CC(=O)O 5a0a16b27b66a6dce0a53688d2fe5c4b [0,1,0,0,0,0|1,0,2]=4 2458 B12R0.184 CCC(C)CCNCC=CC(=O)O c063075eb485f6c9bdbd0cd2b4472604 [0,1,0,0,0,0|1,0,2]=4 2459 B12R0.184 CCC(C)CCNCCCC(=O)C 629ad7c4928409cd6bd4c6c1d6a2c4d4 [0,1,0,0,0,0|2,0,0]=3 2460 B12R0.184 CCC(C)CCNCCCC(=O)N 39e2581f1041e3196dc8fc5ebf1f6708 [0,1,0,0,0,0|2,0,0]=3 2461 B12R0.184 CCC(C)CCNCCCC(=O)O 894c390668388908d351c2ea30e0be7b [0,1,0,0,0,0|1,0,0]=2 2462 B12R0.184 CCC(C)CCNCCCC(C)O 3b664d55202348afb992070db02c4b31 [0,1,0,0,0,0|2,0,1]=4 2463 B12R0.184 CCC(C)CCNCCCS(=O)C a589136de5d61e825865392783c0cce9 [0,1,0,0,0,0|3,0,0]=4 2464 B12R0.184 CCC(C)CCNCCC[N+](=O)[O-] 207d16d686e8e74e2c8fd5390f651f49 [0,1,0,0,0,0|2,0,1]=4 2465 B12R0.184 CCC(C)CCNCCNC(=O)C c5b8daad4a5515e28b7a4ee08aa92940 [0,1,0,0,0,0|3,0,0]=4 2466 B12R0.184 CCC(C)CCNCCNC(=O)N 935b355aa10cc389215b2dd324de538c [0,1,0,0,0,0|3,0,0]=4 2467 B12R0.184 CCC(C)CCNCCOC(=O)C 9ee72394b328063e76b99ba76c2d7cf2 [0,1,0,0,0,0|3,0,0]=4 2468 B12R0.184 CCC(C)CCNCCSC(=O)C a6d963270a20b871b095de80c4713bd5 [0,1,0,0,0,0|3,0,0]=4 2469 B12R0.184 CCC(C)CCOC/C=C/C(=O)O 06522c76bab3c262c9cdf746f2ceea50 [0,1,0,0,0,0|1,0,2]=4 2470 B12R0.184 CCC(C)CCOCC#CC(=O)O d5d4fe5104af8f2fe7856edc12f35afc [0,1,0,0,0,0|1,0,2]=4 2471 B12R0.184 CCC(C)CCOCC=CC(=O)O 504c8c9dae4fb92758d7746733b41fb5 [0,1,0,0,0,0|1,0,2]=4 2472 B12R0.184 CCC(C)CCOCCCC(=O)C 018216496fd26e99c490d31e4a9abe19 [0,1,0,0,0,0|2,0,0]=3 2473 B12R0.184 CCC(C)CCOCCCC(=O)N eeaefed978691a5b842f6a159f1615ad [0,1,0,0,0,0|2,0,0]=3 2474 B12R0.184 CCC(C)CCOCCC[N+](=O)[O-] 6e398899f134baaa270a51ddf1f38051 [0,1,0,0,0,0|2,0,1]=4 2475 B12R0.184 CCC(C)CCOCCNC(=O)C ddb6c14b83880693b94aeeed8184cad7 [0,1,0,0,0,0|3,0,0]=4 2476 B12R0.184 CCC(C)CCOCCNC(=O)N 94394e1fd9e3e502052390804d9aafa5 [0,1,0,0,0,0|3,0,0]=4 2477 B12R0.184 CCC(C)CCOCCOC(=O)C 38025861f88f2f88fb5d7ee10bfaa5cc [0,1,0,0,0,0|3,0,0]=4 2478 B12R0.184 CCC(C)CCOCCSC(=O)C 897fbdef0202868caa4646c00ea723c5 [0,1,0,0,0,0|3,0,0]=4 2479 B12R0.184 CCC(C)CNCCCCC(=O)C 11677e3c895b01788883515d414aa637 [0,1,0,0,0,0|2,0,0]=3 2480 B12R0.184 CCC(C)CNCCCCC(=O)N 0759119e532951d5fd7f5f15f2300c5a [0,1,0,0,0,0|2,0,0]=3 2481 B12R0.184 CCC(C)CNCCCCC(=O)O 32ed5e7c3b2807e91d4b1a8c7f0ef2e3 [0,1,0,0,0,0|1,0,0]=2 2482 B12R0.184 CCC(C)CNCCCCC(C)O 226ef21c51886093a0b178d08bcee67a [0,1,0,0,0,0|2,0,1]=4 2483 B12R0.184 CCC(C)CNCCCC[C@@H](C)O f5a4918dd22bea169c5e43c2d715be4a [0,1,0,0,0,0|2,0,1]=4 2484 B12R0.184 CCC(C)CNCCCNC(=O)C 3ef932acd23ff6e26232efd89cc6d5ad [0,1,0,0,0,0|3,0,0]=4 2485 B12R0.184 CCC(C)CNCCCOC(=O)C e7c16c5e0c1c2fb6ee68d7a27459dc05 [0,1,0,0,0,0|3,0,0]=4 2486 B12R0.184 CCC(C)CNCCCSC(=O)C 699fbcb477d3479a801974fc6a8abdd5 [0,1,0,0,0,0|3,0,0]=4 2487 B12R0.184 CCC(C)CNCCOCC(=O)N 13f02abb0e3d06e61577c5c0be9890ae [0,1,0,0,0,0|3,0,0]=4 2488 B12R0.184 CCC(C)CNCCOCC(=O)O 4649867c276919719859e7bd9054d37c [0,1,0,0,0,0|2,0,0]=3 2489 B12R0.184 CCC(C)CNCCSCC(=O)O 08c04dfc8731a08a1dffb94268e78fe3 [0,1,0,0,0,0|2,0,0]=3 2490 B12R0.184 CCC(C)COCCC#CC(=O)O aeff3ad8f404909acdb58a8dfa21eb1b [0,1,0,0,0,0|1,0,2]=4 2491 B12R0.184 CCC(C)COCCCCC(=O)C 5b568416df706d4ef941eb8804e461b9 [0,1,0,0,0,0|2,0,0]=3 2492 B12R0.184 CCC(C)COCCCCC(=O)N e760e3249416e25892c2e85142e18819 [0,1,0,0,0,0|2,0,0]=3 2493 B12R0.184 CCC(C)COCCCCC(=O)O 5c7d7a4b76f1270176bce6e3d65dc9d3 [0,1,0,0,0,0|1,0,0]=2 2494 B12R0.184 CCC(C)COCCCC[N+](=O)[O-] b5ad8e39ad7d57e19ab7d09367f8de13 [0,1,0,0,0,0|2,0,1]=4 2495 B12R0.184 CCC(C)COCCCNC(=O)C b9ea35b2cc87d0d535faaecd2d7b5180 [0,1,0,0,0,0|3,0,0]=4 2496 B12R0.184 CCC(C)COCCCOC(=O)C b7a9b10da8f9583881ba6461a8d1f056 [0,1,0,0,0,0|3,0,0]=4 2497 B12R0.184 CCC(C)COCCCSC(=O)C 193e595c21516cdf297df83a8519b12b [0,1,0,0,0,0|3,0,0]=4 2498 B12R0.184 CCC(C)COCCOCC(=O)N 0290543d8fdb265908f6d43775b0ba94 [0,1,0,0,0,0|3,0,0]=4 2499 B12R0.184 CCC(C)COCCOCC(=O)O 3c4e8292ea1593ef5458e29d77b09fe2 [0,1,0,0,0,0|2,0,0]=3 2500 B12R0.184 CCC(C)COCCSCC(=O)N 62d60bf177d1374d03718cf591caafc6 [0,1,0,0,0,0|3,0,0]=4 2501 B12R0.184 CCC(C)NCCCCCC(=O)C 98ba346b03e3d4e22488fe16dce7d41f [0,1,0,0,0,0|2,0,0]=3 2502 B12R0.184 CCC(C)NCCCCCC(=O)N 5746cc6aaef36b1bcb64f4556cf0454e [0,1,0,0,0,0|2,0,0]=3 2503 B12R0.184 CCC(C)NCCCCCC(=O)O 3d646953d5e4341bdfbed7705e0be829 [0,1,0,0,0,0|1,0,0]=2 2504 B12R0.184 CCC(C)NCCCCNC(=O)C 8c4e1295d32bf73c804989e4217225d0 [0,1,0,0,0,0|3,0,0]=4 2505 B12R0.184 CCC(C)NCCCCOC(=O)C d05632072ccc8cdad7efd41fd9edd650 [0,1,0,0,0,0|3,0,0]=4 2506 B12R0.184 CCC(C)NCCCCSC(=O)C bb4e38cb989205e7817dd7838fd86ef6 [0,1,0,0,0,0|3,0,0]=4 2507 B12R0.184 CCC(C)NCCCOCC(=O)O 9a7ffb52010460b21d55a06806999770 [0,1,0,0,0,0|2,0,0]=3 2508 B12R0.184 CCC(C)NCCOCCC(=O)O 5c650f550a38c73181955b397223758d [0,1,0,0,0,0|2,0,0]=3 2509 B12R0.184 CCC(C)OCCCCCC(=O)C 130798ce17cd8d8055edd1ba29ca1032 [0,1,0,0,0,0|2,0,0]=3 2510 B12R0.184 CCC(C)OCCCCCC(=O)N c9bf758e05916b915bab487bcc5597cc [0,1,0,0,0,0|2,0,0]=3 2511 B12R0.184 CCC(C)OCCCCCC(=O)O c9b3660802819f97ee4593234c5c009c [0,1,0,0,0,0|1,0,0]=2 2512 B12R0.184 CCC(C)OCCCCOC(=O)C 50263509310dc4039f39d5bcb7995a9f [0,1,0,0,0,0|3,0,0]=4 2513 B12R0.184 CCC(C)OCCCCSC(=O)C 0263709acab3692c0c32e9093df6b4b2 [0,1,0,0,0,0|3,0,0]=4 2514 B12R0.184 CCC(C)OCCCOCC(=O)O 49b1e8429b7dee1e745ecf38fbf6b5d3 [0,1,0,0,0,0|2,0,0]=3 2515 B12R0.184 CCC(C)OCCOCCC(=O)O 2f714930e7875b222e8edc9f5e1b0bcb [0,1,0,0,0,0|2,0,0]=3 2516 B12R0.184 CCC(O)CNCCCCC(=O)C d93986c1c9613c84ca151f82c6677694 [0,1,0,0,0,0|2,0,0]=3 2517 B12R0.184 CCC(O)CNCCCCC(=O)N 3e88e01c916ba4e98dcf714f296053d2 [0,1,0,0,0,0|2,0,0]=3 2518 B12R0.184 CCC(O)CNCCCCC(=O)O 51e43f3330f2e782fd9c70834ff3dded [0,1,0,0,0,0|1,0,0]=2 2519 B12R0.184 CCC(O)CNCCCCC(C)O 9488d3e433c781586a5391c67b7befb0 [0,1,0,0,0,0|2,0,1]=4 2520 B12R0.184 CCC(O)CNCCCC[C@@H](C)O 2e04fbc4c83eed52fc42c32f720b7221 [0,1,0,0,0,0|2,0,1]=4 2521 B12R0.184 CCC(O)CNCCCNC(=O)C f15f79b40351db90cffb31b1d5a16097 [0,1,0,0,0,0|3,0,0]=4 2522 B12R0.184 CCC(O)CNCCCOC(=O)C f1508bc898f458132d50d503ba33443b [0,1,0,0,0,0|3,0,0]=4 2523 B12R0.184 CCC(O)CNCCCSC(=O)C a92697e898d061bbef3f2854576eec1b [0,1,0,0,0,0|3,0,0]=4 2524 B12R0.184 CCC(O)CNCCOCC(=O)N ac02fdc423cf1ebd4d0ed09760f38a0b [0,1,0,0,0,0|3,0,0]=4 2525 B12R0.184 CCC(O)CNCCOCC(=O)O 26255f8657414565c67095a686b94683 [0,1,0,0,0,0|2,0,0]=3 2526 B12R0.184 CCC(O)CNCCSCC(=O)O ea9fef6e8a9f33d338faf2fbc3c3abcc [0,1,0,0,0,0|2,0,0]=3 2527 B12R0.184 CCC(S)CCOC/C=C/C(=O)O 76faaa071ce28ac184f86624c9388647 [0,1,0,0,0,0|1,0,2]=4 2528 B12R0.184 CCC(S)CCOCC=CC(=O)O 7a3ef634cb1da9917666a2e3d565171b [0,1,0,0,0,0|1,0,2]=4 2529 B12R0.184 CCC(S)CCOCCCC(=O)C 83b5f2c189e41824564029b4d34fb6c0 [0,1,0,0,0,0|2,0,0]=3 2530 B12R0.184 CCC(S)CCOCCCC(=O)N 00d9d92675bc44af67e51792fca10eef [0,1,0,0,0,0|2,0,0]=3 2531 B12R0.184 CCC(S)CCOCCCC(=O)O 4bd4eede6c72611263f60646e7133705 [0,1,0,0,0,0|1,0,0]=2 2532 B12R0.184 CCC(S)CCOCCC[N+](=O)[O-] 5959903c088b61a8b073b4a4ccecb421 [0,1,0,0,0,0|2,0,1]=4 2533 B12R0.184 CCC(S)CCOCCNC(=O)C 647ad977529128d4ec58a236191b433c [0,1,0,0,0,0|3,0,0]=4 2534 B12R0.184 CCC(S)CCOCCNC(=O)N e18b849a70493cbe1f6e07eaed0f3ee4 [0,1,0,0,0,0|3,0,0]=4 2535 B12R0.184 CCC(S)CCOCCOC(=O)C ca1b48af1501c5dc5ce6961417160df9 [0,1,0,0,0,0|3,0,0]=4 2536 B12R0.184 CCC(S)CCOCCSC(=O)C d6c2998852e0e60493fe15e13bf368f0 [0,1,0,0,0,0|3,0,0]=4 2537 B12R0.184 CCN(C)CCCCCCC(=O)O 421ac9e7456e7450633f2dd83e1c3d0a [0,1,0,0,0,0|1,0,0]=2 2538 B12R0.184 CCN(C)CCCCCOC(=O)C 7e395219d4a509e0fef22f4d76f09201 [0,1,0,0,0,0|3,0,0]=4 2539 B12R0.184 CCN(C)CCCNCCC(=O)C 51d81a2a5af249c1970aa72a5b803945 [0,1,0,0,0,0|3,0,0]=4 2540 B12R0.184 CCN(C)CCCNCCC(=O)N 87f15f4269dc90d36261a143e60fef05 [0,1,0,0,0,0|3,0,0]=4 2541 B12R0.184 CCN(C)CCCNCCC(=O)O 991205cb571f9b1e22e0e3724df4ed0e [0,1,0,0,0,0|2,0,0]=3 2542 B12R0.184 CCN(C)CCCOCCC(=O)C 0aeda43f7b117e7f10eaf57bc960c9f5 [0,1,0,0,0,0|3,0,0]=4 2543 B12R0.184 CCN(C)CCCOCCC(=O)N 8655950fdcad697ed114aed474526185 [0,1,0,0,0,0|3,0,0]=4 2544 B12R0.184 CCN(C)CCCOCCC(=O)O c8a856a62341a1426785b0a3e42969b6 [0,1,0,0,0,0|2,0,0]=3 2545 B12R0.184 CC[C@@H](C)CNCCCCC(=O)N 849e3470687213ea8bd5c8ac48d1701a [0,1,0,0,0,0|2,0,0]=3 2546 B12R0.184 CC[C@@H](C)CNCCCCC(=O)O 48290853529ecd358a90466f995b4c0d [0,1,0,0,0,0|1,0,0]=2 2547 B12R0.184 CC[C@@H](C)CNCCCNC(=O)C f298e191ba1f68ee04f4fb16fe198025 [0,1,0,0,0,0|3,0,0]=4 2548 B12R0.184 CC[C@@H](C)CNCCOCC(=O)O bb4c8987fb28694087a62e2bc0485090 [0,1,0,0,0,0|2,0,0]=3 2549 B12R0.184 CC[C@@H](C)CNCCSCC(=O)O 4dec1b230624ed63de1961db6c5b11c1 [0,1,0,0,0,0|2,0,0]=3 2550 B12R0.184 CC[C@@H](C)COCCC#CC(=O)O 60457a68f6eab06e78683dbedbf66eb8 [0,1,0,0,0,0|1,0,2]=4 2551 B12R0.184 CC[C@@H](C)COCCCCC(=O)C 24458f1001af3a5d0e247335829dc54d [0,1,0,0,0,0|2,0,0]=3 2552 B12R0.184 CC[C@@H](C)COCCCCC(=O)N e75a6047eadb91080498b12c8ff672d4 [0,1,0,0,0,0|2,0,0]=3 2553 B12R0.184 CC[C@@H](C)COCCCCC(=O)O b465e6e8a8d856936133e6667519a43d [0,1,0,0,0,0|1,0,0]=2 2554 B12R0.184 CC[C@@H](C)COCCCC[N+](=O)[O-] 4ee4df43d0ac471eee4805bb7fc0b58d [0,1,0,0,0,0|2,0,1]=4 2555 B12R0.184 CC[C@@H](C)COCCCNC(=O)C 8a5954761a704cd2e778f7266d71bb2d [0,1,0,0,0,0|3,0,0]=4 2556 B12R0.184 CC[C@@H](C)COCCCOC(=O)C 0769f71e99433bc14482b54431cd6db3 [0,1,0,0,0,0|3,0,0]=4 2557 B12R0.184 CC[C@@H](C)COCCCSC(=O)C b52bf0553f4cb22c3363989c2ae34f84 [0,1,0,0,0,0|3,0,0]=4 2558 B12R0.184 CC[C@@H](C)COCCOCC(=O)N 192c228e4ea401c4a9447a93dfd012f3 [0,1,0,0,0,0|3,0,0]=4 2559 B12R0.184 CC[C@@H](C)COCCOCC(=O)O 90ac1553142312c137f7597c02cb890a [0,1,0,0,0,0|2,0,0]=3 2560 B12R0.184 CC[C@@H](C)COCCSCC(=O)N 6e3675b8c855fbfa47e9f81caa6939da [0,1,0,0,0,0|3,0,0]=4 2561 B12R0.184 CC[C@@H](C)NCCCCCC(=O)C 3420402e06e26b2ca844ec3293325cd4 [0,1,0,0,0,0|2,0,0]=3 2562 B12R0.184 CC[C@@H](C)NCCCCCC(=O)N 16e5a8d020e6956830e01a8ec51ca446 [0,1,0,0,0,0|2,0,0]=3 2563 B12R0.184 CC[C@@H](C)NCCCCOC(=O)C a9cc7ca54794f77fc79737804b2f58a7 [0,1,0,0,0,0|3,0,0]=4 2564 B12R0.184 CC[C@@H](C)NCCCCSC(=O)C 3c83bbfcff6f95c9a356f0dada06b797 [0,1,0,0,0,0|3,0,0]=4 2565 B12R0.184 CC[C@@H](C)NCCCOCC(=O)O 06505cb2edb52fad734728bd0c223599 [0,1,0,0,0,0|2,0,0]=3 2566 B12R0.184 CC[C@@H](C)NCCOCCC(=O)O deb77ffee3aa2cccac59fa78bb39e82a [0,1,0,0,0,0|2,0,0]=3 2567 B12R0.184 CC[C@@H](C)OCCCCCC(=O)C 2d6b015db0ae5155c4f7d07b80e09826 [0,1,0,0,0,0|2,0,0]=3 2568 B12R0.184 CC[C@@H](C)OCCCCCC(=O)N bd6a8a198d1db8a091fe2ac00b54cafd [0,1,0,0,0,0|2,0,0]=3 2569 B12R0.184 CC[C@@H](C)OCCCCOC(=O)C dbf2a77093c79e94256d056a6b781b7d [0,1,0,0,0,0|3,0,0]=4 2570 B12R0.184 CC[C@@H](C)OCCCCSC(=O)C 0c63fd3b3f01ca187c8e2bab93676e70 [0,1,0,0,0,0|3,0,0]=4 2571 B12R0.184 CC[C@@H](C)OCCCOCC(=O)O f331c4c6183b2a8d73adca99b9a8b12f [0,1,0,0,0,0|2,0,0]=3 2572 B12R0.184 CC[C@@H](C)OCCOCCC(=O)O a8eea697e5c0fdef64fdd14be74f4317 [0,1,0,0,0,0|2,0,0]=3 2573 B12R0.184 CC[C@@H](O)CNCCCCC(=O)C 89aed251e98fc70792cc14dc88282979 [0,1,0,0,0,0|2,0,0]=3 2574 B12R0.184 CC[C@@H](O)CNCCCCC(=O)N 559005c5326bbe86411ab7863863aa37 [0,1,0,0,0,0|2,0,0]=3 2575 B12R0.184 CC[C@@H](O)CNCCCCC(=O)O d8b00762f9205e8a434feb37d013892c [0,1,0,0,0,0|1,0,0]=2 2576 B12R0.184 CC[C@@H](O)CNCCCCC(C)O 9ce4e336ca21e4539bc41a8df0c68749 [0,1,0,0,0,0|2,0,1]=4 2577 B12R0.184 CC[C@@H](O)CNCCCC[C@@H](C)O 1b02cc1a408983761d8e0444e7cf4780 [0,1,0,0,0,0|2,0,1]=4 2578 B12R0.184 CC[C@@H](O)CNCCCNC(=O)C 3403722f1e12c8d6e2e8788cc2158b29 [0,1,0,0,0,0|3,0,0]=4 2579 B12R0.184 CC[C@@H](O)CNCCCOC(=O)C d3ee65d61eb3817002427c0b89c9b9ec [0,1,0,0,0,0|3,0,0]=4 2580 B12R0.184 CC[C@@H](O)CNCCCSC(=O)C a7b08a248df15c85b440351835be5d0a [0,1,0,0,0,0|3,0,0]=4 2581 B12R0.184 CC[C@@H](O)CNCCOCC(=O)N d91ec0bf3afe615f5ba5d0668031fa24 [0,1,0,0,0,0|3,0,0]=4 2582 B12R0.184 CC[C@@H](O)CNCCOCC(=O)O 251d80d347238f54a8e5f9596bee9820 [0,1,0,0,0,0|2,0,0]=3 2583 B12R0.184 CC[C@H](C)CCCCOCC(=O)N 3da8660ff35d9e3a08c70493c4f2ad54 [0,1,0,0,0,0|2,0,0]=3 2584 B12R0.184 CC[C@H](C)CCCCOCC(=O)O 5e1b312d5fe71ef45c85558505a92658 [0,1,0,0,0,0|1,0,0]=2 2585 B12R0.184 CC[C@H](C)CCCCOC[N+](=O)[O-] 730c1a7e688f2e3aa924ac6c116d2f6a [0,1,0,0,0,0|2,0,1]=4 2586 B12R0.184 CC[C@H](C)CCCOCCC(=O)C 94674b280c661c242f7b1b568bf670c0 [0,1,0,0,0,0|2,0,0]=3 2587 B12R0.184 CC[C@H](C)CCCOCCC(=O)N 91bdc751e13c39b740b9469b3d7bdb13 [0,1,0,0,0,0|2,0,0]=3 2588 B12R0.184 CC[C@H](C)CCCOCCC(=O)O 0cdc399044642f5b9d5487f2f4c9d5ae [0,1,0,0,0,0|1,0,0]=2 2589 B12R0.184 CC[C@H](C)CCCOCCS(=O)C 2808354fc0940bb40b32bb5d0a638495 [0,1,0,0,0,0|3,0,0]=4 2590 B12R0.184 CC[C@H](C)CCCOCOC(=O)C 55748c40a91b8d396506dd2e16be8107 [0,1,0,0,0,0|3,0,0]=4 2591 B12R0.184 CC[C@H](C)CCCOCSC(=O)N 1887097906cce09e111ffc367f772964 [0,1,0,0,0,0|3,0,0]=4 2592 B12R0.184 CC[C@H](C)CCOC/C=C/C(=O)O 24e768f38bcc3200dad79f5bac09cc9d [0,1,0,0,0,0|1,0,2]=4 2593 B12R0.184 CC[C@H](C)CCOCC=CC(=O)O 037063362dbc6c1b1db3566bdcd1724b [0,1,0,0,0,0|1,0,2]=4 2594 B12R0.184 CC[C@H](C)CCOCCCC(=O)C c8268f1305393105f5dcc10a9a11b62d [0,1,0,0,0,0|2,0,0]=3 2595 B12R0.184 CC[C@H](C)CCOCCCC(=O)N 2aaaa9d0720d71973640c92d66ba7ed7 [0,1,0,0,0,0|2,0,0]=3 2596 B12R0.184 CC[C@H](C)CCOCCC[N+](=O)[O-] 3ad3b405e68b5be505b3ef7d90ec65e3 [0,1,0,0,0,0|2,0,1]=4 2597 B12R0.184 CC[C@H](C)CCOCCNC(=O)C c53f2a3a8fe5decc35bee22604dd7a68 [0,1,0,0,0,0|3,0,0]=4 2598 B12R0.184 CC[C@H](C)CCOCCNC(=O)N ac909bc55f13b5d1c28a3f7f29a09ef6 [0,1,0,0,0,0|3,0,0]=4 2599 B12R0.184 CC[C@H](C)CCOCCOC(=O)C 1fb2d3b4ea3d38f83ae0e8377c847699 [0,1,0,0,0,0|3,0,0]=4 2600 B12R0.184 CC[C@H](C)CCOCCSC(=O)C 090592f90e5d3b796b9817f117728dbb [0,1,0,0,0,0|3,0,0]=4 2601 B12R0.184 CC[C@H](C)CNCCCCC(=O)C 322e7524baee044ed3f660d9b4a41c12 [0,1,0,0,0,0|2,0,0]=3 2602 B12R0.184 CC[C@H](C)CNCCCCC(=O)N 4148c533453f9c179c71156ae54bf176 [0,1,0,0,0,0|2,0,0]=3 2603 B12R0.184 CC[C@H](C)CNCCCCC(=O)O d8b356887b3d5a8571f15f812507a662 [0,1,0,0,0,0|1,0,0]=2 2604 B12R0.184 CC[C@H](C)CNCCCCC(C)O c711d7934433ed14eddbfc32941af530 [0,1,0,0,0,0|2,0,1]=4 2605 B12R0.184 CC[C@H](C)CNCCCC[C@@H](C)O 3da32315aa0ec8f3b5b5072f5cfd9bb8 [0,1,0,0,0,0|2,0,1]=4 2606 B12R0.184 CC[C@H](C)CNCCCNC(=O)C ad338e8a38264baffcc18d01fcd3bcb7 [0,1,0,0,0,0|3,0,0]=4 2607 B12R0.184 CC[C@H](C)CNCCCOC(=O)C 18fa6cb3ca1a983eb3c07bedbd263c33 [0,1,0,0,0,0|3,0,0]=4 2608 B12R0.184 CC[C@H](C)CNCCCSC(=O)C f515b24912645ab48fdeafbe0bda3581 [0,1,0,0,0,0|3,0,0]=4 2609 B12R0.184 CC[C@H](C)CNCCOCC(=O)N dacf6632b1a6f07f52b8faf23e352abf [0,1,0,0,0,0|3,0,0]=4 2610 B12R0.184 CC[C@H](C)CNCCOCC(=O)O b093682cf7b238ea22bc748135066334 [0,1,0,0,0,0|2,0,0]=3 2611 B12R0.184 CC[C@H](C)CNCCSCC(=O)O feff4b4d584c89548d6b35bc1ae2193f [0,1,0,0,0,0|2,0,0]=3 2612 B12R0.184 CC[C@H](C)COCCC#CC(=O)O 706daade2b91ad4c46815a567011205d [0,1,0,0,0,0|1,0,2]=4 2613 B12R0.184 CC[C@H](C)COCCCCC(=O)C 82ab0ab2e341467be7c2e562e2b707fc [0,1,0,0,0,0|2,0,0]=3 2614 B12R0.184 CC[C@H](C)COCCCCC(=O)N d43e8d0b5c9b0641b369ca650ad5c8e2 [0,1,0,0,0,0|2,0,0]=3 2615 B12R0.184 CC[C@H](C)COCCCCC(=O)O aabf08aa1b335746f76d5448c67692a0 [0,1,0,0,0,0|1,0,0]=2 2616 B12R0.184 CC[C@H](C)COCCCC[N+](=O)[O-] 0639856933a66a748578267e33ae52e4 [0,1,0,0,0,0|2,0,1]=4 2617 B12R0.184 CC[C@H](C)COCCCNC(=O)C 24deb790cc97790f321ed2f2dbe8122b [0,1,0,0,0,0|3,0,0]=4 2618 B12R0.184 CC[C@H](C)COCCCOC(=O)C 2835c38892b3e281459818a2442299bb [0,1,0,0,0,0|3,0,0]=4 2619 B12R0.184 CC[C@H](C)COCCCSC(=O)C f82d4117de6b76a30ee3e7640f1c0f57 [0,1,0,0,0,0|3,0,0]=4 2620 B12R0.184 CC[C@H](C)COCCOCC(=O)N c3c302c7b6f6ab7dae293e30f2bbe0f7 [0,1,0,0,0,0|3,0,0]=4 2621 B12R0.184 CC[C@H](C)COCCOCC(=O)O d80a309a9e24514a1e796f1a92a13c09 [0,1,0,0,0,0|2,0,0]=3 2622 B12R0.184 CC[C@H](C)COCCSCC(=O)N 46dc3a44723060ec117af52a0cc4eb8e [0,1,0,0,0,0|3,0,0]=4 2623 B12R0.184 CC[C@H](C)NCCCCCC(=O)C a59f3b2c87bae08dfd259d38c0b205be [0,1,0,0,0,0|2,0,0]=3 2624 B12R0.184 CC[C@H](C)NCCCCCC(=O)N fea2f6e7ef3db07ab6bcaeda86157e3b [0,1,0,0,0,0|2,0,0]=3 2625 B12R0.184 CC[C@H](C)NCCCCOC(=O)C 2c710517b112af0c19ef1056b4dc857b [0,1,0,0,0,0|3,0,0]=4 2626 B12R0.184 CC[C@H](C)NCCCCSC(=O)C 59a8d214537c2d4b703ce802d30934e2 [0,1,0,0,0,0|3,0,0]=4 2627 B12R0.184 CC[C@H](C)NCCCOCC(=O)O 7a81b4f9c3c2c6887a3b39f445f7701a [0,1,0,0,0,0|2,0,0]=3 2628 B12R0.184 CC[C@H](C)NCCOCCC(=O)O e5c8ae349902fe34c58c1fc757d601d8 [0,1,0,0,0,0|2,0,0]=3 2629 B12R0.184 CC[C@H](C)OCCCCCC(=O)C 282c3e9e9793146e73f2973154dc1a55 [0,1,0,0,0,0|2,0,0]=3 2630 B12R0.184 CC[C@H](C)OCCCCCC(=O)N 0b74a36635339e3cb96cbf0d609d98d5 [0,1,0,0,0,0|2,0,0]=3 2631 B12R0.184 CC[C@H](C)OCCCCOC(=O)C 465612ee1f06f7e8c27f22ca241019d7 [0,1,0,0,0,0|3,0,0]=4 2632 B12R0.184 CC[C@H](C)OCCCCSC(=O)C 87e097a13708bcd95b245c277576cd52 [0,1,0,0,0,0|3,0,0]=4 2633 B12R0.184 CC[C@H](C)OCCCOCC(=O)O c09b37ca2e067ae46bfd34e0091e9ee6 [0,1,0,0,0,0|2,0,0]=3 2634 B12R0.184 CC[C@H](C)OCCOCCC(=O)O 7ca934b61ac112acfcb8f4c2896e52ef [0,1,0,0,0,0|2,0,0]=3 2635 B12R0.184 CN(CF)CCCCCCC(=O)O 9cb33b7e8fbed25e182cec1facdb87f1 [0,1,0,0,0,0|2,0,0]=3 2636 B12R0.184 CN(CO)CCCCCCC(=O)O 092b14900728cd7141ba7e135dc1b373 [0,1,0,0,0,0|2,0,0]=3 2637 B12R0.184 CNC(=O)CCCNCCC(=O)O dafec3578cc2dc53a931a4ede34d3f98 [0,1,0,0,0,0|2,0,1]=4 2638 B12R0.184 CNC(=O)CCCOCCC(=O)O 0420d13191594fb7cae58c62bdce1afc [0,1,0,0,0,0|2,0,1]=4 2639 B12R0.184 CNC(=O)CCNCCCC(=O)O ad2632c7b4926b571582183cfadfcb83 [0,1,0,0,0,0|2,0,1]=4 2640 B12R0.184 CNC(=O)CCOCCCC(=O)O 3d51c25a6628fd1f930dbff4d6e5c45c [0,1,0,0,0,0|2,0,1]=4 2641 B12R0.184 CNC(=O)CNCCCCC(=O)O 8e4d72a83ac211c1ecdce7cfb46ebda0 [0,1,0,0,0,0|2,0,1]=4 2642 B12R0.184 CNC(=O)COCCCCC(=O)O 99f5996fb49174c1d9ae0c8e8904a76b [0,1,0,0,0,0|2,0,1]=4 2643 B12R0.184 COC(=O)CCCCNCC(=O)O 0b3184ac06c16dacf1947c0cc9dc6535 [0,1,0,0,0,0|2,0,1]=4 2644 B12R0.184 COC(=O)CCCCOCC(=O)O ee112d28d090d5ca6a07aa2a94d69b4a [0,1,0,0,0,0|2,0,1]=4 2645 B12R0.184 COC(=O)CCCNCCC(=O)O dd8cebfff5eafa9a40cd99c1592442fa [0,1,0,0,0,0|2,0,1]=4 2646 B12R0.184 COC(=O)CCCOCCC(=O)O 7e635d959139d76ff8c5ff138cd24d0f [0,1,0,0,0,0|2,0,1]=4 2647 B12R0.184 COC(=O)CCNCCCC(=O)O e14cd55ba5ada214ab2aaee9b017a339 [0,1,0,0,0,0|2,0,1]=4 2648 B12R0.184 COC(=O)CNCCCCC(=O)O 5db29a101217fb3d9541cad6a6538573 [0,1,0,0,0,0|2,0,1]=4 2649 B12R0.184 COC(=O)COCCCCC(=O)O ce2fee8af574f5db21d860fe594cb936 [0,1,0,0,0,0|2,0,1]=4 2650 B12R0.184 COC(C)CCOCCCC(=O)C dc3cf1d5b3e2dddb27bf449547b1a6bc [0,1,0,0,0,0|3,0,0]=4 2651 B12R0.184 COC(C)CCOCCCC(=O)N da5fd3c89457514c7be81ec08656bb24 [0,1,0,0,0,0|3,0,0]=4 2652 B12R0.184 COC(C)CNCCCCC(=O)N 7813fbb7d324aee4800cc5d7fdc552aa [0,1,0,0,0,0|3,0,0]=4 2653 B12R0.184 COC(C)CNCCCCC(=O)O d620b45500f21ff61b4a973f554187d5 [0,1,0,0,0,0|2,0,0]=3 2654 B12R0.184 COC(C)CNCCOCC(=O)O 788f533eebf24d1a5551e6c0cee598ac [0,1,0,0,0,0|3,0,0]=4 2655 B12R0.184 COC(C)COCCCCC(=O)C 823b53eb131b9adef821f36e5165e4ff [0,1,0,0,0,0|3,0,0]=4 2656 B12R0.184 COC(C)COCCCCC(=O)N aa0b8a719700b18d72b589de201c1c43 [0,1,0,0,0,0|3,0,0]=4 2657 B12R0.184 COC(C)COCCCCC(=O)O 80270bd8bbe67c5309302b157cf4c8ac [0,1,0,0,0,0|2,0,0]=3 2658 B12R0.184 COC(C)COCCOCC(=O)O a9e77749eb6579f726d74a00756f56fa [0,1,0,0,0,0|3,0,0]=4 2659 B12R0.184 CO[C@@H](C)CNCCCCC(=O)C 4c854c775d1ace3d34d42811e0d0347d [0,1,0,0,0,0|3,0,0]=4 2660 B12R0.184 CO[C@@H](C)CNCCCCC(=O)N 699f761afb4dcfc003907759e3a88608 [0,1,0,0,0,0|3,0,0]=4 2661 B12R0.184 CO[C@@H](C)CNCCCCC(=O)O 57b59fde71ece549b566e0e3ed3d242c [0,1,0,0,0,0|2,0,0]=3 2662 B12R0.184 CO[C@@H](C)CNCCOCC(=O)O 452cc415f77370a542a10b9ba463c82c [0,1,0,0,0,0|3,0,0]=4 2663 B12R0.184 CO[C@@H](C)COCCCCC(=O)C f451d06714dd2e2214a5ffe37d952b70 [0,1,0,0,0,0|3,0,0]=4 2664 B12R0.184 CO[C@@H](C)COCCCCC(=O)N 6e7585d9fe0e9a8c067ab0db9d092743 [0,1,0,0,0,0|3,0,0]=4 2665 B12R0.184 CO[C@@H](C)COCCCCC(=O)O 72fe6f2c31bf528e8cfda213ea182cc0 [0,1,0,0,0,0|2,0,0]=3 2666 B12R0.184 CO[C@@H](C)COCCOCC(=O)O f0dbde60f40cd4ec9862a6a1a3f2fc99 [0,1,0,0,0,0|3,0,0]=4 2667 B12R0.184 CO[C@H](C)CNCCCCC(=O)C 33cc3bffa22d267caf2207e9c0cac991 [0,1,0,0,0,0|3,0,0]=4 2668 B12R0.184 CO[C@H](C)CNCCCCC(=O)N 51bab0c8b1b80174067a7a98a1505f3f [0,1,0,0,0,0|3,0,0]=4 2669 B12R0.184 CO[C@H](C)CNCCCCC(=O)O 9be5be160e41b6e68d5f911bcb29722d [0,1,0,0,0,0|2,0,0]=3 2670 B12R0.184 CO[C@H](C)CNCCOCC(=O)O be3279f556b3ae00226d4c943efcf49b [0,1,0,0,0,0|3,0,0]=4 2671 B12R0.184 CO[C@H](C)COCCCCC(=O)C 4486d19167b0397db4b0b7f7f4753ffb [0,1,0,0,0,0|3,0,0]=4 2672 B12R0.184 CO[C@H](C)COCCCCC(=O)N 8a0c7a732f87d926408e47527b711a88 [0,1,0,0,0,0|3,0,0]=4 2673 B12R0.184 CO[C@H](C)COCCCCC(=O)O 713116f7799f28cce1f677b39462ac70 [0,1,0,0,0,0|2,0,0]=3 2674 B12R0.184 CO[C@H](C)COCCOCC(=O)O 2d989c35be9d32570e9637ad81dc1cea [0,1,0,0,0,0|3,0,0]=4 2675 B12R0.184 C[C@@H](CO)CCNCCCC(=O)N b9f4ea3f2282c1a0c04cba75d7d26de5 [0,1,0,0,0,0|3,0,0]=4 2676 B12R0.184 C[C@@H](CO)CNCCCCC(=O)N 190e6bcbd6dc8de38c5ea9a148d91d74 [0,1,0,0,0,0|3,0,0]=4 2677 B12R0.184 C[C@@H](CO)CNCCCCC(=O)O 42c900d6b2e6525e8c38fbf610d49e0c [0,1,0,0,0,0|2,0,0]=3 2678 B12R0.184 C[C@@H](CO)CNCCOCC(=O)O 05e65891f12c368a488be990fc00d590 [0,1,0,0,0,0|3,0,0]=4 2679 B12R0.184 C[C@@H](CO)CNCCSCC(=O)O 5d2cf76dacb524513dff5e9b23949664 [0,1,0,0,0,0|3,0,0]=4 2680 B12R0.184 C[C@@H](CO)NCCCCCC(=O)N 173d5cb2f3a6e71a942857b8809786f5 [0,1,0,0,0,0|3,0,0]=4 2681 B12R0.184 C[C@@H](CO)NCCCCCC(=O)O 1e02722b5da08fcefba034c200c8caa4 [0,1,0,0,0,0|2,0,0]=3 2682 B12R0.184 C[C@@H](CO)NCCCOCC(=O)O 2a9dd2c937b9e12fb13d5a0444ac0bb3 [0,1,0,0,0,0|3,0,0]=4 2683 B12R0.184 C[C@@H](CO)NCCOCCC(=O)O 315d184726987ca73724c49eedc72b89 [0,1,0,0,0,0|3,0,0]=4 2684 B12R0.184 C[C@H](C=O)NCCCCCC(=O)O a2abf75d3ee9f76340b3c845bebe7f3f [0,1,0,0,0,0|2,0,1]=4 2685 B12R0.184 C[C@H](C=O)OCCCCCC(=O)O fe6517326e9eed48da49d50bf0ed16f3 [0,1,0,0,0,0|2,0,1]=4 2686 B12R0.184 C[C@H](CO)CNCCCCC(=O)N 55a98078c7f4ba449f9ccd149ac46b7d [0,1,0,0,0,0|3,0,0]=4 2687 B12R0.184 C[C@H](CO)CNCCCCC(=O)O 2c39f38817d03e15d3a0ca3ae06d99aa [0,1,0,0,0,0|2,0,0]=3 2688 B12R0.184 C[C@H](CO)CNCCOCC(=O)O 868e56dc1aa414f4887abfe10bb401ba [0,1,0,0,0,0|3,0,0]=4 2689 B12R0.184 C[C@H](CO)CNCCSCC(=O)O 4b1440a6d24ac578cea66f5624c4da76 [0,1,0,0,0,0|3,0,0]=4 2690 B12R0.184 C[C@H](CO)NCCCCCC(=O)N f4ad135a75836120e06bcee0f7ebf330 [0,1,0,0,0,0|3,0,0]=4 2691 B12R0.184 C[C@H](CO)NCCCCCC(=O)O 399a5ec6d18c9f58630b7d30885768f8 [0,1,0,0,0,0|2,0,0]=3 2692 B12R0.184 C[C@H](CO)NCCCOCC(=O)O 27c72e61f611761069433713a70ca091 [0,1,0,0,0,0|3,0,0]=4 2693 B12R0.184 C[C@H](CO)NCCOCCC(=O)O d86de84c22afcb5ec473495b0070ffbe [0,1,0,0,0,0|3,0,0]=4 2694 B12R0.184 C[C@H](CS)OCCCCCC(=O)N 3697eca3fdc4a3bd21be89082343d459 [0,1,0,0,0,0|3,0,0]=4 2695 B12R0.184 C[C@H](CS)OCCOCCC(=O)O 178c3f597c58cd303c99f9daae557d22 [0,1,0,0,0,0|3,0,0]=4 2696 B12R0.184 NC(=O)CCCCNCC(Br)CBr 3eeff324418b810dad69e8e790225748 [0,1,0,0,0,0|3,0,0]=4 2697 B12R0.184 NC(=O)CCCCNCC(F)CO ae83ea37d62e0066cfc949b9a9516cf5 [0,1,0,0,0,0|3,0,0]=4 2698 B12R0.184 NC(=O)CCCCNCC(O)CF 54f718a6c2c587b460295aeb0820e540 [0,1,0,0,0,0|3,0,0]=4 2699 B12R0.184 NC(=O)CCCCNCC(O)CO 57a5b67a25b2ec69493013e2a40a0006 [0,1,0,0,0,0|3,0,0]=4 2700 B12R0.184 NC(=O)CCCCNC[C@@H](F)CO cfbf49faa40483326f04ca084405f33a [0,1,0,0,0,0|3,0,0]=4 2701 B12R0.184 NC(=O)CCCCNC[C@@H](O)CO e49cc9704a6a78a2af287e8f24c29b96 [0,1,0,0,0,0|3,0,0]=4 2702 B12R0.184 NC(=O)CCCCNC[C@H](F)CO dceb469a97b6d2fb5653c4bf9b3f3c2e [0,1,0,0,0,0|3,0,0]=4 2703 B12R0.184 NC(=O)CCCCNC[C@H](O)CO 34e262886f79c285abdd00ba91cb35ca [0,1,0,0,0,0|3,0,0]=4 2704 B12R0.184 NC(=O)CCCCOCC(Br)CBr 86f33dcb6b5e646de18af4d62487fb28 [0,1,0,0,0,0|3,0,0]=4 2705 B12R0.184 NC(=O)CCCCOCC(Cl)CCl 2bc31599ea1eafb8d9b86d46606660f1 [0,1,0,0,0,0|3,0,0]=4 2706 B12R0.184 NC(=O)CCCCOCC(O)CO 872f530afe76abbb3d32978439d99cdd [0,1,0,0,0,0|3,0,0]=4 2707 B12R0.184 NC(=O)CCCCOCC(S)CS cd29a4359bca0962a452f085d9c6a72f [0,1,0,0,0,0|3,0,0]=4 2708 B12R0.184 NC(=O)CCCCOC[C@@H](O)CO cdfe6334dba37fbd000b76caacfac00c [0,1,0,0,0,0|3,0,0]=4 2709 B12R0.184 NC(=O)CCCCOC[C@H](O)CO 2144ef4289795b3f3d92b7d7e2381834 [0,1,0,0,0,0|3,0,0]=4 2710 B12R0.184 NC(=O)CCCNCCC(O)CO 9f79e779461fcabad8570e0079e802c9 [0,1,0,0,0,0|3,0,0]=4 2711 B12R0.184 O=C(O)CCCCNCC(=O)CO e9635328b2ce11e07fa947f6c01cb092 [0,1,0,0,0,0|2,0,1]=4 2712 B12R0.184 O=C(O)CCCCNCC(F)CO 22252e61f3049c63be5a59704b314661 [0,1,0,0,0,0|2,0,0]=3 2713 B12R0.184 O=C(O)CCCCNCC(O)CF f9b4307bb379d3b4abd0d5601ae8d7fa [0,1,0,0,0,0|2,0,0]=3 2714 B12R0.184 O=C(O)CCCCNCC(O)CO a3d26b68d54a95c5de03e8907ad9eec3 [0,1,0,0,0,0|2,0,0]=3 2715 B12R0.184 O=C(O)CCCCNC[C@@H](F)CO 0c1f8ddb641baf69c1e02d1d656d396e [0,1,0,0,0,0|2,0,0]=3 2716 B12R0.184 O=C(O)CCCCNC[C@@H](O)CO 5f411edc74e18f5dd7d2207c7417731d [0,1,0,0,0,0|2,0,0]=3 2717 B12R0.184 O=C(O)CCCCNC[C@H](F)CO b36c983df5a7f232b86b885de23b157a [0,1,0,0,0,0|2,0,0]=3 2718 B12R0.184 O=C(O)CCCCNC[C@H](O)CO efce1614840fe4700434d9a2da666a18 [0,1,0,0,0,0|2,0,0]=3 2719 B12R0.184 O=C(O)CCCCOCC(O)CO 8e355a678f43bd73c13e407ac745b230 [0,1,0,0,0,0|2,0,0]=3 2720 B12R0.184 O=C(O)CCCCOC[C@@H](O)CO 509217a29954fc1637b9a42c7724f05f [0,1,0,0,0,0|2,0,0]=3 2721 B12R0.184 O=C(O)CCCCOC[C@H](O)CO a80cc120255a85721a4dbf94d71ba6cf [0,1,0,0,0,0|2,0,0]=3 2722 B12R0.184 O=C(O)CCCNCCC(O)CO 4c20ae8d90f7369365d2a0fe81d4cf72 [0,1,0,0,0,0|2,0,0]=3 2723 B12R0.184 O=C(O)COCCNCC(Br)CBr e0d2f7b7cb231ec17a9feaab1e4e7c20 [0,1,0,0,0,0|3,0,0]=4 2724 B12R0.184 O=C(O)COCCNCC(F)CO e2c8a64f865918f9c1977dfb25da5bee [0,1,0,0,0,0|3,0,0]=4 2725 B12R0.184 O=C(O)COCCNCC(O)CF c4d49c60b562f03ff17c9b2fb0d07b5a [0,1,0,0,0,0|3,0,0]=4 2726 B12R0.184 O=C(O)COCCNCC(O)CO c6fe38319f250bd634cc2dffe5fb1ba8 [0,1,0,0,0,0|3,0,0]=4 2727 B12R0.184 O=C(O)COCCNC[C@@H](F)CO 542f6ec13740b2608ef875bb246515a0 [0,1,0,0,0,0|3,0,0]=4 2728 B12R0.184 O=C(O)COCCNC[C@@H](O)CO ec9172caae7f441e1c0eb470d39e39af [0,1,0,0,0,0|3,0,0]=4 2729 B12R0.184 O=C(O)COCCNC[C@H](F)CO a47f9d7cd3523075afa9062ec1f82195 [0,1,0,0,0,0|3,0,0]=4 2730 B12R0.184 O=C(O)COCCNC[C@H](O)CO e3b1922912fa0beae5bd1d12c9c2777f [0,1,0,0,0,0|3,0,0]=4 2731 B12R0.184 O=C(O)COCCOCC(Br)CBr b9b3b1a3745ffa35df3c7f7424b37fef [0,1,0,0,0,0|3,0,0]=4 2732 B12R0.184 O=C(O)COCCOCC(Cl)CCl 9ee1083739c0d11009edc8d1eb09f168 [0,1,0,0,0,0|3,0,0]=4 2733 B12R0.184 O=C(O)COCCOCC(O)CO e6ac8040db3824708834781ce3fc1c97 [0,1,0,0,0,0|3,0,0]=4 2734 B12R0.184 O=C(O)COCCOCC(S)CS 400a159e65659096ec3a706b308526d3 [0,1,0,0,0,0|3,0,0]=4 2735 B12R0.184 O=C(O)COCCOC[C@@H](O)CO f02b227f94f0859097e24e8db1c6ec00 [0,1,0,0,0,0|3,0,0]=4 2736 B12R0.184 O=C(O)COCCOC[C@H](O)CO e7f243209288d4664ca953afb4765d01 [0,1,0,0,0,0|3,0,0]=4 2737 B12R0.184 O=C(O)CSCCNCC(O)CF bd5e8383f1d9d3fc6d10a6e0819f5101 [0,1,0,0,0,0|3,0,0]=4 2738 B12R0.184 O=C(O)CSCCNCC(O)CO 6b594d16f23cc1ed4a5b01483b6858eb [0,1,0,0,0,0|3,0,0]=4 2739 B12R0.184 O=C(O)CSCCNC[C@@H](O)CO faf8c4c1fd37ca75c4e6980a1b1f310f [0,1,0,0,0,0|3,0,0]=4 2740 B12R0.184 O=C(O)CSCCNC[C@H](O)CO 0d9f83c14b757bcbb8f38cdf3f17c935 [0,1,0,0,0,0|3,0,0]=4 2741 B12R0.233 C#CCCCN(C)CCCC(=O)O b19085c1123571b433591fc3ce4cd5b0 [0,1,0,0,0,0|1,0,2]=4 2742 B12R0.233 C=C(Br)CCOC(C)CCCCC 3a3f40672c13ff4ca1c3490311fddf7a [0,1,0,0,0,0|3,0,0]=4 2743 B12R0.233 C=C(Br)CCO[C@@H](C)CCCCC 9d6c2e4eeb313cf2acdf62cda35251b1 [0,1,0,0,0,0|3,0,0]=4 2744 B12R0.233 C=C(Br)COCC(C)CCCCC b0718c3d9d8b2c8d03889da409f7aeb2 [0,1,0,0,0,0|3,0,0]=4 2745 B12R0.233 C=C(C)CCCC(C)CCOCC d1733e26fe61a6ae84121b39faf18c96 [0,1,0,0,0,0|3,0,0]=4 2746 B12R0.233 C=C(C)CCCN(C)CCCCC ab4de516041800383dd3016d549a9d9e [0,1,0,0,0,0|3,0,0]=4 2747 B12R0.233 C=C(C)CCNC(C)CCCCC d949a1821d40689f1da624343f345719 [0,1,0,0,0,0|3,0,0]=4 2748 B12R0.233 C=C(C)CCN[C@@H](C)CCCCC 2e9611c319e78b6b57a9e39738165076 [0,1,0,0,0,0|3,0,0]=4 2749 B12R0.233 C=C(C)CCOC(C)CCCCC 2438f845345f1eda423c2ed340b482e5 [0,1,0,0,0,0|3,0,0]=4 2750 B12R0.233 C=C(C)CCO[C@@H](C)CCCCC c4731d5080d962ab01b0e5f9fecf5c59 [0,1,0,0,0,0|3,0,0]=4 2751 B12R0.233 C=C(C)CCO[C@H](C)CCCCC 383341a6a16f8dcf0d4ea5f6a231a77e [0,1,0,0,0,0|3,0,0]=4 2752 B12R0.233 C=C(C)COCC(C)CCCCC bcf4632d34917bdc6b9adc73ada67022 [0,1,0,0,0,0|3,0,0]=4 2753 B12R0.233 C=C(Cl)COCC(C)CCCCC 9707fffad5c15b5a1770e754e306ae8f [0,1,0,0,0,0|3,0,0]=4 2754 B12R0.233 C=C(F)COCC(C)CCCCC fe9a54c3af75663feec8cd9066cf543b [0,1,0,0,0,0|3,0,0]=4 2755 B12R0.233 C=CCCCN(C)CCCC(=O)O 5a888c0af6368db4a0dc807b8ad9b287 [0,1,0,0,0,0|1,0,2]=4 2756 B12R0.233 C=CCCC[C@H](C)OCCC(=O)O fafc610fdca985d19e7f82d9eba059b4 [0,1,0,0,0,0|1,0,2]=4 2757 B12R0.233 CC(=O)CCCN(C)CCCCO dc8d1d3c886a7955530a37ca99f6dcb1 [0,1,0,0,0,0|3,0,0]=4 2758 B12R0.233 CC(CCCCO)NCCC(=O)N a1f71be0dfe59f311edb15b3006a13cf [0,1,0,0,0,0|3,0,0]=4 2759 B12R0.233 CC(CCCCO)NCCC(=O)O 05aafed802eefe741aaf6c454a90811b [0,1,0,0,0,0|2,0,0]=3 2760 B12R0.233 CC(CCCCO)NCCS(=O)O e6bb6783cf080d944bcbc2d08f5cd46e [0,1,0,0,0,0|3,0,0]=4 2761 B12R0.233 CC/C=C/CN(C)CCCC(=O)O 8ad8dacb9a9356a088bd8e7d74810b67 [0,1,0,0,0,0|1,0,2]=4 2762 B12R0.233 CCCCCC(=O)CNCC(=O)C 6979803c352a182dc7cf83a7eb55fc36 [0,1,0,0,0,0|2,0,1]=4 2763 B12R0.233 CCCCCC(=O)CNCC(=O)N 1624396648f164e7bd77195ec427be39 [0,1,0,0,0,0|2,0,1]=4 2764 B12R0.233 CCCCCC(=O)COCC(=O)C ed72604290244ef2364f88d4acd732a8 [0,1,0,0,0,0|2,0,1]=4 2765 B12R0.233 CCCCCC(=O)COCC(=O)N 53ab8d245cf077d2c985a7623e67da9c [0,1,0,0,0,0|2,0,1]=4 2766 B12R0.233 CCCCCC(=O)COCS(=O)O e3da4712ad4f99716888e341dffb62c1 [0,1,0,0,0,0|2,0,1]=4 2767 B12R0.233 CCCCCC(=O)NCCC(=O)N 524c5fd100384fcb881aa249de13183e [0,1,0,0,0,0|2,0,1]=4 2768 B12R0.233 CCCCCC(=O)NCCS(=O)O 54eec11e5513c33cae3ca42cfe9a88f4 [0,1,0,0,0,0|2,0,1]=4 2769 B12R0.233 CCCCCC(C)COCC(=O)N 651016accbfbfe82c588a086ecf7ab2b [0,1,0,0,0,0|2,0,0]=3 2770 B12R0.233 CCCCCC(C)COCC(=O)O 81c74f114655b4076459ce3fa87f3974 [0,1,0,0,0,0|1,0,0]=2 2771 B12R0.233 CCCCCC(C)COC[N+](=O)[O-] 8f2865f6902fd4875b920202cbabef7f [0,1,0,0,0,0|2,0,1]=4 2772 B12R0.233 CCCCCC(C)NCCC(=O)C ca523037baf6121595d047b8b65764c7 [0,1,0,0,0,0|2,0,0]=3 2773 B12R0.233 CCCCCC(C)NCCC(=O)N 92c384ad8723744c401dde793da15fa8 [0,1,0,0,0,0|2,0,0]=3 2774 B12R0.233 CCCCCC(C)NCCC(=O)O 05cad023ab20b6292f356b8740b9a6ca [0,1,0,0,0,0|1,0,0]=2 2775 B12R0.233 CCCCCC(C)NCCC(=S)N 7e9ed519c8782ffd6eadb3d28998a74a [0,1,0,0,0,0|2,1,0]=4 2776 B12R0.233 CCCCCC(C)NCCC(C)O 2e8f135b250c8d8032391c08c421d774 [0,1,0,0,0,0|2,0,1]=4 2777 B12R0.233 CCCCCC(C)NCCS(=O)C 8ace159d91dc2d7c8595c9c089f7589f [0,1,0,0,0,0|3,0,0]=4 2778 B12R0.233 CCCCCC(C)NCCS(=O)O e57746bc06febdafa2a17995b0432458 [0,1,0,0,0,0|2,0,0]=3 2779 B12R0.233 CCCCCC(C)NCC[C@@H](C)O 5158f540596738c6e4340c80c5703ec9 [0,1,0,0,0,0|2,0,1]=4 2780 B12R0.233 CCCCCC(C)NCC[C@H](C)O 8d4cacde00c91428fc1db84e559ed2eb [0,1,0,0,0,0|2,0,1]=4 2781 B12R0.233 CCCCCC(C)NCOC(=O)C 2863d73c3fb549c00c3482fa1dccda6b [0,1,0,0,0,0|3,0,0]=4 2782 B12R0.233 CCCCCC(C)NCSC(=O)N cc18ac527f86191a2ee577cb24538171 [0,1,0,0,0,0|3,0,0]=4 2783 B12R0.233 CCCCCC(C)OCCC(=O)C 49212f27a69ad4babeadaa822182164c [0,1,0,0,0,0|2,0,0]=3 2784 B12R0.233 CCCCCC(C)OCCC(=O)N 96f2416a8b53cc7bce00950e269e8492 [0,1,0,0,0,0|2,0,0]=3 2785 B12R0.233 CCCCCC(C)OCCS(=O)C a28f85c40aa4985b5faead7afa3ce21c [0,1,0,0,0,0|3,0,0]=4 2786 B12R0.233 CCCCCC(C)OCC[N+](=O)[O-] d5edd48fb0e91b18162da20740342fed [0,1,0,0,0,0|2,0,1]=4 2787 B12R0.233 CCCCCC(C)OCNC(=O)C 91805c805e287af760cc68d3ad7482e5 [0,1,0,0,0,0|3,0,0]=4 2788 B12R0.233 CCCCCC(C)OCNC(=O)N d4c287d7fbdf4f059c866d55184e9061 [0,1,0,0,0,0|3,0,0]=4 2789 B12R0.233 CCCCCC(C)OCOC(=O)C cc0aff30e47316fda9ebfe3393e580e4 [0,1,0,0,0,0|3,0,0]=4 2790 B12R0.233 CCCCCC(C)OCSC(=O)N b97bc44477669b368dea85af79bb7745 [0,1,0,0,0,0|3,0,0]=4 2791 B12R0.233 CCCCCN(C)C/C=C/C(=O)O 3ccd9989ece5a612989690d0662597b9 [0,1,0,0,0,0|1,0,2]=4 2792 B12R0.233 CCCCCN(C)CC=CC(=O)O 9760329cfd515632dbb20e6c68fc07aa [0,1,0,0,0,0|1,0,2]=4 2793 B12R0.233 CCCCCN(C)CCCC(=O)C da826910ffd9c9e43bc3128cc3be90cf [0,1,0,0,0,0|2,0,0]=3 2794 B12R0.233 CCCCCN(C)CCCC(=O)N 428cf2bee25d1564324fe7f0cdc055f6 [0,1,0,0,0,0|2,0,0]=3 2795 B12R0.233 CCCCCN(C)CCCC(=O)O 0f59389ce29ac8a9b550931c1f546c61 [0,1,0,0,0,0|1,0,0]=2 2796 B12R0.233 CCCCCN(C)CCCC(C)O 3b86c2a7a57e43106e61c7cf0aa9d471 [0,1,0,0,0,0|2,0,1]=4 2797 B12R0.233 CCCCCN(C)CCNC(=O)C 3bfb6fde304dd326aecdf459a119a16a [0,1,0,0,0,0|3,0,0]=4 2798 B12R0.233 CCCCCN(C)CCNC(=O)N 0465baa2e75dee232a4241ca46bdc5f0 [0,1,0,0,0,0|3,0,0]=4 2799 B12R0.233 CCCCCN(C)CCOC(=O)C 958b61851345e0ae0e7479383c138e50 [0,1,0,0,0,0|3,0,0]=4 2800 B12R0.233 CCCCCN(C)CCSC(=O)C 614eccf3fb6ea71c24db98ba62133b2d [0,1,0,0,0,0|3,0,0]=4 2801 B12R0.233 CCCCC[C@@H](C)OCCC(=O)C 1e961630be852b4f9db98793735eca13 [0,1,0,0,0,0|2,0,0]=3 2802 B12R0.233 CCCCC[C@@H](C)OCCC(=O)N 3f3e2c45720df1da4cee54aa8acfb198 [0,1,0,0,0,0|2,0,0]=3 2803 B12R0.233 CCCCC[C@@H](C)OCCS(=O)C 2154d947aaea8c06c10de2ff7a562b56 [0,1,0,0,0,0|3,0,0]=4 2804 B12R0.233 CCCCC[C@@H](C)OCOC(=O)C b8f75782a5dd4a1d19caff6a9af97a99 [0,1,0,0,0,0|3,0,0]=4 2805 B12R0.233 CCCCC[C@@H](C)OCSC(=O)N 377eb9481b561d401f1cec84bd849bfb [0,1,0,0,0,0|3,0,0]=4 2806 B12R0.233 CCCCC[C@H](C)NCCC(=O)C bb0e17d5bac070abf327b40ef4908e24 [0,1,0,0,0,0|2,0,0]=3 2807 B12R0.233 CCCCC[C@H](C)NCCC(=O)N 4729cd7c62acf2dfdf27c1afcb2f8e44 [0,1,0,0,0,0|2,0,0]=3 2808 B12R0.233 CCCCC[C@H](C)NCCC(=O)O 5b34d2ac605baf095b301b99afc4dfd4 [0,1,0,0,0,0|1,0,0]=2 2809 B12R0.233 CCCCC[C@H](C)NCCC(=S)N 55fbca4dfb6069e5097e66dd536ad46c [0,1,0,0,0,0|2,1,0]=4 2810 B12R0.233 CCCCC[C@H](C)NCCC(C)O 88c87c0426ba48940da6e5a34b3f661f [0,1,0,0,0,0|2,0,1]=4 2811 B12R0.233 CCCCC[C@H](C)NCCS(=O)C 5562f52d6b9fa155203951c07be1df71 [0,1,0,0,0,0|3,0,0]=4 2812 B12R0.233 CCCCC[C@H](C)NCCS(=O)O a3faef4f61ad166631ed0099cd5f53d9 [0,1,0,0,0,0|2,0,0]=3 2813 B12R0.233 CCCCC[C@H](C)NCC[C@@H](C)O b1b3fb51506042884954e356c5a7ea41 [0,1,0,0,0,0|2,0,1]=4 2814 B12R0.233 CCCCC[C@H](C)NCC[C@H](C)O 7e31ad5a12d36049f91ba385cea5f0b0 [0,1,0,0,0,0|2,0,1]=4 2815 B12R0.233 CCCCC[C@H](C)NCOC(=O)C e0ed6cdfedff7ad35952e6cb89cff185 [0,1,0,0,0,0|3,0,0]=4 2816 B12R0.233 CCCCC[C@H](C)NCSC(=O)N eacf3b2e8fa1daf6071d37cf9b0a42f3 [0,1,0,0,0,0|3,0,0]=4 2817 B12R0.233 CCCCC[C@H](C)OCCC(=O)C cf1bce5f8772a5ffce7117f2be93cad3 [0,1,0,0,0,0|2,0,0]=3 2818 B12R0.233 CCCCC[C@H](C)OCCC(=O)N 5f09950d091832a5e500d9e799a94461 [0,1,0,0,0,0|2,0,0]=3 2819 B12R0.233 CCCCC[C@H](C)OCCS(=O)C d8691ff9001f6146b9bdd4c7ba86349b [0,1,0,0,0,0|3,0,0]=4 2820 B12R0.233 CCCCC[C@H](C)OCC[N+](=O)[O-] 81e55755caf315daac89fa801306bf83 [0,1,0,0,0,0|2,0,1]=4 2821 B12R0.233 CCCCC[C@H](C)OCNC(=O)C 555584ebe98f74d263311fb9ff33edd2 [0,1,0,0,0,0|3,0,0]=4 2822 B12R0.233 CCCCC[C@H](C)OCNC(=O)N b3a71460df2122e402080a5ab0c41090 [0,1,0,0,0,0|3,0,0]=4 2823 B12R0.233 CCCCC[C@H](C)OCOC(=O)C 8248fffdc64b54e7ef4f75e7e5469ad3 [0,1,0,0,0,0|3,0,0]=4 2824 B12R0.233 CCCCC[C@H](C)OCSC(=O)N 1d24f9b444df1254dac7e3b7670c42d9 [0,1,0,0,0,0|3,0,0]=4 2825 B12R0.233 CCCCNC(=O)CCCC(=O)C a358c740f127bd9f5a9a662256d126a5 [0,1,0,0,0,0|2,0,1]=4 2826 B12R0.233 CCCCNC(=O)CCCC(=O)N b4166fe329d2a52fb2e41d0483642085 [0,1,0,0,0,0|2,0,1]=4 2827 B12R0.233 CCCCNC(=O)CNCC(=O)O 19c8bc2e147960968f0131fec2036efc [0,1,0,0,0,0|2,0,1]=4 2828 B12R0.233 CCCCNC(=O)COCC(=O)O 7bb3c8cfc3f2662a8e59b6454a489ada [0,1,0,0,0,0|2,0,1]=4 2829 B12R0.233 CCCCNC(=O)NCCC(=O)O 42453b252a027c5689641548a2a1e964 [0,1,0,0,0,0|2,0,1]=4 2830 B12R0.233 CCCCNC(=S)NCCC(=O)O c74f60ebc382ffdcb78cc06e0bcc042b [0,1,0,0,0,0|2,0,1]=4 2831 B12R0.233 CCCCOC(=O)CNCC(=O)O 68e3bcf6ae9e6b6f2153181140da15c2 [0,1,0,0,0,0|2,0,1]=4 2832 B12R0.233 CCCCOC(=O)COCC(=O)O 81df919e23e57652cceb95472182a93b [0,1,0,0,0,0|2,0,1]=4 2833 B12R0.233 CCCNCC(=O)NCCC(=O)O 552a54a423bfaa0263c34de20a6b6e77 [0,1,0,0,0,0|2,0,1]=4 2834 B12R0.233 CCCOCC(=O)NCCC(=O)O 43c32442780197b97f2822a8c192de15 [0,1,0,0,0,0|2,0,1]=4 2835 B12R0.233 CCCOCC(C)COCC(=O)N e17f0e91738236153402fe72643141fa [0,1,0,0,0,0|3,0,0]=4 2836 B12R0.233 CCCOCC(C)COCC(=O)O 41043c8c2d8b98d8406d135e3b011ca3 [0,1,0,0,0,0|2,0,0]=3 2837 B12R0.233 CCCOCC(C)OCCC(=O)C e89e395ef7095f352263b526b944fcf7 [0,1,0,0,0,0|3,0,0]=4 2838 B12R0.233 CCCOCC(C)OCCC(=O)N 470a88c2e934396eedc62d846d8be17d [0,1,0,0,0,0|3,0,0]=4 2839 B12R0.233 CCCOCC(C)OCCC(=O)O 42fe51a82c3e81d7c0450103224f95a6 [0,1,0,0,0,0|2,0,0]=3 2840 B12R0.233 CCNCCC(=O)NCCC(=O)O 0b0f780f6159efb5cbb34c9adb1d197d [0,1,0,0,0,0|2,0,1]=4 2841 B12R0.233 CCOCCN(C)CCCC(=O)C 0218b96fb83835f3c0c6632d512c280c [0,1,0,0,0,0|3,0,0]=4 2842 B12R0.233 CCOCCN(C)CCCC(=O)N f94c6bf66c3a3d6fcd3c2a6bce8283d2 [0,1,0,0,0,0|3,0,0]=4 2843 B12R0.233 CCOCCN(C)CCCC(=O)O 6aef330a076b8127b2bd061076bee961 [0,1,0,0,0,0|2,0,0]=3 2844 B12R0.233 CCSCCN(C)CCCC(=O)N 721a0b0f4024b0a68f8735e45f620416 [0,1,0,0,0,0|3,0,0]=4 2845 B12R0.233 CCSCCN(C)CCCC(=O)O 99ac97fe1f8b0a5aefb2c50ef393b86b [0,1,0,0,0,0|2,0,0]=3 2846 B12R0.233 CN(CCCC#N)CCCC(=O)O 68caa4d59454e2c75d87638013981914 [0,1,0,0,0,0|2,0,1]=4 2847 B12R0.233 CN(CCCC=O)CCCC(=O)O 764dff45e55a563c3ec4eeb038047179 [0,1,0,0,0,0|2,0,1]=4 2848 B12R0.233 CN(CCCCF)CCCC(=O)N 04505577b0f1dbcfcec8d9d4f967c507 [0,1,0,0,0,0|3,0,0]=4 2849 B12R0.233 CN(CCCCF)CCCC(=O)O 6b6b4fb5e076a441a787337c7747285e [0,1,0,0,0,0|2,0,0]=3 2850 B12R0.233 CN(CCCCO)CCCC(=O)N 9efa40fce2c0dfdbda556dc53ca0638f [0,1,0,0,0,0|3,0,0]=4 2851 B12R0.233 CN(CCCCO)CCCC(=O)O 96ac4275a14c9fa9ba9151eb09358feb [0,1,0,0,0,0|2,0,0]=3 2852 B12R0.233 COCCCN(C)CCCC(=O)C 477c730d45e00d0c7f055fb2338c7473 [0,1,0,0,0,0|3,0,0]=4 2853 B12R0.233 COCCCN(C)CCCC(=O)N e433b4af87802816cef5d6e42d14485b [0,1,0,0,0,0|3,0,0]=4 2854 B12R0.233 COCCCN(C)CCCC(=O)O 331412dc237aed0ca1f5d8324a6e1830 [0,1,0,0,0,0|2,0,0]=3 2855 B12R0.233 CSCCCN(C)CCCC(=O)N 0d4c4dd31845a79af5ff7f098c14b40e [0,1,0,0,0,0|3,0,0]=4 2856 B12R0.233 CSCCCN(C)CCCC(=O)O 85b53ede0fef6f17191ff6e3331e490d [0,1,0,0,0,0|2,0,0]=3 2857 B12R0.234 C#CCCCCCCNCC(=O)C 4a06d3658fae5d63b59a166b26fbe100 [0,1,0,0,0,0|1,0,2]=4 2858 B12R0.234 C#CCCCCCCNCC(=O)N 5e1bed257a518f0ffe283f893f951c1a [0,1,0,0,0,0|1,0,2]=4 2859 B12R0.234 C#CCCCCCCNCC(=O)O 5a50258750a87b1f5575b4cdb6ea29a1 [0,1,0,0,0,0|0,0,2]=3 2860 B12R0.234 C#CCCCCCCOCC(=O)C 8e623d2af4c4dd7f45e08aa213ae61c5 [0,1,0,0,0,0|1,0,2]=4 2861 B12R0.234 C#CCCCCCCOCC(=O)N 2c8c8e59e56c04bb87ad6a7242755a8b [0,1,0,0,0,0|1,0,2]=4 2862 B12R0.234 C#CCCCCCCOCC(=O)O 7a2facc659c53676683ddfb1bd976299 [0,1,0,0,0,0|0,0,2]=3 2863 B12R0.234 C#CCCCCCCOCS(=O)O 4378d07cdb717caa5f68b082a3f2ae1e [0,1,0,0,0,0|1,0,2]=4 2864 B12R0.234 C#CCCCCCNCCC(=O)C 644615e3d24dc4617eee89aafbeaeeb8 [0,1,0,0,0,0|1,0,2]=4 2865 B12R0.234 C#CCCCCCNCCC(=O)N 7c23bc4bf05cf7c647f0fc7eef7fbc7b [0,1,0,0,0,0|1,0,2]=4 2866 B12R0.234 C#CCCCCCNCCC(=O)O 02fa03dcad7123e61681137bdcd09b14 [0,1,0,0,0,0|0,0,2]=3 2867 B12R0.234 C#CCCCCCNCCS(=O)O 398822caf834f5b9d2e7f23999b47cfe [0,1,0,0,0,0|1,0,2]=4 2868 B12R0.234 C#CCCCCCOCCC(=O)C 174ee5ca4f655a8f107b6952b0177467 [0,1,0,0,0,0|1,0,2]=4 2869 B12R0.234 C#CCCCCCOCCC(=O)N e483bc638f7f963a5322ea5bc16e7316 [0,1,0,0,0,0|1,0,2]=4 2870 B12R0.234 C#CCCCCCOCCC(=O)O f8c2e366579cefca782e412cf39c4c1e [0,1,0,0,0,0|0,0,2]=3 2871 B12R0.234 C#CCCCCNCCCC(=O)C 9fedaea4c44197f558e9aafa99df5b8f [0,1,0,0,0,0|1,0,2]=4 2872 B12R0.234 C#CCCCCNCCCC(=O)N c3512fdc337aae492ec771e49b4b60df [0,1,0,0,0,0|1,0,2]=4 2873 B12R0.234 C#CCCCCNCCCC(=O)O 637cc1e2f09b41d2bf986ab0fcb5d15f [0,1,0,0,0,0|0,0,2]=3 2874 B12R0.234 C#CCCCCOCCCC(=O)C 2492fdea6c3d8993c8d48069080aa19d [0,1,0,0,0,0|1,0,2]=4 2875 B12R0.234 C#CCCCCOCCCC(=O)N 0bf0a5f2639e6fe718ddcbb5158cbc58 [0,1,0,0,0,0|1,0,2]=4 2876 B12R0.234 C#CCCCNCCCCC(=O)C 088f4ff4709a114b1b126d44cd6c4663 [0,1,0,0,0,0|1,0,2]=4 2877 B12R0.234 C#CCCCNCCCCC(=O)N 31c2da1d143ecac35d2fe231ac6b963a [0,1,0,0,0,0|1,0,2]=4 2878 B12R0.234 C#CCCCNCCCCC(=O)O 01a7487d9c72bca4287f868c5b92b622 [0,1,0,0,0,0|0,0,2]=3 2879 B12R0.234 C#CCCCNCCOCC(=O)O e09250c317868712c8f1c6c2b4dac17f [0,1,0,0,0,0|1,0,2]=4 2880 B12R0.234 C#CCCCOCCCCC(=O)C 384aed0d35ad664af75f111d1310a44f [0,1,0,0,0,0|1,0,2]=4 2881 B12R0.234 C#CCCCOCCCCC(=O)N 3a89ac5af424c6e9a4cc7c603fc6e59d [0,1,0,0,0,0|1,0,2]=4 2882 B12R0.234 C#CCCCOCCCCC(=O)O e161a517fb831ca7712181f5c5c5435a [0,1,0,0,0,0|0,0,2]=3 2883 B12R0.234 C#CCCCOCCOCC(=O)O 21ee7c89523e01b239e29dc58bef973c [0,1,0,0,0,0|1,0,2]=4 2884 B12R0.234 C#CCCNCCCCCC(=O)C 88ef886af77240880e672a3d400a09dd [0,1,0,0,0,0|1,0,2]=4 2885 B12R0.234 C#CCCNCCCCCC(=O)N ea0acdfd9f8d945ac42045e323b8579c [0,1,0,0,0,0|1,0,2]=4 2886 B12R0.234 C#CCCNCCCCCC(=O)O 659c5797468b254370fa68b3b534b70f [0,1,0,0,0,0|0,0,2]=3 2887 B12R0.234 C#CCCNCCCOCC(=O)O d0ee4e9c5d68a90995d722ed74bd8b37 [0,1,0,0,0,0|1,0,2]=4 2888 B12R0.234 C#CCCNCCOCCC(=O)O 9fc09938c5019cffc3ff65cfd79e5d4f [0,1,0,0,0,0|1,0,2]=4 2889 B12R0.234 C#CCCOCCCCCC(=O)C f4e536f3b569b0f5e71585f9eeee4e0f [0,1,0,0,0,0|1,0,2]=4 2890 B12R0.234 C#CCCOCCCCCC(=O)N 0d6d3108ed9233a2ae52bd1700ecec7d [0,1,0,0,0,0|1,0,2]=4 2891 B12R0.234 C#CCCOCCCCCC(=O)O c26d9cd46a483d551c16749062405555 [0,1,0,0,0,0|0,0,2]=3 2892 B12R0.234 C#CCCOCCCOCC(=O)O d8b9962336d3ca62616bf433f935a09c [0,1,0,0,0,0|1,0,2]=4 2893 B12R0.234 C#CCCOCCOCCC(=O)O 7ce8d2db33396a3b60da707d50524880 [0,1,0,0,0,0|1,0,2]=4 2894 B12R0.234 C#CCNCCCCCCC(=O)O 4f3e99785aa111c2eb952f922229a4fe [0,1,0,0,0,0|0,0,2]=3 2895 B12R0.234 C#CCOCCCCCCC(=O)N 57f641583125f810394103515b45f205 [0,1,0,0,0,0|1,0,2]=4 2896 B12R0.234 C#CCOCCCCCCC(=O)O b0c860ac0dd2669b795183898998acc9 [0,1,0,0,0,0|0,0,2]=3 2897 B12R0.234 C#CCOCCCOCCC(=O)O 66d0d4c4c3b2ae362809512d01c942bf [0,1,0,0,0,0|1,0,2]=4 2898 B12R0.234 C#CCOCCNCCCC(=O)O e7729b85bf7f8e96defe00ea5cae214a [0,1,0,0,0,0|1,0,2]=4 2899 B12R0.234 C#CCOCCOCCCC(=O)O 38688f12c66ee61ac4df9072f16906c9 [0,1,0,0,0,0|1,0,2]=4 2900 B12R0.234 C/C=C/CCCOCCCC(=O)C 9f12dd0a51a2b14dc134c890bfa4a500 [0,1,0,0,0,0|1,0,2]=4 2901 B12R0.234 C/C=C/CCCOCCCC(=O)N 7f88903330ee98e9c0901019697280a0 [0,1,0,0,0,0|1,0,2]=4 2902 B12R0.234 C/C=C/CCCOCCCC(=O)O f804e3002ff2f360fe38a317b460f99f [0,1,0,0,0,0|0,0,2]=3 2903 B12R0.234 C/C=C/CCOCCCCC(=O)C 981a01368fe8e783341d9cf2cdac2eaa [0,1,0,0,0,0|1,0,2]=4 2904 B12R0.234 C/C=C/CCOCCCCC(=O)N cedac358ad18334dbe0a05d2c5cb8513 [0,1,0,0,0,0|1,0,2]=4 2905 B12R0.234 C/C=C/CCOCCCCC(=O)O 56b79b20bfa02221fb0279a656cb52de [0,1,0,0,0,0|0,0,2]=3 2906 B12R0.234 C/C=C/CCOCCOCC(=O)O 5e435cd320e9f8bf397b034dbc853e85 [0,1,0,0,0,0|1,0,2]=4 2907 B12R0.234 C/C=C/CNCCCCCC(=O)N 0798e65af85064647bc117e58ee6a2fb [0,1,0,0,0,0|1,0,2]=4 2908 B12R0.234 C/C=C/CNCCCCCC(=O)O a6194474dbe5fc7ecf1a12b4194f9a66 [0,1,0,0,0,0|0,0,2]=3 2909 B12R0.234 C/C=C/CNCCOCCC(=O)O 4202489d5ca19166769b8b56cd62ffc3 [0,1,0,0,0,0|1,0,2]=4 2910 B12R0.234 C/C=C/COCCCCCC(=O)C 2b820e0a5d06fc3cf2bf7a6c21507177 [0,1,0,0,0,0|1,0,2]=4 2911 B12R0.234 C/C=C/COCCCCCC(=O)N 3a8b9bd798db438d8a432c17ae2d6d8f [0,1,0,0,0,0|1,0,2]=4 2912 B12R0.234 C/C=C/COCCCCCC(=O)O 34ab03956fcbb0ba7195db1312887ca6 [0,1,0,0,0,0|0,0,2]=3 2913 B12R0.234 C/C=C/COCCCOCC(=O)O 36f832c2407b4471a56f9a3b0669cdce [0,1,0,0,0,0|1,0,2]=4 2914 B12R0.234 C/C=C/COCCOCCC(=O)O 173fb6a1641aab3b2182041a2ca63601 [0,1,0,0,0,0|1,0,2]=4 2915 B12R0.234 C/C=C\CCCNCCCC(=O)N c7841c75b86a4ae04b1608d060ab6971 [0,1,0,0,0,0|1,0,2]=4 2916 B12R0.234 C/C=C\CCCNCCCC(=O)O c983eb4d619cb1ce520c3e38de624b17 [0,1,0,0,0,0|0,0,2]=3 2917 B12R0.234 C/C=C\CCCOCCCC(=O)C b588dafeb9f31b6e578dc29280d06633 [0,1,0,0,0,0|1,0,2]=4 2918 B12R0.234 C/C=C\CCCOCCCC(=O)N a84bf9fad9efd5f02eacc42ff7c3075a [0,1,0,0,0,0|1,0,2]=4 2919 B12R0.234 C/C=C\CCCOCCCC(=O)O 369ec012f996994e31f97312ac91b264 [0,1,0,0,0,0|0,0,2]=3 2920 B12R0.234 C/C=C\CNCCCCCC(=O)N b9ca23ab3a2df088f87b9eeb1c13f4b0 [0,1,0,0,0,0|1,0,2]=4 2921 B12R0.234 C/C=C\CNCCCCCC(=O)O 6282e741b5ebdbdf6c233fb028bf7f41 [0,1,0,0,0,0|0,0,2]=3 2922 B12R0.234 C/C=C\CNCCOCCC(=O)O 025088870621e4a8c8a92d6437d41508 [0,1,0,0,0,0|1,0,2]=4 2923 B12R0.234 C/C=C\COCCCCCC(=O)C 3f92f1f24db2f0f5552aec7bc7c4215b [0,1,0,0,0,0|1,0,2]=4 2924 B12R0.234 C/C=C\COCCCCCC(=O)N 1d63fff3033a4438b36a7df749b5b955 [0,1,0,0,0,0|1,0,2]=4 2925 B12R0.234 C/C=C\COCCCCCC(=O)O 6ea22dd6d0d0819f436fe9dbd365bcbd [0,1,0,0,0,0|0,0,2]=3 2926 B12R0.234 C/C=C\COCCCOCC(=O)O 0fd1f0577a525abc1b766f419b317914 [0,1,0,0,0,0|1,0,2]=4 2927 B12R0.234 C/C=C\COCCOCCC(=O)O 914bd1c7a1e1f3f6f3ee5c131e9ab497 [0,1,0,0,0,0|1,0,2]=4 2928 B12R0.234 C=C(Br)CCOCCCCCCC 74d80b5c1c335a663f70e5d7320df526 [0,1,0,0,0,0|2,0,0]=3 2929 B12R0.234 C=C(Br)CCOCCCCCCF a5b3e77a4631f5b942542be0db905eb7 [0,1,0,0,0,0|3,0,0]=4 2930 B12R0.234 C=C(Br)CCOCCCCCOC 8e21b5f78494e1df3df093b7d092c472 [0,1,0,0,0,0|3,0,0]=4 2931 B12R0.234 C=C(Br)CCOCCCOCCC 16bdd4c0caa681d0fd65758b22d52ef8 [0,1,0,0,0,0|3,0,0]=4 2932 B12R0.234 C=C(Br)CCOCCOCCCC eb51f2d304742fa1aea011f571ea6ba0 [0,1,0,0,0,0|3,0,0]=4 2933 B12R0.234 C=C(Br)CNCCCCCCCC dc03bec9e0f362affb1e864ac30f7234 [0,1,0,0,0,0|2,0,0]=3 2934 B12R0.234 C=C(Br)CNCCCCCCCO e609859436fb9caa441ee92d33447e15 [0,1,0,0,0,0|3,0,0]=4 2935 B12R0.234 C=C(Br)CNCCCCCCOC cc74798a8fd20d226f4c48cb052f905c [0,1,0,0,0,0|3,0,0]=4 2936 B12R0.234 C=C(Br)CNCCCCSCCC 198784eb3adb937ceb33d00ff49dfc58 [0,1,0,0,0,0|3,0,0]=4 2937 B12R0.234 C=C(Br)CNCCCOCCCC dc5bf3c80ac1dca19b241c6f2579cb4b [0,1,0,0,0,0|3,0,0]=4 2938 B12R0.234 C=C(Br)COCCCCCCCC 6c22a447435c9f04bb6889584b6755b4 [0,1,0,0,0,0|2,0,0]=3 2939 B12R0.234 C=C(Br)COCCCCCCOC 4ff84b7d3ec2a726eebe6325c76a2c34 [0,1,0,0,0,0|3,0,0]=4 2940 B12R0.234 C=C(Br)COCCCOCCCC 78b80be086cd09eaf46819f1cac96dd1 [0,1,0,0,0,0|3,0,0]=4 2941 B12R0.234 C=C(Br)COCCOCCCCC 72126a2a4ebe1f9a831b932f9029ac2a [0,1,0,0,0,0|3,0,0]=4 2942 B12R0.234 C=C(C)CCCNCCCCCC 8ae0efcd0765890e2521ed35ef58bd9d [0,1,0,0,0,0|2,0,0]=3 2943 B12R0.234 C=C(C)CCCNCCCCCCl a42711ddd0ac56fbb7f15dbf530e6926 [0,1,0,0,0,0|3,0,0]=4 2944 B12R0.234 C=C(C)CCCNCCCCCO fc575e6a1a717287924c349d8d9bf2ce [0,1,0,0,0,0|3,0,0]=4 2945 B12R0.234 C=C(C)CCCNCCCCOC 9495540fe50a0ec62c70cb496fcfd128 [0,1,0,0,0,0|3,0,0]=4 2946 B12R0.234 C=C(C)CCCNCCCCSC 2c36f635601fb88b7123317af9f134f9 [0,1,0,0,0,0|3,0,0]=4 2947 B12R0.234 C=C(C)CCCNCCCOCC 2e4ce68828dac6a69f05af8dd11bc9e0 [0,1,0,0,0,0|3,0,0]=4 2948 B12R0.234 C=C(C)CCCNCCOCCC 28ed03eefc3fc0767d56441e7a58ab15 [0,1,0,0,0,0|3,0,0]=4 2949 B12R0.234 C=C(C)CCCOCCCCCC f4d5d0352ee959cf2fa52225d2343af1 [0,1,0,0,0,0|2,0,0]=3 2950 B12R0.234 C=C(C)CCCOCCCCCF 34cf4f0a3eedf18b355cc7f5b4b0ddca [0,1,0,0,0,0|3,0,0]=4 2951 B12R0.234 C=C(C)CCCOCCCCOC 37694e40f9a2c6cd19949963d2750b85 [0,1,0,0,0,0|3,0,0]=4 2952 B12R0.234 C=C(C)CCCOCCCCSC 8ffc2f3b92d802b43644b5c02e092bec [0,1,0,0,0,0|3,0,0]=4 2953 B12R0.234 C=C(C)CCCOCCCOCC 13ca71e58d94b97bcd81b46ef2eee1e2 [0,1,0,0,0,0|3,0,0]=4 2954 B12R0.234 C=C(C)CCCOCCCSCC d682060df7062782e1b9eaa20feca870 [0,1,0,0,0,0|3,0,0]=4 2955 B12R0.234 C=C(C)CCCOCCOCCC 2032f01f1290eeb552019c23b98c9ce8 [0,1,0,0,0,0|3,0,0]=4 2956 B12R0.234 C=C(C)CCCOCCSCCC cae8a9860661983e7fb56b27b34c314b [0,1,0,0,0,0|3,0,0]=4 2957 B12R0.234 C=C(C)CCCOCOCCCC 410300b57d21c29c5638d9cd8ad55160 [0,1,0,0,0,0|3,0,0]=4 2958 B12R0.234 C=C(C)CCNCCCCCCC cb2aae2273742d24be02118e1ddadaac [0,1,0,0,0,0|2,0,0]=3 2959 B12R0.234 C=C(C)CCNCCCCCCCl d78043b91301b444b2bd3c508f299a1e [0,1,0,0,0,0|3,0,0]=4 2960 B12R0.234 C=C(C)CCNCCCCCCF a9ee80d235340921ce3e808f17fcf0fc [0,1,0,0,0,0|3,0,0]=4 2961 B12R0.234 C=C(C)CCNCCCCCCO f75ba4be69b8cecbd67b0143ccc8c9da [0,1,0,0,0,0|3,0,0]=4 2962 B12R0.234 C=C(C)CCNCCCCCOC 78b259aadad24074120a19cb5f753997 [0,1,0,0,0,0|3,0,0]=4 2963 B12R0.234 C=C(C)CCNCCCCSCC b319531c3e231daa9b4c3a610a3ff9a1 [0,1,0,0,0,0|3,0,0]=4 2964 B12R0.234 C=C(C)CCNCCCOCCC 788761da8b8467d2649b93d3fb8f5557 [0,1,0,0,0,0|3,0,0]=4 2965 B12R0.234 C=C(C)CCNCCOCCCC 0f2197d627d8a53e7d0c0224d4d7f881 [0,1,0,0,0,0|3,0,0]=4 2966 B12R0.234 C=C(C)CCOCCCCCCC b89ebde0e7cf357685280f1ca91d61e8 [0,1,0,0,0,0|2,0,0]=3 2967 B12R0.234 C=C(C)CCOCCCCCCF f81773ae0769add39552c750d3e085af [0,1,0,0,0,0|3,0,0]=4 2968 B12R0.234 C=C(C)CCOCCCCCCS 68916abd6bbb749edf31a20af6341288 [0,1,0,0,0,0|3,0,0]=4 2969 B12R0.234 C=C(C)CCOCCCCCOC f44207677c346b04edc47c50d5c4ccb5 [0,1,0,0,0,0|3,0,0]=4 2970 B12R0.234 C=C(C)CCOCCCOCCC f3368023f82d38ef8e99e9b2bd900bb3 [0,1,0,0,0,0|3,0,0]=4 2971 B12R0.234 C=C(C)CCOCCOCCCC 9377ed0242ecd26e30dfbde708611592 [0,1,0,0,0,0|3,0,0]=4 2972 B12R0.234 C=C(C)CCOCCSCCCC 5c013f87eea7e3ffb3baf987f277b5f7 [0,1,0,0,0,0|3,0,0]=4 2973 B12R0.234 C=C(C)CNCCCCCCCC 6df9dadc40f8b0eee0cffd4163032d54 [0,1,0,0,0,0|2,0,0]=3 2974 B12R0.234 C=C(C)CNCCCCCCCO 2eaa37ad2d398d6b19e200cc1172ef2c [0,1,0,0,0,0|3,0,0]=4 2975 B12R0.234 C=C(C)CNCCCCCCOC 472ad36ca7effda2f5978d30ccc62080 [0,1,0,0,0,0|3,0,0]=4 2976 B12R0.234 C=C(C)CNCCCCSCCC a69768bd80c2e748d470465b1aae34cc [0,1,0,0,0,0|3,0,0]=4 2977 B12R0.234 C=C(C)CNCCCOCCCC f2de8d0ceac7e1d62e657ef1d13cbef5 [0,1,0,0,0,0|3,0,0]=4 2978 B12R0.234 C=C(C)COCCCCCCCC e0ef7dd9e410d0fdc66f4c0d6fa8a0aa [0,1,0,0,0,0|2,0,0]=3 2979 B12R0.234 C=C(C)COCCCCCCOC a433b07c1bedb280f140447a94d46d34 [0,1,0,0,0,0|3,0,0]=4 2980 B12R0.234 C=C(C)COCCCOCCCC a1c3a3b3e22c06436716b2ced95073b7 [0,1,0,0,0,0|3,0,0]=4 2981 B12R0.234 C=C(C)COCCOCCCCC a6ec0ce2f0929de059881ce092b14a69 [0,1,0,0,0,0|3,0,0]=4 2982 B12R0.234 C=C(Cl)CNCCCCCCCC 454aa413a1b61d85320a8fde005a572c [0,1,0,0,0,0|2,0,0]=3 2983 B12R0.234 C=C(Cl)CNCCCCCCCO 8b3f14cc0322198ab6ec8694610412fe [0,1,0,0,0,0|3,0,0]=4 2984 B12R0.234 C=C(Cl)CNCCCCSCCC 987a0fc75e1ddb5396f46b3c95e1a670 [0,1,0,0,0,0|3,0,0]=4 2985 B12R0.234 C=C(Cl)CNCCCOCCCC bbaff6dc28c7826b4dcbedb51121e539 [0,1,0,0,0,0|3,0,0]=4 2986 B12R0.234 C=C(Cl)COCCCCCCCC 52895a572e60f59a2c7379bf01dc2e6c [0,1,0,0,0,0|2,0,0]=3 2987 B12R0.234 C=C(Cl)COCCCCCCOC 9e12446c4b8b8a192413185962b5ec60 [0,1,0,0,0,0|3,0,0]=4 2988 B12R0.234 C=C(Cl)COCCCOCCCC 495bff2408f712334b226ddd4b3e7506 [0,1,0,0,0,0|3,0,0]=4 2989 B12R0.234 C=C(Cl)COCCOCCCCC cc27968e486d1c6d233151b1023bbb6d [0,1,0,0,0,0|3,0,0]=4 2990 B12R0.234 C=C(F)CNCCCCCCCC dd7b7820ed52d01ac8a5ca049ed88420 [0,1,0,0,0,0|2,0,0]=3 2991 B12R0.234 C=C(F)CNCCCCCCCO 0edca284e8e7be0b958e31d151ec2ade [0,1,0,0,0,0|3,0,0]=4 2992 B12R0.234 C=C(F)CNCCCOCCCC d25fc0e757f2e0e3ae78bbdcaae1ac16 [0,1,0,0,0,0|3,0,0]=4 2993 B12R0.234 C=C(F)COCCCCCCCC cc83be2bbbb64d14a3fe8f3ce62c23af [0,1,0,0,0,0|2,0,0]=3 2994 B12R0.234 C=C(F)COCCCCCCOC e205a543cedd74258eed1fb9eea09ecf [0,1,0,0,0,0|3,0,0]=4 2995 B12R0.234 C=C(F)COCCCOCCCC 76be2ac93d200bc555f7b038201c5976 [0,1,0,0,0,0|3,0,0]=4 2996 B12R0.234 C=C(F)COCCOCCCCC 368e92e5c499aeb60adc5ab9817b327e [0,1,0,0,0,0|3,0,0]=4 2997 B12R0.234 C=C(I)COCCCCCCCC 6fe868b21ddd4957edcac5eaccbe8475 [0,1,0,0,0,0|2,0,0]=3 2998 B12R0.234 C=C(I)COCCCCCCOC 0005662b2b46532b2caea295b2f074e9 [0,1,0,0,0,0|3,0,0]=4 2999 B12R0.234 C=C=CCCOCCCCC(=O)O d71de521a313033dc1f3006ba721de47 [0,1,0,0,0,0|0,0,3]=4 3000 B12R0.234 C=CCCCCCCNCC(=O)C ccf3011da7bfeee2da630d12d508b278 [0,1,0,0,0,0|1,0,2]=4 3001 B12R0.234 C=CCCCCCCNCC(=O)N ed7fcc7f0390eef1fe2018efed029c02 [0,1,0,0,0,0|1,0,2]=4 3002 B12R0.234 C=CCCCCCCNCC(=O)O c6215deee1bb49d247b7c41bf8a90475 [0,1,0,0,0,0|0,0,2]=3 3003 B12R0.234 C=CCCCCCCOCC(=O)C f85eb304645f0272519fa3e2a428f491 [0,1,0,0,0,0|1,0,2]=4 3004 B12R0.234 C=CCCCCCCOCC(=O)N cd4c79ba0301e598367fd32f12381cc9 [0,1,0,0,0,0|1,0,2]=4 3005 B12R0.234 C=CCCCCCCOCC(=O)O 07ecee8535ead1b6006b030578b44313 [0,1,0,0,0,0|0,0,2]=3 3006 B12R0.234 C=CCCCCCCOCS(=O)O 46ca9c8567f23f5fa84893f044418072 [0,1,0,0,0,0|1,0,2]=4 3007 B12R0.234 C=CCCCCCNCCC(=O)C 532d918b2850d97488175c956f9b3fe7 [0,1,0,0,0,0|1,0,2]=4 3008 B12R0.234 C=CCCCCCNCCC(=O)N 8782447319405369542d518ccf9c1c2e [0,1,0,0,0,0|1,0,2]=4 3009 B12R0.234 C=CCCCCCNCCC(=O)O d8d722c4901b33452e56ec25a4d3267e [0,1,0,0,0,0|0,0,2]=3 3010 B12R0.234 C=CCCCCCNCCS(=O)O 52612a88a28498c94ae4fb61e29e8f1d [0,1,0,0,0,0|1,0,2]=4 3011 B12R0.234 C=CCCCCCOCCC(=O)C 8b58280b5132ff949f417d026c3bcf16 [0,1,0,0,0,0|1,0,2]=4 3012 B12R0.234 C=CCCCCCOCCC(=O)N bc3b081db9f1fcf925bb4546d2f9a44a [0,1,0,0,0,0|1,0,2]=4 3013 B12R0.234 C=CCCCCCOCCC(=O)O d95bb7e052d8d80a4d7943942946a737 [0,1,0,0,0,0|0,0,2]=3 3014 B12R0.234 C=CCCCCNCCCC(=O)C 412e3d17fc39f61d153bf0f26c68754b [0,1,0,0,0,0|1,0,2]=4 3015 B12R0.234 C=CCCCCNCCCC(=O)N 8bf4a49b21904fa7b80de9718336fe0c [0,1,0,0,0,0|1,0,2]=4 3016 B12R0.234 C=CCCCCNCCCC(=O)O 6ba1109bc9abb9173e0e2923dcac644f [0,1,0,0,0,0|0,0,2]=3 3017 B12R0.234 C=CCCCCOCCCC(=O)C c12520f5c77e03d47ff13104e4239b23 [0,1,0,0,0,0|1,0,2]=4 3018 B12R0.234 C=CCCCCOCCCC(=O)N 90730f41d56c4631dd17375a5b2a9a7b [0,1,0,0,0,0|1,0,2]=4 3019 B12R0.234 C=CCCCCOCCCC(=O)O a43657dac498876cb96860b62a6c0cc2 [0,1,0,0,0,0|0,0,2]=3 3020 B12R0.234 C=CCCCNCCCCC(=O)C 369d8c68d09338e373ee17bcd7874bd9 [0,1,0,0,0,0|1,0,2]=4 3021 B12R0.234 C=CCCCNCCCCC(=O)N b41f03fc6ef5317f5a000fa18488dcf9 [0,1,0,0,0,0|1,0,2]=4 3022 B12R0.234 C=CCCCNCCCCC(=O)O 52f7f78bd83d108bd973653fb2a85d69 [0,1,0,0,0,0|0,0,2]=3 3023 B12R0.234 C=CCCCNCCOCC(=O)O 5513974772c4582a2f8fb7ec6ce80384 [0,1,0,0,0,0|1,0,2]=4 3024 B12R0.234 C=CCCCNCCSCC(=O)O 9ef3dade6e86ab6c4da89884102904d1 [0,1,0,0,0,0|1,0,2]=4 3025 B12R0.234 C=CCCCOCCCCC(=O)C 56f4a00516b4d8a6d9a553e42caf5b8e [0,1,0,0,0,0|1,0,2]=4 3026 B12R0.234 C=CCCCOCCCCC(=O)N 084f42b41a46fe008965965c687f42e7 [0,1,0,0,0,0|1,0,2]=4 3027 B12R0.234 C=CCCCOCCCCC(=O)O 65dcc61ecba60d9c5ac73314791b4f83 [0,1,0,0,0,0|0,0,2]=3 3028 B12R0.234 C=CCCCOCCOCC(=O)O c3bb5a27bfe2270d589143d812961b90 [0,1,0,0,0,0|1,0,2]=4 3029 B12R0.234 C=CCCNCCCCCC(=O)C 47fda6c6f6bdb4e9d2129c824e72994c [0,1,0,0,0,0|1,0,2]=4 3030 B12R0.234 C=CCCNCCCCCC(=O)N 61b4d8c5503c8c1c8341b2d89a792008 [0,1,0,0,0,0|1,0,2]=4 3031 B12R0.234 C=CCCNCCCCCC(=O)O 4237c77165ae66df7d7aff2ab949dab2 [0,1,0,0,0,0|0,0,2]=3 3032 B12R0.234 C=CCCNCCCOCC(=O)O f222e0136be89851e2ea8a76d1eac564 [0,1,0,0,0,0|1,0,2]=4 3033 B12R0.234 C=CCCNCCOCCC(=O)O 06bff322563de274f191bcc8a3f3cfb3 [0,1,0,0,0,0|1,0,2]=4 3034 B12R0.234 C=CCCOCCCCCC(=O)C fed730609038cca4b91e741427488402 [0,1,0,0,0,0|1,0,2]=4 3035 B12R0.234 C=CCCOCCCCCC(=O)N 8387d4f6c9daa9c4f45e8d0d93394a2c [0,1,0,0,0,0|1,0,2]=4 3036 B12R0.234 C=CCCOCCCCCC(=O)O e028b35c06c71ddf8c7ae7ab188dbe20 [0,1,0,0,0,0|0,0,2]=3 3037 B12R0.234 C=CCCOCCCOCC(=O)O bc773080251954c43f6c95d7fec9afbd [0,1,0,0,0,0|1,0,2]=4 3038 B12R0.234 C=CCCOCCOCCC(=O)O 98fe3caa0d95a217252700dbadff6719 [0,1,0,0,0,0|1,0,2]=4 3039 B12R0.234 C=CCNCCCCCCC(=O)O a661fbde46e64120534ed2415e645826 [0,1,0,0,0,0|0,0,2]=3 3040 B12R0.234 C=CCOCCCCCCC(=O)N d5366d17ad17b5c497622228c6fbf1f5 [0,1,0,0,0,0|1,0,2]=4 3041 B12R0.234 C=CCOCCCCCCC(=O)O f192cd7ed4d95fab5c1752169f3ee8eb [0,1,0,0,0,0|0,0,2]=3 3042 B12R0.234 C=CCOCCNCCCC(=O)O 63af6b9a59adfc1e1a0d86f67a090436 [0,1,0,0,0,0|1,0,2]=4 3043 B12R0.234 C=CCOCCOCCCC(=O)O f1f8292f7b469955137058bfd84d4614 [0,1,0,0,0,0|1,0,2]=4 3044 B12R0.234 C=COCCCCOCCC(=O)O e1fa7ecc76b86e1928a47d9c1a318661 [0,1,0,0,0,0|1,0,2]=4 3045 B12R0.234 C=COCCNCCCCC(=O)O a3582b72696468bad7eeda518224ef9b [0,1,0,0,0,0|1,0,2]=4 3046 B12R0.234 C=COCCOCCCCC(=O)O e571bc7de021e89c06092f9eca213c3f [0,1,0,0,0,0|1,0,2]=4 3047 B12R0.234 CC#CCCCOCCCC(=O)C 5b8d21c5ccf53c71e5d4b343404a4483 [0,1,0,0,0,0|1,0,2]=4 3048 B12R0.234 CC#CCCCOCCCC(=O)N b5f319c6b021775390f27ca00db439ba [0,1,0,0,0,0|1,0,2]=4 3049 B12R0.234 CC#CCCCOCCCC(=O)O bf816e4e198df0afd7e3aed9ef1c6fde [0,1,0,0,0,0|0,0,2]=3 3050 B12R0.234 CC#CCCOCCCCC(=O)C 672cd0ebc9917a983c0920e8d6694754 [0,1,0,0,0,0|1,0,2]=4 3051 B12R0.234 CC#CCCOCCCCC(=O)N 38bb99f74946be0aaac0d2b1b60c5cba [0,1,0,0,0,0|1,0,2]=4 3052 B12R0.234 CC#CCCOCCCCC(=O)O 9a9aec0a6b638d31b610fb9ae40a5406 [0,1,0,0,0,0|0,0,2]=3 3053 B12R0.234 CC#CCCOCCOCC(=O)O c938431cd180748cabcb3678e315b175 [0,1,0,0,0,0|1,0,2]=4 3054 B12R0.234 CC#CCNCCCCCC(=O)C 62b68d41fa49bad109c9a69664f0c128 [0,1,0,0,0,0|1,0,2]=4 3055 B12R0.234 CC#CCNCCCCCC(=O)N 6d152cf8b7aba604ea8f7d7845f1c552 [0,1,0,0,0,0|1,0,2]=4 3056 B12R0.234 CC#CCNCCCOCC(=O)O cd4e354f08edb768bb4c2e0ce6cc9732 [0,1,0,0,0,0|1,0,2]=4 3057 B12R0.234 CC#CCNCCOCCC(=O)O 265f97b7ead5cf0809d5b57f703c0156 [0,1,0,0,0,0|1,0,2]=4 3058 B12R0.234 CC#CCOCCCCCC(=O)C 0d8b82170650596d291ef0a1ffdfb85f [0,1,0,0,0,0|1,0,2]=4 3059 B12R0.234 CC#CCOCCCCCC(=O)N dc93dd60bc6962a4ca8dc0c233eeee86 [0,1,0,0,0,0|1,0,2]=4 3060 B12R0.234 CC#CCOCCCOCC(=O)O a86285e92a6f7b93b07967bdfc6e0027 [0,1,0,0,0,0|1,0,2]=4 3061 B12R0.234 CC#CCOCCOCCC(=O)O a4db8e86a94530d2b15275c1b30058c0 [0,1,0,0,0,0|1,0,2]=4 3062 B12R0.234 CC(=O)CCCCCCCOCF 400628823d7e12e9c1d4d620949a9c16 [0,1,0,0,0,0|2,0,0]=3 3063 B12R0.234 CC(=O)CCCCCNCCC#N 0fbc2a18dd40d7e6a631ee6e6fb3f737 [0,1,0,0,0,0|2,0,1]=4 3064 B12R0.234 CC(=O)CCCCCNCCCCl 9900220f01677152aba4e3e2be184192 [0,1,0,0,0,0|2,0,0]=3 3065 B12R0.234 CC(=O)CCCCCNCCCO 0fa3e24d1a28ada7a04811b29c7c0297 [0,1,0,0,0,0|2,0,0]=3 3066 B12R0.234 CC(=O)CCCCCNCCON 49bdb1d8aa466c70cdd80c17d398a4b4 [0,1,0,0,0,0|3,0,0]=4 3067 B12R0.234 CC(=O)CCCCCOCCC#N 838ff0778928d8afcef51a01a7106041 [0,1,0,0,0,0|2,0,1]=4 3068 B12R0.234 CC(=O)CCCCCOCCC=O 0299c7a84fd7e27f4198deac07edcedf [0,1,0,0,0,0|2,0,1]=4 3069 B12R0.234 CC(=O)CCCCCOCCCF aea5617ec8d11b226901e62fa772bfb5 [0,1,0,0,0,0|2,0,0]=3 3070 B12R0.234 CC(=O)CCCCCOCCCS adb0a1cbbbe885195480894115f237b3 [0,1,0,0,0,0|2,0,0]=3 3071 B12R0.234 CC(=O)CCCCNCCCC#N 5c4adcbba184a769e84237eff912da02 [0,1,0,0,0,0|2,0,1]=4 3072 B12R0.234 CC(=O)CCCCNCCCCCl 6a5b6c28d5acc9a7cea35bbb482ffe5f [0,1,0,0,0,0|2,0,0]=3 3073 B12R0.234 CC(=O)CCCCNCCCCO e13aaafff6bf678a31c0d746365aac47 [0,1,0,0,0,0|2,0,0]=3 3074 B12R0.234 CC(=O)CCCCNCCCCS b7e95352f9d624897b4fceefaf09bdf1 [0,1,0,0,0,0|2,0,0]=3 3075 B12R0.234 CC(=O)CCCCOCCCC#N b7ca9e2602d8d9e3bf14c4e35943850c [0,1,0,0,0,0|2,0,1]=4 3076 B12R0.234 CC(=O)CCCCOCCCC=O 53d7c54e1bb55fa43e86eb862d3d798c [0,1,0,0,0,0|2,0,1]=4 3077 B12R0.234 CC(=O)CCCCOCCCCF 7abba6153d13b440bd25e9931a8a92e4 [0,1,0,0,0,0|2,0,0]=3 3078 B12R0.234 CC(=O)CCCCOCCCCS 72bd4739b616c34b3e153f9a5c4facf6 [0,1,0,0,0,0|2,0,0]=3 3079 B12R0.234 CC(=O)CCCNCCCCC#N 8f157d90ba13f123b695b367c7eff945 [0,1,0,0,0,0|2,0,1]=4 3080 B12R0.234 CC(=O)CCCNCCCCCCl 5c10b1a5408326b2f4b5cbe2c76de09a [0,1,0,0,0,0|2,0,0]=3 3081 B12R0.234 CC(=O)CCCNCCCCCO 6fba6a16fd8f66b73fe1f33f598e9401 [0,1,0,0,0,0|2,0,0]=3 3082 B12R0.234 CC(=O)CCCNCCOCCO 3c14327a5254d09ad3eaf62713e97c95 [0,1,0,0,0,0|3,0,0]=4 3083 B12R0.234 CC(=O)CCCNCCOCCS ef3868384b295dd839c6d10a781be4fd [0,1,0,0,0,0|3,0,0]=4 3084 B12R0.234 CC(=O)CCCNCCSCCO a44f8072b8fbb1116873f59f90a14762 [0,1,0,0,0,0|3,0,0]=4 3085 B12R0.234 CC(=O)CCCOCCCCC#N daefeeacfa15a9704cc2011a8254650d [0,1,0,0,0,0|2,0,1]=4 3086 B12R0.234 CC(=O)CCCOCCCCC=O 3b30e4d615788124f8df5b67435d24c8 [0,1,0,0,0,0|2,0,1]=4 3087 B12R0.234 CC(=O)CCCOCCCCCF 948a14f4abeb64192d4a0cafc1fa2d97 [0,1,0,0,0,0|2,0,0]=3 3088 B12R0.234 CC(=O)CCCOCCOCCF dfc7cfa2a5a3ce2f77d44ad4cac547ad [0,1,0,0,0,0|3,0,0]=4 3089 B12R0.234 CC(=O)CCCOCCOCCS 089015d51403342ebbaadcc6f32af4d5 [0,1,0,0,0,0|3,0,0]=4 3090 B12R0.234 CC(=O)CCNCCCCCC#N 77207a059b1ee6b346f6f2aca7228363 [0,1,0,0,0,0|2,0,1]=4 3091 B12R0.234 CC(=O)CCNCCCCCCCl ed7c6f69bc5ce4bdf786a074cfcd7c53 [0,1,0,0,0,0|2,0,0]=3 3092 B12R0.234 CC(=O)CCNCCCCCCO 7c130cbff3370a27029dc6e903187019 [0,1,0,0,0,0|2,0,0]=3 3093 B12R0.234 CC(=O)CCNCCCOCCO f85dfdf74b388cf5133108a02bcdcbf4 [0,1,0,0,0,0|3,0,0]=4 3094 B12R0.234 CC(=O)CCNCCOCCCO 68b2146ca9b116194f2e4b87a5fbe028 [0,1,0,0,0,0|3,0,0]=4 3095 B12R0.234 CC(=O)CCOCCCCCC#N 566e93ad6011ef88458fee842c77e2f4 [0,1,0,0,0,0|2,0,1]=4 3096 B12R0.234 CC(=O)CCOCCCCCC=O fb5708b3f4ac726e9386216c60be29ce [0,1,0,0,0,0|2,0,1]=4 3097 B12R0.234 CC(=O)CCOCCCCCCF 28063f4a6422021ba2cbada32ed5cde6 [0,1,0,0,0,0|2,0,0]=3 3098 B12R0.234 CC(=O)CCOCCCCCCS 0faaaa381a23e28fc4abf5b19b60eb96 [0,1,0,0,0,0|2,0,0]=3 3099 B12R0.234 CC(=O)CNCCCCCCC#N 27e14206287e877ad69014eb60746ed7 [0,1,0,0,0,0|2,0,1]=4 3100 B12R0.234 CC(=O)CNCCCCCCC=O 1cbd6dfb4e1339d118f969adcc959958 [0,1,0,0,0,0|2,0,1]=4 3101 B12R0.234 CC(=O)CNCCCCCCCO 13fac42ea1ea988c86c9b914788f7b4c [0,1,0,0,0,0|2,0,0]=3 3102 B12R0.234 CC(=O)CNCCCOCCCO c6c0aba06efed8902fa882b45be2e09f [0,1,0,0,0,0|3,0,0]=4 3103 B12R0.234 CC(=O)COCCCCCCC#N c53037bd52f3ae30c0ab0750b6885e93 [0,1,0,0,0,0|2,0,1]=4 3104 B12R0.234 CC(=O)COCCCCCCC=O ce1f1b2af291e058492b874c0586b9d3 [0,1,0,0,0,0|2,0,1]=4 3105 B12R0.234 CC(=O)NCCCCCCCCO 222dd7e9addab226a527d7b85d33bea7 [0,1,0,0,0,0|2,0,0]=3 3106 B12R0.234 CC(=O)NCCCCCCNCF 077f2c90511404ff699513359d367de9 [0,1,0,0,0,0|3,0,0]=4 3107 B12R0.234 CC(=O)NCCCCCCNCO cc9f80da744e86f77fce80a65c1a5849 [0,1,0,0,0,0|3,0,0]=4 3108 B12R0.234 CC(=O)NCCCCCNCCF 1435caa4a342983cf36cb7e66faa3b52 [0,1,0,0,0,0|3,0,0]=4 3109 B12R0.234 CC(=O)NCCCCCNCCO 5e6d8c238d6f7853fc2485596797fbcf [0,1,0,0,0,0|3,0,0]=4 3110 B12R0.234 CC(=O)NCCCCCNCCS 9f01325fbedee6839d55aaf5a23a8d54 [0,1,0,0,0,0|3,0,0]=4 3111 B12R0.234 CC(=O)NCCCCNCCCF 9870b2cf8dd4f815f9e23c9d82e2ef7a [0,1,0,0,0,0|3,0,0]=4 3112 B12R0.234 CC(=O)NCCCCNCCCO 1a6375ef1bcbb1dd714ba88be4007726 [0,1,0,0,0,0|3,0,0]=4 3113 B12R0.234 CC(=O)NCCCCNCCCS 40ca2dfe0900566bbc335b5c5ed532b0 [0,1,0,0,0,0|3,0,0]=4 3114 B12R0.234 CC(=O)NCCCNCCCCCl 7d409b972bc343193e78b9251d57b46b [0,1,0,0,0,0|3,0,0]=4 3115 B12R0.234 CC(=O)NCCCNCCCCF a5a1969fa4267d8795c6d502a18d3bc2 [0,1,0,0,0,0|3,0,0]=4 3116 B12R0.234 CC(=O)NCCCNCCCCO 7778e94361bd0ac37da386f91b9dcdd0 [0,1,0,0,0,0|3,0,0]=4 3117 B12R0.234 CC(=O)NCCCNCCCCS 6339610329ce70c9297a1216397b1dc5 [0,1,0,0,0,0|3,0,0]=4 3118 B12R0.234 CC(=O)NCCCOCCCCF 8dc59e1494d6c592fa2da74749049546 [0,1,0,0,0,0|3,0,0]=4 3119 B12R0.234 CC(=O)NCCCOCCCCS c4bd64211a397a06a5488acc15e7f5a8 [0,1,0,0,0,0|3,0,0]=4 3120 B12R0.234 CC(=O)NCCNCCCCCCl b249d9a5c592baafc0857ad989496ddd [0,1,0,0,0,0|3,0,0]=4 3121 B12R0.234 CC(=O)NCCNCCCCCF 8c20e57afb42f9f20dba1059ff6750e9 [0,1,0,0,0,0|3,0,0]=4 3122 B12R0.234 CC(=O)NCCNCCCCCO f123afbadf1ab9544a0e9ce3b3a55c32 [0,1,0,0,0,0|3,0,0]=4 3123 B12R0.234 CC(=O)NCCOCCCCCF 4f2c89cee2da4f87a103c1cee9780d7b [0,1,0,0,0,0|3,0,0]=4 3124 B12R0.234 CC(=O)NCOCCCCCCF 3e5f6f1260bbe9daee9517139de75a80 [0,1,0,0,0,0|3,0,0]=4 3125 B12R0.234 CC(=O)OCCCCCNCCBr 1e96148e6091e83ac67e3289c297d458 [0,1,0,0,0,0|3,0,0]=4 3126 B12R0.234 CC(=O)OCCCCCNCCF ea2743396312c5ecfad961de96a7301c [0,1,0,0,0,0|3,0,0]=4 3127 B12R0.234 CC(=O)OCCCCCNCCI 9b9e1d8f3fe8db1fb1e80ee38a90f743 [0,1,0,0,0,0|3,0,0]=4 3128 B12R0.234 CC(=O)OCCCCCNCCO a34762724d55fb3b1dee4fde93767413 [0,1,0,0,0,0|3,0,0]=4 3129 B12R0.234 CC(=O)OCCCCCNCCS d367e176581ad198995c851d78917318 [0,1,0,0,0,0|3,0,0]=4 3130 B12R0.234 CC(=O)OCCCCCOCCF c5398ce4648038a18bd22121975b053c [0,1,0,0,0,0|3,0,0]=4 3131 B12R0.234 CC(=O)OCCCCCOCCS dc44d4e623700c897c8496fdfb6a0788 [0,1,0,0,0,0|3,0,0]=4 3132 B12R0.234 CC(=O)OCCCCNCCCCl 9a076ae519c6a6f2b7e48ff982ad776b [0,1,0,0,0,0|3,0,0]=4 3133 B12R0.234 CC(=O)OCCCCNCCCO 24b34efac3c4484376e206f317abf4e2 [0,1,0,0,0,0|3,0,0]=4 3134 B12R0.234 CC(=O)OCCCCOCCCF f31ca1cf6b1e7b600cb5f6a368ab3f2f [0,1,0,0,0,0|3,0,0]=4 3135 B12R0.234 CC(=O)OCCCCOCCCS 728c811f0489572a26b30537efbebc93 [0,1,0,0,0,0|3,0,0]=4 3136 B12R0.234 CC(=O)OCCCNCCCCCl e60fe5f41fd7eeebb48a0b2abb672dae [0,1,0,0,0,0|3,0,0]=4 3137 B12R0.234 CC(=O)OCCCNCCCCO 0840cb0ecf6ff0f9e6a804c824162624 [0,1,0,0,0,0|3,0,0]=4 3138 B12R0.234 CC(=O)OCCCNCCCCS 4eb288a6ba810a951f0434adcd4bf40d [0,1,0,0,0,0|3,0,0]=4 3139 B12R0.234 CC(=O)OCCCOCCCCF 021943cf97d088f721202740816df946 [0,1,0,0,0,0|3,0,0]=4 3140 B12R0.234 CC(=O)OCCCOCCCCS 1fe0078d90c72bfd356625960efed2b2 [0,1,0,0,0,0|3,0,0]=4 3141 B12R0.234 CC(=O)OCCNCCCCCCl 1aa07a0774e1c57e1dd675a1e6ac406c [0,1,0,0,0,0|3,0,0]=4 3142 B12R0.234 CC(=O)OCCNCCCCCO 363811fa88d3b73c9d33ae80b01cc78c [0,1,0,0,0,0|3,0,0]=4 3143 B12R0.234 CC(=O)OCCOCCCCCF a51128120528193dbb2e59ef92be48b0 [0,1,0,0,0,0|3,0,0]=4 3144 B12R0.234 CC(=O)OCNCCCCCCCl cb466e48444f773cab01acf5c6f29970 [0,1,0,0,0,0|3,0,0]=4 3145 B12R0.234 CC(=O)OCNCCCCCCO 92190057923ffd8bc9a8632c78450d5d [0,1,0,0,0,0|3,0,0]=4 3146 B12R0.234 CC(=O)OCOCCCCCCF 753fa353dd77d4d8f966d93dccda1923 [0,1,0,0,0,0|3,0,0]=4 3147 B12R0.234 CC(=O)OCOCCCCCCS 4b25777c1b4f75ba557d28dc8a757a2c [0,1,0,0,0,0|3,0,0]=4 3148 B12R0.234 CC(=O)SCCCCNCCCCl 582dc3f75469e2349a62bd6f5c90d5ea [0,1,0,0,0,0|3,0,0]=4 3149 B12R0.234 CC(=O)SCCCCNCCCO eedc065bc3cf8aab75419f233159f1bc [0,1,0,0,0,0|3,0,0]=4 3150 B12R0.234 CC(=O)SCCCCOCCCF 0b437e58ba569465ecf4b83a792a7774 [0,1,0,0,0,0|3,0,0]=4 3151 B12R0.234 CC(=O)SCCCCOCCCS 38f45d5f4c4b6baeca53f8d0f2a020e2 [0,1,0,0,0,0|3,0,0]=4 3152 B12R0.234 CC(=O)SCCCNCCCCCl baf602641cec1bf9e69a5e4179037945 [0,1,0,0,0,0|3,0,0]=4 3153 B12R0.234 CC(=O)SCCCNCCCCO 8fe2c3e937a222ea8b1902cd2b107f41 [0,1,0,0,0,0|3,0,0]=4 3154 B12R0.234 CC(=O)SCCCNCCCCS abafed3c50edb7fad4d985379dbcb37c [0,1,0,0,0,0|3,0,0]=4 3155 B12R0.234 CC(=O)SCCCOCCCCF 208d4656ae808a6a92945fe1c9b036a7 [0,1,0,0,0,0|3,0,0]=4 3156 B12R0.234 CC(=O)SCCCOCCCCS a65c7c48f4aebd4914f2b3520baf1596 [0,1,0,0,0,0|3,0,0]=4 3157 B12R0.234 CC(=O)SCCNCCCCCCl f6e3cf50f572d123c5ae362ce8a3582d [0,1,0,0,0,0|3,0,0]=4 3158 B12R0.234 CC(=O)SCCNCCCCCO c7abf2d5ac44d28bc24ed512c76144f1 [0,1,0,0,0,0|3,0,0]=4 3159 B12R0.234 CC(O)CCCCNCCCCCl 964e66a2c00fd7714542c7df009673cd [0,1,0,0,0,0|2,0,1]=4 3160 B12R0.234 CC(O)CCCCNCCCCO 6f591ba8b394fe6a8130663abe33f70d [0,1,0,0,0,0|2,0,1]=4 3161 B12R0.234 CC(O)CCCCNCCCCS 65907c50c768a761610cad162ee02a9c [0,1,0,0,0,0|2,0,1]=4 3162 B12R0.234 CC(O)CCCNCCCCCCl 4df170a03b9ab05609d21b4971c52552 [0,1,0,0,0,0|2,0,1]=4 3163 B12R0.234 CC(O)CCCNCCCCCO 89d286fb2c0daa27ff15e812eb4ced9f [0,1,0,0,0,0|2,0,1]=4 3164 B12R0.234 CC(O)CCNCCCCCCCl ed4b7052b8c0181ed653f8584a3690b9 [0,1,0,0,0,0|2,0,1]=4 3165 B12R0.234 CC(O)CCNCCCCCCF 31bfdbfdaaf195274fac3c5f2d8f8019 [0,1,0,0,0,0|2,0,1]=4 3166 B12R0.234 CC(O)CCNCCCCCCO cec5839655eba3390204b94252b0162a [0,1,0,0,0,0|2,0,1]=4 3167 B12R0.234 CC(O)CNCCCCCCCO 5b58b6c518af704f6a565f93bf8d0622 [0,1,0,0,0,0|2,0,1]=4 3168 B12R0.234 CC/C=C/CCOCCCC(=O)C 5ff156b625ccad76578ef5eaf9b4618e [0,1,0,0,0,0|1,0,2]=4 3169 B12R0.234 CC/C=C/CCOCCCC(=O)N 48ba1b7b9cf24ea5bc88cb3140e7f293 [0,1,0,0,0,0|1,0,2]=4 3170 B12R0.234 CC/C=C/CCOCCCC(=O)O d91b5cffbe356fdcb01b34cffae4c0bc [0,1,0,0,0,0|0,0,2]=3 3171 B12R0.234 CC/C=C/CNCCCCC(=O)N cbdd74a7ac008de47ee8535d10973f25 [0,1,0,0,0,0|1,0,2]=4 3172 B12R0.234 CC/C=C/CNCCCCC(=O)O a303742afc7fd0c87b07f590e8f75d8a [0,1,0,0,0,0|0,0,2]=3 3173 B12R0.234 CC/C=C/CNCCOCC(=O)O 88d78ece86b8edc1ce7cca729a44c9c5 [0,1,0,0,0,0|1,0,2]=4 3174 B12R0.234 CC/C=C/CNCCSCC(=O)O b76a6b239338aa0a4e8890f6c7d390bc [0,1,0,0,0,0|1,0,2]=4 3175 B12R0.234 CC/C=C/COCCCCC(=O)C 3ab3917684129170903183d5838c173f [0,1,0,0,0,0|1,0,2]=4 3176 B12R0.234 CC/C=C/COCCCCC(=O)N 0362ecbb3835959634476a7bd811f700 [0,1,0,0,0,0|1,0,2]=4 3177 B12R0.234 CC/C=C/COCCCCC(=O)O c97c2122729e7f0dca9ce004885fb5d8 [0,1,0,0,0,0|0,0,2]=3 3178 B12R0.234 CC/C=C/COCCOCC(=O)O 3b80523e8ad8781625693a24e04e09d0 [0,1,0,0,0,0|1,0,2]=4 3179 B12R0.234 CC/C=C\CCCCOCC(=O)N 9ddf5df679aae8d9f23fc38e7fc6b78d [0,1,0,0,0,0|1,0,2]=4 3180 B12R0.234 CC/C=C\CCCCOCC(=O)O b71a31d787eeb570d764dc99175b65bb [0,1,0,0,0,0|0,0,2]=3 3181 B12R0.234 CC/C=C\CCCOCCC(=O)C f5b56266d805e6125613210f70e7169f [0,1,0,0,0,0|1,0,2]=4 3182 B12R0.234 CC/C=C\CCCOCCC(=O)N 712372be9c38e8dbb5a20a9303f1daaf [0,1,0,0,0,0|1,0,2]=4 3183 B12R0.234 CC/C=C\CCCOCCC(=O)O 22d0ce978d0e1a8dd01f94141fe6523d [0,1,0,0,0,0|0,0,2]=3 3184 B12R0.234 CC/C=C\CCNCCCC(=O)N a47dad37db09e3cc0671eecf3ea7a7c0 [0,1,0,0,0,0|1,0,2]=4 3185 B12R0.234 CC/C=C\CCNCCCC(=O)O 47cc71e13b69add0a2b9b5d6a6813971 [0,1,0,0,0,0|0,0,2]=3 3186 B12R0.234 CC/C=C\CCOCCCC(=O)C 9a0ab707ba3df73a5a9fc9ca0eaba9d3 [0,1,0,0,0,0|1,0,2]=4 3187 B12R0.234 CC/C=C\CCOCCCC(=O)N e9df1e167e25401c705041bdb4ad6287 [0,1,0,0,0,0|1,0,2]=4 3188 B12R0.234 CC/C=C\CCOCCCC(=O)O 8eec8965786c5e5d1e4fae8aa95e8bbd [0,1,0,0,0,0|0,0,2]=3 3189 B12R0.234 CC/C=C\COCCCCC(=O)C 96b9eab5077cbc47ffc86e810df2931f [0,1,0,0,0,0|1,0,2]=4 3190 B12R0.234 CC/C=C\COCCCCC(=O)N 05754aafa8ef5f9bec173c294ce0a062 [0,1,0,0,0,0|1,0,2]=4 3191 B12R0.234 CC/C=C\COCCCCC(=O)O f83bcaaa2d821beac7765c6c0abbf64c [0,1,0,0,0,0|0,0,2]=3 3192 B12R0.234 CC/C=C\COCCOCC(=O)O 978a46425171d2842587fafb33297639 [0,1,0,0,0,0|1,0,2]=4 3193 B12R0.234 CC=C=CCCOCCCC(=O)O 260de9a7d040108f53b2a6304ed5dad9 [0,1,0,0,0,0|0,0,3]=4 3194 B12R0.234 CC=CCCCOCCCC(=O)C 8d56fa52e8dda8d3852bd1f59277c55d [0,1,0,0,0,0|1,0,2]=4 3195 B12R0.234 CC=CCCCOCCCC(=O)N 7f30d4528e56091fc1571261aa3ee96d [0,1,0,0,0,0|1,0,2]=4 3196 B12R0.234 CC=CCCCOCCCC(=O)O 393e6e96dd1573db4f1d9f423c1b79e6 [0,1,0,0,0,0|0,0,2]=3 3197 B12R0.234 CC=CCNCCCCCC(=O)C ad518f4e1bbcb85bfa47897e7dfadeb5 [0,1,0,0,0,0|1,0,2]=4 3198 B12R0.234 CC=CCNCCCCCC(=O)N 91a0aa13f58bc4b2603616a18bd9b8c4 [0,1,0,0,0,0|1,0,2]=4 3199 B12R0.234 CC=CCNCCCCCC(=O)O 630772b2db40fc1fbf48b241e72d98a2 [0,1,0,0,0,0|0,0,2]=3 3200 B12R0.234 CC=CCNCCCOCC(=O)O 5f143c764e665a9ca11537ade6a61951 [0,1,0,0,0,0|1,0,2]=4 3201 B12R0.234 CC=CCNCCOCCC(=O)O a56e4513da335ea26beb3aa803efc1b6 [0,1,0,0,0,0|1,0,2]=4 3202 B12R0.234 CC=CCOCCCCCC(=O)C 789286f1cae0d859a8a1cda941319d9e [0,1,0,0,0,0|1,0,2]=4 3203 B12R0.234 CC=CCOCCCCCC(=O)N cc54e4af1b4ea5dc3dd044fd965b4fe6 [0,1,0,0,0,0|1,0,2]=4 3204 B12R0.234 CC=CCOCCCCCC(=O)O 7d05745fffa675569b95faa65b3d2081 [0,1,0,0,0,0|0,0,2]=3 3205 B12R0.234 CC=CCOCCCOCC(=O)O e156c24dd4d42c92d583b35b41a90377 [0,1,0,0,0,0|1,0,2]=4 3206 B12R0.234 CC=CCOCCOCCC(=O)O 3d662ad67881214c8807ed5f348d7133 [0,1,0,0,0,0|1,0,2]=4 3207 B12R0.234 CCC#CCCOCCCC(=O)C d7e9a9bec943870c79d8d1cb741041ff [0,1,0,0,0,0|1,0,2]=4 3208 B12R0.234 CCC#CCCOCCCC(=O)N b4784aef3cf7964083b7d444f5ce9afe [0,1,0,0,0,0|1,0,2]=4 3209 B12R0.234 CCC#CCOCCCCC(=O)C 6a8f1c3e497effead15d766b3dfb005f [0,1,0,0,0,0|1,0,2]=4 3210 B12R0.234 CCC#CCOCCCCC(=O)N 01534ef53ee5e812aaf1a40d1ac18805 [0,1,0,0,0,0|1,0,2]=4 3211 B12R0.234 CCC#CCOCCOCC(=O)O 8663dc2a436d024633c33685eb5e552d [0,1,0,0,0,0|1,0,2]=4 3212 B12R0.234 CCC/C=C/CCCOCC(=O)N 145c80b6090b3c9f49953d9b610d6355 [0,1,0,0,0,0|1,0,2]=4 3213 B12R0.234 CCC/C=C/CCCOCC(=O)O 48853fd5ef70c2ea31b74f35ffdfd200 [0,1,0,0,0,0|0,0,2]=3 3214 B12R0.234 CCC/C=C/CNCCCC(=O)N fdd6a82d661ed31bd9013be042500687 [0,1,0,0,0,0|1,0,2]=4 3215 B12R0.234 CCC/C=C/CNCCCC(=O)O e1169a7bcd0bb2f7a8e54e72b452ffdc [0,1,0,0,0,0|0,0,2]=3 3216 B12R0.234 CCC/C=C/COCCCC(=O)C 97e111c86735580d3a49bde5f05fa926 [0,1,0,0,0,0|1,0,2]=4 3217 B12R0.234 CCC/C=C/COCCCC(=O)N 5502aef124f4a65504e376fc4c431d24 [0,1,0,0,0,0|1,0,2]=4 3218 B12R0.234 CCC/C=C/COCCCC(=O)O 60e72dc4b78559b706934095f864d9d5 [0,1,0,0,0,0|0,0,2]=3 3219 B12R0.234 CCC/C=C\CCCOCC(=O)N 55e493c14abc4ca6fa9aac976acbc65f [0,1,0,0,0,0|1,0,2]=4 3220 B12R0.234 CCC/C=C\CCCOCC(=O)O 7b486f396d1337ed5393fadb14c57091 [0,1,0,0,0,0|0,0,2]=3 3221 B12R0.234 CCC/C=C\CCOCCC(=O)C b4a650184e55c4f191fa85f4026bb108 [0,1,0,0,0,0|1,0,2]=4 3222 B12R0.234 CCC/C=C\CCOCCC(=O)N 2a970954e610934d0d41848738ac876c [0,1,0,0,0,0|1,0,2]=4 3223 B12R0.234 CCC/C=C\CCOCCC(=O)O 0b8fff689e2e13092498e6f25a6a228c [0,1,0,0,0,0|0,0,2]=3 3224 B12R0.234 CCC/C=C\CNCCCC(=O)N 0d94a20660d084dc4e196fcdd10a9a33 [0,1,0,0,0,0|1,0,2]=4 3225 B12R0.234 CCC/C=C\CNCCCC(=O)O 1d47609e8975367e566dce4a580177ea [0,1,0,0,0,0|0,0,2]=3 3226 B12R0.234 CCC/C=C\COCCCC(=O)C bd3f6a1741ffd08cd0f8eab22f7f947c [0,1,0,0,0,0|1,0,2]=4 3227 B12R0.234 CCC/C=C\COCCCC(=O)N 49f9dabdcd657147a6b8deb968d570a5 [0,1,0,0,0,0|1,0,2]=4 3228 B12R0.234 CCC/C=C\COCCCC(=O)O 68e18fb6762067830fdb0f30557b0660 [0,1,0,0,0,0|0,0,2]=3 3229 B12R0.234 CCCC#CCCOCCC(=O)C 8b8fcf1b069411fa01d24242e74e5456 [0,1,0,0,0,0|1,0,2]=4 3230 B12R0.234 CCCC#CCCOCCC(=O)N 77617207c1b52878b5b370fac09dcaee [0,1,0,0,0,0|1,0,2]=4 3231 B12R0.234 CCCC#CCCOCCC(=O)O 49a92fbd45dfb7664154b71febfeea61 [0,1,0,0,0,0|0,0,2]=3 3232 B12R0.234 CCCC#CCOCCCC(=O)C a2d37fa7f48a3cd2ab13f1c8da5c69d2 [0,1,0,0,0,0|1,0,2]=4 3233 B12R0.234 CCCC#CCOCCCC(=O)N 434f8238bffe74ee6561bdfcdcbb3a02 [0,1,0,0,0,0|1,0,2]=4 3234 B12R0.234 CCCC/C=C/CNCCC(=O)N 8c8ced4192006f7593a0053559b1fe02 [0,1,0,0,0,0|1,0,2]=4 3235 B12R0.234 CCCC/C=C/CNCCC(=O)O 9427e75fd684e7a3b896f4c944cc229f [0,1,0,0,0,0|0,0,2]=3 3236 B12R0.234 CCCC/C=C/CNCCS(=O)O 42eacd01ae1a26526dc0f08bbfa5a1d0 [0,1,0,0,0,0|1,0,2]=4 3237 B12R0.234 CCCC/C=C/COCCC(=O)C e690936f1679374985afb610fa020fa5 [0,1,0,0,0,0|1,0,2]=4 3238 B12R0.234 CCCC/C=C/COCCC(=O)N 406d35b3d3992af901294afa5d99624a [0,1,0,0,0,0|1,0,2]=4 3239 B12R0.234 CCCC/C=C/COCCC(=O)O 048faf46e37d18487ff6fdd5bec19b59 [0,1,0,0,0,0|0,0,2]=3 3240 B12R0.234 CCCC/C=C\CCOCC(=O)N e520c47485950456375d96a19a758d93 [0,1,0,0,0,0|1,0,2]=4 3241 B12R0.234 CCCC/C=C\CCOCC(=O)O 82d13072d7dd9f7c044e55cfad4c8a8e [0,1,0,0,0,0|0,0,2]=3 3242 B12R0.234 CCCC/C=C\CNCCC(=O)N 2b279f27af58edbe1851815d415169d0 [0,1,0,0,0,0|1,0,2]=4 3243 B12R0.234 CCCC/C=C\CNCCC(=O)O 7d9731e40ba809052558d44c7ebd0e00 [0,1,0,0,0,0|0,0,2]=3 3244 B12R0.234 CCCC/C=C\CNCCS(=O)O da3989c911bff596907da101a6034222 [0,1,0,0,0,0|1,0,2]=4 3245 B12R0.234 CCCC/C=C\COCCC(=O)C 9740032f741dbd407e6ddbf099642172 [0,1,0,0,0,0|1,0,2]=4 3246 B12R0.234 CCCC/C=C\COCCC(=O)N 46ddbca0d45707f8d60cc554288c7d65 [0,1,0,0,0,0|1,0,2]=4 3247 B12R0.234 CCCC/C=C\COCCC(=O)O 0c9059befa32e0fa3f54758b5a03bf7d [0,1,0,0,0,0|0,0,2]=3 3248 B12R0.234 CCCC=C=CCCOCC(=O)O a08a71c2b8a47868630983b37e43b24e [0,1,0,0,0,0|0,0,3]=4 3249 B12R0.234 CCCCC#CCCOCC(=O)N 05630c7c5348deb7d057381a77ef74f7 [0,1,0,0,0,0|1,0,2]=4 3250 B12R0.234 CCCCC#CCCOCC(=O)O 96474898ecffda329223142d8a6a29a6 [0,1,0,0,0,0|0,0,2]=3 3251 B12R0.234 CCCCC#CCOCCC(=O)C 2023fce3e99997c9d88b5b2afbd7f63f [0,1,0,0,0,0|1,0,2]=4 3252 B12R0.234 CCCCC#CCOCCC(=O)N df1b09abe8849d61b138cc0641c8d297 [0,1,0,0,0,0|1,0,2]=4 3253 B12R0.234 CCCCC#CCOCCC(=O)O 7471cd05a7662196aa6d416cb57143a7 [0,1,0,0,0,0|0,0,2]=3 3254 B12R0.234 CCCCC/C=C/COCC(=O)N 0f4c18afdf88dc83bc7c646a142097fb [0,1,0,0,0,0|1,0,2]=4 3255 B12R0.234 CCCCC/C=C/COCC(=O)O 38e2b6185e8a0ff212a0ddaf5b3d9e1c [0,1,0,0,0,0|0,0,2]=3 3256 B12R0.234 CCCCCC#CCOCC(=O)N b3c60bd3c2ab0dae194b459de130f1e3 [0,1,0,0,0,0|1,0,2]=4 3257 B12R0.234 CCCCCC#CCOCC(=O)O a9b8a996e29fdcefc924bb5869846a77 [0,1,0,0,0,0|0,0,2]=3 3258 B12R0.234 CCCCCCCCCNC(=O)C 5fcb67754cb579f2f81659cca014b221 [0,1,0,0,0,0|1,0,0]=2 3259 B12R0.234 CCCCCCCCCNC(C)C 633b87e87241210ce29b4c891b10d156 [0,1,0,0,0,0|2,0,1]=4 3260 B12R0.234 CCCCCCCCCOC(C)C 5bfa3d51b03e273aa1342ee47e729825 [0,1,0,0,0,0|2,0,1]=4 3261 B12R0.234 CCCCCCCCNCC(=O)C 843a2cfb38179d3b3caf9d0d2340122f [0,1,0,0,0,0|1,0,0]=2 3262 B12R0.234 CCCCCCCCNCC(=O)N 93d52126533923c2f1b36be9138ca635 [0,1,0,0,0,0|1,0,0]=2 3263 B12R0.234 CCCCCCCCNCC(=O)O 83781ea853aa67014c4d40190a4bf6ba [0,1,0,0,0,0|0,0,0]=1 3264 B12R0.234 CCCCCCCCNCC(C)C edc2de24352412e89c0daea62e82a9f2 [0,1,0,0,0,0|2,0,1]=4 3265 B12R0.234 CCCCCCCCNCC(C)O 2ef8cc6de61c88a08a694653cec27f91 [0,1,0,0,0,0|1,0,1]=3 3266 B12R0.234 CCCCCCCCNCC(F)F 15e671588ddab528663a82538c54c026 [0,1,0,0,0,0|2,0,1]=4 3267 B12R0.234 CCCCCCCCNCN(C)C b34813edb2d1d53a044538aa140a0b2b [0,1,0,0,0,0|3,0,0]=4 3268 B12R0.234 CCCCCCCCNC[C@@H](C)O b95eeee27d9fa25791056fa2e6d0104a [0,1,0,0,0,0|1,0,1]=3 3269 B12R0.234 CCCCCCCCNC[C@H](C)O 259d26ce885c1415cf78f53d5926aa88 [0,1,0,0,0,0|1,0,1]=3 3270 B12R0.234 CCCCCCCCNC[N+](=O)[O-] aa26e5d3615be12f7263cfbcab98e6b5 [0,1,0,0,0,0|1,0,1]=3 3271 B12R0.234 CCCCCCCCOCC(=O)C 975d1e04c005a3736c3d966e413ed9a4 [0,1,0,0,0,0|1,0,0]=2 3272 B12R0.234 CCCCCCCCOCC(=O)N 6dd174f9955f59e7715671df2fb7d707 [0,1,0,0,0,0|1,0,0]=2 3273 B12R0.234 CCCCCCCCOCC(=O)O b83cc991500dd7f4cc1f14a947f049a9 [0,1,0,0,0,0|0,0,0]=1 3274 B12R0.234 CCCCCCCCOCC(=S)N e588413941670ff0556e32001bcf0418 [0,1,0,0,0,0|1,1,0]=3 3275 B12R0.234 CCCCCCCCOCC(C)C 86fa86f500776572e8f262245d9511e3 [0,1,0,0,0,0|2,0,1]=4 3276 B12R0.234 CCCCCCCCOCC(C)F ae1ca7e455dece962dc9262c593430ce [0,1,0,0,0,0|2,0,1]=4 3277 B12R0.234 CCCCCCCCOCC(C)S 2ade3d64af1a31c78f3b01dffc3145c2 [0,1,0,0,0,0|1,1,1]=4 3278 B12R0.234 CCCCCCCCOCC(F)F b17d4ef6b61ef484846f30a2979782b8 [0,1,0,0,0,0|2,0,1]=4 3279 B12R0.234 CCCCCCCCOCN(C)C 22d9cc71c7e8d015c42ae3d213047031 [0,1,0,0,0,0|3,0,0]=4 3280 B12R0.234 CCCCCCCCOCS(=O)O ddd48fec0524b009039de055a38d78b1 [0,1,0,0,0,0|1,0,0]=2 3281 B12R0.234 CCCCCCCCOC[C@@H](C)F 425190a999d384b9c5630093b2067c8a [0,1,0,0,0,0|2,0,1]=4 3282 B12R0.234 CCCCCCCCOC[C@H](C)F cc082e90c22cc1ff82b417a9c15691e0 [0,1,0,0,0,0|2,0,1]=4 3283 B12R0.234 CCCCCCCCOC[N+](=O)[O-] 2fe9ce4e2deb201447e51085100407d6 [0,1,0,0,0,0|1,0,1]=3 3284 B12R0.234 CCCCCCCNC/C=C(/C)\I 2d21d6595071ecb9a3033d41dfe7bdbe [0,1,0,0,0,0|2,0,1]=4 3285 B12R0.234 CCCCCCCNC/C=C(\C)/Cl 8a61d899444984ce214836fcb38b4f09 [0,1,0,0,0,0|2,0,1]=4 3286 B12R0.234 CCCCCCCNCC=C(C)C a40eedd062cc5b72102c2ae793622cf9 [0,1,0,0,0,0|2,0,1]=4 3287 B12R0.234 CCCCCCCNCC=C(C)Cl 9d63d3b43e76bd6c32d45bb4b2f40b07 [0,1,0,0,0,0|2,0,1]=4 3288 B12R0.234 CCCCCCCNCC=C(C)I 5206879ce8b7e564f5beb892aeb6a878 [0,1,0,0,0,0|2,0,1]=4 3289 B12R0.234 CCCCCCCNCC=C(Cl)Cl 1d3e2025225b8e2322ae11397f8b7c78 [0,1,0,0,0,0|2,0,1]=4 3290 B12R0.234 CCCCCCCNCCC(=O)C ab9de0fc6e0b0e78dd96f7b6d4b54397 [0,1,0,0,0,0|1,0,0]=2 3291 B12R0.234 CCCCCCCNCCC(=O)N cdfffaf067c2fbfe2769a61b7603c569 [0,1,0,0,0,0|1,0,0]=2 3292 B12R0.234 CCCCCCCNCCC(=O)O 977de1b8eb917820b2e1cca0d817c9d8 [0,1,0,0,0,0|0,0,0]=1 3293 B12R0.234 CCCCCCCNCCC(=S)N f8bfd6327d70be82b5992482b27c5936 [0,1,0,0,0,0|1,1,0]=3 3294 B12R0.234 CCCCCCCNCCC(C)C ef7cdc64c30b34e0c8305194073ddf16 [0,1,0,0,0,0|2,0,1]=4 3295 B12R0.234 CCCCCCCNCCC(C)O 46c6fa42f475c5b9fdf795a105468042 [0,1,0,0,0,0|1,0,1]=3 3296 B12R0.234 CCCCCCCNCCC(F)F 6a8780d96c5c0a843ed64f6501d9f7cd [0,1,0,0,0,0|2,0,1]=4 3297 B12R0.234 CCCCCCCNCCN(C)C 4abef3c329235d92f65d0601a165e487 [0,1,0,0,0,0|3,0,0]=4 3298 B12R0.234 CCCCCCCNCCS(=O)C d2c6971c249e50ee09f9fa0ab59349cc [0,1,0,0,0,0|2,0,0]=3 3299 B12R0.234 CCCCCCCNCCS(=O)O 565379a7d0219086578b9e959b0c956d [0,1,0,0,0,0|1,0,0]=2 3300 B12R0.234 CCCCCCCNCC[C@@H](C)O d8b7b78276e6589d71be024e1f1f86de [0,1,0,0,0,0|1,0,1]=3 3301 B12R0.234 CCCCCCCNCC[C@H](C)O 71c1a0ee238684f7ba5730029f8afc27 [0,1,0,0,0,0|1,0,1]=3 3302 B12R0.234 CCCCCCCNCOC(=O)C 4acd5ffaf13312aaf737d3ae044c33fd [0,1,0,0,0,0|2,0,0]=3 3303 B12R0.234 CCCCCCCNCSC(=O)N d9d862bd19b90d8003951d2f912932ac [0,1,0,0,0,0|2,0,0]=3 3304 B12R0.234 CCCCCCCOC/C=C(/C)\Cl e4ea17281fcb7d7fab7bbfe8e10350b2 [0,1,0,0,0,0|2,0,1]=4 3305 B12R0.234 CCCCCCCOC/C=C(/C)\I 06e173984a9d0822bed2157e28b2f4e9 [0,1,0,0,0,0|2,0,1]=4 3306 B12R0.234 CCCCCCCOC/C=C(\C)/Cl 7740f33ee8a83280d933d2b1b9f6551f [0,1,0,0,0,0|2,0,1]=4 3307 B12R0.234 CCCCCCCOCC=C(C)C 3aba8cdd9376ab8363c8083ef428d203 [0,1,0,0,0,0|2,0,1]=4 3308 B12R0.234 CCCCCCCOCC=C(C)Cl 7f0ad0b87abbcfb3c27924dc9fffbc32 [0,1,0,0,0,0|2,0,1]=4 3309 B12R0.234 CCCCCCCOCC=C(C)I bc93e785191282d9f882a790df6e2729 [0,1,0,0,0,0|2,0,1]=4 3310 B12R0.234 CCCCCCCOCC=C(Cl)Cl 578e65621242973d9054228135858035 [0,1,0,0,0,0|2,0,1]=4 3311 B12R0.234 CCCCCCCOCCC(=O)C e4aa55eb37e4a9deb95ffd7f03207921 [0,1,0,0,0,0|1,0,0]=2 3312 B12R0.234 CCCCCCCOCCC(=O)N f1f3ae36c8ebb21fdc4e830a47507388 [0,1,0,0,0,0|1,0,0]=2 3313 B12R0.234 CCCCCCCOCCC(=O)O 99a55f75abedf1e7f5e210f440faf80f [0,1,0,0,0,0|0,0,0]=1 3314 B12R0.234 CCCCCCCOCCC(C)C 7b4e8cf3be867280f595306a642671c2 [0,1,0,0,0,0|2,0,1]=4 3315 B12R0.234 CCCCCCCOCCC(F)F 70011af9091ea7bbf9ec569d58fc880c [0,1,0,0,0,0|2,0,1]=4 3316 B12R0.234 CCCCCCCOCCN(C)C 3d83ed7418c7b5f1512586c2a8bf6cd1 [0,1,0,0,0,0|3,0,0]=4 3317 B12R0.234 CCCCCCCOCCS(=O)C 440cf1793ac784a097c757205b2732d9 [0,1,0,0,0,0|2,0,0]=3 3318 B12R0.234 CCCCCCCOCC[N+](=O)[O-] d55a6ef7602da8f55c734e3489be5f6a [0,1,0,0,0,0|1,0,1]=3 3319 B12R0.234 CCCCCCCOCNC(=O)C 8868a63fe0ad62db02100c17a605331f [0,1,0,0,0,0|2,0,0]=3 3320 B12R0.234 CCCCCCCOCNC(=O)N 583a1d3395b1a0a8b86a1affcfb071b4 [0,1,0,0,0,0|2,0,0]=3 3321 B12R0.234 CCCCCCCOCOC(=O)C 75994a86af9a170a2203559f5480833e [0,1,0,0,0,0|2,0,0]=3 3322 B12R0.234 CCCCCCCOCSC(=O)N bdec04f61890b105e2da8b44eed957e7 [0,1,0,0,0,0|2,0,0]=3 3323 B12R0.234 CCCCCCNC/C=C/C(=O)O 7a59b770969d8fa4966078f52f1cfd59 [0,1,0,0,0,0|0,0,2]=3 3324 B12R0.234 CCCCCCNCC#CC(=O)N 4d2b8194d8fce9ff1f54c25f7ed5d424 [0,1,0,0,0,0|1,0,2]=4 3325 B12R0.234 CCCCCCNCC#CC(=O)O 663d99f45e25ff960f1e6314a316171e [0,1,0,0,0,0|0,0,2]=3 3326 B12R0.234 CCCCCCNCC=CC(=O)O 034fd8f63c2a68994cdef6bdc5e8c763 [0,1,0,0,0,0|0,0,2]=3 3327 B12R0.234 CCCCCCNCCC=C(C)C 2249bd19c46e398eacc5afc3e5fc0683 [0,1,0,0,0,0|2,0,1]=4 3328 B12R0.234 CCCCCCNCCC=C(F)F 72e92c3236a70ce4fbee7044694db232 [0,1,0,0,0,0|2,0,1]=4 3329 B12R0.234 CCCCCCNCCCC(=O)C 4237140c45387a29125de17b57d911d0 [0,1,0,0,0,0|1,0,0]=2 3330 B12R0.234 CCCCCCNCCCC(=O)N e1b6b2c251765ac9edea9af982611062 [0,1,0,0,0,0|1,0,0]=2 3331 B12R0.234 CCCCCCNCCCC(=O)O 7ea79cc51006783abcbb20123d130057 [0,1,0,0,0,0|0,0,0]=1 3332 B12R0.234 CCCCCCNCCCC(C)C 0f29d09636d4ade1077cb5b342674e86 [0,1,0,0,0,0|2,0,1]=4 3333 B12R0.234 CCCCCCNCCCC(C)O 64883e7be3613ca791393331610df0c6 [0,1,0,0,0,0|1,0,1]=3 3334 B12R0.234 CCCCCCNCCCN(C)C d7f27cb8a9b0f12cc37cba3a2f2e0c9f [0,1,0,0,0,0|3,0,0]=4 3335 B12R0.234 CCCCCCNCCCS(=O)C 8f467f3e0360cbe7ec9d0c5711b27369 [0,1,0,0,0,0|2,0,0]=3 3336 B12R0.234 CCCCCCNCCC[N+](=O)[O-] 13af7f272ba497ed6fc16e40305a37e5 [0,1,0,0,0,0|1,0,1]=3 3337 B12R0.234 CCCCCCNCCNC(=O)C 8e8f681ebd2ec3710353ef5d73bad07e [0,1,0,0,0,0|2,0,0]=3 3338 B12R0.234 CCCCCCNCCNC(=O)N 0c3cc2f01b2e41dafdd05375a2755e11 [0,1,0,0,0,0|2,0,0]=3 3339 B12R0.234 CCCCCCNCCNC(=S)N 647f2465e705b575bc20cb1a5b63dec9 [0,1,0,0,0,0|2,1,0]=4 3340 B12R0.234 CCCCCCNCCOC(=O)C 5e4df66cbdad6b3a596e2cb05ff69657 [0,1,0,0,0,0|2,0,0]=3 3341 B12R0.234 CCCCCCNCCSC(=O)C 29c813ca360602fc3878ad960b66fd01 [0,1,0,0,0,0|2,0,0]=3 3342 B12R0.234 CCCCCCOC/C=C/C(=O)O 128dea79449a57e6860601570247a082 [0,1,0,0,0,0|0,0,2]=3 3343 B12R0.234 CCCCCCOCC#CC(=O)O 08dcf3cbbdfccd11c783883d914b36dc [0,1,0,0,0,0|0,0,2]=3 3344 B12R0.234 CCCCCCOCC=CC(=O)O 8819b9a5f31b28310280cbe2ba6bbd0a [0,1,0,0,0,0|0,0,2]=3 3345 B12R0.234 CCCCCCOCCC=C(C)C 44c9c7672119671e5f69a9791d59b173 [0,1,0,0,0,0|2,0,1]=4 3346 B12R0.234 CCCCCCOCCC=C(F)F f354d4416c5058a067a80d4ca5d4c3c4 [0,1,0,0,0,0|2,0,1]=4 3347 B12R0.234 CCCCCCOCCCC(=O)C 21a282bc9702686e7106e1ffe8f5e3e8 [0,1,0,0,0,0|1,0,0]=2 3348 B12R0.234 CCCCCCOCCCC(=O)N ed8f97a3043f9d940f4f0551572131c1 [0,1,0,0,0,0|1,0,0]=2 3349 B12R0.234 CCCCCCOCCCC(C)C 77a66c107ba53b6c1dd34c94b5f1dcae [0,1,0,0,0,0|2,0,1]=4 3350 B12R0.234 CCCCCCOCCCN(C)C 7e31b4a2494d29d3c564483431b37ecf [0,1,0,0,0,0|3,0,0]=4 3351 B12R0.234 CCCCCCOCCC[N+](=O)[O-] 5495ea670f75912a65c673b6ecadf383 [0,1,0,0,0,0|1,0,1]=3 3352 B12R0.234 CCCCCCOCCNC(=O)C 5a81c1ba5342d93ff8efab51f772c115 [0,1,0,0,0,0|2,0,0]=3 3353 B12R0.234 CCCCCCOCCNC(=O)N 3aaec2c8c6689ea30d6055a82764477a [0,1,0,0,0,0|2,0,0]=3 3354 B12R0.234 CCCCCCOCCNC(=S)N accd96c091df2946891413da73a0a4bf [0,1,0,0,0,0|2,1,0]=4 3355 B12R0.234 CCCCCCOCCOC(=O)C c976678a6b281cbeb8d86df12cc7c5bc [0,1,0,0,0,0|2,0,0]=3 3356 B12R0.234 CCCCCCOCCSC(=O)C 1f11bdb2561a91ddd2623515c77a997c [0,1,0,0,0,0|2,0,0]=3 3357 B12R0.234 CCCCCNCCCCC(=O)C dc4186c3df002a1751f5b68bbd0e09e8 [0,1,0,0,0,0|1,0,0]=2 3358 B12R0.234 CCCCCNCCCCC(=O)N 792c73d83695f0c6b1c51accfc11ffb7 [0,1,0,0,0,0|1,0,0]=2 3359 B12R0.234 CCCCCNCCCCC(=O)O 2025641bcbba83afa908fa317adfc621 [0,1,0,0,0,0|0,0,0]=1 3360 B12R0.234 CCCCCNCCCCC(C)C 77619bb2a003ac28a8389daad0d73dc0 [0,1,0,0,0,0|2,0,1]=4 3361 B12R0.234 CCCCCNCCCCC(C)O 09f507821b174cb9dc8b0069b827deb5 [0,1,0,0,0,0|1,0,1]=3 3362 B12R0.234 CCCCCNCCCCC(F)F 6c8d1902b50d7d2754f35e9146232653 [0,1,0,0,0,0|2,0,1]=4 3363 B12R0.234 CCCCCNCCCCN(C)C c022429f40983350da605ae61176788d [0,1,0,0,0,0|3,0,0]=4 3364 B12R0.234 CCCCCNCCCC[C@@H](C)O f281a32fc86dc68ed462aa4cc12815ea [0,1,0,0,0,0|1,0,1]=3 3365 B12R0.234 CCCCCNCCCNC(=O)C d79126de0b63edd10f9e7c1628412f11 [0,1,0,0,0,0|2,0,0]=3 3366 B12R0.234 CCCCCNCCCOC(=O)C 423c88eb7c9ef3c2030cf82f13884d85 [0,1,0,0,0,0|2,0,0]=3 3367 B12R0.234 CCCCCNCCCOC(=S)C f6619d057ec2f7ffddccd5ab0e64ed5f [0,1,0,0,0,0|2,1,0]=4 3368 B12R0.234 CCCCCNCCCSC(=O)C 42d5feecab52fd3360f8eb81b6687e0c [0,1,0,0,0,0|2,0,0]=3 3369 B12R0.234 CCCCCNCCOCC(=O)N bf09bba9c59fcadc957acc309f1b6906 [0,1,0,0,0,0|2,0,0]=3 3370 B12R0.234 CCCCCNCCOCC(=O)O bc78ad70e8471400d9ede087f22b717f [0,1,0,0,0,0|1,0,0]=2 3371 B12R0.234 CCCCCOCCC#CC(=O)O 4e029b33872e4a9d9a4e3cd53d6d506c [0,1,0,0,0,0|0,0,2]=3 3372 B12R0.234 CCCCCOCCCCC(=O)C e9f945235295e2068ec066faab0e9b72 [0,1,0,0,0,0|1,0,0]=2 3373 B12R0.234 CCCCCOCCCCC(=O)N 530a460316a7be743482dd552f5a7478 [0,1,0,0,0,0|1,0,0]=2 3374 B12R0.234 CCCCCOCCCCC(=O)O c7ef8c838f309db77667febcb5863413 [0,1,0,0,0,0|0,0,0]=1 3375 B12R0.234 CCCCCOCCCCC(C)C 051429fa7b3297c644ec6896bac0dcbb [0,1,0,0,0,0|2,0,1]=4 3376 B12R0.234 CCCCCOCCCCN(C)C 3d89657b06ce8ccb79338e13346bc4fa [0,1,0,0,0,0|3,0,0]=4 3377 B12R0.234 CCCCCOCCCC[N+](=O)[O-] 44cb9280ff8dffe54c5a566f1f70931e [0,1,0,0,0,0|1,0,1]=3 3378 B12R0.234 CCCCCOCCCNC(=O)C 7c08b7feaf0f7499cc24d3b322b2e100 [0,1,0,0,0,0|2,0,0]=3 3379 B12R0.234 CCCCCOCCCOC(=O)C 34af0b0fadb315ed42fdff80d0677b37 [0,1,0,0,0,0|2,0,0]=3 3380 B12R0.234 CCCCCOCCCOC(=S)C 1f0079a3bd0a123dfa1a8bcdf2c82063 [0,1,0,0,0,0|2,1,0]=4 3381 B12R0.234 CCCCCOCCCO[N+](=O)[O-] c8a9b46d6b7b46b110847ebe0768d91c [0,1,0,0,0,0|2,0,1]=4 3382 B12R0.234 CCCCCOCCCSC(=O)C c032542397a714bf31a432f4d3a19b4c [0,1,0,0,0,0|2,0,0]=3 3383 B12R0.234 CCCCCOCCOCC(=O)N 78496312a8244b65003821c10e930475 [0,1,0,0,0,0|2,0,0]=3 3384 B12R0.234 CCCCCOCCOCC(=O)O 90f5a7a87dfe47c6baf748d44799d2a4 [0,1,0,0,0,0|1,0,0]=2 3385 B12R0.234 CCCCCOCCOC[N+](=O)[O-] 40b415526fd7b252f067242af5fe9990 [0,1,0,0,0,0|2,0,1]=4 3386 B12R0.234 CCCCCOCCSCC(=O)N a7b1609eb192f287ffa4e5c701d99fa9 [0,1,0,0,0,0|2,0,0]=3 3387 B12R0.234 CCCCNCCCCCC(=O)C 701c3ae3670d1ba04699f1fa3077ef26 [0,1,0,0,0,0|1,0,0]=2 3388 B12R0.234 CCCCNCCCCCC(=O)N 6d0265cb32df3084824ffb8bebfc96b6 [0,1,0,0,0,0|1,0,0]=2 3389 B12R0.234 CCCCNCCCCCC(=O)O d4c182fcc67a7ce7c55b799b06a1174d [0,1,0,0,0,0|0,0,0]=1 3390 B12R0.234 CCCCNCCCCCC(C)C de49912e4efc404aa9340aeea692cfcf [0,1,0,0,0,0|2,0,1]=4 3391 B12R0.234 CCCCNCCCCCC(F)F 009d1045925b3912f8565c8a734d99d8 [0,1,0,0,0,0|2,0,1]=4 3392 B12R0.234 CCCCNCCCCCN(C)C a37604dc9e8c167ef751e9372ad9fac1 [0,1,0,0,0,0|3,0,0]=4 3393 B12R0.234 CCCCNCCCCNC(=O)C beb884073d6a6a9697fc9296171d0dfc [0,1,0,0,0,0|2,0,0]=3 3394 B12R0.234 CCCCNCCCCOC(=O)C b3358e88a24e4565228a2198d21215eb [0,1,0,0,0,0|2,0,0]=3 3395 B12R0.234 CCCCNCCCCSC(=O)C 955b96a5f70c81ffc05ca30332fbb700 [0,1,0,0,0,0|2,0,0]=3 3396 B12R0.234 CCCCNCCCOCC(=O)O 97bf5a6ef7431714bfb45672b98a41b3 [0,1,0,0,0,0|1,0,0]=2 3397 B12R0.234 CCCCNCCOCCC(=O)O f8b5ea6e3dd209943534dbc3eb6c2cfb [0,1,0,0,0,0|1,0,0]=2 3398 B12R0.234 CCCCNCOCCOC(=O)C ce41d1a8eff334810494a97ba3520b58 [0,1,0,0,0,0|3,0,0]=4 3399 B12R0.234 CCCCOCCCCCC(=O)C 0f08ac5a655c29744fd7707a663f4121 [0,1,0,0,0,0|1,0,0]=2 3400 B12R0.234 CCCCOCCCCCC(=O)N e904d535cab28bd8a699671139a91112 [0,1,0,0,0,0|1,0,0]=2 3401 B12R0.234 CCCCOCCCCCC(=O)O 7292906efe2519124d1759b2ec8cb916 [0,1,0,0,0,0|0,0,0]=1 3402 B12R0.234 CCCCOCCCCCC(C)C 1b591539c3f9bcd8285c6aa6d6262aed [0,1,0,0,0,0|2,0,1]=4 3403 B12R0.234 CCCCOCCCCCC(F)F 1726d53d329160f48f1594ee93a963a4 [0,1,0,0,0,0|2,0,1]=4 3404 B12R0.234 CCCCOCCCCCN(C)C f334f41bfbb7dffa31c984a90bba1c10 [0,1,0,0,0,0|3,0,0]=4 3405 B12R0.234 CCCCOCCCCOC(=O)C c996cbcbd03482799e1eeeee731eb29b [0,1,0,0,0,0|2,0,0]=3 3406 B12R0.234 CCCCOCCCCSC(=O)C 2db3862f438f590da8645f87511262fd [0,1,0,0,0,0|2,0,0]=3 3407 B12R0.234 CCCCOCCCNCC(=O)N 08c642f61a25e5c9c8787d6bdcbd8911 [0,1,0,0,0,0|2,0,0]=3 3408 B12R0.234 CCCCOCCCNCC(=O)O 27cdc24b902ba5a62df998cb9a9ce636 [0,1,0,0,0,0|1,0,0]=2 3409 B12R0.234 CCCCOCCCNCC(C)O 5363eef4d9045be13f2dd60529241278 [0,1,0,0,0,0|2,0,1]=4 3410 B12R0.234 CCCCOCCCNC[C@@H](C)O 3bf84874cdf64dde6d0b7e62d75a98e3 [0,1,0,0,0,0|2,0,1]=4 3411 B12R0.234 CCCCOCCCNC[C@H](C)O aa6c5e73b06117453354d01ebd28d012 [0,1,0,0,0,0|2,0,1]=4 3412 B12R0.234 CCCCOCCCNC[N+](=O)[O-] da9ea0dab244c7a8f9f7ee6adf365137 [0,1,0,0,0,0|2,0,1]=4 3413 B12R0.234 CCCCOCCCOCC(=O)N e7951dad8c9eed2a5915fee49c5121cd [0,1,0,0,0,0|2,0,0]=3 3414 B12R0.234 CCCCOCCCOCC(=O)O 74959e98b33214a3a9e064d0a7b7c49a [0,1,0,0,0,0|1,0,0]=2 3415 B12R0.234 CCCCOCCCOCC(=S)N 33163efbb49992a9abbba6ec95ccde08 [0,1,0,0,0,0|2,1,0]=4 3416 B12R0.234 CCCCOCCCOC[N+](=O)[O-] 4d5ae9feaf206de6b9f11e0a4aa7212b [0,1,0,0,0,0|2,0,1]=4 3417 B12R0.234 CCCCOCCNCCC(=O)C ea99523e2322198738f2f7f3fc58e440 [0,1,0,0,0,0|2,0,0]=3 3418 B12R0.234 CCCCOCCNCCC(=O)N 3e4bc395209c636475b268fb9fdafa96 [0,1,0,0,0,0|2,0,0]=3 3419 B12R0.234 CCCCOCCNCCC(=O)O e93c16e846a86354b6055df0d6025a13 [0,1,0,0,0,0|1,0,0]=2 3420 B12R0.234 CCCCOCCNCCC(=S)N 5c2554b4490526daaa39c89d1d318542 [0,1,0,0,0,0|2,1,0]=4 3421 B12R0.234 CCCCOCCNCCC(C)O 11baf687250f60b29f8c1be528c63707 [0,1,0,0,0,0|2,0,1]=4 3422 B12R0.234 CCCCOCCNCCS(=O)C 647ec6677119474ed5f365fc1f329bb3 [0,1,0,0,0,0|3,0,0]=4 3423 B12R0.234 CCCCOCCNCCS(=O)O 8aca5a01e9de70f7056e6bf12f63490f [0,1,0,0,0,0|2,0,0]=3 3424 B12R0.234 CCCCOCCNCC[C@@H](C)O 08606b1d55914bff068edbbac9af3a9f [0,1,0,0,0,0|2,0,1]=4 3425 B12R0.234 CCCCOCCNCC[C@H](C)O 7963b48b3f9c0a75253370e650b5ba9f [0,1,0,0,0,0|2,0,1]=4 3426 B12R0.234 CCCCOCCNCOC(=O)C 92978932460913b47d645cd12ab84fc9 [0,1,0,0,0,0|3,0,0]=4 3427 B12R0.234 CCCCOCCNCSC(=O)N 216fc71ab172442ffe1c21385713a984 [0,1,0,0,0,0|3,0,0]=4 3428 B12R0.234 CCCCOCCOCCC(=O)C 2e987d042eb30a74e34aca0f530f532e [0,1,0,0,0,0|2,0,0]=3 3429 B12R0.234 CCCCOCCOCCC(=O)N 7995b8824d2b6bca5c2553b057b056ef [0,1,0,0,0,0|2,0,0]=3 3430 B12R0.234 CCCCOCCOCCC(=O)O 06651b3d6c7d50fdd63f3da56610e8bd [0,1,0,0,0,0|1,0,0]=2 3431 B12R0.234 CCCCOCCOCCS(=O)C c209aa889991648ab8e9e39ab89dd203 [0,1,0,0,0,0|3,0,0]=4 3432 B12R0.234 CCCCOCCOCC[N+](=O)[O-] 955caba200f0bf9591ccf8507c347040 [0,1,0,0,0,0|2,0,1]=4 3433 B12R0.234 CCCCOCCOCNC(=O)C 4282effe747f686b616a36425aa346e9 [0,1,0,0,0,0|3,0,0]=4 3434 B12R0.234 CCCCOCCOCNC(=O)N 2547015e2d4fb535cd8b65408a49f498 [0,1,0,0,0,0|3,0,0]=4 3435 B12R0.234 CCCCOCCOCOC(=O)C 84be75fbc1bf8a09a8a010dccf31dede [0,1,0,0,0,0|3,0,0]=4 3436 B12R0.234 CCCCOCCOCSC(=O)N 528cce834873618e94cb67b77fb80bc3 [0,1,0,0,0,0|3,0,0]=4 3437 B12R0.234 CCCCOCNC/C=C/C(=O)O e77e8528df6646799820ed0f6bc4f6bd [0,1,0,0,0,0|1,0,2]=4 3438 B12R0.234 CCCCOCNCC#CC(=O)O 64317700f7988811b1fcf22639545648 [0,1,0,0,0,0|1,0,2]=4 3439 B12R0.234 CCCCOCNCC=CC(=O)O c2eb3769e8ef17da34d136546d66fbed [0,1,0,0,0,0|1,0,2]=4 3440 B12R0.234 CCCCOCNCCCC(=O)N b58cdcaf44bd682fcee939ee1f8f0d25 [0,1,0,0,0,0|2,0,0]=3 3441 B12R0.234 CCCCOCNCCCC(=O)O d966949497b948766089b02bcfbfc57c [0,1,0,0,0,0|1,0,0]=2 3442 B12R0.234 CCCCOCNCCCS(=O)C c9c5e3f9893b110fbc6fb67a2a291529 [0,1,0,0,0,0|3,0,0]=4 3443 B12R0.234 CCCCOCNCCNC(=O)C 7959e8f8f1b3564a0d77f7133256c5b4 [0,1,0,0,0,0|3,0,0]=4 3444 B12R0.234 CCCCOCOC/C=C/C(=O)O 7c24b816a3d5c86ed5dc377984f03d09 [0,1,0,0,0,0|1,0,2]=4 3445 B12R0.234 CCCCOCOCC#CC(=O)O 8eea9e3808f01ad9b4fefb3a0a76484c [0,1,0,0,0,0|1,0,2]=4 3446 B12R0.234 CCCCOCOCC=CC(=O)O a37dfa9b440162fcd6108306ffca6d9e [0,1,0,0,0,0|1,0,2]=4 3447 B12R0.234 CCCCOCOCCCC(=O)C 745f68690e083e17f4b8ddba1322c5d1 [0,1,0,0,0,0|2,0,0]=3 3448 B12R0.234 CCCCOCOCCCC(=O)N 0111fa1f5ba2958dfe65dc949ab01ce1 [0,1,0,0,0,0|2,0,0]=3 3449 B12R0.234 CCCCOCOCCC[N+](=O)[O-] c744840fabf4f81b831f8a6a253233f7 [0,1,0,0,0,0|2,0,1]=4 3450 B12R0.234 CCCCOCOCCNC(=O)C 51e7e45550d35ddc6c50f9d829231c93 [0,1,0,0,0,0|3,0,0]=4 3451 B12R0.234 CCCCOCOCCNC(=O)N a010bdaea922cf78add664ae68171f00 [0,1,0,0,0,0|3,0,0]=4 3452 B12R0.234 CCCCOCOCCOC(=O)C a205e868d792d84a74c5c953454f94c5 [0,1,0,0,0,0|3,0,0]=4 3453 B12R0.234 CCCCSCCOCCC(=O)C b2a245b991751e58aecf0db65c213523 [0,1,0,0,0,0|2,0,0]=3 3454 B12R0.234 CCCCSCCOCCC(=O)N 9887e048c4573cee87e0167f4081ddaf [0,1,0,0,0,0|2,0,0]=3 3455 B12R0.234 CCCCSCCOCCC(=O)O 53cf1c591dd0a8c6a5ee5391058651db [0,1,0,0,0,0|1,0,0]=2 3456 B12R0.234 CCCCSCCOCCS(=O)C 56719f3c1fa3befffbfb1d78db6fd4e6 [0,1,0,0,0,0|3,0,0]=4 3457 B12R0.234 CCCCSCCOCOC(=O)C 12a028c1e401a7af2ffcd486dffe0473 [0,1,0,0,0,0|3,0,0]=4 3458 B12R0.234 CCCCSCCOCSC(=O)N d9830421bbf628be49691760c1c7551d [0,1,0,0,0,0|3,0,0]=4 3459 B12R0.234 CCCNCCCCCCC(=O)O 1209be85d19fc9719e4624682259ccba [0,1,0,0,0,0|0,0,0]=1 3460 B12R0.234 CCCNCCCCCCC(C)C d7915ed383ba5e074a9ffc806e43e909 [0,1,0,0,0,0|2,0,1]=4 3461 B12R0.234 CCCNCCCCCCN(C)C 0ee71153936628fbfeb891505cc8f84a [0,1,0,0,0,0|3,0,0]=4 3462 B12R0.234 CCCNCCCCCNC(=O)C ab9c60e4b91e58e673834d52f662a13a [0,1,0,0,0,0|2,0,0]=3 3463 B12R0.234 CCCNCCCCCOC(=O)C 86f3cb4f3ed2e6d4645252403d41984d [0,1,0,0,0,0|2,0,0]=3 3464 B12R0.234 CCCNCCCSCCC(=O)N e02ee3a94228fcac0b59282c803a4cf3 [0,1,0,0,0,0|2,0,0]=3 3465 B12R0.234 CCCNCCOCCOC(=O)C 830f51e8346d053371782aae752b5b2a [0,1,0,0,0,0|3,0,0]=4 3466 B12R0.234 CCCNCCSSCCC(=O)O 43854f4c9bf4a8df0be4b4d481680e86 [0,1,0,0,0,0|2,0,0]=3 3467 B12R0.234 CCCOCCCCCCC(=O)N ef902ab8dc24827b5e068c394e3cd23d [0,1,0,0,0,0|1,0,0]=2 3468 B12R0.234 CCCOCCCCCCC(=O)O 184e565df245740558281f57f62af0c1 [0,1,0,0,0,0|0,0,0]=1 3469 B12R0.234 CCCOCCCCCCC(C)C a6616e1411b449c54de8055468b842fa [0,1,0,0,0,0|2,0,1]=4 3470 B12R0.234 CCCOCCCCCCN(C)C b73263233d01cc44c65004580738c760 [0,1,0,0,0,0|3,0,0]=4 3471 B12R0.234 CCCOCCCCCOC(=O)C c356f5294116b3c40b30bb21c8d17d81 [0,1,0,0,0,0|2,0,0]=3 3472 B12R0.234 CCCOCCCNCCC(=O)C 9c3e15a43858373c69bea829ac489ba7 [0,1,0,0,0,0|2,0,0]=3 3473 B12R0.234 CCCOCCCNCCC(=O)N 51859dd69979936bd6644b6b93ee0b8f [0,1,0,0,0,0|2,0,0]=3 3474 B12R0.234 CCCOCCCNCCC(=O)O bc30ee6084eb1b212083b8e6b0f24988 [0,1,0,0,0,0|1,0,0]=2 3475 B12R0.234 CCCOCCCNCCC(=S)N 924622150f373383e55f49f126146c01 [0,1,0,0,0,0|2,1,0]=4 3476 B12R0.234 CCCOCCCNCCC(C)O c665d7241ba38f4e58627a40b33811e9 [0,1,0,0,0,0|2,0,1]=4 3477 B12R0.234 CCCOCCCNCCS(=O)C 04c7b8df0fe0cd6aed18e863dd99dc5c [0,1,0,0,0,0|3,0,0]=4 3478 B12R0.234 CCCOCCCNCCS(=O)O c3e5de82c786ce0d4afad2bba2864446 [0,1,0,0,0,0|2,0,0]=3 3479 B12R0.234 CCCOCCCNCC[C@@H](C)O df617d825756d948c41cadd9d8639f83 [0,1,0,0,0,0|2,0,1]=4 3480 B12R0.234 CCCOCCCNCC[C@H](C)O 645189ec88e77e91f0e27ffac4140546 [0,1,0,0,0,0|2,0,1]=4 3481 B12R0.234 CCCOCCCNCOC(=O)C d7bba90e24dfd1003eeb932c96e64a65 [0,1,0,0,0,0|3,0,0]=4 3482 B12R0.234 CCCOCCCNCSC(=O)N ebba7c88ee5e71247b3ac1799ddf652e [0,1,0,0,0,0|3,0,0]=4 3483 B12R0.234 CCCOCCCOCCC(=O)C a00458fb677067a25f5df9ae1c30cc80 [0,1,0,0,0,0|2,0,0]=3 3484 B12R0.234 CCCOCCCOCCC(=O)N 1bd2d2136f5fd212780b756ecdab59b0 [0,1,0,0,0,0|2,0,0]=3 3485 B12R0.234 CCCOCCCOCCC(=O)O 87e582f681f002dac15a7b47db923ba0 [0,1,0,0,0,0|1,0,0]=2 3486 B12R0.234 CCCOCCCOCCS(=O)C 3be6fd864310ec2030176a85518d7c82 [0,1,0,0,0,0|3,0,0]=4 3487 B12R0.234 CCCOCCCOCC[N+](=O)[O-] fe3a82c2041a6e9217462cbbca82ac39 [0,1,0,0,0,0|2,0,1]=4 3488 B12R0.234 CCCOCCCOCNC(=O)C 74f12b5eb1d2004604844129688ed0a5 [0,1,0,0,0,0|3,0,0]=4 3489 B12R0.234 CCCOCCCOCNC(=O)N 5cf59c4299b498fb80210f6c5a41fc86 [0,1,0,0,0,0|3,0,0]=4 3490 B12R0.234 CCCOCCNC/C=C/C(=O)O 7fc15fcb49d7a035f8e3019d2384a8e7 [0,1,0,0,0,0|1,0,2]=4 3491 B12R0.234 CCCOCCNCC#CC(=O)O 7d217b156805a1301254c28a5ebae41d [0,1,0,0,0,0|1,0,2]=4 3492 B12R0.234 CCCOCCNCC=CC(=O)O 39bab1c190e531865cfd2fe84aec7108 [0,1,0,0,0,0|1,0,2]=4 3493 B12R0.234 CCCOCCNCCCC(=O)C 57de64e9c60c6d15db0801cec9cf0c77 [0,1,0,0,0,0|2,0,0]=3 3494 B12R0.234 CCCOCCNCCCC(=O)N 5f76821d3ac7889ac880ed4cdc71e8d5 [0,1,0,0,0,0|2,0,0]=3 3495 B12R0.234 CCCOCCNCCCC(=O)O 58748e67afd65f8ee33cfaf962060503 [0,1,0,0,0,0|1,0,0]=2 3496 B12R0.234 CCCOCCNCCCC(C)O 2110847c5c732bc610c37e009c7ada5c [0,1,0,0,0,0|2,0,1]=4 3497 B12R0.234 CCCOCCNCCCS(=O)C db5e5995306e5fb349a43ee61a53bede [0,1,0,0,0,0|3,0,0]=4 3498 B12R0.234 CCCOCCNCCC[N+](=O)[O-] e71f11695fdbcfaf53e0f03523806f51 [0,1,0,0,0,0|2,0,1]=4 3499 B12R0.234 CCCOCCNCCNC(=O)C 85401a470808d81bdd8f3f1a4d4c9c31 [0,1,0,0,0,0|3,0,0]=4 3500 B12R0.234 CCCOCCNCCNC(=O)N 64c8b63d09ad87abf8ed09ce30a09e37 [0,1,0,0,0,0|3,0,0]=4 3501 B12R0.234 CCCOCCNCCOC(=O)C 13ef89d84710061fd3a6fe7053db53de [0,1,0,0,0,0|3,0,0]=4 3502 B12R0.234 CCCOCCNCCSC(=O)C 128804571e032596e2dc3367a574ea62 [0,1,0,0,0,0|3,0,0]=4 3503 B12R0.234 CCCOCCOC/C=C/C(=O)O b35908a59e106ff9eb36c932f19ca2ea [0,1,0,0,0,0|1,0,2]=4 3504 B12R0.234 CCCOCCOCC#CC(=O)O 576527d39f3735fc5131a876186a74db [0,1,0,0,0,0|1,0,2]=4 3505 B12R0.234 CCCOCCOCC=CC(=O)O c2422e637fe160a3e4860c72dcd20b47 [0,1,0,0,0,0|1,0,2]=4 3506 B12R0.234 CCCOCCOCCCC(=O)C 2aceabe2371d0a983823296fde45f557 [0,1,0,0,0,0|2,0,0]=3 3507 B12R0.234 CCCOCCOCCCC(=O)N 1900a68c6a73b9fcb6c426a37c075d7a [0,1,0,0,0,0|2,0,0]=3 3508 B12R0.234 CCCOCCOCCCC(=O)O b32c954526a75429343840be31066d1b [0,1,0,0,0,0|1,0,0]=2 3509 B12R0.234 CCCOCCOCCC[N+](=O)[O-] 3d38e4630b75f32f62dd15ba04330d5a [0,1,0,0,0,0|2,0,1]=4 3510 B12R0.234 CCCOCCOCCNC(=O)C a0896467f4710c730aeaac1f337e0153 [0,1,0,0,0,0|3,0,0]=4 3511 B12R0.234 CCCOCCOCCNC(=O)N 359083744c255b025d34e68953fa077d [0,1,0,0,0,0|3,0,0]=4 3512 B12R0.234 CCCOCCOCCOC(=O)C 84fcb75ade6b9aba6328e4e17202ac56 [0,1,0,0,0,0|3,0,0]=4 3513 B12R0.234 CCCOCCOCCSC(=O)C cbe4b584423f86e4bf3faf9e2bd29478 [0,1,0,0,0,0|3,0,0]=4 3514 B12R0.234 CCCOCCSSCCC(=O)O ec1e93377322b40adcd8e89d0b8d19e8 [0,1,0,0,0,0|2,0,0]=3 3515 B12R0.234 CCCSCCCCNCC(=O)N 8746b557eb4efe71af1d3a08df5f53f0 [0,1,0,0,0,0|2,0,0]=3 3516 B12R0.234 CCCSCCCCNCC(=O)O 0da3477e4390f108ab97359526f8a78b [0,1,0,0,0,0|1,0,0]=2 3517 B12R0.234 CCCSCCCCNCC(C)O bd13b69612da07515c70ea07cc9ed749 [0,1,0,0,0,0|2,0,1]=4 3518 B12R0.234 CCCSCCCCNC[C@@H](C)O b6b6583078503dbc17efe78aa1e922a2 [0,1,0,0,0,0|2,0,1]=4 3519 B12R0.234 CCCSCCCCNC[C@H](C)O 4eb9e2cf78056585403cf087edab879b [0,1,0,0,0,0|2,0,1]=4 3520 B12R0.234 CCCSCCCCNC[N+](=O)[O-] 972e71fb2d553bae568c231c1e52e989 [0,1,0,0,0,0|2,0,1]=4 3521 B12R0.234 CCCSCCOC/C=C/C(=O)O fdfccd5ee288afa8d2285003957a99e0 [0,1,0,0,0,0|1,0,2]=4 3522 B12R0.234 CCCSCCOCC=CC(=O)O 8d43f4109343cb134db6f63730b59f83 [0,1,0,0,0,0|1,0,2]=4 3523 B12R0.234 CCCSCCOCCCC(=O)C d85fe65ee007d3a4d2d28243a01bfe29 [0,1,0,0,0,0|2,0,0]=3 3524 B12R0.234 CCCSCCOCCCC(=O)N cca01179b976219496572863c5bcc8f5 [0,1,0,0,0,0|2,0,0]=3 3525 B12R0.234 CCCSCCOCCCC(=O)O 0b7965f5e8a8094662e4e26f784e2bf0 [0,1,0,0,0,0|1,0,0]=2 3526 B12R0.234 CCCSCCOCCC[N+](=O)[O-] c7e084e3b3e7f841e064b45801b1b8b2 [0,1,0,0,0,0|2,0,1]=4 3527 B12R0.234 CCCSCCOCCNC(=O)C e636fe61dc3c12f0ebd78a41eea88dfa [0,1,0,0,0,0|3,0,0]=4 3528 B12R0.234 CCCSCCOCCNC(=O)N 3dfadceb1e042f82c783b4b5693b178c [0,1,0,0,0,0|3,0,0]=4 3529 B12R0.234 CCCSCCOCCOC(=O)C 51e40f43a52df816918bcca3a48fe848 [0,1,0,0,0,0|3,0,0]=4 3530 B12R0.234 CCCSCCOCCSC(=O)C d00d4fb3aeca0913d8e85bb81ef4e252 [0,1,0,0,0,0|3,0,0]=4 3531 B12R0.234 CCNCCCCCCCC(=O)O 4129974f68a0ceef8ab0e96914078837 [0,1,0,0,0,0|0,0,0]=1 3532 B12R0.234 CCNCCCCCCCN(C)C d334c529678847991a1100d581880626 [0,1,0,0,0,0|3,0,0]=4 3533 B12R0.234 CCNCCCCCCNC(=O)C 9d04a9f9bb66debe9b608169577b565c [0,1,0,0,0,0|2,0,0]=3 3534 B12R0.234 CCNCCOCCCCC(=O)O a68d1a4ab9fdb85eaaee1e8610c4f41b [0,1,0,0,0,0|1,0,0]=2 3535 B12R0.234 CCNCCOCCOCC(=O)O 358f8d44ade3261f95935c5fcf2eb0d0 [0,1,0,0,0,0|2,0,0]=3 3536 B12R0.234 CCOCCCCCCCC(=O)C 84451fa23ed3e3143a5a1d446125857e [0,1,0,0,0,0|1,0,0]=2 3537 B12R0.234 CCOCCCCCCCC(=O)O 46aa100c5035c7dc38e92b0892435701 [0,1,0,0,0,0|0,0,0]=1 3538 B12R0.234 CCOCCCCCCCC(C)C 626ed2c7256a41d21f10aff0ef8f5df5 [0,1,0,0,0,0|2,0,1]=4 3539 B12R0.234 CCOCCCNC/C=C/C(=O)O d70b37d583b2eaf35794031c3c171512 [0,1,0,0,0,0|1,0,2]=4 3540 B12R0.234 CCOCCCNCC#CC(=O)O caaf78b3db4dabf6253244ee9f3f993c [0,1,0,0,0,0|1,0,2]=4 3541 B12R0.234 CCOCCCNCC=CC(=O)O 87f267b91233bbf05cb2847504e594a8 [0,1,0,0,0,0|1,0,2]=4 3542 B12R0.234 CCOCCCNCCCC(=O)C 4c60505495c8b0fd1baf5e9404731703 [0,1,0,0,0,0|2,0,0]=3 3543 B12R0.234 CCOCCCNCCCC(=O)N c459aeb905b284a183712de248961769 [0,1,0,0,0,0|2,0,0]=3 3544 B12R0.234 CCOCCCNCCCC(=O)O aabf0aae26aed3b3b8b48b20d42125b8 [0,1,0,0,0,0|1,0,0]=2 3545 B12R0.234 CCOCCCNCCCC(C)O 1a1a61e4a4aa4028c4654ddb37d5dd27 [0,1,0,0,0,0|2,0,1]=4 3546 B12R0.234 CCOCCCNCCCS(=O)C d6ff0429175a0ee53c083fd16c16984e [0,1,0,0,0,0|3,0,0]=4 3547 B12R0.234 CCOCCCNCCC[N+](=O)[O-] 1caeeaa727ecdb45bcdee306c2c895a3 [0,1,0,0,0,0|2,0,1]=4 3548 B12R0.234 CCOCCCNCCNC(=O)C b3185ae7cd78e8d671385653a573933a [0,1,0,0,0,0|3,0,0]=4 3549 B12R0.234 CCOCCCNCCNC(=O)N 26fe889ef15480431ee851caf50ad3d1 [0,1,0,0,0,0|3,0,0]=4 3550 B12R0.234 CCOCCCNCCOC(=O)C 251e089e3a72cbc7a4a337dd3acd8995 [0,1,0,0,0,0|3,0,0]=4 3551 B12R0.234 CCOCCCNCCSC(=O)C 355a5bbe292189e7b264d93b38cd10e6 [0,1,0,0,0,0|3,0,0]=4 3552 B12R0.234 CCOCCCOC/C=C/C(=O)O 97b4a6884f8ea7128068d9e313974f93 [0,1,0,0,0,0|1,0,2]=4 3553 B12R0.234 CCOCCCOCC#CC(=O)O dd0191dc05cc3c2c10d2105e6b83082f [0,1,0,0,0,0|1,0,2]=4 3554 B12R0.234 CCOCCCOCC=CC(=O)O 621c4f09976763105636fb26eefb13e2 [0,1,0,0,0,0|1,0,2]=4 3555 B12R0.234 CCOCCCOCCCC(=O)C 97e5b8446d0631529afc9074cb4aa7c6 [0,1,0,0,0,0|2,0,0]=3 3556 B12R0.234 CCOCCCOCCCC(=O)N 38e5282fcadca5045575b5644fc741ab [0,1,0,0,0,0|2,0,0]=3 3557 B12R0.234 CCOCCCOCCC[N+](=O)[O-] fc6023a215e43040603f527807692e1a [0,1,0,0,0,0|2,0,1]=4 3558 B12R0.234 CCOCCCOCCNC(=O)C 8fd065d78500ce52a28c19a1f4f57bee [0,1,0,0,0,0|3,0,0]=4 3559 B12R0.234 CCOCCCOCCNC(=O)N 8e4aeee5f469749be18b6b2acd433964 [0,1,0,0,0,0|3,0,0]=4 3560 B12R0.234 CCOCCCOCCOC(=O)C c3ff47f7c85cdf45764cb1dc6ce72925 [0,1,0,0,0,0|3,0,0]=4 3561 B12R0.234 CCOCCCOCCSC(=O)C 9b347472723c33cff6bd194d1f960be4 [0,1,0,0,0,0|3,0,0]=4 3562 B12R0.234 CCOCCNCCCCC(=O)C 9c2d7ce2a322d26c6550a45085cfbead [0,1,0,0,0,0|2,0,0]=3 3563 B12R0.234 CCOCCNCCCCC(=O)N 19f2a18e84bb8532e7b41f23f9be11bb [0,1,0,0,0,0|2,0,0]=3 3564 B12R0.234 CCOCCNCCCCC(=O)O e3f1921429e30bff944aeee3a1049192 [0,1,0,0,0,0|1,0,0]=2 3565 B12R0.234 CCOCCNCCCCC(C)O fc7186f724a4526974058140742b6e7e [0,1,0,0,0,0|2,0,1]=4 3566 B12R0.234 CCOCCNCCCC[C@@H](C)O 778954741c4d92f8a8c72336db5719b6 [0,1,0,0,0,0|2,0,1]=4 3567 B12R0.234 CCOCCNCCCNC(=O)C d37e2dc55c233e59ad803019efae45f6 [0,1,0,0,0,0|3,0,0]=4 3568 B12R0.234 CCOCCNCCCOC(=O)C 17735a526771fc38cc58e268c05d3bfa [0,1,0,0,0,0|3,0,0]=4 3569 B12R0.234 CCOCCNCCCSC(=O)C 92619f371cdb0531451be6c512022352 [0,1,0,0,0,0|3,0,0]=4 3570 B12R0.234 CCOCCNCCOCC(=O)N 1b0b8819c3941acd246e97652021436e [0,1,0,0,0,0|3,0,0]=4 3571 B12R0.234 CCOCCNCCOCC(=O)O 74e81224b5d7a092fe6c083c5a00a871 [0,1,0,0,0,0|2,0,0]=3 3572 B12R0.234 CCOCCNCCSCC(=O)O 6e0800804a3d437e1187dcdd76dc66a7 [0,1,0,0,0,0|2,0,0]=3 3573 B12R0.234 CCOCCOCCC#CC(=O)O fe53f18f83be43589800bc45369fe9e4 [0,1,0,0,0,0|1,0,2]=4 3574 B12R0.234 CCOCCOCCCCC(=O)C 814c6073a47153c07d099fb3579f1b9e [0,1,0,0,0,0|2,0,0]=3 3575 B12R0.234 CCOCCOCCCCC(=O)N ad1f25e91dec633756357dc3bc838243 [0,1,0,0,0,0|2,0,0]=3 3576 B12R0.234 CCOCCOCCCCC(=O)O 51a3a3dee25f63833a78d48ec8935c36 [0,1,0,0,0,0|1,0,0]=2 3577 B12R0.234 CCOCCOCCCC[N+](=O)[O-] 5b183dac36d6dff52d6e25314af4fc54 [0,1,0,0,0,0|2,0,1]=4 3578 B12R0.234 CCOCCOCCCNC(=O)C 6181fcc56f0af36732ebd9e1b1b1a317 [0,1,0,0,0,0|3,0,0]=4 3579 B12R0.234 CCOCCOCCCOC(=O)C de7adbda2adf423cf997b01ae85f1d16 [0,1,0,0,0,0|3,0,0]=4 3580 B12R0.234 CCOCCOCCCSC(=O)C 5eede1f9ac1815334dc00acd3636a892 [0,1,0,0,0,0|3,0,0]=4 3581 B12R0.234 CCOCCOCCNCC(=O)C bc38f1ef5dc9cd1b1f765ca7a1d667bf [0,1,0,0,0,0|3,0,0]=4 3582 B12R0.234 CCOCCOCCNCC(=O)N 8208ff139c2f948b5c533d5cf52a2016 [0,1,0,0,0,0|3,0,0]=4 3583 B12R0.234 CCOCCOCCNCC(=O)O 7032cef2053504becde58a25e688f58c [0,1,0,0,0,0|2,0,0]=3 3584 B12R0.234 CCOCCOCCOCC(=O)C 4d630a11a248b98fca3e4a68413384dd [0,1,0,0,0,0|3,0,0]=4 3585 B12R0.234 CCOCCOCCOCC(=O)N e3bb35155e18944ea2a60cb7ceb3ba98 [0,1,0,0,0,0|3,0,0]=4 3586 B12R0.234 CCOCCOCCOCC(=O)O 28cc98292b2dbcf82bf95f6d3127f3df [0,1,0,0,0,0|2,0,0]=3 3587 B12R0.234 CCOCCOCCOCS(=O)O 6bd46dd0b2a6b4661b6c2fe90249c82e [0,1,0,0,0,0|3,0,0]=4 3588 B12R0.234 CCOCCOCCSCC(=O)N df37b97890f61d43313d8bc0721ce37f [0,1,0,0,0,0|3,0,0]=4 3589 B12R0.234 CCOCNCCCCCC(=O)N 677c2acccf10b521e3fce099e66454da [0,1,0,0,0,0|2,0,0]=3 3590 B12R0.234 CCOCNCCCCNC(=O)C 44fd27b520e80c75d0b192a440d5e593 [0,1,0,0,0,0|3,0,0]=4 3591 B12R0.234 CCOCNCCOCCC(=O)O ea6de2b0a4d276efe0b335e821fdfeff [0,1,0,0,0,0|2,0,0]=3 3592 B12R0.234 CCOCOCCCCCC(=O)N 1953240cc6336bbe49e8eb81a535a807 [0,1,0,0,0,0|2,0,0]=3 3593 B12R0.234 CCOCOCCCCOC(=O)C 282689ab9aa78171c33207d57baf2846 [0,1,0,0,0,0|3,0,0]=4 3594 B12R0.234 CCOCOCCOCCC(=O)O 91ac49bd071f2b07facd5b343af17914 [0,1,0,0,0,0|2,0,0]=3 3595 B12R0.234 CCSCCCCNCCC(=O)C 15a3d379ff94616ef09ab310b567ab1c [0,1,0,0,0,0|2,0,0]=3 3596 B12R0.234 CCSCCCCNCCC(=O)N e4e8285dde08bafb3667de3ac52ab870 [0,1,0,0,0,0|2,0,0]=3 3597 B12R0.234 CCSCCCCNCCC(=O)O 9317d4e277694d924792c143e2cee2b2 [0,1,0,0,0,0|1,0,0]=2 3598 B12R0.234 CCSCCCCNCCC(C)O 151b06319c8eed79ae4322500baa3cd9 [0,1,0,0,0,0|2,0,1]=4 3599 B12R0.234 CCSCCCCNCCS(=O)C 963d91a6304435029ee3e4f622dad9cb [0,1,0,0,0,0|3,0,0]=4 3600 B12R0.234 CCSCCCCNCOC(=O)C eb8d52b85beb1950419a839784e307ec [0,1,0,0,0,0|3,0,0]=4 3601 B12R0.234 CCSCCCCNCSC(=O)N 44bfa289738c57b3c11d4f9e766b492a [0,1,0,0,0,0|3,0,0]=4 3602 B12R0.234 CCSCCCNC/C=C/C(=O)O 9ca7b4a5dd7be221a3dbdc219f0d0e1f [0,1,0,0,0,0|1,0,2]=4 3603 B12R0.234 CCSCCCNCC#CC(=O)O 1c9901c9d6699495d030322fff2aae27 [0,1,0,0,0,0|1,0,2]=4 3604 B12R0.234 CCSCCCNCC=CC(=O)O 122a856489b19b411cc4a6f6efd0c990 [0,1,0,0,0,0|1,0,2]=4 3605 B12R0.234 CCSCCCNCCCC(=O)N 306adc0959012ff67d71f4376d406ad7 [0,1,0,0,0,0|2,0,0]=3 3606 B12R0.234 CCSCCCNCCNC(=O)C c7f95fbb5367e68648afa3e55ffe81b3 [0,1,0,0,0,0|3,0,0]=4 3607 B12R0.234 CCSCCCOC/C=C/C(=O)O d219dedb866901e0e46fc8144a80426e [0,1,0,0,0,0|1,0,2]=4 3608 B12R0.234 CCSCCCOCC#CC(=O)O 6c612bad0a7ed0f4d6916ca1533005eb [0,1,0,0,0,0|1,0,2]=4 3609 B12R0.234 CCSCCCOCC=CC(=O)O 8eadced9012f6df6f1ed8e6752d24b02 [0,1,0,0,0,0|1,0,2]=4 3610 B12R0.234 CCSCCCOCCCC(=O)C 523dec3073a6dc56bb0753c021a3fb61 [0,1,0,0,0,0|2,0,0]=3 3611 B12R0.234 CCSCCCOCCCC(=O)N 44c85f5c58ace692ef3a063bab578f73 [0,1,0,0,0,0|2,0,0]=3 3612 B12R0.234 CCSCCCOCCC[N+](=O)[O-] cc5cd4d2cc7f90c29393953ec24d2636 [0,1,0,0,0,0|2,0,1]=4 3613 B12R0.234 CCSCCCOCCNC(=O)C e99c916bbb45d7b1edf535114871d3e5 [0,1,0,0,0,0|3,0,0]=4 3614 B12R0.234 CCSCCCOCCNC(=O)N 8ae2c91587d25ad1ade53630270bfb9e [0,1,0,0,0,0|3,0,0]=4 3615 B12R0.234 CCSCCCOCCOC(=O)C a27084f23feda0063a8690842c345bf3 [0,1,0,0,0,0|3,0,0]=4 3616 B12R0.234 CCSCCCOCCSC(=O)C 28c866e446172c5770943f9c8e9f5147 [0,1,0,0,0,0|3,0,0]=4 3617 B12R0.234 CCSCCNCCCCC(=O)C 4fd65665d0a24b40f25630b428894bb0 [0,1,0,0,0,0|2,0,0]=3 3618 B12R0.234 CCSCCNCCCCC(=O)N 55ed8b1d89bcc3a4abb73653de3008e5 [0,1,0,0,0,0|2,0,0]=3 3619 B12R0.234 CCSCCNCCCCC(C)O 038e96a1992be7f7b21328c3f7c62bee [0,1,0,0,0,0|2,0,1]=4 3620 B12R0.234 CCSCCNCCCC[C@@H](C)O cb6b5caae5f5c5e98ba0b852681e4aaf [0,1,0,0,0,0|2,0,1]=4 3621 B12R0.234 CCSCCNCCCNC(=O)C ecc37977c45936c65ac263d075666774 [0,1,0,0,0,0|3,0,0]=4 3622 B12R0.234 CCSCCNCCCOC(=O)C bd32a92efe373f026576652ec450a707 [0,1,0,0,0,0|3,0,0]=4 3623 B12R0.234 CCSCCNCCCSC(=O)C d46519a0efc9177a20a9690e986153fe [0,1,0,0,0,0|3,0,0]=4 3624 B12R0.234 CCSCCNCCOCC(=O)N b937ec2507061e47fc723de48b751385 [0,1,0,0,0,0|3,0,0]=4 3625 B12R0.234 CCSCCNCCOCC(=O)O 49fcc644c3a83bd06de7a715bc904180 [0,1,0,0,0,0|2,0,0]=3 3626 B12R0.234 CCSCCNCCSCC(=O)O f2db963d14ff283c5235be2ac8cac455 [0,1,0,0,0,0|2,0,0]=3 3627 B12R0.234 CCSCCOCCC#CC(=O)O 19ea376d3e9ac1e9ed2c3c305a9f788a [0,1,0,0,0,0|1,0,2]=4 3628 B12R0.234 CCSCCOCCCCC(=O)C 1230254a8fd499acf755f6d9996e6254 [0,1,0,0,0,0|2,0,0]=3 3629 B12R0.234 CCSCCOCCCCC(=O)N 0985b4e96f0fb10103fb90593073c8c8 [0,1,0,0,0,0|2,0,0]=3 3630 B12R0.234 CCSCCOCCCCC(=O)O 3cf801f8efc32fbba70f9dba41718e24 [0,1,0,0,0,0|1,0,0]=2 3631 B12R0.234 CCSCCOCCCC[N+](=O)[O-] a22c446d159d38b3a405274339b5854d [0,1,0,0,0,0|2,0,1]=4 3632 B12R0.234 CCSCCOCCCNC(=O)C 74ddf74d30d9b7a2c566bff59caf970b [0,1,0,0,0,0|3,0,0]=4 3633 B12R0.234 CCSCCOCCCOC(=O)C 903707072b7239c666a2c871c6ca2e32 [0,1,0,0,0,0|3,0,0]=4 3634 B12R0.234 CCSCCOCCCSC(=O)C 4ec75836ac9a14300569276b9b6f91a3 [0,1,0,0,0,0|3,0,0]=4 3635 B12R0.234 CCSCCOCCOCC(=O)N 2b813f3110aa637cc49cc8226b482a5c [0,1,0,0,0,0|3,0,0]=4 3636 B12R0.234 CCSCCOCCOCC(=O)O 74026a65ec0d548587eee1562d8b1f5d [0,1,0,0,0,0|2,0,0]=3 3637 B12R0.234 CCSCCOCCSCC(=O)N 2e6e895a75f4976d484399671ff1988d [0,1,0,0,0,0|3,0,0]=4 3638 B12R0.234 COCCCCCCNCC(=O)C 6ded7bbf54f621d40a66c00548f4c7a2 [0,1,0,0,0,0|2,0,0]=3 3639 B12R0.234 COCCCCCCNCC(=O)N 5dd2dca06c124c746be827c1901a1e6c [0,1,0,0,0,0|2,0,0]=3 3640 B12R0.234 COCCCCCCNCC(=O)O f095c5fe8da3849c62aafe0120fdfd58 [0,1,0,0,0,0|1,0,0]=2 3641 B12R0.234 COCCCCCCNCC(C)O 0c1a80b9848aa56fc3325b6661784652 [0,1,0,0,0,0|2,0,1]=4 3642 B12R0.234 COCCCCCCNC[C@@H](C)O 6ba8f4aab3a0a78787980b2ea9adf34e [0,1,0,0,0,0|2,0,1]=4 3643 B12R0.234 COCCCCCCNC[C@H](C)O b2a5bf398db2108a245b0be16a2afe1c [0,1,0,0,0,0|2,0,1]=4 3644 B12R0.234 COCCCCCCOCC(=O)C 11fdd94d002c4b05b7c865252b9a38b5 [0,1,0,0,0,0|2,0,0]=3 3645 B12R0.234 COCCCCCCOCC(=O)N bf24788184fbe8bc4d5a263546081bb2 [0,1,0,0,0,0|2,0,0]=3 3646 B12R0.234 COCCCCCCOCC(=O)O 2fe97127b1cbad083f930a39d2eda2c6 [0,1,0,0,0,0|1,0,0]=2 3647 B12R0.234 COCCCCCCOCC(=S)N 8978f4f28268facfd118d9423c18a0dd [0,1,0,0,0,0|2,1,0]=4 3648 B12R0.234 COCCCCCCOCS(=O)O aa255402e2de1ea43fee34ac98d4c95f [0,1,0,0,0,0|2,0,0]=3 3649 B12R0.234 COCCCCCCOC[N+](=O)[O-] c28503b2e3db3b390f85d826e9289c7a [0,1,0,0,0,0|2,0,1]=4 3650 B12R0.234 COCCCCCNCCC(=O)C 7063402c1bde25b1794b36400454b2bf [0,1,0,0,0,0|2,0,0]=3 3651 B12R0.234 COCCCCCNCCC(=O)N 227f7b383b1e0f0f8d68266221ed7a55 [0,1,0,0,0,0|2,0,0]=3 3652 B12R0.234 COCCCCCNCCC(=O)O 985fd6bd11dac98725eae11b9960863d [0,1,0,0,0,0|1,0,0]=2 3653 B12R0.234 COCCCCCNCCC(=S)N 09cba88fd5c8b197b79bd16088bd7c82 [0,1,0,0,0,0|2,1,0]=4 3654 B12R0.234 COCCCCCNCCC(C)O 26fefd78dc832e19e0142a808011a235 [0,1,0,0,0,0|2,0,1]=4 3655 B12R0.234 COCCCCCNCCS(=O)C 3bcf37628e97bb55e716fcb5ab1ea307 [0,1,0,0,0,0|3,0,0]=4 3656 B12R0.234 COCCCCCNCCS(=O)O b6c050c48c0c99411e2f1135707a4fa7 [0,1,0,0,0,0|2,0,0]=3 3657 B12R0.234 COCCCCCNCC[C@@H](C)O a2e3c33ea81775027ac1783193e12dfe [0,1,0,0,0,0|2,0,1]=4 3658 B12R0.234 COCCCCCNCC[C@H](C)O 9f381f1c3f2ef207569f2d9fc26427a2 [0,1,0,0,0,0|2,0,1]=4 3659 B12R0.234 COCCCCCNCOC(=O)C e91ea57660cbf24a0331f4794114e208 [0,1,0,0,0,0|3,0,0]=4 3660 B12R0.234 COCCCCCNCSC(=O)N 4ff9ae754453c32c4245397a5666a338 [0,1,0,0,0,0|3,0,0]=4 3661 B12R0.234 COCCCCCOCCC(=O)C 322fa71d59b27a2851173c7aeec6f538 [0,1,0,0,0,0|2,0,0]=3 3662 B12R0.234 COCCCCCOCCC(=O)N d85468eaeef3524b3e559d794a4e98ec [0,1,0,0,0,0|2,0,0]=3 3663 B12R0.234 COCCCCCOCCC(=O)O 56a45960ca3c0a931001cc460ab3f33d [0,1,0,0,0,0|1,0,0]=2 3664 B12R0.234 COCCCCCOCCS(=O)C bea56c47307f45deaa1c64ec89834f5e [0,1,0,0,0,0|3,0,0]=4 3665 B12R0.234 COCCCCCOCC[N+](=O)[O-] 2ecf8d4631235824e6ce3aadfac3031d [0,1,0,0,0,0|2,0,1]=4 3666 B12R0.234 COCCCCCOCNC(=O)C f08d2bf9b7371a3443b384b42367f237 [0,1,0,0,0,0|3,0,0]=4 3667 B12R0.234 COCCCCCOCNC(=O)N 73b24a33701b70c5b6739f12b90b46c2 [0,1,0,0,0,0|3,0,0]=4 3668 B12R0.234 COCCCCNC/C=C/C(=O)O 19d23fc16cf37e081fa7da8c57053a83 [0,1,0,0,0,0|1,0,2]=4 3669 B12R0.234 COCCCCNCC#CC(=O)O da1b1a016ccfb0088f4d9bd227975515 [0,1,0,0,0,0|1,0,2]=4 3670 B12R0.234 COCCCCNCC=CC(=O)O 37f508d8da23813687ac6f41905e5192 [0,1,0,0,0,0|1,0,2]=4 3671 B12R0.234 COCCCCNCCCC(=O)C 05aea91648bfee314e1171d6357f8acb [0,1,0,0,0,0|2,0,0]=3 3672 B12R0.234 COCCCCNCCCC(=O)N 67308d4b0bf6d8e522ebeac966a40fbc [0,1,0,0,0,0|2,0,0]=3 3673 B12R0.234 COCCCCNCCCC(=O)O 378ba6af10e84cb9188153cdab752d3b [0,1,0,0,0,0|1,0,0]=2 3674 B12R0.234 COCCCCNCCCC(C)O 56cb5a5d8dfeebb49d50d69b20a7b806 [0,1,0,0,0,0|2,0,1]=4 3675 B12R0.234 COCCCCNCCCS(=O)C ec0f38dd74b614dc3cbefc58b03266d4 [0,1,0,0,0,0|3,0,0]=4 3676 B12R0.234 COCCCCNCCC[N+](=O)[O-] a3ac5fd2b0cc50b22794726ba755f6d9 [0,1,0,0,0,0|2,0,1]=4 3677 B12R0.234 COCCCCNCCNC(=O)C cf9ce60071735aebc6a3d61b98ebfd92 [0,1,0,0,0,0|3,0,0]=4 3678 B12R0.234 COCCCCNCCNC(=O)N c067429c0e1c08dbf76bdb7d15146bc5 [0,1,0,0,0,0|3,0,0]=4 3679 B12R0.234 COCCCCNCCOC(=O)C a3755a00c062036c289e079ffb084bbf [0,1,0,0,0,0|3,0,0]=4 3680 B12R0.234 COCCCCNCCSC(=O)C 6d1c9337149899ee1021e50b239c1e82 [0,1,0,0,0,0|3,0,0]=4 3681 B12R0.234 COCCCCOC/C=C/C(=O)O 161e1b9eea9f96cd8fa16c3b8e90f8de [0,1,0,0,0,0|1,0,2]=4 3682 B12R0.234 COCCCCOCC#CC(=O)O 515cc82d82dd6635fe822d26b793af25 [0,1,0,0,0,0|1,0,2]=4 3683 B12R0.234 COCCCCOCC=CC(=O)O 75aae2cddb40d3b2bde8c2d13cb1c069 [0,1,0,0,0,0|1,0,2]=4 3684 B12R0.234 COCCCCOCCCC(=O)C 3cc17af82bef3c03d92cabe2c75cddbc [0,1,0,0,0,0|2,0,0]=3 3685 B12R0.234 COCCCCOCCCC(=O)N 51dc500112345785b5738d450c245972 [0,1,0,0,0,0|2,0,0]=3 3686 B12R0.234 COCCCCOCCCC(=O)O c5710b39c8f427a5001f16543170e263 [0,1,0,0,0,0|1,0,0]=2 3687 B12R0.234 COCCCCOCCC[N+](=O)[O-] 6ec4692618f0ea31ab34a28f8089ad6e [0,1,0,0,0,0|2,0,1]=4 3688 B12R0.234 COCCCCOCCNC(=O)C 2f8560437995480796207ee0d61a645a [0,1,0,0,0,0|3,0,0]=4 3689 B12R0.234 COCCCCOCCNC(=O)N 53528bfbcf522b5e10fde525162a1b48 [0,1,0,0,0,0|3,0,0]=4 3690 B12R0.234 COCCCCOCCOC(=O)C 8932bdc640c3eadf83c5c0daf9394181 [0,1,0,0,0,0|3,0,0]=4 3691 B12R0.234 COCCCCOCCSC(=O)C c9f3042031e505b58915212ea1c1db14 [0,1,0,0,0,0|3,0,0]=4 3692 B12R0.234 COCCCNCCCCC(=O)C 9ece99806b2ec0f2b81b07a4d000cbdf [0,1,0,0,0,0|2,0,0]=3 3693 B12R0.234 COCCCNCCCCC(=O)N 05f8e011d6332bb7b65ae8aa78373800 [0,1,0,0,0,0|2,0,0]=3 3694 B12R0.234 COCCCNCCCCC(=O)O 1f3d244bfac21b8f13497cb7e6ed0fc0 [0,1,0,0,0,0|1,0,0]=2 3695 B12R0.234 COCCCNCCCCC(C)O 28af90339005213373aa640c6928e846 [0,1,0,0,0,0|2,0,1]=4 3696 B12R0.234 COCCCNCCCC[C@@H](C)O 6e69f51b4cb8117e4c3b693f1cf67c80 [0,1,0,0,0,0|2,0,1]=4 3697 B12R0.234 COCCCNCCCNC(=O)C b91af924069890da5fb0902f2383f153 [0,1,0,0,0,0|3,0,0]=4 3698 B12R0.234 COCCCNCCCOC(=O)C 2a5ee704c9540f137e1a501ddc5fad32 [0,1,0,0,0,0|3,0,0]=4 3699 B12R0.234 COCCCNCCCSC(=O)C cebc113d17bd1d16b90366aa5a7f7eec [0,1,0,0,0,0|3,0,0]=4 3700 B12R0.234 COCCCNCCOCC(=O)N 3ff253adb569fa3baa029ee0b9e9e538 [0,1,0,0,0,0|3,0,0]=4 3701 B12R0.234 COCCCNCCOCC(=O)O 2dcbbeafc83d19d117af2f07fed61242 [0,1,0,0,0,0|2,0,0]=3 3702 B12R0.234 COCCCNCCSCC(=O)O 69d518b536ccb78a01ccb13d77f08abf [0,1,0,0,0,0|2,0,0]=3 3703 B12R0.234 COCCCOCCC#CC(=O)O 86e649c14d721f4209de41157f2af36d [0,1,0,0,0,0|1,0,2]=4 3704 B12R0.234 COCCCOCCCCC(=O)C 7ee5a36ff296efe4cbbd7037612369d4 [0,1,0,0,0,0|2,0,0]=3 3705 B12R0.234 COCCCOCCCCC(=O)N 16a4f07b4299e0399bc18b21f422a245 [0,1,0,0,0,0|2,0,0]=3 3706 B12R0.234 COCCCOCCCCC(=O)O 95cee556a34fac1cb2656b23abcf66a3 [0,1,0,0,0,0|1,0,0]=2 3707 B12R0.234 COCCCOCCCC[N+](=O)[O-] cb47a64861653077aafbd78c3ac660eb [0,1,0,0,0,0|2,0,1]=4 3708 B12R0.234 COCCCOCCCNC(=O)C a2445f7e5e6f1d97af113a8c53ce4cc2 [0,1,0,0,0,0|3,0,0]=4 3709 B12R0.234 COCCCOCCCOC(=O)C baf491909dff07b59587a325bb8da9ed [0,1,0,0,0,0|3,0,0]=4 3710 B12R0.234 COCCCOCCCSC(=O)C d5e2b337217c26ef808e915abc099641 [0,1,0,0,0,0|3,0,0]=4 3711 B12R0.234 COCCCOCCOCC(=O)N b805707a78f6359aec55a6cafe12595e [0,1,0,0,0,0|3,0,0]=4 3712 B12R0.234 COCCCOCCOCC(=O)O 5e296bd5bd2358019d7de16f7568c3e4 [0,1,0,0,0,0|2,0,0]=3 3713 B12R0.234 COCCCOCCSCC(=O)N 0c1cb04a860527b096d7c93a68624c83 [0,1,0,0,0,0|3,0,0]=4 3714 B12R0.234 COCCNCCCCCC(=O)C 394d9d9fffd5424ec4a3cf3c23f2e1ee [0,1,0,0,0,0|2,0,0]=3 3715 B12R0.234 COCCNCCCCCC(=O)N 6c883b41e2f23258c049970cf344bb1a [0,1,0,0,0,0|2,0,0]=3 3716 B12R0.234 COCCNCCCCCC(=O)O e2d32117eebdcad6203c3cc115db91b7 [0,1,0,0,0,0|1,0,0]=2 3717 B12R0.234 COCCNCCCCNC(=O)C 62316ea88f0768e8fdf4a1557e13b66a [0,1,0,0,0,0|3,0,0]=4 3718 B12R0.234 COCCNCCCCOC(=O)C 9a2ccc0e327b3928d6a8781aa9882d9d [0,1,0,0,0,0|3,0,0]=4 3719 B12R0.234 COCCNCCCCSC(=O)C 3245b3c32c34a8862d29f835ab34140e [0,1,0,0,0,0|3,0,0]=4 3720 B12R0.234 COCCNCCCOCC(=O)O ca67d8096859296143dfcf7a9de7b7dd [0,1,0,0,0,0|2,0,0]=3 3721 B12R0.234 COCCNCCOCCC(=O)O c8c0878d2dbb0982f5b32b07e16236ed [0,1,0,0,0,0|2,0,0]=3 3722 B12R0.234 COCCOCCCCCC(=O)C 32749417def69712a6da5222f141f8fa [0,1,0,0,0,0|2,0,0]=3 3723 B12R0.234 COCCOCCCCCC(=O)N 2df08f37b7b7dd97ccfffc3044e8f9ac [0,1,0,0,0,0|2,0,0]=3 3724 B12R0.234 COCCOCCCCCC(=O)O 3f1f0ee6b55aa392ed0cad8e2ca529ea [0,1,0,0,0,0|1,0,0]=2 3725 B12R0.234 COCCOCCCCNC(=O)C 1b7109e5e64124550fce21ead36a5217 [0,1,0,0,0,0|3,0,0]=4 3726 B12R0.234 COCCOCCCCOC(=O)C 6a3bbc0a8096998742a1eb671948a176 [0,1,0,0,0,0|3,0,0]=4 3727 B12R0.234 COCCOCCCCSC(=O)C a970fbf1b1040a52f34a025469b34674 [0,1,0,0,0,0|3,0,0]=4 3728 B12R0.234 COCCOCCCNCC(=O)C fdc1abe7f5ad63274942b10adb2404b5 [0,1,0,0,0,0|3,0,0]=4 3729 B12R0.234 COCCOCCCNCC(=O)N 6752c3120c8f2da710dda1b770ddb0b2 [0,1,0,0,0,0|3,0,0]=4 3730 B12R0.234 COCCOCCCNCC(=O)O d7da09ce7c19121e51bbc02e5ba9fc6f [0,1,0,0,0,0|2,0,0]=3 3731 B12R0.234 COCCOCCCOCC(=O)C e1b20026aef8bfd34acae26c9eb48d43 [0,1,0,0,0,0|3,0,0]=4 3732 B12R0.234 COCCOCCCOCC(=O)N 44ccd6bf15e3cd3000dc57921fb18249 [0,1,0,0,0,0|3,0,0]=4 3733 B12R0.234 COCCOCCCOCC(=O)O 58d84f15a26b3a6141537e1ac6b25e6f [0,1,0,0,0,0|2,0,0]=3 3734 B12R0.234 COCCOCCCOCS(=O)O 30dcd264a5891750cf32e0bb6f685998 [0,1,0,0,0,0|3,0,0]=4 3735 B12R0.234 COCCOCCNCCC(=O)C 5e013b1c3cddcd77308a89029d516658 [0,1,0,0,0,0|3,0,0]=4 3736 B12R0.234 COCCOCCNCCC(=O)N 2e534164a9b94409b108750991a35b30 [0,1,0,0,0,0|3,0,0]=4 3737 B12R0.234 COCCOCCNCCC(=O)O 7454776c74400f990ee2fe5e74a0d4b1 [0,1,0,0,0,0|2,0,0]=3 3738 B12R0.234 COCCOCCNCCS(=O)O adece7415ee1dd694b6c3fd4ee67c0f8 [0,1,0,0,0,0|3,0,0]=4 3739 B12R0.234 COCCOCCOCCC(=O)C cd644b3e5cc2dc774e4c4504bb29bbbe [0,1,0,0,0,0|3,0,0]=4 3740 B12R0.234 COCCOCCOCCC(=O)N d61c434b0c84f3fd4e7a8f517da9330a [0,1,0,0,0,0|3,0,0]=4 3741 B12R0.234 COCCOCCOCCC(=O)O 30c02b608e23e5be98a475cf16c9819f [0,1,0,0,0,0|2,0,0]=3 3742 B12R0.234 COCCOCNCCCC(=O)N 0698b54f7f62b2cbdd117cbfd43c7d78 [0,1,0,0,0,0|3,0,0]=4 3743 B12R0.234 COCCOCNCCCC(=O)O 91d059409ef98b3487cec4d87fc2ada7 [0,1,0,0,0,0|2,0,0]=3 3744 B12R0.234 COCCOCOCCCC(=O)C eb0f5f4d3fd01c9300945f1405e7242a [0,1,0,0,0,0|3,0,0]=4 3745 B12R0.234 COCCOCOCCCC(=O)N 032e1a8ac41c1eece91f537a73f8d216 [0,1,0,0,0,0|3,0,0]=4 3746 B12R0.234 COCNCCCCCCC(=O)O 940c74a48790455e40d1d357dde5f13b [0,1,0,0,0,0|1,0,0]=2 3747 B12R0.234 COCNCCCCCNC(=O)C 3b07ef0d5565cdbfa32ec2ab701fbe6c [0,1,0,0,0,0|3,0,0]=4 3748 B12R0.234 COCNCCCSCCC(=O)N a9cffa893c8c1146371cfeb47e5b9995 [0,1,0,0,0,0|3,0,0]=4 3749 B12R0.234 COCNCCSSCCC(=O)O 8d554ad1cc4d682e09d25acc46b75bfa [0,1,0,0,0,0|3,0,0]=4 3750 B12R0.234 COCOCCCCCCC(=O)N 65ea2e4a2df8550165d0f4108d6cc964 [0,1,0,0,0,0|2,0,0]=3 3751 B12R0.234 COCOCCCCCCC(=O)O 1bce7e9006649e9f53b5afd3384b03d6 [0,1,0,0,0,0|1,0,0]=2 3752 B12R0.234 COCOCCCCCOC(=O)C c0d31acbdd9ff23adfdc469c2cd295e7 [0,1,0,0,0,0|3,0,0]=4 3753 B12R0.234 COCOCCNCCCC(=O)N d4c9055006a98edf8d60ad97b00c5ff6 [0,1,0,0,0,0|3,0,0]=4 3754 B12R0.234 COCOCCNCCCC(=O)O acf92f7579bbbf0c601a7ac1a36f64f8 [0,1,0,0,0,0|2,0,0]=3 3755 B12R0.234 COCOCCOCCCC(=O)C bbc2c34344d0bcd36e887a01fa1ea12e [0,1,0,0,0,0|3,0,0]=4 3756 B12R0.234 COCOCCOCCCC(=O)N d0e86f2351213d84f454d45c598172ea [0,1,0,0,0,0|3,0,0]=4 3757 B12R0.234 COCOCCSSCCC(=O)O 852eab944a41b1f9b1c2c66cfac61cf0 [0,1,0,0,0,0|3,0,0]=4 3758 B12R0.234 CS(=O)CCCNCCCCCF 62670d865225512746b2e9e34752964a [0,1,0,0,0,0|3,0,0]=4 3759 B12R0.234 CS(=O)CCCNCCCCCO 05067c14475cfa637f732e40315501e3 [0,1,0,0,0,0|3,0,0]=4 3760 B12R0.234 CS(=O)CCNCCCCCCCl 6cac637bc05286fb9dccefb31b4b8fb1 [0,1,0,0,0,0|3,0,0]=4 3761 B12R0.234 CS(=O)CCNCCCCCCF 9254bdf21d8f402b03ddcb5bfc38bc6b [0,1,0,0,0,0|3,0,0]=4 3762 B12R0.234 CS(=O)CCNCCCCCCO 7896257acbdd9a4486e330b90c142f26 [0,1,0,0,0,0|3,0,0]=4 3763 B12R0.234 CS(=O)CCOCCCCCCF b351a8166a9bbffe978c7a38282c22fd [0,1,0,0,0,0|3,0,0]=4 3764 B12R0.234 CS(=O)CCOCCCCCCS 455e2c5549a7401f8679b42d354e807f [0,1,0,0,0,0|3,0,0]=4 3765 B12R0.234 CSCCCCNC/C=C/C(=O)O a972113a6c2e687338caa89d516cdded [0,1,0,0,0,0|1,0,2]=4 3766 B12R0.234 CSCCCCNCC=CC(=O)O 18340c8fb03fa0c80331d0c6fe101803 [0,1,0,0,0,0|1,0,2]=4 3767 B12R0.234 CSCCCCNCCCC(=O)C 4421f7344d273170f7c936adbb182c64 [0,1,0,0,0,0|2,0,0]=3 3768 B12R0.234 CSCCCCNCCCC(=O)N 936f1a38b6a6ab21eb0ddd08e6b72935 [0,1,0,0,0,0|2,0,0]=3 3769 B12R0.234 CSCCCCNCCCC(C)O 981e5c4cc63c709e55aa7e901247d3f8 [0,1,0,0,0,0|2,0,1]=4 3770 B12R0.234 CSCCCCNCCC[N+](=O)[O-] e6d2d3ce55736ce1bcd72ef58b2c5c86 [0,1,0,0,0,0|2,0,1]=4 3771 B12R0.234 CSCCCCNCCNC(=O)C e8376f9348cea23f668ea68fb678bbf2 [0,1,0,0,0,0|3,0,0]=4 3772 B12R0.234 CSCCCCNCCNC(=O)N 5a8a807cf44d7d3c8c3c8128c211559a [0,1,0,0,0,0|3,0,0]=4 3773 B12R0.234 CSCCCCNCCOC(=O)C bc2ebf6b78b5a0045e5c9798a020c11e [0,1,0,0,0,0|3,0,0]=4 3774 B12R0.234 CSCCCCNCCSC(=O)C 9a2f9c42cfd43c63591866f29e2f6a9a [0,1,0,0,0,0|3,0,0]=4 3775 B12R0.234 CSCCCCOC/C=C/C(=O)O 631e12b0f4fdd28971fe2d9491d51bca [0,1,0,0,0,0|1,0,2]=4 3776 B12R0.234 CSCCCCOCC=CC(=O)O 7de488157ec869f65ca63cab15fb5880 [0,1,0,0,0,0|1,0,2]=4 3777 B12R0.234 CSCCCCOCCCC(=O)C 99faf0434cdcdcf43f718d5e1bbd20fa [0,1,0,0,0,0|2,0,0]=3 3778 B12R0.234 CSCCCCOCCCC(=O)N 969a1f493ce4cc5e9a79a81aa5271b7f [0,1,0,0,0,0|2,0,0]=3 3779 B12R0.234 CSCCCCOCCC[N+](=O)[O-] 5b47b3a249456b35807824253e88c332 [0,1,0,0,0,0|2,0,1]=4 3780 B12R0.234 CSCCCCOCCNC(=O)C d9b9dad7ce02cbfbe8f177954889799e [0,1,0,0,0,0|3,0,0]=4 3781 B12R0.234 CSCCCCOCCNC(=O)N 85ef73e31df633b2011a6e574a01cee0 [0,1,0,0,0,0|3,0,0]=4 3782 B12R0.234 CSCCCCOCCOC(=O)C bd4574ee6d8a7cc4b8ed9e37ea57a012 [0,1,0,0,0,0|3,0,0]=4 3783 B12R0.234 CSCCCCOCCSC(=O)C 7def041ccaf9cfeaae8f186e66d33f10 [0,1,0,0,0,0|3,0,0]=4 3784 B12R0.234 CSCCCNCCCCC(=O)C 76dfda0f9870f68d15e589e55852ead0 [0,1,0,0,0,0|2,0,0]=3 3785 B12R0.234 CSCCCNCCCCC(=O)N f5e205a38e4a2b9bc26c28243b91d4ff [0,1,0,0,0,0|2,0,0]=3 3786 B12R0.234 CSCCCNCCCCC(=O)O dbe5f75bfe79e3c785f597e54058c9d4 [0,1,0,0,0,0|1,0,0]=2 3787 B12R0.234 CSCCCNCCCCC(C)O f5a0cfefd9c3db7070c188b938d3a99e [0,1,0,0,0,0|2,0,1]=4 3788 B12R0.234 CSCCCNCCCC[C@@H](C)O 79f88c36702e18555f964cd87e682f32 [0,1,0,0,0,0|2,0,1]=4 3789 B12R0.234 CSCCCNCCCNC(=O)C 0c4092a926427599e0cc149e3655660a [0,1,0,0,0,0|3,0,0]=4 3790 B12R0.234 CSCCCNCCCOC(=O)C cef5aa4fdd7ab839fbb531d29bc8d0d9 [0,1,0,0,0,0|3,0,0]=4 3791 B12R0.234 CSCCCNCCCSC(=O)C 126d2ac805f7aac83a0c43d3811fbae4 [0,1,0,0,0,0|3,0,0]=4 3792 B12R0.234 CSCCCNCCOCC(=O)N 639b7e9fc040bcec6de9ef8467ef5218 [0,1,0,0,0,0|3,0,0]=4 3793 B12R0.234 CSCCCNCCOCC(=O)O d9f37c1fd09ca38d07b1539454a5ae57 [0,1,0,0,0,0|2,0,0]=3 3794 B12R0.234 CSCCCNCCSCC(=O)O ed450e2cc030fc834716b1af3df44eae [0,1,0,0,0,0|2,0,0]=3 3795 B12R0.234 CSCCCOCCC#CC(=O)O d0476b31defa1e49c64656c7282f09e5 [0,1,0,0,0,0|1,0,2]=4 3796 B12R0.234 CSCCCOCCCCC(=O)C e7ae99ca5fe49c94eafc004fc9c72084 [0,1,0,0,0,0|2,0,0]=3 3797 B12R0.234 CSCCCOCCCCC(=O)N c8070b75b55a9618125c0d66d6cce3ee [0,1,0,0,0,0|2,0,0]=3 3798 B12R0.234 CSCCCOCCCCC(=O)O dbf4ce6c0157a9a9073249229d221019 [0,1,0,0,0,0|1,0,0]=2 3799 B12R0.234 CSCCCOCCCC[N+](=O)[O-] bb96f2822eae0507c8939b25a5dc67b9 [0,1,0,0,0,0|2,0,1]=4 3800 B12R0.234 CSCCCOCCCNC(=O)C 1467298f448d20873b16528f5995315a [0,1,0,0,0,0|3,0,0]=4 3801 B12R0.234 CSCCCOCCCOC(=O)C 6f3bc86a94aa2a8b0723f16a5d942f72 [0,1,0,0,0,0|3,0,0]=4 3802 B12R0.234 CSCCCOCCCSC(=O)C f851e406d95794eae7461a53ee98631b [0,1,0,0,0,0|3,0,0]=4 3803 B12R0.234 CSCCCOCCOCC(=O)N 2d72f4e8419f6382ba8f9bdb127f8c89 [0,1,0,0,0,0|3,0,0]=4 3804 B12R0.234 CSCCCOCCOCC(=O)O 06407558e19bc6d570d75607ff014cd7 [0,1,0,0,0,0|2,0,0]=3 3805 B12R0.234 CSCCCOCCSCC(=O)N c8f1d68a50fc6987f89874f3e1d8ef62 [0,1,0,0,0,0|3,0,0]=4 3806 B12R0.234 CSCCNCCCCCC(=O)C d8ede31baf91277de234319ef8354cdc [0,1,0,0,0,0|2,0,0]=3 3807 B12R0.234 CSCCNCCCCCC(=O)N 99ff2dcdbc11f5538f249b6036b991a5 [0,1,0,0,0,0|2,0,0]=3 3808 B12R0.234 CSCCNCCCCCC(=O)O 69b6bd0eee9dd730a8cd4eb1fd1d5d03 [0,1,0,0,0,0|1,0,0]=2 3809 B12R0.234 CSCCNCCCCNC(=O)C 174d75150e4806c4ce9a27271d290f3d [0,1,0,0,0,0|3,0,0]=4 3810 B12R0.234 CSCCNCCCCOC(=O)C 7b526de4ca4bd6ea3beb2f9c07d018c1 [0,1,0,0,0,0|3,0,0]=4 3811 B12R0.234 CSCCNCCCCSC(=O)C f23255d02e1681053d09a608df355eab [0,1,0,0,0,0|3,0,0]=4 3812 B12R0.234 CSCCNCCCOCC(=O)O bfe5884de37939a9e464dc86d3f5cf6a [0,1,0,0,0,0|2,0,0]=3 3813 B12R0.234 CSCCNCCOCCC(=O)O c559826a398dcd33e4fadd88920d8d3e [0,1,0,0,0,0|2,0,0]=3 3814 B12R0.234 CSCCOCCCCCC(=O)C a22b7fc34ffa94aee0a15a32700925f8 [0,1,0,0,0,0|2,0,0]=3 3815 B12R0.234 CSCCOCCCCCC(=O)N 0a71d8e154c8197cbd7ed5aea5026aae [0,1,0,0,0,0|2,0,0]=3 3816 B12R0.234 CSCCOCCCCCC(=O)O cb0796621d9ab3a0b6d44c704a69dd0c [0,1,0,0,0,0|1,0,0]=2 3817 B12R0.234 CSCCOCCCCOC(=O)C 050ba7aee03a308eca50a4543e72dcbb [0,1,0,0,0,0|3,0,0]=4 3818 B12R0.234 CSCCOCCCCSC(=O)C 60f4df83f54ab1bac6e6ef230031f22a [0,1,0,0,0,0|3,0,0]=4 3819 B12R0.234 CSCCOCCCNCC(=O)N 8730546e9b089dd891c3d81f2bf6b774 [0,1,0,0,0,0|3,0,0]=4 3820 B12R0.234 CSCCOCCCNCC(=O)O f192fbf48fe056140c8a0f0314236d5e [0,1,0,0,0,0|2,0,0]=3 3821 B12R0.234 CSCCOCCCOCC(=O)O 2d923adf542a4c6a9338abc360c0e8bf [0,1,0,0,0,0|2,0,0]=3 3822 B12R0.234 CSCCOCCOCCC(=O)O f30045352d6a675d8af62dd17159ee27 [0,1,0,0,0,0|2,0,0]=3 3823 B12R0.234 CSCNCCCCCCC(=O)O a1bc486db70065927d5b7f5b2ec9ff0e [0,1,0,0,0,0|1,0,0]=2 3824 B12R0.234 CSCNCCCCCNC(=O)C db08b4fa443b003220900a22f4591372 [0,1,0,0,0,0|3,0,0]=4 3825 B12R0.234 CSCNCCCSCCC(=O)N 397694a1ee71bfd4b92e596621fcc8de [0,1,0,0,0,0|3,0,0]=4 3826 B12R0.234 CSCNCCSSCCC(=O)O f20605a01ac7477d6e9426f094460a01 [0,1,0,0,0,0|3,0,0]=4 3827 B12R0.234 CSCOCCCCCCC(=O)N cdf30ffc49191108d8d9b7cbd00350a5 [0,1,0,0,0,0|2,0,0]=3 3828 B12R0.234 CSCOCCCCCCC(=O)O bb0fda614d47546d414cab13ce429503 [0,1,0,0,0,0|1,0,0]=2 3829 B12R0.234 CSCOCCSSCCC(=O)O 85beaca98e95312abbcd8e7f36921870 [0,1,0,0,0,0|3,0,0]=4 3830 B12R0.234 C[C@@H](O)CCCCNCCCCCl e0842e2c4fa408f677d8e9aefff39610 [0,1,0,0,0,0|2,0,1]=4 3831 B12R0.234 C[C@@H](O)CCCCNCCCCO 0af8eeb1fd9cb4ed58954161a5cfcaab [0,1,0,0,0,0|2,0,1]=4 3832 B12R0.234 C[C@@H](O)CCCCNCCCCS ca53e1222040892d4b79a84b6dbdddee [0,1,0,0,0,0|2,0,1]=4 3833 B12R0.234 C[C@@H](O)CCNCCCCCCF 21e699110714e61c99aad765b8666b5e [0,1,0,0,0,0|2,0,1]=4 3834 B12R0.234 C[C@@H](O)CCNCCCCCCO d463f1e255d30a705e844db06f4ce8d6 [0,1,0,0,0,0|2,0,1]=4 3835 B12R0.234 C[C@@H](O)CNCCCCCCCO 173d9076ee1e4bceb0380557ae473def [0,1,0,0,0,0|2,0,1]=4 3836 B12R0.234 C[C@H](O)CCNCCCCCCF 7999a2f15352f730449c61045aa7f7e9 [0,1,0,0,0,0|2,0,1]=4 3837 B12R0.234 C[C@H](O)CCNCCCCCCO 9c556961907f2cb1f07cc2a8f1996d47 [0,1,0,0,0,0|2,0,1]=4 3838 B12R0.234 C[C@H](O)CNCCCCCCCO 120cc2b1893fc31a2209a0ba4d17df3b [0,1,0,0,0,0|2,0,1]=4 3839 B12R0.234 N#CCCCCCCNCC(=O)N 8566bab9307899f2a3f547463c06613d [0,1,0,0,0,0|2,0,1]=4 3840 B12R0.234 N#CCCCCCCNCC(=O)O 600ebe9c4569a8da39b8547be7fb4ffd [0,1,0,0,0,0|1,0,1]=3 3841 B12R0.234 N#CCCCCCCOCC(=O)N 706c7ddec5a41a8a2c07f9f6b0533ebb [0,1,0,0,0,0|2,0,1]=4 3842 B12R0.234 N#CCCCCCCOCC(=O)O 0dca9ba5c8af336b66438d84ec47a09b [0,1,0,0,0,0|1,0,1]=3 3843 B12R0.234 N#CCCCCCCOCS(=O)O a9087f4be5c376b53a31cf8e443d0807 [0,1,0,0,0,0|2,0,1]=4 3844 B12R0.234 N#CCCCCCNCCC(=O)N 6f84ff494a5fbb30550028fabf67230c [0,1,0,0,0,0|2,0,1]=4 3845 B12R0.234 N#CCCCCCNCCC(=O)O 30e699ab7fb0b93b1e900ebd67b63147 [0,1,0,0,0,0|1,0,1]=3 3846 B12R0.234 N#CCCCCCNCCS(=O)O 4449682148947e53dbb7c0bab4040382 [0,1,0,0,0,0|2,0,1]=4 3847 B12R0.234 N#CCCCCCOCCC(=O)N 1e1f42706bdc3aa5a4a36fd4700c9c6a [0,1,0,0,0,0|2,0,1]=4 3848 B12R0.234 N#CCCCCCOCCC(=O)O 65f26334648f0bb9ef91f544e6da4d55 [0,1,0,0,0,0|1,0,1]=3 3849 B12R0.234 N#CCCCCNCCCC(=O)N 6a8efd16b7f39c7cf42a8a91f0a88ad0 [0,1,0,0,0,0|2,0,1]=4 3850 B12R0.234 N#CCCCCNCCCC(=O)O 06d351a784fa1608da12afe5273d7536 [0,1,0,0,0,0|1,0,1]=3 3851 B12R0.234 N#CCCCCOCCCC(=O)N 783eecf87bdaa70db01cf0b89faf5b63 [0,1,0,0,0,0|2,0,1]=4 3852 B12R0.234 N#CCCCNCCCCC(=O)N a7df86c2a3d033083a7ff593a378e35f [0,1,0,0,0,0|2,0,1]=4 3853 B12R0.234 N#CCCCNCCCCC(=O)O c6230e1c0e5d214a9e97fadf7e88f7b1 [0,1,0,0,0,0|1,0,1]=3 3854 B12R0.234 N#CCCCNCCOCC(=O)O 93e8ff0e1d4bd76b9f329fd30ad11638 [0,1,0,0,0,0|2,0,1]=4 3855 B12R0.234 N#CCCCNCCSCC(=O)O a427688a1adc7f134339fad6a6418748 [0,1,0,0,0,0|2,0,1]=4 3856 B12R0.234 N#CCCCOCCCCC(=O)N c47b0189f0e105ec0785c2c2e18070cc [0,1,0,0,0,0|2,0,1]=4 3857 B12R0.234 N#CCCCOCCCCC(=O)O 3613d8a8b9b518870854c0ae465c6f13 [0,1,0,0,0,0|1,0,1]=3 3858 B12R0.234 N#CCCCOCCOCC(=O)O 7cd69842b6276650401b5cf0acc1f416 [0,1,0,0,0,0|2,0,1]=4 3859 B12R0.234 N#CCCNCCCCCC(=O)N 2a0fb22ac78aa0055ec42c80b771acb2 [0,1,0,0,0,0|2,0,1]=4 3860 B12R0.234 N#CCCNCCCCCC(=O)O 7137d3f1a0ebe2855e2d8855c88ce1b3 [0,1,0,0,0,0|1,0,1]=3 3861 B12R0.234 N#CCCNCCCOCC(=O)O 4ae2e9e06a4e65b9246a94c84b1265f7 [0,1,0,0,0,0|2,0,1]=4 3862 B12R0.234 N#CCCNCCOCCC(=O)O 3509e19e22e5759f331eebc11300f013 [0,1,0,0,0,0|2,0,1]=4 3863 B12R0.234 N#CCCOCCCCCC(=O)N 627a4aa5db272fb9a6ff9a7d802ebb9e [0,1,0,0,0,0|2,0,1]=4 3864 B12R0.234 N#CCCOCCCCCC(=O)O 37b448a1e7656ca4d5d52849919a8aab [0,1,0,0,0,0|1,0,1]=3 3865 B12R0.234 N#CCCOCCCOCC(=O)O 302c12f26969ed7a133082a3ae288cd3 [0,1,0,0,0,0|2,0,1]=4 3866 B12R0.234 N#CCCOCCOCCC(=O)O f085fa5ff3fefcbd15e51badd0026bb4 [0,1,0,0,0,0|2,0,1]=4 3867 B12R0.234 N#CCNCCCCCCC(=O)O 51ec0855fa159b4a28b1e040dba7c851 [0,1,0,0,0,0|1,0,1]=3 3868 B12R0.234 N#CCOCCCCCCC(=O)N 9a48814d00fa1345870b750b12e18788 [0,1,0,0,0,0|2,0,1]=4 3869 B12R0.234 N#CCOCCCCCCC(=O)O 3c8d3913169bfbed3bd67fb7e3b78233 [0,1,0,0,0,0|1,0,1]=3 3870 B12R0.234 N#CCOCCCOCCC(=O)O 23f1b85a835d7d4a1d05e5558b34bd18 [0,1,0,0,0,0|2,0,1]=4 3871 B12R0.234 N#CCOCCNCCCC(=O)O c9977e9d163a144d88f7bd79b04db6b3 [0,1,0,0,0,0|2,0,1]=4 3872 B12R0.234 N#CNCCCCCCCC(=O)N e1e1779a1380e3a6d6073eef1d753be9 [0,1,0,0,0,0|2,0,1]=4 3873 B12R0.234 N#CSCOCCCCCC(=O)O 7db008cbbca587ddf39e3d6df2875f87 [0,1,0,0,0,0|2,0,1]=4 3874 B12R0.234 NC(=O)CCCCCCOCC=O 64934740166158df16fb918d61253319 [0,1,0,0,0,0|2,0,1]=4 3875 B12R0.234 NC(=O)CCCCCCOCCF 4ff84c7a0840087ce5186015f6808fd9 [0,1,0,0,0,0|2,0,0]=3 3876 B12R0.234 NC(=O)CCCCCCOCCS 07602d2aeb6bf41b6d7133a46645c02b [0,1,0,0,0,0|2,0,0]=3 3877 B12R0.234 NC(=O)CCCCCNCCC=O 78d30759937678cc90e85536f377db2d [0,1,0,0,0,0|2,0,1]=4 3878 B12R0.234 NC(=O)CCCCCNCCCCl 4d50b52e904418cadee0a98eff61e00c [0,1,0,0,0,0|2,0,0]=3 3879 B12R0.234 NC(=O)CCCCCNCCCF 7fb503a7ee230f3597b6e5976c8dd7a9 [0,1,0,0,0,0|2,0,0]=3 3880 B12R0.234 NC(=O)CCCCCNCCCO 901d2b0fefca29538d9aac95899e3441 [0,1,0,0,0,0|2,0,0]=3 3881 B12R0.234 NC(=O)CCCCCNCCCS 463a5632a3d367b36447195cdf721001 [0,1,0,0,0,0|2,0,0]=3 3882 B12R0.234 NC(=O)CCCCCOCCC=O 125594a801aa4471f83184a3731ec7a1 [0,1,0,0,0,0|2,0,1]=4 3883 B12R0.234 NC(=O)CCCCCOCCCF 0d5439db52ecf4aef5a53370eac18bb4 [0,1,0,0,0,0|2,0,0]=3 3884 B12R0.234 NC(=O)CCCCCOCCCS 35e5664f75e4d48859a0dac6c95f9b44 [0,1,0,0,0,0|2,0,0]=3 3885 B12R0.234 NC(=O)CCCCNCCCC=O dde22bf0fcec15d5c1cf7679e6ae8f5c [0,1,0,0,0,0|2,0,1]=4 3886 B12R0.234 NC(=O)CCCCNCCCCCl 95af0f6b2cb248f1f6fd0dbe2fdebfd6 [0,1,0,0,0,0|2,0,0]=3 3887 B12R0.234 NC(=O)CCCCNCCCCF 99262748609389c29bd383e92500e3d4 [0,1,0,0,0,0|2,0,0]=3 3888 B12R0.234 NC(=O)CCCCNCCCCO 8d4ddb0de3a71c5fd50b0c50a81b15b4 [0,1,0,0,0,0|2,0,0]=3 3889 B12R0.234 NC(=O)CCCCNCCCCS e48cbe86078bbe764ee16fc5d7c4a417 [0,1,0,0,0,0|2,0,0]=3 3890 B12R0.234 NC(=O)CCCCOCCCC=O d76d3804d2836459380a5a2ef855f2ce [0,1,0,0,0,0|2,0,1]=4 3891 B12R0.234 NC(=O)CCCCOCCCCF 640b4421a7ef77fce1561c88260e4b1e [0,1,0,0,0,0|2,0,0]=3 3892 B12R0.234 NC(=O)CCCCOCCCCS 44988ccf8ded10aea1f18d0900ef431b [0,1,0,0,0,0|2,0,0]=3 3893 B12R0.234 NC(=O)CCCNCCCCC=O ac7dd3d317964ba778865e9408d2bf36 [0,1,0,0,0,0|2,0,1]=4 3894 B12R0.234 NC(=O)CCCNCCCCCCl d8944d5aadb6490808e284594c3a8df7 [0,1,0,0,0,0|2,0,0]=3 3895 B12R0.234 NC(=O)CCCNCCCCCF 5aa1801bddf44ca1672a8d5b7988858d [0,1,0,0,0,0|2,0,0]=3 3896 B12R0.234 NC(=O)CCCNCCCCCO 8c3b8094fc4a8edc9d2e24e5afc9ea8b [0,1,0,0,0,0|2,0,0]=3 3897 B12R0.234 NC(=O)CCCNCCOCCO 91c01e6d3c773c6d47634dcd73ae2b20 [0,1,0,0,0,0|3,0,0]=4 3898 B12R0.234 NC(=O)CCCNCCOCCS 2f1273e730aefa04de033e24897e1fd1 [0,1,0,0,0,0|3,0,0]=4 3899 B12R0.234 NC(=O)CCCNCCSCCO 3075e5c46c838e54223445ca0239296f [0,1,0,0,0,0|3,0,0]=4 3900 B12R0.234 NC(=O)CCCOCCCCC=O 261097c38f508940f318e68e4540b925 [0,1,0,0,0,0|2,0,1]=4 3901 B12R0.234 NC(=O)CCCOCCCCCF 0aa3051ce0a30f3a9ae5f56df148a61a [0,1,0,0,0,0|2,0,0]=3 3902 B12R0.234 NC(=O)CCCOCCOCCF 5f534622bb8607d394d38311d352ed89 [0,1,0,0,0,0|3,0,0]=4 3903 B12R0.234 NC(=O)CCCOCCOCCS 637a18ece2f283a48bef9cf8bb1162f9 [0,1,0,0,0,0|3,0,0]=4 3904 B12R0.234 NC(=O)CCNCCCCCC=O 21bb4b2a2e7cc48296cbb3933e5eae59 [0,1,0,0,0,0|2,0,1]=4 3905 B12R0.234 NC(=O)CCNCCCCCCCl d975453f29c16dc493b7e4de03f1d8dc [0,1,0,0,0,0|2,0,0]=3 3906 B12R0.234 NC(=O)CCNCCCCCCF 7134e84677c166419b7d37accdabebf1 [0,1,0,0,0,0|2,0,0]=3 3907 B12R0.234 NC(=O)CCNCCCCCCO fc8d07e5452f342cb6b2a507761da417 [0,1,0,0,0,0|2,0,0]=3 3908 B12R0.234 NC(=O)CCNCCCOCCO 6e3271a32d4502296cd6475c47bb7d36 [0,1,0,0,0,0|3,0,0]=4 3909 B12R0.234 NC(=O)CCNCCOCCCO fb20688d745917aeb3acfba22baabaa9 [0,1,0,0,0,0|3,0,0]=4 3910 B12R0.234 NC(=O)CCOCCCCCC=O d7e0d1602fc722a1a90ce8cae0d3310d [0,1,0,0,0,0|2,0,1]=4 3911 B12R0.234 NC(=O)CCOCCCCCCF 337b3442c83f88912b64252221400a76 [0,1,0,0,0,0|2,0,0]=3 3912 B12R0.234 NC(=O)CCOCCCCCCS d753ae5257757e6ddf083dd46ea8357e [0,1,0,0,0,0|2,0,0]=3 3913 B12R0.234 NC(=O)CCSCCCNCCF 9f36ef571f363a44f30e44c600253696 [0,1,0,0,0,0|3,0,0]=4 3914 B12R0.234 NC(=O)CCSCCCNCCO e2038e0789fef790e1a7b477a1d38ed7 [0,1,0,0,0,0|3,0,0]=4 3915 B12R0.234 NC(=O)CCSCCCNCCS f7d3177ba17a2b0acdffc80ccce41e0c [0,1,0,0,0,0|3,0,0]=4 3916 B12R0.234 NC(=O)CNCCCCCCC=O b22e2aa7af4d7014f671bd4e3aaf3faf [0,1,0,0,0,0|2,0,1]=4 3917 B12R0.234 NC(=O)CNCCCCCCCO 6c8f747d838a490e5179849ddff8c3a6 [0,1,0,0,0,0|2,0,0]=3 3918 B12R0.234 NC(=O)CNCCCCSCCO 11774486e8a7b515c2a406d7c41c4a6f [0,1,0,0,0,0|3,0,0]=4 3919 B12R0.234 NC(=O)CNCCCOCCCO a5c436f6d2270685cf1192c63006b298 [0,1,0,0,0,0|3,0,0]=4 3920 B12R0.234 NC(=O)COCCCCCCC=O 6f30a971f2944c450021ea68a14a612c [0,1,0,0,0,0|2,0,1]=4 3921 B12R0.234 NC(=O)COCCNCCCCCl 23ea94edcab5a6cf123ad85841491e21 [0,1,0,0,0,0|3,0,0]=4 3922 B12R0.234 NC(=O)COCCNCCCCO 05a3685e5a76af36a8e1825f3420379c [0,1,0,0,0,0|3,0,0]=4 3923 B12R0.234 NC(=O)COCCNCCCCS e1c9aa6549ed0e73e2e150e2269ba86e [0,1,0,0,0,0|3,0,0]=4 3924 B12R0.234 NC(=O)COCCOCCCCF e48c2df2e187bda6ab3b93f92a637134 [0,1,0,0,0,0|3,0,0]=4 3925 B12R0.234 NC(=O)COCCOCCCCS ec7d47d707d3c71b44420c41a517af0c [0,1,0,0,0,0|3,0,0]=4 3926 B12R0.234 NC(=O)CSCCOCCCCF 2a2ab738e4cf713d979fa25328ec0dbf [0,1,0,0,0,0|3,0,0]=4 3927 B12R0.234 NC(=O)NCCNCCCCCCl aa87a9eb66ac4461d1561b6e2b51b8a7 [0,1,0,0,0,0|3,0,0]=4 3928 B12R0.234 NC(=O)NCCNCCCCCO fbfd171928f84ac720264a91a68af1b8 [0,1,0,0,0,0|3,0,0]=4 3929 B12R0.234 NC(=O)NCCOCCCCCF 98daa2a29cc4d25df8685e864b5a95ca [0,1,0,0,0,0|3,0,0]=4 3930 B12R0.234 NC(=O)NCOCCCCCCF d89ff57d77165f350ea025a1c5490f2e [0,1,0,0,0,0|3,0,0]=4 3931 B12R0.234 NC(=O)SCNCCCCCCCl 662e79bc5b10c0f9018b886090a1fb2c [0,1,0,0,0,0|3,0,0]=4 3932 B12R0.234 NC(=O)SCNCCCCCCO 5135287edf005a4cd8d0502d2eed1daf [0,1,0,0,0,0|3,0,0]=4 3933 B12R0.234 NC(=O)SCOCCCCCCF 452e0f4cbb0e3919a166f2c78e061624 [0,1,0,0,0,0|3,0,0]=4 3934 B12R0.234 NC(=O)SCOCCCCCCS 5950172293920472856c4df151cd6c66 [0,1,0,0,0,0|3,0,0]=4 3935 B12R0.234 NC(=S)CCNCCCCCCF 920b2d317f969cb13301599f907f5784 [0,1,0,0,0,0|2,1,0]=4 3936 B12R0.234 NC(=S)CCNCCCCCCO ccf48a1d5f75b1c1d1573a6ebc5eb718 [0,1,0,0,0,0|2,1,0]=4 3937 B12R0.234 NOCCCCNCCCC(=O)N b175c5c278a97674f095935f8c20ffdc [0,1,0,0,0,0|3,0,0]=4 3938 B12R0.234 NOCCCCNCCCC(=O)O a9a34aa7a4118ffa5ce33820eb4b2adb [0,1,0,0,0,0|2,0,0]=3 3939 B12R0.234 NOCCNCCCCCC(=O)N c0cddafcad68bd37782ab671e39f0633 [0,1,0,0,0,0|3,0,0]=4 3940 B12R0.234 NOCCNCCCOCC(=O)O 5db7c7a206e1e9b9ed58684a38be1341 [0,1,0,0,0,0|3,0,0]=4 3941 B12R0.234 NOCCNCCOCCC(=O)O 5b8558d51685b7c3f2655c4b4eef999d [0,1,0,0,0,0|3,0,0]=4 3942 B12R0.234 NOCCOCCNCCC(=O)O 7a1a50617b46474551e1a4f08d8afd6f [0,1,0,0,0,0|3,0,0]=4 3943 B12R0.234 O=C(O)/C=C/CNCCCCCCl 037b6bb1659a2aeaec56fbe701bdc5bb [0,1,0,0,0,0|1,0,2]=4 3944 B12R0.234 O=C(O)/C=C/CNCCCCCF 6d331a0fef1a0418b3406ec963138003 [0,1,0,0,0,0|1,0,2]=4 3945 B12R0.234 O=C(O)/C=C/CNCCCCCO 7d145bae8c0bb046bd81ef7fee7cbe94 [0,1,0,0,0,0|1,0,2]=4 3946 B12R0.234 O=C(O)/C=C/COCCCCCF ba37850edaaa19116c17d176bfdfa9ee [0,1,0,0,0,0|1,0,2]=4 3947 B12R0.234 O=C(O)C#CCCOCCCCF 9aef48468d2732c75e0520c7acab71f1 [0,1,0,0,0,0|1,0,2]=4 3948 B12R0.234 O=C(O)C#CCNCCCCCF f0b00245a7627e382eb62e6a823cf5ef [0,1,0,0,0,0|1,0,2]=4 3949 B12R0.234 O=C(O)C#CCNCCCCCO d33efe430d971d40284df876eae7e9ac [0,1,0,0,0,0|1,0,2]=4 3950 B12R0.234 O=C(O)C#CCOCCCCCF 0692a78ca69103ec6567007eef3cd02e [0,1,0,0,0,0|1,0,2]=4 3951 B12R0.234 O=C(O)C=CCNCCCCCCl e71a93684e19cc248b4e355c7346dccc [0,1,0,0,0,0|1,0,2]=4 3952 B12R0.234 O=C(O)C=CCNCCCCCF dc886bff0cd68d063b2ffdc47e685fb9 [0,1,0,0,0,0|1,0,2]=4 3953 B12R0.234 O=C(O)C=CCNCCCCCO 7e662daa232921c6412e5a89223a3939 [0,1,0,0,0,0|1,0,2]=4 3954 B12R0.234 O=C(O)C=CCOCCCCCF f287c73263a6c6a7bbbe2a99f18d5cbe [0,1,0,0,0,0|1,0,2]=4 3955 B12R0.234 O=C(O)CCCCCCCNCF e8c21eba517dcbdb46dd886a12d2b83e [0,1,0,0,0,0|1,0,0]=2 3956 B12R0.234 O=C(O)CCCCCCCNCO 46ea4b8de06cdc8c9d33a0b2d6629d4f [0,1,0,0,0,0|1,0,0]=2 3957 B12R0.234 O=C(O)CCCCCCCOCF ceadc63f6c01355132f6689674f44a15 [0,1,0,0,0,0|1,0,0]=2 3958 B12R0.234 O=C(O)CCCCCCNCCF a44b095052b61095ea26d72940a8b2e2 [0,1,0,0,0,0|1,0,0]=2 3959 B12R0.234 O=C(O)CCCCCCNCCI 631aba465ea99af4cd52b2cabda44c9b [0,1,0,0,0,0|1,0,0]=2 3960 B12R0.234 O=C(O)CCCCCCNCCO e466aba34ada8f3b43cbdd78f4896f31 [0,1,0,0,0,0|1,0,0]=2 3961 B12R0.234 O=C(O)CCCCCCNCCS 460dbdbdc9f50847caf64121432cd243 [0,1,0,0,0,0|1,0,0]=2 3962 B12R0.234 O=C(O)CCCCCCOCCF 2b120b4f2aaff31eb8412cde0417e517 [0,1,0,0,0,0|1,0,0]=2 3963 B12R0.234 O=C(O)CCCCCCOCCS d5c3fcd3c1378d1cb41f2ed359404038 [0,1,0,0,0,0|1,0,0]=2 3964 B12R0.234 O=C(O)CCCCCNC/C=C/Cl 2a78d86d3d407f26c6103e996b935c95 [0,1,0,0,0,0|1,0,2]=4 3965 B12R0.234 O=C(O)CCCCCNC/C=C\Cl b40f3919d8d419e598466e7f214c039c [0,1,0,0,0,0|1,0,2]=4 3966 B12R0.234 O=C(O)CCCCCNC/C=C\O 9b4d43292e3805ac24f724916eda2b69 [0,1,0,0,0,0|1,0,2]=4 3967 B12R0.234 O=C(O)CCCCCNCCCCl b4a98b97329cfa3569049586282e17d0 [0,1,0,0,0,0|1,0,0]=2 3968 B12R0.234 O=C(O)CCCCCNCCCF 62a3ea6ff866acfa606218eab30279e1 [0,1,0,0,0,0|1,0,0]=2 3969 B12R0.234 O=C(O)CCCCCNCCCO 58a008497637fdf5b165dff5462a42c7 [0,1,0,0,0,0|1,0,0]=2 3970 B12R0.234 O=C(O)CCCCCNCCCS 3baa75d4fff40713bc096a6b36b29c5b [0,1,0,0,0,0|1,0,0]=2 3971 B12R0.234 O=C(O)CCCCCOC/C=C/Cl 17c2f7eac5007813cbb913c3d6166dab [0,1,0,0,0,0|1,0,2]=4 3972 B12R0.234 O=C(O)CCCCCOC/C=C\Cl c427feafc95a9a01795015ade2da127e [0,1,0,0,0,0|1,0,2]=4 3973 B12R0.234 O=C(O)CCCCCOCC=CCl ce8915aa753ebafae072b921b189d285 [0,1,0,0,0,0|1,0,2]=4 3974 B12R0.234 O=C(O)CCCCCOCCCF dd2c291f12cbaed1beb5335f96bae866 [0,1,0,0,0,0|1,0,0]=2 3975 B12R0.234 O=C(O)CCCCCOCCCS 52318a2ee5f9f1576a38f1ea4d3aa604 [0,1,0,0,0,0|1,0,0]=2 3976 B12R0.234 O=C(O)CCCCNCC#CCO c240dcb23a78b4017b76691f8d644bb6 [0,1,0,0,0,0|1,0,2]=4 3977 B12R0.234 O=C(O)CCCCNCCCCCl 0498a09ce5ca0e68dfa361371c0f7bf1 [0,1,0,0,0,0|1,0,0]=2 3978 B12R0.234 O=C(O)CCCCNCCCCF 0d479c406e4272a3b82bfcb5c540d672 [0,1,0,0,0,0|1,0,0]=2 3979 B12R0.234 O=C(O)CCCCNCCCCO 216cfec721e3042e8feb6254e3d4fa16 [0,1,0,0,0,0|1,0,0]=2 3980 B12R0.234 O=C(O)CCCCOCCCCF 1c7b4d17a80c87a331aed20c1f230907 [0,1,0,0,0,0|1,0,0]=2 3981 B12R0.234 O=C(O)CCCCOCCCCS 609d646c0f91479749b9233bcb1c490f [0,1,0,0,0,0|1,0,0]=2 3982 B12R0.234 O=C(O)CCCCOCCNCF d56499dbd095bfff766dbcb8bf4b06e9 [0,1,0,0,0,0|2,0,0]=3 3983 B12R0.234 O=C(O)CCCCOCCNCO 732b8069d1163d67f3b6a4cdf7ea76b7 [0,1,0,0,0,0|2,0,0]=3 3984 B12R0.234 O=C(O)CCCCOCCOCF b399df038709f2758e28022315a64246 [0,1,0,0,0,0|2,0,0]=3 3985 B12R0.234 O=C(O)CCCNCCCCCF b390e59ab52c19d76643ab5a496f8be5 [0,1,0,0,0,0|1,0,0]=2 3986 B12R0.234 O=C(O)CCCNCCCCCO ccd55d445a08a269a77912662ad20a02 [0,1,0,0,0,0|1,0,0]=2 3987 B12R0.234 O=C(O)CCCNCCOCCO a6a00f23457bba0c6c8d1b06bd4eb7fb [0,1,0,0,0,0|2,0,0]=3 3988 B12R0.234 O=C(O)CCCNCCOCCS e31214613860c482cf1f178479af0142 [0,1,0,0,0,0|2,0,0]=3 3989 B12R0.234 O=C(O)CCCNCCSCCO 5458d62badb844dd86abfad2be1d1c9e [0,1,0,0,0,0|2,0,0]=3 3990 B12R0.234 O=C(O)CCCOCCOCCF 6a942b6be774ad86ba72c43d25f111a6 [0,1,0,0,0,0|2,0,0]=3 3991 B12R0.234 O=C(O)CCCOCCOCCS b608e3434e4f2e998b4839b801a53ef2 [0,1,0,0,0,0|2,0,0]=3 3992 B12R0.234 O=C(O)CCNCCCCCCCl 1779a150c58a35b4b142ef0f99b87c12 [0,1,0,0,0,0|1,0,0]=2 3993 B12R0.234 O=C(O)CCNCCCCCCF 348f51d1fa1d38cd1941d93499ec59a3 [0,1,0,0,0,0|1,0,0]=2 3994 B12R0.234 O=C(O)CCNCCCCCCO adf083ed3329272cc8e274ad5ea099f3 [0,1,0,0,0,0|1,0,0]=2 3995 B12R0.234 O=C(O)CCNCCCOCCO 6122e0e0fe887983c11ae90780ac5d74 [0,1,0,0,0,0|2,0,0]=3 3996 B12R0.234 O=C(O)CCNCCOCCCO 436316bcec9e95d4a7bd2530e550339b [0,1,0,0,0,0|2,0,0]=3 3997 B12R0.234 O=C(O)CCNCCSSCCO 35ea4b71db08f5c03863f51a6951bf1a [0,1,0,0,0,0|3,0,0]=4 3998 B12R0.234 O=C(O)CCOCCCCCCF de3389e1a62dd2e7849bbf5f014ce84d [0,1,0,0,0,0|1,0,0]=2 3999 B12R0.234 O=C(O)CCOCCCCCCS d25d14fb70c112fea0d0063058f34281 [0,1,0,0,0,0|1,0,0]=2 4000 B12R0.234 O=C(O)CCOCCNCCCCl 3d91038c81f73f4041a84ac8656fb22b [0,1,0,0,0,0|2,0,0]=3 4001 B12R0.234 O=C(O)CCOCCNCCCF 3961a956d45ffe76f489501c8a3a44ee [0,1,0,0,0,0|2,0,0]=3 4002 B12R0.234 O=C(O)CCOCCNCCCO 53debc126414b744f8b85aee47dd3806 [0,1,0,0,0,0|2,0,0]=3 4003 B12R0.234 O=C(O)CCOCCNCCCS 37486f5c3cdd9515fdf27f03100dda85 [0,1,0,0,0,0|2,0,0]=3 4004 B12R0.234 O=C(O)CCOCCOCCCF 35975f85d66a69e0f35f74a9ea298ad6 [0,1,0,0,0,0|2,0,0]=3 4005 B12R0.234 O=C(O)CCOCCOCCCS 90d1731b220df85e0ce6136e411c71e4 [0,1,0,0,0,0|2,0,0]=3 4006 B12R0.234 O=C(O)CCSSCCNCCO ba110effd5e38082ff5889ee44e61236 [0,1,0,0,0,0|3,0,0]=4 4007 B12R0.234 O=C(O)CCSSCCOCCS 616bb3b21bdd05320b41c1d8a1f11c77 [0,1,0,0,0,0|3,0,0]=4 4008 B12R0.234 O=C(O)CNCCCCCCCO 833cd711f9fd17550098197e241d36dc [0,1,0,0,0,0|1,0,0]=2 4009 B12R0.234 O=C(O)CNCCCCSCCO 08465e4fac1640bfdaf454c3b2d702e8 [0,1,0,0,0,0|2,0,0]=3 4010 B12R0.234 O=C(O)CNCCCOCCCO bd0bbe25a232293535addfef51074174 [0,1,0,0,0,0|2,0,0]=3 4011 B12R0.234 O=C(O)COCCCNCCCCl 9009cd93a954d769449bf4e19c030b76 [0,1,0,0,0,0|2,0,0]=3 4012 B12R0.234 O=C(O)COCCCNCCCO d003f033ae0ad6da8b446adfde7ef8fa [0,1,0,0,0,0|2,0,0]=3 4013 B12R0.234 O=C(O)COCCCOCCCF b314f463f3b0a2758cf5305159de16dd [0,1,0,0,0,0|2,0,0]=3 4014 B12R0.234 O=C(O)COCCCOCCCS d5cbd71c58a480acdf0fcdc9e8d4c60f [0,1,0,0,0,0|2,0,0]=3 4015 B12R0.234 O=C(O)COCCNCCCCCl e9ec17cf453168d4f4a3e185f611f516 [0,1,0,0,0,0|2,0,0]=3 4016 B12R0.234 O=C(O)COCCNCCCCF ac1486c971cc20aebbe208c412d9668f [0,1,0,0,0,0|2,0,0]=3 4017 B12R0.234 O=C(O)COCCNCCCCO fbf5e626a4f39a3494089b149bf6ee0b [0,1,0,0,0,0|2,0,0]=3 4018 B12R0.234 O=C(O)COCCNCCCCS 2d5a5fd6350b2a01e18b83f60ba740da [0,1,0,0,0,0|2,0,0]=3 4019 B12R0.234 O=C(O)COCCOCCCCF 9a71dc33940e39e3634dfd82082042fd [0,1,0,0,0,0|2,0,0]=3 4020 B12R0.234 O=C(O)COCCOCCCCS 36a8675a8c909e57691ec540dc9d9ae6 [0,1,0,0,0,0|2,0,0]=3 4021 B12R0.234 O=C(O)COCCOCCNCF 2fceca6843a15264a31193fc25e4c2fd [0,1,0,0,0,0|3,0,0]=4 4022 B12R0.234 O=C(O)COCCOCCNCO 882cc751a447e6646cbed3c7ff1cdec2 [0,1,0,0,0,0|3,0,0]=4 4023 B12R0.234 O=C(O)COCCOCCOCF 80345fc2262022300c39c3885b267da3 [0,1,0,0,0,0|3,0,0]=4 4024 B12R0.234 O=C(O)CSCCNCCCCF b49be60fd7da24bcf6cd5439abc384d0 [0,1,0,0,0,0|2,0,0]=3 4025 B12R0.234 O=C(O)CSCCNCCCCO 3d0a0eb82e1338ba9b5190f0a101f466 [0,1,0,0,0,0|2,0,0]=3 4026 B12R0.234 O=CCCCCCCNCC(=O)O b272f4cc8a027bcd5e8c40e78fe1de1b [0,1,0,0,0,0|1,0,1]=3 4027 B12R0.234 O=CCCCCCCOCC(=O)O dd27a7b7d1bb0569ba01ffb53f6eeeaa [0,1,0,0,0,0|1,0,1]=3 4028 B12R0.234 O=CCCCCCCOCS(=O)O 2d6e502251f6623fb08eb213cb67aad4 [0,1,0,0,0,0|2,0,1]=4 4029 B12R0.234 O=CCCCCCNCCC(=O)O 582231b35e100b1ce55d00427c841abf [0,1,0,0,0,0|1,0,1]=3 4030 B12R0.234 O=CCCCCCNCCS(=O)O c778f9b83a52174abe2ebb9891c44e83 [0,1,0,0,0,0|2,0,1]=4 4031 B12R0.234 O=CCCCCCOCCC(=O)O 81e78c643cca19142029da24d32b8d89 [0,1,0,0,0,0|1,0,1]=3 4032 B12R0.234 O=CCCCCNCCCC(=O)O 1c60fead7232f7376775ca8c2f573a3a [0,1,0,0,0,0|1,0,1]=3 4033 B12R0.234 O=CCCCCOCCCC(=O)O 0a34c15630c4a5355632c142fb7ddaf2 [0,1,0,0,0,0|1,0,1]=3 4034 B12R0.234 O=CCCCNCCCCC(=O)O 9d21707c925196d42a66de81f366b220 [0,1,0,0,0,0|1,0,1]=3 4035 B12R0.234 O=CCCCNCCOCC(=O)O c25a8a4f6ba68ca67b75036aebeb2b09 [0,1,0,0,0,0|2,0,1]=4 4036 B12R0.234 O=CCCCNCCSCC(=O)O a1a7d2d7040ea6f7ed7a820764446677 [0,1,0,0,0,0|2,0,1]=4 4037 B12R0.234 O=CCCCOCCCCC(=O)O 869dcfd8a150db8a97b8417504f152bd [0,1,0,0,0,0|1,0,1]=3 4038 B12R0.234 O=CCCCOCCOCC(=O)O 7f9ad2ec854c7ac1e92cb6faae8041f3 [0,1,0,0,0,0|2,0,1]=4 4039 B12R0.234 O=CCCNCCCCCC(=O)O d3dc0a4e70498987d4aed9007a6bc5e4 [0,1,0,0,0,0|1,0,1]=3 4040 B12R0.234 O=CCCNCCOCCC(=O)O e9c40b3180c1199bee5d29778cf0ac90 [0,1,0,0,0,0|2,0,1]=4 4041 B12R0.234 O=CCCOCCCCCC(=O)O 4348c76a171d8d5cec112d6bedf84675 [0,1,0,0,0,0|1,0,1]=3 4042 B12R0.234 O=CCCOCCCOCC(=O)O f6b67d53f0b53dd50465577b050e6ee4 [0,1,0,0,0,0|2,0,1]=4 4043 B12R0.234 O=CCCOCCOCCC(=O)O f62a052a5af06899e5c240e00c6362e3 [0,1,0,0,0,0|2,0,1]=4 4044 B12R0.234 O=CCNCCCCCCC(=O)O e1345a9c05f1f5a3e98a27d3a7f843e4 [0,1,0,0,0,0|1,0,1]=3 4045 B12R0.234 O=CCOCCCCCCC(=O)O 15bfb31e38ccc9be278e2263a2b5b1bd [0,1,0,0,0,0|1,0,1]=3 4046 B12R0.234 O=CCOCCNCCCC(=O)O 88efaed24ddce5b43565f3f72b9f404c [0,1,0,0,0,0|2,0,1]=4 4047 B12R0.234 O=CCOCCOCCCC(=O)O 350d47d52f4d226c43cf625d89c61139 [0,1,0,0,0,0|2,0,1]=4 4048 B12R0.234 O=CNCCOCCCCC(=O)O 2d426770c2b843b5b59243d2ae962f32 [0,1,0,0,0,0|2,0,1]=4 4049 B12R0.234 O=COCCOCCCCC(=O)O 89dbfdc239555bc2d4d0cbdf09c92387 [0,1,0,0,0,0|2,0,1]=4 4050 B12R0.234 O=S(O)CCNCCCCCCF 6bfa06a32294560e961c43d0bd55f79d [0,1,0,0,0,0|2,0,0]=3 4051 B12R0.234 O=S(O)CCNCCCCCCO 8c6c125e615e399140c65b078faa1e6d [0,1,0,0,0,0|2,0,0]=3 4052 B12R0.234 O=[N+]([O-])CCCCOCCCCF 680b50fb687dc6c28b383c986106955a [0,1,0,0,0,0|2,0,1]=4 4053 B12R0.234 O=[N+]([O-])CCCNCCCCCCl e7a375138bf153fc4f31f794b3287faf [0,1,0,0,0,0|2,0,1]=4 4054 B12R0.234 O=[N+]([O-])CCCNCCCCCO 64550d71c12bce1438f182102c583260 [0,1,0,0,0,0|2,0,1]=4 4055 B12R0.234 O=[N+]([O-])CCCOCCCCCF c23ea5731f43e6d124b00cfc552c2388 [0,1,0,0,0,0|2,0,1]=4 4056 B12R0.234 O=[N+]([O-])CCOCCCCCCF 1cd83f189b606ce73bb7b9b9365148d9 [0,1,0,0,0,0|2,0,1]=4 4057 B12R0.234 O=[N+]([O-])CNCCCCCCCO 9965a79d23a529ebc09891c035db80ec [0,1,0,0,0,0|2,0,1]=4 4058 B12R0.248 C#CC(=O)NCCCCCCCC 05da4a92117f41b786a238e8d1ad6fb2 [0,1,0,0,0,0|2,0,0]=3 4059 B12R0.248 C#CC(=O)NCCCCCCCO 875b1c9a77241c733e7064b1e550e8b5 [0,1,0,0,0,0|3,0,0]=4 4060 B12R0.248 C#CC(=O)NCCCCSCCC 9f2392889b0dd1d8cca4d3b30274c413 [0,1,0,0,0,0|3,0,0]=4 4061 B12R0.248 C#CC(=O)NCCCOCCCC f7cdb3c771ea68ab823066d958d6ee8f [0,1,0,0,0,0|3,0,0]=4 4062 B12R0.248 C#CC(O)CCCCCNCCC 0a10a6c898e747bcfbad27a5c288173b [0,1,0,0,0,0|2,0,1]=4 4063 B12R0.248 C#CCCCCCCNC(=O)CO 6c968fe5f9e87c3aa78770adfc05d024 [0,1,0,0,0,0|1,0,2]=4 4064 B12R0.248 C#CCCCCCNCC(=O)CO 9b5b0afe793adacc4c8250723a359920 [0,1,0,0,0,0|1,0,2]=4 4065 B12R0.248 C#CCCCCCNCC(=O)NO fd84f381749ee07685364abf4494c065 [0,1,0,0,0,0|1,0,2]=4 4066 B12R0.248 C#CCCCCCNCC(=O)OC 520d23acc6f0ab6137c3b605896478b7 [0,1,0,0,0,0|1,0,2]=4 4067 B12R0.248 C#CCCCCCOCC(=O)OC 48d6ed526b7a97d74294c4451f2c9346 [0,1,0,0,0,0|1,0,2]=4 4068 B12R0.248 C#CCCCCNCCC(=O)NO 19e8ef54625cbbb385c3f19329d20a55 [0,1,0,0,0,0|1,0,2]=4 4069 B12R0.248 C#CCCCCNCCC(=O)OC 94d6bc458ac794fa9311bfc5ffff2297 [0,1,0,0,0,0|1,0,2]=4 4070 B12R0.248 C#CCCCCOCCC(=O)OC 7d5449133abc37da6f3f7b4544a35090 [0,1,0,0,0,0|1,0,2]=4 4071 B12R0.248 C#CCCCNCCCC(=O)OC e2f5379a9db68c836c890192ff7b2d84 [0,1,0,0,0,0|1,0,2]=4 4072 B12R0.248 C#CCCCOCCCC(=O)OC 734a4c3cc730cad00466b7c7c265e9d7 [0,1,0,0,0,0|1,0,2]=4 4073 B12R0.248 C#CCCNCCCCC(=O)OC 3420dc0ebb952cb9eec32ea3128da57c [0,1,0,0,0,0|1,0,2]=4 4074 B12R0.248 C#CCCOCCCCC(=O)OC 6d0f0519dcf268965a408d413416ed6e [0,1,0,0,0,0|1,0,2]=4 4075 B12R0.248 C#CCNCCCCCC(=O)OC 06c4be94de97308db16039824b0b652f [0,1,0,0,0,0|1,0,2]=4 4076 B12R0.248 C#CCOCCCCCC(=O)OC a62fa4f01b807eb3f3f19159fca226cb [0,1,0,0,0,0|1,0,2]=4 4077 B12R0.248 C/C=C/CCCOCCC(=O)OC 762c6c266e0c3f3a3bcfd2b01af6ef54 [0,1,0,0,0,0|1,0,2]=4 4078 B12R0.248 C/C=C/CCOCCCC(=O)OC a01052563d4562f874f705fd032dd7f2 [0,1,0,0,0,0|1,0,2]=4 4079 B12R0.248 C/C=C/CNCCCCC(=O)OC ed7535ca452b09c51b0739e5b6850a2e [0,1,0,0,0,0|1,0,2]=4 4080 B12R0.248 C/C=C/COCCCCC(=O)OC 555a69364b79ce77ad00f1930d869a02 [0,1,0,0,0,0|1,0,2]=4 4081 B12R0.248 C/C=C\CCCNCCC(=O)NO 083816da7551eef149d92d2afa61afb5 [0,1,0,0,0,0|1,0,2]=4 4082 B12R0.248 C/C=C\CCCNCCC(=O)OC 5dd18d8a758821724e5353f0ba0dcb2f [0,1,0,0,0,0|1,0,2]=4 4083 B12R0.248 C/C=C\CCCOCCC(=O)OC e6569cb5559e243f74c3d4d337073b73 [0,1,0,0,0,0|1,0,2]=4 4084 B12R0.248 C/C=C\CNCCCCC(=O)OC 143c6241bfd253fe4d361e167c230d08 [0,1,0,0,0,0|1,0,2]=4 4085 B12R0.248 C/C=C\COCCCCC(=O)OC 2e4c2d305262502158c67b7a2a5b065b [0,1,0,0,0,0|1,0,2]=4 4086 B12R0.248 C=C(C#N)CNCCCCCCC ffec115fe0e54ebffb87aee9a7011763 [0,1,0,0,0,0|3,0,0]=4 4087 B12R0.248 C=C(C#N)COCCCCCCC cbcf34d44fd2666aab442b0e2695773a [0,1,0,0,0,0|3,0,0]=4 4088 B12R0.248 C=C(C=O)OCCCCCCCC 1c4af6dc31202c6998350da6878d3384 [0,1,0,0,0,0|2,0,0]=3 4089 B12R0.248 C=C(C=O)OCCCCCCOC 3b691b6c105b7394b745a4faa32e6c96 [0,1,0,0,0,0|3,0,0]=4 4090 B12R0.248 C=C(CC)CNCCCCCCC 83c846a2d548154ae3dfb9b64c559fb6 [0,1,0,0,0,0|3,0,0]=4 4091 B12R0.248 C=C(CC)COCCCCCCC 2a17750a84c0fac278516bd4ea134be7 [0,1,0,0,0,0|3,0,0]=4 4092 B12R0.248 C=C(CNCCCCCCC)OC 043016b208b4d94cb43d8730512ebf8d [0,1,0,0,0,0|2,0,0]=3 4093 B12R0.248 C=C(CNCCCCCCCl)OC f983171f2dd9ffd1603757ba74befaf2 [0,1,0,0,0,0|3,0,0]=4 4094 B12R0.248 C=C(CNCCCCCCO)OC 63d666a961311c5c95dd1c201f18e204 [0,1,0,0,0,0|3,0,0]=4 4095 B12R0.248 C=C(CNCCCCCOC)OC 8f547a0f7668fb1d86022f1a9488aa0f [0,1,0,0,0,0|3,0,0]=4 4096 B12R0.248 C=C(CNCCCCSCC)OC c0bae8ee7f16854b864d3f72ae589740 [0,1,0,0,0,0|3,0,0]=4 4097 B12R0.248 C=C(CNCCCOCCC)OC b2dffabe3c9d3489949a526b4f61cddb [0,1,0,0,0,0|3,0,0]=4 4098 B12R0.248 C=C(CNCCOCCCC)OC 2e54f77a9f8a352597a85033a8bd279b [0,1,0,0,0,0|3,0,0]=4 4099 B12R0.248 C=C(CO)CNCCCCCCC 6f9d8fb6843df8e18f6327cbc4cf2df1 [0,1,0,0,0,0|2,0,0]=3 4100 B12R0.248 C=C(CO)CNCCCCCCCl a006692ce77473640c93a60ea3a7e0f1 [0,1,0,0,0,0|3,0,0]=4 4101 B12R0.248 C=C(CO)CNCCCCCCO 482ecbe11ebb09c22f805eaac2a3f3a5 [0,1,0,0,0,0|3,0,0]=4 4102 B12R0.248 C=C(CO)CNCCCCCOC e05e499772174218c43b387479e1eabd [0,1,0,0,0,0|3,0,0]=4 4103 B12R0.248 C=C(CO)CNCCCCSCC 9854f3991587f60ea2a53270f8798e1e [0,1,0,0,0,0|3,0,0]=4 4104 B12R0.248 C=C(CO)CNCCCOCCC eb404bbf29a9653fba449764548f6e96 [0,1,0,0,0,0|3,0,0]=4 4105 B12R0.248 C=C(CO)CNCCOCCCC c4f52981a56488fc6d7b113d66982df8 [0,1,0,0,0,0|3,0,0]=4 4106 B12R0.248 C=C(COCCCCCCC)OC 0192794a2c9e9295c9ea6e2f5364ef87 [0,1,0,0,0,0|2,0,0]=3 4107 B12R0.248 C=C(COCCCCCCF)OC dfab4e748ad28e7178beacc907594cf9 [0,1,0,0,0,0|3,0,0]=4 4108 B12R0.248 C=C(COCCCCCCS)OC 2e2be5a907c4068ce52873dc29eaf211 [0,1,0,0,0,0|3,0,0]=4 4109 B12R0.248 C=C(COCCOCCCC)OC ccd104d88075853750444d90b44c0806 [0,1,0,0,0,0|3,0,0]=4 4110 B12R0.248 C=C(COCCSCCCC)OC b03057f64f2124db88609a8373645009 [0,1,0,0,0,0|3,0,0]=4 4111 B12R0.248 C=CC(=O)CCCNCCCCC 5203eec50b0f2766c5017ea27af41260 [0,1,0,0,0,0|2,0,0]=3 4112 B12R0.248 C=CC(=O)CCCNCCCCCl 7e527d7b4170f55e8445af1f0f9f9d5d [0,1,0,0,0,0|3,0,0]=4 4113 B12R0.248 C=CC(=O)CCCNCCCCO ef1e077618098d93aa0bfa3a7e436eef [0,1,0,0,0,0|3,0,0]=4 4114 B12R0.248 C=CC(=O)CCCNCCCCS 0cdaad738f3f73c0a72b8f39c08c6b9b [0,1,0,0,0,0|3,0,0]=4 4115 B12R0.248 C=CC(=O)CCCNCCCOC 7150fdae270e585de0ac29749a232098 [0,1,0,0,0,0|3,0,0]=4 4116 B12R0.248 C=CC(=O)CCCNCCCSC 94834fb6269267c64a1c4846cc4f5a71 [0,1,0,0,0,0|3,0,0]=4 4117 B12R0.248 C=CC(=O)CCCNCCOCC 184fa3fae22b68daffda7864da17e79e [0,1,0,0,0,0|3,0,0]=4 4118 B12R0.248 C=CC(=O)CCCNCCSCC 04f420b60f98ebb891db65b40cddc75c [0,1,0,0,0,0|3,0,0]=4 4119 B12R0.248 C=CC(=O)CCCOCCCCC 474f7debd227b58eb448956dba08a7b9 [0,1,0,0,0,0|2,0,0]=3 4120 B12R0.248 C=CC(=O)CCCOCCCCF fd970514102d8a8ce6d4a1cfeaab40e7 [0,1,0,0,0,0|3,0,0]=4 4121 B12R0.248 C=CC(=O)CCCOCCCCS 95e5bfc3fc637b538f86356ba7bf3bc3 [0,1,0,0,0,0|3,0,0]=4 4122 B12R0.248 C=CC(=O)CCCOCCCOC 414b77d0bf9a730e00ad47332207d604 [0,1,0,0,0,0|3,0,0]=4 4123 B12R0.248 C=CC(=O)CCCOCCCSC 75a66d9549ac828f55818f34a3067903 [0,1,0,0,0,0|3,0,0]=4 4124 B12R0.248 C=CC(=O)CCCOCCOCC 91cdbdf3bfbd9e7d5ffa7372d1423b2a [0,1,0,0,0,0|3,0,0]=4 4125 B12R0.248 C=CC(=O)CCCOCCSCC 0b23fa6817bd1ca616a8ef750e0a3a61 [0,1,0,0,0,0|3,0,0]=4 4126 B12R0.248 C=CC(=O)NCCCCCCCC e26adf79311ed4a39b1c817d53427836 [0,1,0,0,0,0|2,0,0]=3 4127 B12R0.248 C=CC(=O)NCCCCCCCO 1d7807ddd7428c8bc433a0b91a0f65ab [0,1,0,0,0,0|3,0,0]=4 4128 B12R0.248 C=CC(=O)NCCCCOCCC 2f8124c3bd79ba8ca1ac721900c06ba0 [0,1,0,0,0,0|3,0,0]=4 4129 B12R0.248 C=CC(=O)NCCCCSCCC 04df7128c773f64d37267e6f887cb317 [0,1,0,0,0,0|3,0,0]=4 4130 B12R0.248 C=CC(=O)NCCCOCCCC e579c97d98855c7f227ab06474df3417 [0,1,0,0,0,0|3,0,0]=4 4131 B12R0.248 C=CC(=O)NCCNCCCCC bc21f9712006e85b42f99afb258b8e10 [0,1,0,0,0,0|3,0,0]=4 4132 B12R0.248 C=CC(=O)NCCOCCCCC bbcfe01098019383f44ab0efe53379f9 [0,1,0,0,0,0|3,0,0]=4 4133 B12R0.248 C=CC(=O)NCOCCCCCC 1de704ecfdb147aa8d732a52cc65bd0c [0,1,0,0,0,0|3,0,0]=4 4134 B12R0.248 C=CC(=O)OCCCCCOCC 50c4d9d6be6b477e47eb53a0b016d4f7 [0,1,0,0,0,0|3,0,0]=4 4135 B12R0.248 C=CC(=O)OCCCCOCCC 01c50773d6f1cbb27fb94324a07b9665 [0,1,0,0,0,0|3,0,0]=4 4136 B12R0.248 C=CC(=O)OCCNCCCCC 2dc2cee2bae97f29f8883c7e072029f7 [0,1,0,0,0,0|3,0,0]=4 4137 B12R0.248 C=CC(=O)OCCOCCCCC 3608116e2778dffa8778e15858cb9aac [0,1,0,0,0,0|3,0,0]=4 4138 B12R0.248 C=CC(O)CNCCCCCCC 40cfabe0dbaed3d47b4d5861f0b6ca4c [0,1,0,0,0,0|2,0,1]=4 4139 B12R0.248 C=CCCCCCNCC(=O)CO 82f02cac0901f10357db01467cbe301f [0,1,0,0,0,0|1,0,2]=4 4140 B12R0.248 C=CCCCCCNCC(=O)NO 0101e8fe4bcc04b69f39e3c991474b2a [0,1,0,0,0,0|1,0,2]=4 4141 B12R0.248 C=CCCCCCNCC(=O)OC a4c628b10e1a7c79bc97e884a11a44a4 [0,1,0,0,0,0|1,0,2]=4 4142 B12R0.248 C=CCCCCCOCC(=O)OC 1ff41dfb3f700cb947df28a39f84a101 [0,1,0,0,0,0|1,0,2]=4 4143 B12R0.248 C=CCCCCNCCC(=O)NO 61929e55629ecf150b4b79f7d82786c7 [0,1,0,0,0,0|1,0,2]=4 4144 B12R0.248 C=CCCCCNCCC(=O)OC bca7e35b40c2bb76eb834b0f294ccfed [0,1,0,0,0,0|1,0,2]=4 4145 B12R0.248 C=CCCCCOCCC(=O)OC 9394d3fe008e651f841779e401ec78a4 [0,1,0,0,0,0|1,0,2]=4 4146 B12R0.248 C=CCCCNCCCC(=O)OC e50ff4ddd2e8d0028495364e1debeca5 [0,1,0,0,0,0|1,0,2]=4 4147 B12R0.248 C=CCCCOCCCC(=O)OC fdf05e01fb935f62736a0c3f69151c10 [0,1,0,0,0,0|1,0,2]=4 4148 B12R0.248 C=CCCNCCCCC(=O)OC 358630aa157173e8196368de8114629b [0,1,0,0,0,0|1,0,2]=4 4149 B12R0.248 C=CCCOCCCCC(=O)OC 5ca9e2be4739ee7cfa5219ded0a74c22 [0,1,0,0,0,0|1,0,2]=4 4150 B12R0.248 C=CCNCCCCCC(=O)OC 8a9d8754d7c2f5903ef0a949d11deb02 [0,1,0,0,0,0|1,0,2]=4 4151 B12R0.248 C=CCOCCCCCC(=O)OC 9142d3e316b96624cde51b1bff36c814 [0,1,0,0,0,0|1,0,2]=4 4152 B12R0.248 CC#CCCCOCCC(=O)OC 34ac77d1cdf157938ca37174062bf95e [0,1,0,0,0,0|1,0,2]=4 4153 B12R0.248 CC#CCCOCCCC(=O)OC 97cfe0c236b42cb1b48dea2a98b5c639 [0,1,0,0,0,0|1,0,2]=4 4154 B12R0.248 CC#CCNCCCCC(=O)OC d9b73fda26b08dbde3da913298d80770 [0,1,0,0,0,0|1,0,2]=4 4155 B12R0.248 CC#CCOCCCCC(=O)OC a547b59ce252f66deca42099736499c8 [0,1,0,0,0,0|1,0,2]=4 4156 B12R0.248 CC/C=C/CCOCCC(=O)OC 08c2cb464814ce74c290857597eff0cc [0,1,0,0,0,0|1,0,2]=4 4157 B12R0.248 CC/C=C/CNCCCC(=O)OC 06e3f2fe73aa72fc13c04b7896cb7d34 [0,1,0,0,0,0|1,0,2]=4 4158 B12R0.248 CC/C=C/COCCCC(=O)OC 623e3ee37e1bcc04cd69d236af502104 [0,1,0,0,0,0|1,0,2]=4 4159 B12R0.248 CC/C=C\CCCOCC(=O)OC 33767f297a0786df1f7dfbd63a249d4e [0,1,0,0,0,0|1,0,2]=4 4160 B12R0.248 CC/C=C\CCNCCC(=O)NO 354de54201d0e0fdd5ef7b0ddc0da5a9 [0,1,0,0,0,0|1,0,2]=4 4161 B12R0.248 CC/C=C\CCNCCC(=O)OC c46826eda72b51255cf3e3a96fd28d3a [0,1,0,0,0,0|1,0,2]=4 4162 B12R0.248 CC/C=C\CCOCCC(=O)OC 5339154ac60cace9c667b974472ac93d [0,1,0,0,0,0|1,0,2]=4 4163 B12R0.248 CC/C=C\COCCCC(=O)OC 5fbac3bd6371b8561b5ff19e21d6a191 [0,1,0,0,0,0|1,0,2]=4 4164 B12R0.248 CC=CCCCOCCC(=O)OC 57dfa1da473d97abaae19a823dfc7a9b [0,1,0,0,0,0|1,0,2]=4 4165 B12R0.248 CC=CCNCCCCC(=O)OC 12ec4d09eb16875443edd041f4ed3c64 [0,1,0,0,0,0|1,0,2]=4 4166 B12R0.248 CC=CCOCCCCC(=O)OC a8900805f9fc94b93ab7f4a57ce8f1c9 [0,1,0,0,0,0|1,0,2]=4 4167 B12R0.248 CCC#CCCOCCC(=O)OC 45785dcd26768c0bd43598c419e76ddc [0,1,0,0,0,0|1,0,2]=4 4168 B12R0.248 CCC#CCOCCCC(=O)OC aa36f5b35cd091910fcc94c62d2e24c8 [0,1,0,0,0,0|1,0,2]=4 4169 B12R0.248 CCC(=O)CCCCNCCCCl 52db5633876bc44443e8038f2565a8ef [0,1,0,0,0,0|3,0,0]=4 4170 B12R0.248 CCC(=O)CCCCNCCCO df1bfbaf6a8eb3e412a85304a958c02b [0,1,0,0,0,0|3,0,0]=4 4171 B12R0.248 CCC(=O)CCCCNCCOC 043094368922a2b2a4c95d17b3c5260f [0,1,0,0,0,0|3,0,0]=4 4172 B12R0.248 CCC(=O)CCCCNCCSC 48e66b859a2cd17f1c5b0ca803f70a06 [0,1,0,0,0,0|3,0,0]=4 4173 B12R0.248 CCC(=O)CCCCOCCCF b6abe37b1a2447b8232b451a88d6673c [0,1,0,0,0,0|3,0,0]=4 4174 B12R0.248 CCC(=O)CCCCOCCCS 7da0433b2903f7bbb3887e291eda4178 [0,1,0,0,0,0|3,0,0]=4 4175 B12R0.248 CCC(=O)CCCCOCCOC a4174f75ce18ce401e2d015276251167 [0,1,0,0,0,0|3,0,0]=4 4176 B12R0.248 CCC(=O)CCCCOCCSC 1e0495e0808031139a90ad11e4f93dc8 [0,1,0,0,0,0|3,0,0]=4 4177 B12R0.248 CCC(=O)CNCCCCCCCl 15b711b67723864bb6870df906c803dc [0,1,0,0,0,0|3,0,0]=4 4178 B12R0.248 CCC(=O)CNCCCCCCO 3bd6495eb8a44431ecbf0b7f93a3732c [0,1,0,0,0,0|3,0,0]=4 4179 B12R0.248 CCC(=O)CNCCCCCOC bf6576c1ab05016e3e0b558503cb3c7e [0,1,0,0,0,0|3,0,0]=4 4180 B12R0.248 CCC(=O)COCCCCCCF f84c0266d0bdada97574a117de11577b [0,1,0,0,0,0|3,0,0]=4 4181 B12R0.248 CCC(=O)COCCCCCCS ff88f3593acf82bc428acc7729e20e21 [0,1,0,0,0,0|3,0,0]=4 4182 B12R0.248 CCC(=O)COCCCCCOC 1809792bfd10bb7959865f765295b78f [0,1,0,0,0,0|3,0,0]=4 4183 B12R0.248 CCC(=O)NCCCCCCCO 6eed6530831d420f466164dc32f13bd7 [0,1,0,0,0,0|3,0,0]=4 4184 B12R0.248 CCC/C=C/CNCCC(=O)NO 4dac91fdeb7fcc3ae937a067907e377f [0,1,0,0,0,0|1,0,2]=4 4185 B12R0.248 CCC/C=C/CNCCC(=O)OC b144ac586277f79ca713d7c36403235a [0,1,0,0,0,0|1,0,2]=4 4186 B12R0.248 CCC/C=C/COCCC(=O)OC dfdc696abd3bfdf0179f9bc570c2f8e0 [0,1,0,0,0,0|1,0,2]=4 4187 B12R0.248 CCC/C=C\CCOCC(=O)OC ef4e3b273988452c912c65b248282ee3 [0,1,0,0,0,0|1,0,2]=4 4188 B12R0.248 CCC/C=C\CNCCC(=O)NO 13abe5060d64825a5f04904153685dc4 [0,1,0,0,0,0|1,0,2]=4 4189 B12R0.248 CCC/C=C\CNCCC(=O)OC 567ef33c6baf29771a2e16ce50db078e [0,1,0,0,0,0|1,0,2]=4 4190 B12R0.248 CCC/C=C\COCCC(=O)OC 057d98792117176727432b542298aba6 [0,1,0,0,0,0|1,0,2]=4 4191 B12R0.248 CCCC#CCCOCC(=O)OC 329db3d62d3f0d05c23c5d66aa256a5e [0,1,0,0,0,0|1,0,2]=4 4192 B12R0.248 CCCC#CCOCCC(=O)OC c9f2f50d9958cd808235993c465f564f [0,1,0,0,0,0|1,0,2]=4 4193 B12R0.248 CCCC/C=C/CNCC(=O)NO c1978a2a63ccbc4623d8ee3c100db968 [0,1,0,0,0,0|1,0,2]=4 4194 B12R0.248 CCCC/C=C/CNCC(=O)OC 2238e6859741601f307ad72f9eab2cee [0,1,0,0,0,0|1,0,2]=4 4195 B12R0.248 CCCC/C=C/COCC(=O)OC 59c42c9b842c8ce1475fd05126a2ee05 [0,1,0,0,0,0|1,0,2]=4 4196 B12R0.248 CCCC/C=C\CNCC(=O)NO 434e783675537e20844985d3c9dab448 [0,1,0,0,0,0|1,0,2]=4 4197 B12R0.248 CCCC/C=C\CNCC(=O)OC b79e06c82cbd65ea19065a8f4f16fb90 [0,1,0,0,0,0|1,0,2]=4 4198 B12R0.248 CCCC/C=C\COCC(=O)OC d06c100fefc83b382e9829320a80ff8d [0,1,0,0,0,0|1,0,2]=4 4199 B12R0.248 CCCCC#CCOCC(=O)OC 8ed4f3a0313f013e51bb0f0cd6599b39 [0,1,0,0,0,0|1,0,2]=4 4200 B12R0.248 CCCCCCCCCN(C)C=O 99247f383e132de9ebd00d705ff46dca [0,1,0,0,0,0|2,0,0]=3 4201 B12R0.248 CCCCCCCCCN(C)CC a5d0856f18c569967bb7ff2510b586f9 [0,1,0,0,0,0|3,0,0]=4 4202 B12R0.248 CCCCCCCCCN(C)CF 915e80195ba3d30f9ab7e62941628a87 [0,1,0,0,0,0|3,0,0]=4 4203 B12R0.248 CCCCCCCCCN(C)CO f2b28438a5f9acff1bec3fbec3b1ae3a [0,1,0,0,0,0|2,0,0]=3 4204 B12R0.248 CCCCCCCCNC(=O)C=O 8a08c13bee9c51abb915d74ea4361bf9 [0,1,0,0,0,0|1,0,1]=3 4205 B12R0.248 CCCCCCCCNC(=O)CC 8d5ca65c7bc055f65ae9b9c0d4864e57 [0,1,0,0,0,0|2,0,0]=3 4206 B12R0.248 CCCCCCCCNC(=O)CF c4db3ee1a17357dbe65197ea56878593 [0,1,0,0,0,0|2,0,0]=3 4207 B12R0.248 CCCCCCCCNC(=O)CO 1b2314c0db76d0a277cf2f0f4d94503d [0,1,0,0,0,0|1,0,0]=2 4208 B12R0.248 CCCCCCCCNC(=O)CS c3e84d69a8fd363779f35405d911eb5a [0,1,0,0,0,0|1,1,0]=3 4209 B12R0.248 CCCCCCCCNC(C)C=O 4d909a5c4f6c0c87bc35f2882c2f189f [0,1,0,0,0,0|2,0,1]=4 4210 B12R0.248 CCCCCCCCNC(C)CO 691930e7ee9f2252c33826e262a83a7b [0,1,0,0,0,0|2,0,1]=4 4211 B12R0.248 CCCCCCCCN[C@@H](C)CO 07df57f5908b145777f7ba5962e16cae [0,1,0,0,0,0|2,0,1]=4 4212 B12R0.248 CCCCCCCCN[C@H](C)C=O 18ae31881e02a9f5e7c5bc7565961aa2 [0,1,0,0,0,0|2,0,1]=4 4213 B12R0.248 CCCCCCCCN[C@H](C)CO 367e68bc9cb86406686317ae8915801d [0,1,0,0,0,0|2,0,1]=4 4214 B12R0.248 CCCCCCCCOC(C)C=O 48ea74792949b20106746f4281a651f0 [0,1,0,0,0,0|2,0,1]=4 4215 B12R0.248 CCCCCCCCO[C@H](C)C=O e7c5b7781b1097ba11b88c78ab429552 [0,1,0,0,0,0|2,0,1]=4 4216 B12R0.248 CCCCCCCNC/C(=C/Cl)/Cl 254977d158b84fc2a3354a23f8cb1bc3 [0,1,0,0,0,0|3,0,0]=4 4217 B12R0.248 CCCCCCCNCC(=O)CC 89ed05db9bec07e2e6db05ecef7a0fca [0,1,0,0,0,0|2,0,0]=3 4218 B12R0.248 CCCCCCCNCC(=O)CO 78260d7bffbe5c9bc7eb28ddafc55fae [0,1,0,0,0,0|1,0,0]=2 4219 B12R0.248 CCCCCCCNCC(=O)NC 6d9648dacdcc37bc39a5a62812b40b4f [0,1,0,0,0,0|2,0,0]=3 4220 B12R0.248 CCCCCCCNCC(=O)NO 466eb679593197d7932fa512c2129bdc [0,1,0,0,0,0|1,0,0]=2 4221 B12R0.248 CCCCCCCNCC(=O)OC 2a593dbd0b5d06f61843f359317cdf86 [0,1,0,0,0,0|1,0,0]=2 4222 B12R0.248 CCCCCCCNCC(C)CO c66e525eafcba3acd5a64eb7c7de82b2 [0,1,0,0,0,0|2,0,1]=4 4223 B12R0.248 CCCCCCCNCC(C)OC 12427664f58653b270952775996b1b60 [0,1,0,0,0,0|2,0,1]=4 4224 B12R0.248 CCCCCCCNCC(F)CO ca02ce3cdd2d4e4b7ea15fdf29b8f59f [0,1,0,0,0,0|2,0,1]=4 4225 B12R0.248 CCCCCCCNCC(O)CC 6bfffbeb1344eb76a9abeaee0db5163b [0,1,0,0,0,0|2,0,1]=4 4226 B12R0.248 CCCCCCCNCC(O)CF 0f8f6cd7b4465f2d0b594f8204f908d2 [0,1,0,0,0,0|2,0,1]=4 4227 B12R0.248 CCCCCCCNCC(O)CO 9afea52ca8722ada70c2f09e63e788cd [0,1,0,0,0,0|1,0,2]=4 4228 B12R0.248 CCCCCCCNC[C@@H](C)CO 6da6ce4cf2711418c5cb665f9953dc70 [0,1,0,0,0,0|2,0,1]=4 4229 B12R0.248 CCCCCCCNC[C@@H](C)OC 69689cab1ba2528997a5fd9ba7582780 [0,1,0,0,0,0|2,0,1]=4 4230 B12R0.248 CCCCCCCNC[C@@H](F)CO 57393e78caa9829fe88f26e0b54941dd [0,1,0,0,0,0|2,0,1]=4 4231 B12R0.248 CCCCCCCNC[C@@H](O)CO 5f1ca85a80ea13607b6b264d64a6ba8f [0,1,0,0,0,0|1,0,2]=4 4232 B12R0.248 CCCCCCCNC[C@H](C)CO 512d941bf12e52d1f452076e2dd98123 [0,1,0,0,0,0|2,0,1]=4 4233 B12R0.248 CCCCCCCNC[C@H](C)OC 9ff56a0c318e23ca54280026ef7717bc [0,1,0,0,0,0|2,0,1]=4 4234 B12R0.248 CCCCCCCNC[C@H](F)CO eb7388c10575ec742adb18bf8921cc18 [0,1,0,0,0,0|2,0,1]=4 4235 B12R0.248 CCCCCCCNC[C@H](O)CC 012a92f8cbf2c944047eade9e2501a07 [0,1,0,0,0,0|2,0,1]=4 4236 B12R0.248 CCCCCCCNC[C@H](O)CO 858579fb9b2ee7593835f5359cac34e0 [0,1,0,0,0,0|1,0,2]=4 4237 B12R0.248 CCCCCCCOC/C(=C/Cl)/Cl 84f713bbec0181530ca9cc89b61261a5 [0,1,0,0,0,0|3,0,0]=4 4238 B12R0.248 CCCCCCCOC/C(=C/I)/C ef3152235bc71aa9ee07a292c3aa0860 [0,1,0,0,0,0|3,0,0]=4 4239 B12R0.248 CCCCCCCOCC(=CI)C 8fcf1b75b1d1113104218bdb2cb469cb [0,1,0,0,0,0|3,0,0]=4 4240 B12R0.248 CCCCCCCOCC(=O)CC a8acc97960556a375783be8199237dca [0,1,0,0,0,0|2,0,0]=3 4241 B12R0.248 CCCCCCCOCC(=O)NC f6472919275e3b150f6c0e20fb6ced2d [0,1,0,0,0,0|2,0,0]=3 4242 B12R0.248 CCCCCCCOCC(=O)OC 04031205afbe774e5f21f17cc5098880 [0,1,0,0,0,0|1,0,0]=2 4243 B12R0.248 CCCCCCCOCC(C)OC ede828090ce1b3f5d1f6ead52428d66b [0,1,0,0,0,0|2,0,1]=4 4244 B12R0.248 CCCCCCCOCC(O)CO b7968decdf391a6e1f275ba687c17c80 [0,1,0,0,0,0|1,0,2]=4 4245 B12R0.248 CCCCCCCOC[C@@H](C)OC ba29b8bd3770fffbb38508f11c9cdded [0,1,0,0,0,0|2,0,1]=4 4246 B12R0.248 CCCCCCCOC[C@@H](O)CO 578ae06ebfc921f009c88093d935a3fa [0,1,0,0,0,0|1,0,2]=4 4247 B12R0.248 CCCCCCCOC[C@H](C)OC 5e5d407c76b62f4d6065605fd32997c5 [0,1,0,0,0,0|2,0,1]=4 4248 B12R0.248 CCCCCCCOC[C@H](O)CO 4e16fd13f50d197d72e3c151b9b5054a [0,1,0,0,0,0|1,0,2]=4 4249 B12R0.248 CCCCCCNCCC(=O)NC f03ff6a74684820323d170d68c8c9cc7 [0,1,0,0,0,0|2,0,0]=3 4250 B12R0.248 CCCCCCNCCC(=O)NO a8c78afb268cd1328fe70b732051854a [0,1,0,0,0,0|1,0,0]=2 4251 B12R0.248 CCCCCCNCCC(=O)OC 88018f823e6b9b368e308c072245caf2 [0,1,0,0,0,0|1,0,0]=2 4252 B12R0.248 CCCCCCNCCC(C)CO 504977974d38fdea0e356fcbb30e426e [0,1,0,0,0,0|2,0,1]=4 4253 B12R0.248 CCCCCCNCCC(O)CO ce8edc3ac7dd8b7ceb3a76bc9758ba22 [0,1,0,0,0,0|1,0,2]=4 4254 B12R0.248 CCCCCCNCCS(=O)CC e964d1c90a957a19479bf0a95bb8a4ec [0,1,0,0,0,0|3,0,0]=4 4255 B12R0.248 CCCCCCNCC[C@@H](C)CO 74511eb67258178be77544d52e2594e6 [0,1,0,0,0,0|2,0,1]=4 4256 B12R0.248 CCCCCCNCOC(=O)CC de7acfa60fcfbcd75fcb15b0338dbcdd [0,1,0,0,0,0|3,0,0]=4 4257 B12R0.248 CCCCCCNCOC(=O)OC bee4c1191bdb64c03121e2b1fdaf6261 [0,1,0,0,0,0|2,0,0]=3 4258 B12R0.248 CCCCCCOCCC(=O)NC dc8f3be555a715028c848fc47355aefa [0,1,0,0,0,0|2,0,0]=3 4259 B12R0.248 CCCCCCOCCC(=O)OC fcfca6f4a105eb36c6bdf010574fee04 [0,1,0,0,0,0|1,0,0]=2 4260 B12R0.248 CCCCCCOCCC(C)OC 8baa815023902eeec2134340266a7918 [0,1,0,0,0,0|2,0,1]=4 4261 B12R0.248 CCCCCCOCCN(C)C=O 7fb26b9c90aa644da7a0173310926453 [0,1,0,0,0,0|3,0,0]=4 4262 B12R0.248 CCCCCCOCOC(=O)CC 3b1eb2d7210e074df13a997019128ed2 [0,1,0,0,0,0|3,0,0]=4 4263 B12R0.248 CCCCCCOCOC(=O)OC ece183946507c64ea1bf47b28c6807f3 [0,1,0,0,0,0|2,0,0]=3 4264 B12R0.248 CCCCCNC/C=C/C(=O)OC 70c858835df86f408c211f981d46763f [0,1,0,0,0,0|1,0,2]=4 4265 B12R0.248 CCCCCNC/C=C\C(=O)OC 4d4efc8bc818675609d9a6849ad99f0f [0,1,0,0,0,0|1,0,2]=4 4266 B12R0.248 CCCCCNCC#CC(=O)OC 81df4a10bdf114f27e2cbc2a2e4d33db [0,1,0,0,0,0|1,0,2]=4 4267 B12R0.248 CCCCCNCC=CC(=O)OC 7bd7bd9430fda515f90324f65a892be0 [0,1,0,0,0,0|1,0,2]=4 4268 B12R0.248 CCCCCNCCCC(=O)NC 9e3cd31bd5bd22bd1e57817a487c3f2c [0,1,0,0,0,0|2,0,0]=3 4269 B12R0.248 CCCCCNCCCC(=O)OC df636db288139b82b44ccdc35fadd3aa [0,1,0,0,0,0|1,0,0]=2 4270 B12R0.248 CCCCCNCCCC(C)CO 75f4715a7fdd4014f169ec0d56ead1f2 [0,1,0,0,0,0|2,0,1]=4 4271 B12R0.248 CCCCCNCCNC(=O)CC cdceed1f0b72ea8f2dfb8d1c096a0193 [0,1,0,0,0,0|3,0,0]=4 4272 B12R0.248 CCCCCOC/C=C/C(=O)OC b64f88cac1fa45b860e98adfff12eb1b [0,1,0,0,0,0|1,0,2]=4 4273 B12R0.248 CCCCCOC/C=C\C(=O)OC 9c5e736562ff53312c6cd34c13bf4f02 [0,1,0,0,0,0|1,0,2]=4 4274 B12R0.248 CCCCCOCC#CC(=O)OC 6a87dee1cd4b80f4f8802530b6b63a71 [0,1,0,0,0,0|1,0,2]=4 4275 B12R0.248 CCCCCOCC=CC(=O)OC ae15838d7192ab0d8d26d23881dc06e6 [0,1,0,0,0,0|1,0,2]=4 4276 B12R0.248 CCCCCOCCCC(=O)NC 26adbe93f4240f6151d8eb03ba68d821 [0,1,0,0,0,0|2,0,0]=3 4277 B12R0.248 CCCCCOCCCC(=O)OC 6d595d79d4a782dba780cd78bb66a9c8 [0,1,0,0,0,0|1,0,0]=2 4278 B12R0.248 CCCCCOCCNC(=O)CC dc63ddbc4f1369b6b1650cd52229a426 [0,1,0,0,0,0|3,0,0]=4 4279 B12R0.248 CCCCCOCCOC(=O)CC c5dcbbaf984711ca2355a0d7dcdc1660 [0,1,0,0,0,0|3,0,0]=4 4280 B12R0.248 CCCCCOCCOC(=O)OC 959bff4929d622ff13c888beceb3b015 [0,1,0,0,0,0|2,0,0]=3 4281 B12R0.248 CCCCNCCCCC(=O)CC 75ca588ca1aaa2c811fe1088d3346fe6 [0,1,0,0,0,0|2,0,0]=3 4282 B12R0.248 CCCCNCCCCC(=O)OC 581f41ce8229ec98b014f7c6df60648e [0,1,0,0,0,0|1,0,0]=2 4283 B12R0.248 CCCCNCCOCC(=O)OC 5c4255bebbafa583bf8806a236c674c5 [0,1,0,0,0,0|2,0,0]=3 4284 B12R0.248 CCCCOCCCCC(=O)CC e302404d6275421b52ba8d82a0a0ca19 [0,1,0,0,0,0|2,0,0]=3 4285 B12R0.248 CCCCOCCCCC(=O)OC dd999d0123fc4f5efca686b1cd68edc5 [0,1,0,0,0,0|1,0,0]=2 4286 B12R0.248 CCCCOCCCNC(=O)C=O 3f108c706eec442f8d27081f5f15356a [0,1,0,0,0,0|2,0,1]=4 4287 B12R0.248 CCCCOCCCNC(=O)CC 8c32a8226d92a17d8be681c140dc721d [0,1,0,0,0,0|3,0,0]=4 4288 B12R0.248 CCCCOCCCNC(=O)CF 2906e3eadb5484d4907924886d82c387 [0,1,0,0,0,0|3,0,0]=4 4289 B12R0.248 CCCCOCCCNC(=O)CO 087682cecf6183cae64e9b91369034ed [0,1,0,0,0,0|2,0,0]=3 4290 B12R0.248 CCCCOCCCNC(=O)CS c59f0f40ea741739811fc4013c9f1030 [0,1,0,0,0,0|2,1,0]=4 4291 B12R0.248 CCCCOCCNCC(=O)CC 75d8a218093f78d329e5af052bed1a65 [0,1,0,0,0,0|3,0,0]=4 4292 B12R0.248 CCCCOCCNCC(=O)CO 0f6869b585c1cc45e54d6cf12ec4ef7c [0,1,0,0,0,0|2,0,0]=3 4293 B12R0.248 CCCCOCCNCC(=O)NC f898608fb7ef4ddfb6fa13e9c77dc7d8 [0,1,0,0,0,0|3,0,0]=4 4294 B12R0.248 CCCCOCCNCC(=O)NO d8a7d4f40266a58a7d1785de62242136 [0,1,0,0,0,0|2,0,0]=3 4295 B12R0.248 CCCCOCCNCC(=O)OC 74a694a213d8fbe68f34631ef61343ca [0,1,0,0,0,0|2,0,0]=3 4296 B12R0.248 CCCCOCCOCC(=O)CC f8726fa251e7ad9e9e69f1f33724cf83 [0,1,0,0,0,0|3,0,0]=4 4297 B12R0.248 CCCCOCCOCC(=O)NC ac82276108a30c92d813f13018c5fe49 [0,1,0,0,0,0|3,0,0]=4 4298 B12R0.248 CCCCOCCOCC(=O)OC 89e5eb57f9e7cc4bc78d0b574208e016 [0,1,0,0,0,0|2,0,0]=3 4299 B12R0.248 CCCCOCNCCC(=O)NC 793b661b19051b73a51a1600b22997d5 [0,1,0,0,0,0|3,0,0]=4 4300 B12R0.248 CCCCOCNCCC(=O)NO ab45d44abe5b16471055ec514311a259 [0,1,0,0,0,0|2,0,0]=3 4301 B12R0.248 CCCCOCNCCC(=O)OC 35b500e39525256661d143221b8cca4b [0,1,0,0,0,0|2,0,0]=3 4302 B12R0.248 CCCCOCOCCC(=O)NC ce7811e66f6af02315abc30465b090dc [0,1,0,0,0,0|3,0,0]=4 4303 B12R0.248 CCCCOCOCCC(=O)OC 8b2491aaa475fceebe5f1f149aac5b84 [0,1,0,0,0,0|2,0,0]=3 4304 B12R0.248 CCCCSCCOCC(=O)CC 372f02d9258a1c8a160b99b888c2d707 [0,1,0,0,0,0|3,0,0]=4 4305 B12R0.248 CCCCSCCOCC(=O)NC ca1fa540b738ce75e5bf3aee2e912ff9 [0,1,0,0,0,0|3,0,0]=4 4306 B12R0.248 CCCCSCCOCC(=O)OC 145c4c3a5eb2ca080e078e83a0e608f4 [0,1,0,0,0,0|2,0,0]=3 4307 B12R0.248 CCCNCCCCCC(=O)OC 50a153133ff67a283d48c3f51024f3bc [0,1,0,0,0,0|1,0,0]=2 4308 B12R0.248 CCCNCCCOCC(=O)OC b2aa7a5284f8591f17b473536da738ed [0,1,0,0,0,0|2,0,0]=3 4309 B12R0.248 CCCNCCCSCC(=O)OC b3335d0864fc04e62cdc98eb684525c6 [0,1,0,0,0,0|2,0,0]=3 4310 B12R0.248 CCCOCCCCCC(=O)OC 852d725e6d7eda057314915a42d96742 [0,1,0,0,0,0|1,0,0]=2 4311 B12R0.248 CCCOCCCNCC(=O)CC 011b5ed9b3ea255ad0d64e184a310b69 [0,1,0,0,0,0|3,0,0]=4 4312 B12R0.248 CCCOCCCNCC(=O)CO db8f51a8757a697da0933cf97ee3aefe [0,1,0,0,0,0|2,0,0]=3 4313 B12R0.248 CCCOCCCNCC(=O)NC d0bf5d40be163a4fdf55851a16ff1767 [0,1,0,0,0,0|3,0,0]=4 4314 B12R0.248 CCCOCCCNCC(=O)NO 144cf90415edd89fabcd615e46b71253 [0,1,0,0,0,0|2,0,0]=3 4315 B12R0.248 CCCOCCCNCC(=O)OC 9c1c87eb62581407822b7f3c4196991b [0,1,0,0,0,0|2,0,0]=3 4316 B12R0.248 CCCOCCCOCC(=O)CC 3d5a90d91906d494b786ce6fb0994cf6 [0,1,0,0,0,0|3,0,0]=4 4317 B12R0.248 CCCOCCCOCC(=O)NC 17d60232e22fca00a9030372005c49a4 [0,1,0,0,0,0|3,0,0]=4 4318 B12R0.248 CCCOCCCOCC(=O)OC d8c6a362f9f11e152b9e6f7b79f3b153 [0,1,0,0,0,0|2,0,0]=3 4319 B12R0.248 CCCOCCCSCC(=O)OC 352c21c3b8775780a1f5e81633558eeb [0,1,0,0,0,0|2,0,0]=3 4320 B12R0.248 CCCOCCNCCC(=O)NC 72f4d2d619b2c117c225542e4490cedb [0,1,0,0,0,0|3,0,0]=4 4321 B12R0.248 CCCOCCNCCC(=O)NO 16f159f94710cdd6df4728c3f580e7b4 [0,1,0,0,0,0|2,0,0]=3 4322 B12R0.248 CCCOCCNCCC(=O)OC 35af4a5bb785702b1c7d1831c9a23905 [0,1,0,0,0,0|2,0,0]=3 4323 B12R0.248 CCCOCCNCOC(=O)OC b4eda17b052f9b1c706967f6d17d047e [0,1,0,0,0,0|3,0,0]=4 4324 B12R0.248 CCCOCCOCCC(=O)NC e1cb25775fea9e2223fa40cdcbae9dc9 [0,1,0,0,0,0|3,0,0]=4 4325 B12R0.248 CCCOCCOCCC(=O)OC a89b6adface311e78cbe8e8138bacded [0,1,0,0,0,0|2,0,0]=3 4326 B12R0.248 CCCOCCOCOC(=O)OC 6df05e2b2595ed95be680a7bcc704804 [0,1,0,0,0,0|3,0,0]=4 4327 B12R0.248 CCCSCCCCNC(=O)C=O 09ae09e84b96388f5fbe2ecd60caf788 [0,1,0,0,0,0|2,0,1]=4 4328 B12R0.248 CCCSCCCCNC(=O)CC 6ef64e56d6e70e23a877afb15366a972 [0,1,0,0,0,0|3,0,0]=4 4329 B12R0.248 CCCSCCCCNC(=O)CF 893a3cf948f463424ce2375006502259 [0,1,0,0,0,0|3,0,0]=4 4330 B12R0.248 CCCSCCCCNC(=O)CO 3540e96ec315a4b54c613ead14223674 [0,1,0,0,0,0|2,0,0]=3 4331 B12R0.248 CCCSCCCCNC(=O)CS 1aa5bc2e9dff082bebf06d754e7afcec [0,1,0,0,0,0|2,1,0]=4 4332 B12R0.248 CCCSCCOCCC(=O)NC 995781840eade2e69f52f70c2ba6c3ed [0,1,0,0,0,0|3,0,0]=4 4333 B12R0.248 CCCSCCOCCC(=O)OC 85f0fccad2b77557055b9c6707ac1159 [0,1,0,0,0,0|2,0,0]=3 4334 B12R0.248 CCCSCCOCOC(=O)OC 926010db241241d47e7af1bc7db039ee [0,1,0,0,0,0|3,0,0]=4 4335 B12R0.248 CCNCCCCCCC(=O)OC 1cc47f298a3d094fe024703851966ff0 [0,1,0,0,0,0|1,0,0]=2 4336 B12R0.248 CCOCCCCCCC(=O)OC 86e68201f215ac95030704e4770cdead [0,1,0,0,0,0|1,0,0]=2 4337 B12R0.248 CCOCCCNCCC(=O)NC 3dadd0370c49b0afaf99aea5a1e6452f [0,1,0,0,0,0|3,0,0]=4 4338 B12R0.248 CCOCCCNCCC(=O)NO df3a4053e1afd16b7bf8c21288fe718d [0,1,0,0,0,0|2,0,0]=3 4339 B12R0.248 CCOCCCNCCC(=O)OC d9235f04256776355ebd81171f13737c [0,1,0,0,0,0|2,0,0]=3 4340 B12R0.248 CCOCCCNCOC(=O)OC b7fa64a3aa9e7807abe2fce023788106 [0,1,0,0,0,0|3,0,0]=4 4341 B12R0.248 CCOCCCOCCC(=O)NC d0d8e215339562d4e030170b49945076 [0,1,0,0,0,0|3,0,0]=4 4342 B12R0.248 CCOCCCOCCC(=O)OC f43e2a7eae5b1694cfc0c56370a39441 [0,1,0,0,0,0|2,0,0]=3 4343 B12R0.248 CCOCCCOCOC(=O)OC c483c8307db2c91fb847b71b1f9a2a7a [0,1,0,0,0,0|3,0,0]=4 4344 B12R0.248 CCOCCNCCCC(=O)NC ff27fc09021a9b263440707f5e20662a [0,1,0,0,0,0|3,0,0]=4 4345 B12R0.248 CCOCCNCCCC(=O)OC 7da5cb5b39e907bead146b139ade95a5 [0,1,0,0,0,0|2,0,0]=3 4346 B12R0.248 CCOCCOCCCC(=O)NC c385876a359adb5396169d6c5c603207 [0,1,0,0,0,0|3,0,0]=4 4347 B12R0.248 CCOCCOCCCC(=O)OC 43038f2c2e555b478f6609b939240189 [0,1,0,0,0,0|2,0,0]=3 4348 B12R0.248 CCOCCOCCNC(=O)CO 31d8ec841d88b62a77765112e00ad11c [0,1,0,0,0,0|3,0,0]=4 4349 B12R0.248 CCOCCOCCOC(=O)OC e58e0c4eca4cdf2b88ad67dcda0aaabd [0,1,0,0,0,0|3,0,0]=4 4350 B12R0.248 CCOCNCCCCC(=O)OC 966b91d864aaa40ea1dcafe6f13e1f05 [0,1,0,0,0,0|2,0,0]=3 4351 B12R0.248 CCOCOCCCCC(=O)OC bc297d7a2b127a12b0faa0f414b0e8ab [0,1,0,0,0,0|2,0,0]=3 4352 B12R0.248 CCOCOCCOCC(=O)OC e5a94cbce87aadf8e4a26ac7f9db3553 [0,1,0,0,0,0|3,0,0]=4 4353 B12R0.248 CCSCCCCNCC(=O)CC 4bf4db053254de358f5e68cdbc3a3d64 [0,1,0,0,0,0|3,0,0]=4 4354 B12R0.248 CCSCCCCNCC(=O)CO d8727184cedc77c89a3f31d46b051192 [0,1,0,0,0,0|2,0,0]=3 4355 B12R0.248 CCSCCCCNCC(=O)NC 1a13095f2ac38049bb97fe2a35bbad32 [0,1,0,0,0,0|3,0,0]=4 4356 B12R0.248 CCSCCCCNCC(=O)OC 2368177f1d00eaadb858c99712d5391f [0,1,0,0,0,0|2,0,0]=3 4357 B12R0.248 CCSCCCNCCC(=O)NC ed804d3c3c3c6034a90c5cbddf1ff1f7 [0,1,0,0,0,0|3,0,0]=4 4358 B12R0.248 CCSCCCNCCC(=O)NO 13a793efa38843ebfd1c36d8ac96143a [0,1,0,0,0,0|2,0,0]=3 4359 B12R0.248 CCSCCCNCCC(=O)OC b5c11d6e903cc927f9a35805073bcfda [0,1,0,0,0,0|2,0,0]=3 4360 B12R0.248 CCSCCCOCCC(=O)NC 955ef0f8a208e6b194b144eed86adbf9 [0,1,0,0,0,0|3,0,0]=4 4361 B12R0.248 CCSCCCOCCC(=O)OC 04c5e4a8ae081d870066ed55798da268 [0,1,0,0,0,0|2,0,0]=3 4362 B12R0.248 CCSCCCOCOC(=O)OC 972be63222c22904d0ce039004fbf3ff [0,1,0,0,0,0|3,0,0]=4 4363 B12R0.248 CCSCCNCCCC(=O)NC 5610d73d51a0dacccadd6d46e4cdc6ab [0,1,0,0,0,0|3,0,0]=4 4364 B12R0.248 CCSCCNCCCC(=O)OC da0a8af8abd5757102123198388ea5e0 [0,1,0,0,0,0|2,0,0]=3 4365 B12R0.248 CCSCCOCCCC(=O)NC e4189dd49d6c5616b55e59ae679b152d [0,1,0,0,0,0|3,0,0]=4 4366 B12R0.248 CCSCCOCCCC(=O)OC a5bb7550b2a8003826b24d020334fa09 [0,1,0,0,0,0|2,0,0]=3 4367 B12R0.248 CCSCCOCCOC(=O)OC 5d76ba52c4b2c8c620fd33f026f77fd5 [0,1,0,0,0,0|3,0,0]=4 4368 B12R0.248 CNC(=O)CCCNCCCCCl 474a954d420bf400165c94946918af61 [0,1,0,0,0,0|3,0,0]=4 4369 B12R0.248 CNC(=O)CCCNCCCCO 0c9b127aef6325ecb396943305b18aee [0,1,0,0,0,0|3,0,0]=4 4370 B12R0.248 CNC(=O)CCCNCCCCS c8e613f5be08118da88a2df36105d61f [0,1,0,0,0,0|3,0,0]=4 4371 B12R0.248 CNC(=O)CCCNCCCOC f5ac038373c2caf1f21709c094833904 [0,1,0,0,0,0|3,0,0]=4 4372 B12R0.248 CNC(=O)CCCNCCCSC 4ae5d059c725f447ff0e46b7d8e45e3c [0,1,0,0,0,0|3,0,0]=4 4373 B12R0.248 CNC(=O)CCCOCCCCF 94a5abb6a07a84ac7115210c0ffc6018 [0,1,0,0,0,0|3,0,0]=4 4374 B12R0.248 CNC(=O)CCCOCCCCS b788e3346aac455e0b7044b4324d96b4 [0,1,0,0,0,0|3,0,0]=4 4375 B12R0.248 CNC(=O)CCCOCCCOC bede96d51c9d9004dbcc1f598509c607 [0,1,0,0,0,0|3,0,0]=4 4376 B12R0.248 CNC(=O)CCCOCCCSC d66533b353441328197cb7fa4d4a492f [0,1,0,0,0,0|3,0,0]=4 4377 B12R0.248 CNC(=O)CCNCCCCCCl 2996ef4157e3c48f8e804e0b23f2841e [0,1,0,0,0,0|3,0,0]=4 4378 B12R0.248 CNC(=O)CCNCCCCCF 6f885be4555b6a0722fd406c836e654e [0,1,0,0,0,0|3,0,0]=4 4379 B12R0.248 CNC(=O)CCNCCCCCO 46a89c0c3fbf439155d6cd121dad2d49 [0,1,0,0,0,0|3,0,0]=4 4380 B12R0.248 CNC(=O)CCNCCCCOC dbe48dd65c43e96a82ca7b6ffc837548 [0,1,0,0,0,0|3,0,0]=4 4381 B12R0.248 CNC(=O)CCNCCCCSC 6b86dc1f80b6d7c86870407633fcf74e [0,1,0,0,0,0|3,0,0]=4 4382 B12R0.248 CNC(=O)CCOCCCCCF b087db8e2180e5297778d7f98329b47f [0,1,0,0,0,0|3,0,0]=4 4383 B12R0.248 CNC(=O)CCOCCCCOC 61d96d61e019b38774d9f4e27f7cc2bd [0,1,0,0,0,0|3,0,0]=4 4384 B12R0.248 CNC(=O)CCOCCCCSC 24c2535cba9823daa7f71a658e758977 [0,1,0,0,0,0|3,0,0]=4 4385 B12R0.248 CNC(=O)CNCCCCCCCl 9647823af72d830d44a4c95cc7d6e8d3 [0,1,0,0,0,0|3,0,0]=4 4386 B12R0.248 CNC(=O)CNCCCCCCF f87d042d11245780a79cff7397c1ba35 [0,1,0,0,0,0|3,0,0]=4 4387 B12R0.248 CNC(=O)CNCCCCCCO 6a0b89dbce36ea2cff5e649089e9a9de [0,1,0,0,0,0|3,0,0]=4 4388 B12R0.248 CNC(=O)CNCCCCCOC 74d7497b434f9165b9dcd6e150d095c3 [0,1,0,0,0,0|3,0,0]=4 4389 B12R0.248 CNC(=O)COCCCCCCF 5ebbe7523630d0e2804d91870f448d6a [0,1,0,0,0,0|3,0,0]=4 4390 B12R0.248 CNC(=O)COCCCCCCS e053a1c6682a4d3983ad09d0ec822199 [0,1,0,0,0,0|3,0,0]=4 4391 B12R0.248 CNC(=O)COCCCCCOC a3e60a80667f2fc926f03f1c2a5cd215 [0,1,0,0,0,0|3,0,0]=4 4392 B12R0.248 COC(=O)CCCCCCNC#N 649c1e5cd94f467e4becb409212a066c [0,1,0,0,0,0|2,0,1]=4 4393 B12R0.248 COC(=O)CCCCCCNC=O 304de860608c761d5ca20bea93980e1b [0,1,0,0,0,0|2,0,1]=4 4394 B12R0.248 COC(=O)CCCCCCNCF 00d2a79417200a97151f178431883d3a [0,1,0,0,0,0|2,0,0]=3 4395 B12R0.248 COC(=O)CCCCCCNCO 3a6384b8beafa85876670cf2dd11e09f [0,1,0,0,0,0|2,0,0]=3 4396 B12R0.248 COC(=O)CCCCCCOCF 3c60f089e493255ba7349bb800b8ea93 [0,1,0,0,0,0|2,0,0]=3 4397 B12R0.248 COC(=O)CCCCCNCC#N 20fd085aae08838970368badd2110481 [0,1,0,0,0,0|2,0,1]=4 4398 B12R0.248 COC(=O)CCCCCNCC=O 4cacbdd5adb6b53696f8b8858470ba74 [0,1,0,0,0,0|2,0,1]=4 4399 B12R0.248 COC(=O)CCCCCNCCBr eedf2cc64b954d2d1466dd96b2af1fa3 [0,1,0,0,0,0|2,0,0]=3 4400 B12R0.248 COC(=O)CCCCCNCCF e8065f118934ca3d5f63a601d3c3f41d [0,1,0,0,0,0|2,0,0]=3 4401 B12R0.248 COC(=O)CCCCCNCCI 32f2b0dda4ced89929de48404c3ee160 [0,1,0,0,0,0|2,0,0]=3 4402 B12R0.248 COC(=O)CCCCCNCCO 95607a8bf19c10d1da2194c02b8672e8 [0,1,0,0,0,0|2,0,0]=3 4403 B12R0.248 COC(=O)CCCCCNCCS 482d18f2f1eb4a29e7f89c6c45a82898 [0,1,0,0,0,0|2,0,0]=3 4404 B12R0.248 COC(=O)CCCCCNCSC 4cf48a1f15c73d7301c2eb1583c9b651 [0,1,0,0,0,0|2,0,0]=3 4405 B12R0.248 COC(=O)CCCCCOCC#N 35391e7d67d28c3289516fdf4a316d1a [0,1,0,0,0,0|2,0,1]=4 4406 B12R0.248 COC(=O)CCCCCOCC=O 35bd15de235845fc38f8030b9fe72991 [0,1,0,0,0,0|2,0,1]=4 4407 B12R0.248 COC(=O)CCCCCOCCF 3d8c8a4b1ff9fd3224cdeada597e8997 [0,1,0,0,0,0|2,0,0]=3 4408 B12R0.248 COC(=O)CCCCCOCCS c18bfb54b9cdcd89336a3e4417d301aa [0,1,0,0,0,0|2,0,0]=3 4409 B12R0.248 COC(=O)CCCCCOCSC 8e51b9ba05c4e153c5ec26bd024ed72d [0,1,0,0,0,0|2,0,0]=3 4410 B12R0.248 COC(=O)CCCCNCCC#N 554077dd38f3852a4c6232a940fcf988 [0,1,0,0,0,0|2,0,1]=4 4411 B12R0.248 COC(=O)CCCCNCCC=O e5dac40515e5ded8f266bf71855cad9e [0,1,0,0,0,0|2,0,1]=4 4412 B12R0.248 COC(=O)CCCCNCCCCl eecef39fff13a3350d880ab78f34b54b [0,1,0,0,0,0|2,0,0]=3 4413 B12R0.248 COC(=O)CCCCNCCCF f3e54d05b7babf10e585cb34f1fc5f4a [0,1,0,0,0,0|2,0,0]=3 4414 B12R0.248 COC(=O)CCCCNCCCO 09bcdbbaf87da0ad6387baa404b26080 [0,1,0,0,0,0|2,0,0]=3 4415 B12R0.248 COC(=O)CCCCNCCCS 5fe215b01b14427476dfc2ae73f76151 [0,1,0,0,0,0|2,0,0]=3 4416 B12R0.248 COC(=O)CCCCNCCON 921515d853e0e1a5d5213ff55dd3211f [0,1,0,0,0,0|3,0,0]=4 4417 B12R0.248 COC(=O)CCCCNCCSC f7ca66bdc7addc4da4fb8f12551a0158 [0,1,0,0,0,0|2,0,0]=3 4418 B12R0.248 COC(=O)CCCCOCCC#N 94ef6900c942794b8b536252cc0d0a0b [0,1,0,0,0,0|2,0,1]=4 4419 B12R0.248 COC(=O)CCCCOCCC=O 10d52c65b7a80f733a80c138f80dc203 [0,1,0,0,0,0|2,0,1]=4 4420 B12R0.248 COC(=O)CCCCOCCCF bbbe3cc0c3dc93f8470810bc74196949 [0,1,0,0,0,0|2,0,0]=3 4421 B12R0.248 COC(=O)CCCCOCCCS 81ad584b317233b8031a8793c90a4cad [0,1,0,0,0,0|2,0,0]=3 4422 B12R0.248 COC(=O)CCCCOCCSC c2c3a617a451eebaa9be27d0f71bb036 [0,1,0,0,0,0|2,0,0]=3 4423 B12R0.248 COC(=O)CCCNCCCC#N 19ecf42a4df0af1477a7ffc04973c7c9 [0,1,0,0,0,0|2,0,1]=4 4424 B12R0.248 COC(=O)CCCNCCCC=O 2af782df223353ea01e5b0fd6be8064b [0,1,0,0,0,0|2,0,1]=4 4425 B12R0.248 COC(=O)CCCNCCCCCl b4e49dd92f6c9fb261ad4b7d5676fd3e [0,1,0,0,0,0|2,0,0]=3 4426 B12R0.248 COC(=O)CCCNCCCCF 900baabd275fc2443dc184cda218b3f6 [0,1,0,0,0,0|2,0,0]=3 4427 B12R0.248 COC(=O)CCCNCCCCO c16239952424f85aa7440b249a78aa61 [0,1,0,0,0,0|2,0,0]=3 4428 B12R0.248 COC(=O)CCCNCCCCS b7c9a1eb7f1e86669bc0c0673e17a6ba [0,1,0,0,0,0|2,0,0]=3 4429 B12R0.248 COC(=O)CCCNCCCSC aa00a290890ec941417e3b42911fa106 [0,1,0,0,0,0|2,0,0]=3 4430 B12R0.248 COC(=O)CCCOCCCC#N 4fd5fb7709a6613c09685cde29743488 [0,1,0,0,0,0|2,0,1]=4 4431 B12R0.248 COC(=O)CCCOCCCC=O 93245c95ff9683a91240cbe71d1fdc81 [0,1,0,0,0,0|2,0,1]=4 4432 B12R0.248 COC(=O)CCCOCCCCF 1482d8cba418161a2e077ca6d7bdef14 [0,1,0,0,0,0|2,0,0]=3 4433 B12R0.248 COC(=O)CCCOCCCCS 6ec1a1d31bb1dfde0174698676a3e7ea [0,1,0,0,0,0|2,0,0]=3 4434 B12R0.248 COC(=O)CCCOCCCSC 84566f51d5ea85990a2d008be9a7cfde [0,1,0,0,0,0|2,0,0]=3 4435 B12R0.248 COC(=O)CCNCCCCC#N 86ef6309d2750848f1920a67d8c4502e [0,1,0,0,0,0|2,0,1]=4 4436 B12R0.248 COC(=O)CCNCCCCC=O 0e004c8fde04227545bc20ab01cf7e63 [0,1,0,0,0,0|2,0,1]=4 4437 B12R0.248 COC(=O)CCNCCCCCCl 2d2b263209268ee0ab40654752b6919c [0,1,0,0,0,0|2,0,0]=3 4438 B12R0.248 COC(=O)CCNCCCCCF 54218cf3cdf27035401d237b8942e981 [0,1,0,0,0,0|2,0,0]=3 4439 B12R0.248 COC(=O)CCNCCCCCO ea77548d1de240df219d599031efc462 [0,1,0,0,0,0|2,0,0]=3 4440 B12R0.248 COC(=O)CCNCCCCON 15c02de9742e2b12e9d6130ca07ad2c6 [0,1,0,0,0,0|3,0,0]=4 4441 B12R0.248 COC(=O)CCNCCCCSC 67431ef940305cfb1d0c861a2a4f528f [0,1,0,0,0,0|2,0,0]=3 4442 B12R0.248 COC(=O)CCNCCOCCO 363a559197420ca25b7bbf5ae56035bb [0,1,0,0,0,0|3,0,0]=4 4443 B12R0.248 COC(=O)CCNCCOCCS 57276d6f04620923d9e8f7e57d399e65 [0,1,0,0,0,0|3,0,0]=4 4444 B12R0.248 COC(=O)CCNCCSCCO b1276ea0b59a159f1dce94239f2a20d7 [0,1,0,0,0,0|3,0,0]=4 4445 B12R0.248 COC(=O)CCOCCCCC#N 27571ff7ed51fe71bcc467188ae41470 [0,1,0,0,0,0|2,0,1]=4 4446 B12R0.248 COC(=O)CCOCCCCC=O 6aa6d0a465da568ca0146b67bff7d388 [0,1,0,0,0,0|2,0,1]=4 4447 B12R0.248 COC(=O)CCOCCCCCF 2fab7cb8cb645f8d1406032c1830acc6 [0,1,0,0,0,0|2,0,0]=3 4448 B12R0.248 COC(=O)CCOCCCCSC b741a855b31b680f7773183e0f288ce6 [0,1,0,0,0,0|2,0,0]=3 4449 B12R0.248 COC(=O)CCOCCCOCF 5bacdd4b8acdfc0195a10c0d1f102bf7 [0,1,0,0,0,0|3,0,0]=4 4450 B12R0.248 COC(=O)CCOCCOCCF a8104a3693a2d624237f2f6b9b823f51 [0,1,0,0,0,0|3,0,0]=4 4451 B12R0.248 COC(=O)CCOCCOCCS 6979594e4b8ce923ccbb2ea8b8b21cc8 [0,1,0,0,0,0|3,0,0]=4 4452 B12R0.248 COC(=O)CCOCCOCSC 1089074fb4a12dd9e0b79c7440d0cb89 [0,1,0,0,0,0|3,0,0]=4 4453 B12R0.248 COC(=O)CNCCCCCC#N 15db25763214679d735758f9a2deb78f [0,1,0,0,0,0|2,0,1]=4 4454 B12R0.248 COC(=O)CNCCCCCC=O 99d78b1bac8e329f4e356cd35c4d98ef [0,1,0,0,0,0|2,0,1]=4 4455 B12R0.248 COC(=O)CNCCCCCCCl 54b174000cb63b2463201d8f9afdfacd [0,1,0,0,0,0|2,0,0]=3 4456 B12R0.248 COC(=O)CNCCCCCCF 180b41c7f6ce638a27bfd2b4c79b9453 [0,1,0,0,0,0|2,0,0]=3 4457 B12R0.248 COC(=O)CNCCCCCCO 49b692ade1eeca8f05072a884c89d69a [0,1,0,0,0,0|2,0,0]=3 4458 B12R0.248 COC(=O)CNCCCOCCO 66ee2308e0c60d28ec0c0ea919592937 [0,1,0,0,0,0|3,0,0]=4 4459 B12R0.248 COC(=O)CNCCOCCCO db0556fcf0392e4686032c5083df9e1b [0,1,0,0,0,0|3,0,0]=4 4460 B12R0.248 COC(=O)COCCCCCC#N 067d4516f2a7e33ef93c0d683d8d40c3 [0,1,0,0,0,0|2,0,1]=4 4461 B12R0.248 COC(=O)COCCCCCC=O 0b73658532f402148e598a2da216a981 [0,1,0,0,0,0|2,0,1]=4 4462 B12R0.248 COC(=O)COCCCCCCF 066e9acd3a0b96c9aced613b927951aa [0,1,0,0,0,0|2,0,0]=3 4463 B12R0.248 COC(=O)COCCCCCCS da5f0f31cf63aad95cc2934b78a72251 [0,1,0,0,0,0|2,0,0]=3 4464 B12R0.248 COC(=O)COCCCNCCBr 74b026f11ca5bcf8027daf627244ee77 [0,1,0,0,0,0|3,0,0]=4 4465 B12R0.248 COC(=O)COCCCNCCF 79839bf8968b115b8613134db0218aff [0,1,0,0,0,0|3,0,0]=4 4466 B12R0.248 COC(=O)COCCCNCCI 59cf95a3c0a97e467b5f23b42fc2976d [0,1,0,0,0,0|3,0,0]=4 4467 B12R0.248 COC(=O)COCCCNCCO 3746d71692c389cc079905a46ea225af [0,1,0,0,0,0|3,0,0]=4 4468 B12R0.248 COC(=O)COCCCNCCS 585c8a1fb6b149366cb61f2e5baff754 [0,1,0,0,0,0|3,0,0]=4 4469 B12R0.248 COC(=O)COCCCOCCF b372354b9988d28463f3a93fc037dc9f [0,1,0,0,0,0|3,0,0]=4 4470 B12R0.248 COC(=O)COCCCOCCS 5a87d0c1c04aace988b1019caea14406 [0,1,0,0,0,0|3,0,0]=4 4471 B12R0.248 COC(=O)COCCCOCSC b24b607aa467d1d61d1215de220a7f29 [0,1,0,0,0,0|3,0,0]=4 4472 B12R0.248 COC(=O)COCCNCCCCl 27086fd7c095a512bab199b0555b7e10 [0,1,0,0,0,0|3,0,0]=4 4473 B12R0.248 COC(=O)COCCNCCCO 1696aa07caf37a24bd0d6c039bbf25ca [0,1,0,0,0,0|3,0,0]=4 4474 B12R0.248 COC(=O)COCCNCCSC 4880028d6cd4ef487a9b7158e48f58e8 [0,1,0,0,0,0|3,0,0]=4 4475 B12R0.248 COC(=O)COCCOCCCF 2bfa3653bf6ebe2beb0a21c5c7d759d0 [0,1,0,0,0,0|3,0,0]=4 4476 B12R0.248 COC(=O)COCCOCCCS d3cc8d471d9dedcff30dc9699e9d4208 [0,1,0,0,0,0|3,0,0]=4 4477 B12R0.248 COC(=O)COCCOCCSC 8af4a6ba635a81bf3d2c9dd33317ce24 [0,1,0,0,0,0|3,0,0]=4 4478 B12R0.248 COC(=O)CSCCCNCCBr 2208899ad1d6a977286601e05cddbf27 [0,1,0,0,0,0|3,0,0]=4 4479 B12R0.248 COC(=O)CSCCCNCCF 94ad12eae92bd4d0f19e97d43a5e514a [0,1,0,0,0,0|3,0,0]=4 4480 B12R0.248 COC(=O)CSCCCNCCI b8b88effd8c4a2c832a6cd3d28110384 [0,1,0,0,0,0|3,0,0]=4 4481 B12R0.248 COC(=O)CSCCCNCCO f2453ca39f68ab15d6c21ba6677529b4 [0,1,0,0,0,0|3,0,0]=4 4482 B12R0.248 COC(=O)CSCCCNCCS b80b56c928758982a57f97596325dd8a [0,1,0,0,0,0|3,0,0]=4 4483 B12R0.248 COC(=O)CSCCCOCCS 722e76e7e5d4eb036af519ea081c6792 [0,1,0,0,0,0|3,0,0]=4 4484 B12R0.248 COC(=O)OCCOCCCCF 0a8671c929694202c1b5ae117ccd7446 [0,1,0,0,0,0|3,0,0]=4 4485 B12R0.248 COC(=O)OCCOCCCSC 544fa4c9695da77d9a33de0093e517c8 [0,1,0,0,0,0|3,0,0]=4 4486 B12R0.248 COC(=O)OCNCCCCCCl 5778c5e061cb78225ed18c6db346766f [0,1,0,0,0,0|3,0,0]=4 4487 B12R0.248 COC(=O)OCNCCCCCO 0cccbfe1acba1b27a4a58f97c453d194 [0,1,0,0,0,0|3,0,0]=4 4488 B12R0.248 COC(=O)OCNCCCCSC b5dad4a904bed85f7bcfbda4e5eeec11 [0,1,0,0,0,0|3,0,0]=4 4489 B12R0.248 COC(=O)OCOCCCCSC df2e05f4370ce6d67927ec63c8290f60 [0,1,0,0,0,0|3,0,0]=4 4490 B12R0.248 COCCCCCNCC(=O)CO 3d62b0c8d589cd5fdcf1ed6791ef54a5 [0,1,0,0,0,0|2,0,0]=3 4491 B12R0.248 COCCCCCNCC(=O)NO a248b93a35826f3d06a10a761935f977 [0,1,0,0,0,0|2,0,0]=3 4492 B12R0.248 COCCCCCNCC(=O)OC d10691bd31d2d0bf1e503578b1c20d28 [0,1,0,0,0,0|2,0,0]=3 4493 B12R0.248 COCCCCCOCC(=O)OC 04445405aa556fee946a295a872f3156 [0,1,0,0,0,0|2,0,0]=3 4494 B12R0.248 COCCCCNCCC(=O)NO fdf02775ddb9fcc641e9d7bad3659c0f [0,1,0,0,0,0|2,0,0]=3 4495 B12R0.248 COCCCCNCCC(=O)OC 866fe67d24453c9c77ba339b24c6f817 [0,1,0,0,0,0|2,0,0]=3 4496 B12R0.248 COCCCCNCOC(=O)OC 65db9bce6f6f1fa0da82eec424325d77 [0,1,0,0,0,0|3,0,0]=4 4497 B12R0.248 COCCCCOCCC(=O)OC 6178a26edf97ddd6d174b7671988efc2 [0,1,0,0,0,0|2,0,0]=3 4498 B12R0.248 COCCCCOCOC(=O)OC 299a375a768c97adbdcbc78bf5ff5051 [0,1,0,0,0,0|3,0,0]=4 4499 B12R0.248 COCCCNCCCC(=O)OC 8542198eec6606ee078f036e6843754f [0,1,0,0,0,0|2,0,0]=3 4500 B12R0.248 COCCCOCCCC(=O)OC f2bad4807d9478dd3c2bac6ff9bf8583 [0,1,0,0,0,0|2,0,0]=3 4501 B12R0.248 COCCCOCCOC(=O)OC f486885c19e3ee0b6a0021d20b2b20d5 [0,1,0,0,0,0|3,0,0]=4 4502 B12R0.248 COCCNCCCCC(=O)OC bcc8b4b6498a23c39c6f80eb7f18507a [0,1,0,0,0,0|2,0,0]=3 4503 B12R0.248 COCCNCCOCC(=O)OC cfbd6d06e0ff3b871e587c86847150c1 [0,1,0,0,0,0|3,0,0]=4 4504 B12R0.248 COCCOCCCCC(=O)OC f3189c3c74aa0f1aaee5c15977b5fb2f [0,1,0,0,0,0|2,0,0]=3 4505 B12R0.248 COCCOCCCNC(=O)CO b6722fd9cf098aebd31afc86ec0f5c23 [0,1,0,0,0,0|3,0,0]=4 4506 B12R0.248 COCCOCCNCC(=O)CO 51aff52384fd0bf667aee266b7beb599 [0,1,0,0,0,0|3,0,0]=4 4507 B12R0.248 COCCOCCNCC(=O)NO f149c54cc680e04aa3fe381218f30bbc [0,1,0,0,0,0|3,0,0]=4 4508 B12R0.248 COCCOCCNCC(=O)OC fa9a2dfc713b9c3afca54934449f4f59 [0,1,0,0,0,0|3,0,0]=4 4509 B12R0.248 COCCOCCOCC(=O)OC d0fe862950539297d446e2086c4a0beb [0,1,0,0,0,0|3,0,0]=4 4510 B12R0.248 COCCOCNCCC(=O)NO dd6555dee9badca62c860d2eae5e8f3a [0,1,0,0,0,0|3,0,0]=4 4511 B12R0.248 COCCOCNCCC(=O)OC b06f40b5ee8b386eca746034f346feba [0,1,0,0,0,0|3,0,0]=4 4512 B12R0.248 COCCOCOCCC(=O)OC 25d74a7e7d216b658bf7bf665c489a38 [0,1,0,0,0,0|3,0,0]=4 4513 B12R0.248 COCNCCCCCC(=O)OC 8ad3a9d9c1353c228b1066481f3d2302 [0,1,0,0,0,0|2,0,0]=3 4514 B12R0.248 COCOCCCCCC(=O)OC 19a354151b1498e2c1fa9948463fb1f6 [0,1,0,0,0,0|2,0,0]=3 4515 B12R0.248 COCOCCCOCC(=O)OC 85a04fd2d4665f2d5152fa2fec90bfd8 [0,1,0,0,0,0|3,0,0]=4 4516 B12R0.248 COCOCCCSCC(=O)OC 220a743f90dee7c613c8afe0309f7410 [0,1,0,0,0,0|3,0,0]=4 4517 B12R0.248 COCOCCNCCC(=O)NO fb0775d75140aab09afcec5e1467c80f [0,1,0,0,0,0|3,0,0]=4 4518 B12R0.248 COCOCCNCCC(=O)OC 03e18754d7cae27adf11a92ee4835db7 [0,1,0,0,0,0|3,0,0]=4 4519 B12R0.248 COCOCCOCCC(=O)OC 9874739036248c42f38b97573b54f832 [0,1,0,0,0,0|3,0,0]=4 4520 B12R0.248 CSCCOCCCNC(=O)CO f724e46bb8c8f00e40bd077b162cda6d [0,1,0,0,0,0|3,0,0]=4 4521 B12R0.248 N#CCCCCCNCC(=O)CO c24a9f57437e4d7b4208de54bfa40ae4 [0,1,0,0,0,0|2,0,1]=4 4522 B12R0.248 N#CCCCCCNCC(=O)NO 7e70f82a8c6d38fa81de0f1c72ae3130 [0,1,0,0,0,0|2,0,1]=4 4523 B12R0.248 N#CCCCCNCCC(=O)NO 48415f730bd3fa65a9064e046371de1b [0,1,0,0,0,0|2,0,1]=4 4524 B12R0.248 NOCCCCNCCC(=O)NO 330336e93e7f44a9db0269d539386c29 [0,1,0,0,0,0|3,0,0]=4 4525 B12R0.248 O=C(CCNCCCCCF)NO 400702713b3c9f274972c8bd786e2224 [0,1,0,0,0,0|2,0,0]=3 4526 B12R0.248 O=C(CCNCCCCCO)NO 10eb07bb4ab5b3c619230886ffbeb407 [0,1,0,0,0,0|2,0,0]=3 4527 B12R0.248 O=C(CCNCCOCCO)NO 83f8bafabc55ca405043a429e01f1683 [0,1,0,0,0,0|3,0,0]=4 4528 B12R0.248 O=C(CF)NCCCCCCCO 06005ded0b960d0e227ac8288c0d7875 [0,1,0,0,0,0|3,0,0]=4 4529 B12R0.248 O=C(CNCCCCCCF)NO d46bb065d6aaab81ae1bca69407ed2c6 [0,1,0,0,0,0|2,0,0]=3 4530 B12R0.248 O=C(CNCCCCCCO)NO b9642d726941a9f2b1f1bacde0347016 [0,1,0,0,0,0|2,0,0]=3 4531 B12R0.248 O=C(CO)CNCCCCCCCl c986aa8335d6a99414b58b46306e1c2d [0,1,0,0,0,0|2,0,0]=3 4532 B12R0.248 O=C(CO)CNCCCCCCO 3963a25aaf3f74378966d98bae19b636 [0,1,0,0,0,0|2,0,0]=3 4533 B12R0.248 O=C(CO)CNCCCOCCO 7bef8fdf0e9d9223ce3e678a359e3a82 [0,1,0,0,0,0|3,0,0]=4 4534 B12R0.248 O=C(CO)CNCCOCCCO 7c964203f3bf64d9569b62467ad06c93 [0,1,0,0,0,0|3,0,0]=4 4535 B12R0.248 O=C(CO)NCCCCCCCO 1d801b6d0b98670986e94cc04bdd6634 [0,1,0,0,0,0|2,0,0]=3 4536 B12R0.248 O=C(CO)NCCCCSCCO e6fa3e75d4b36ada3fd886225c72a727 [0,1,0,0,0,0|3,0,0]=4 4537 B12R0.248 O=C(CO)NCCCOCCCO 8ad7b39654934d96015f193edf72fce8 [0,1,0,0,0,0|3,0,0]=4 4538 B12R0.248 O=C(CS)NCCCCCCCO 079aaa7f2419efb6ce76d08612a30585 [0,1,0,0,0,0|2,1,0]=4 4539 B12R0.248 O=CC(=O)NCCCCCCCO 2fe1bfa04c60f29d11a344346dadd21a [0,1,0,0,0,0|2,0,1]=4 4540 B12R0.248 O=CCCCCCNCC(=O)NO ce3721509899096422f66bf4fdedf76d [0,1,0,0,0,0|2,0,1]=4 4541 B12R0.248 O=CCCCCNCCC(=O)NO b1dfff376a421e2883551693a8d43884 [0,1,0,0,0,0|2,0,1]=4 4542 B12R0.251 C#CCCCCCNC(C)C(=O)O 265ec001b12e2a4daaabed4753d11e7a [0,1,0,0,0,0|1,0,2]=4 4543 B12R0.251 C#CCCCCCNC(O)C(=O)O 9e353f3e75df209a6c004fc59202841f [0,1,0,0,0,0|1,0,2]=4 4544 B12R0.251 C#CCCCCCN[C@@H](C)C(=O)O 6ac1ef8c4c812a144f05935441ce3493 [0,1,0,0,0,0|1,0,2]=4 4545 B12R0.251 C#CCCCCCN[C@H](C)C(=O)O a2b4ffa040288a4600e7031997107d91 [0,1,0,0,0,0|1,0,2]=4 4546 B12R0.251 C#CCCCCCOC(C)C(=O)O 80d7b0b95176e4cb69de64e26a3bb84d [0,1,0,0,0,0|1,0,2]=4 4547 B12R0.251 C#CCCCCCO[C@@H](C)C(=O)O 9b57ec1a6809efb04d48a10ddbbead8c [0,1,0,0,0,0|1,0,2]=4 4548 B12R0.251 C#CCCCCCO[C@H](C)C(=O)O d08957ed511fc5f16c5d8f7c61c82160 [0,1,0,0,0,0|1,0,2]=4 4549 B12R0.251 C#CCCCCNCC(C)C(=O)O a86ee92088eab91077c14f59d8087768 [0,1,0,0,0,0|1,0,2]=4 4550 B12R0.251 C#CCCCCNCC(F)C(=O)O cfb39646146c453519cbd92a5bb34366 [0,1,0,0,0,0|1,0,2]=4 4551 B12R0.251 C#CCCCCNCC(O)C(=O)O f6b53d4c81a6460cfb43e7f0a62b66e6 [0,1,0,0,0,0|1,0,2]=4 4552 B12R0.251 C#CCCCCNC[C@@H](C)C(=O)O 6064b2b8fbe42453a2f0863c4724e7c7 [0,1,0,0,0,0|1,0,2]=4 4553 B12R0.251 C#CCCCCNC[C@@H](O)C(=O)O 9b1a7213765d0bbf6071c8c1ea752924 [0,1,0,0,0,0|1,0,2]=4 4554 B12R0.251 C#CCCCCNC[C@H](C)C(=O)O 4da5f511cb3cceb1e6334fd5780785cf [0,1,0,0,0,0|1,0,2]=4 4555 B12R0.251 C#CCCCCNC[C@H](O)C(=O)O 4ec0847a83cc3b5b4e2cc1d0fd15d014 [0,1,0,0,0,0|1,0,2]=4 4556 B12R0.251 C#CCCCCOCC(C)C(=O)O f0ebc6666244a9490f508551f4950b10 [0,1,0,0,0,0|1,0,2]=4 4557 B12R0.251 C#CCCCCOC[C@@H](C)C(=O)O ab4025c6e87a40f0e6bcd14eb6180872 [0,1,0,0,0,0|1,0,2]=4 4558 B12R0.251 C#CCCCCOC[C@H](C)C(=O)O 588b004d6940a07b5f5398d9b770c30c [0,1,0,0,0,0|1,0,2]=4 4559 B12R0.251 C#CCCCNCCC(F)C(=O)O 1c96d047a9c416057560c5e606e5e182 [0,1,0,0,0,0|1,0,2]=4 4560 B12R0.251 C#CCCCNCCC(O)C(=O)O 0d579af33b7a1b224ef98066ba0579bd [0,1,0,0,0,0|1,0,2]=4 4561 B12R0.251 C#CCCCNCC[C@H](O)C(=O)O bf8fe08a5d31f6326196045bfc8c82c6 [0,1,0,0,0,0|1,0,2]=4 4562 B12R0.251 C#CCCNCCCC(C)C(=O)O 1fb7e64c99110505671c9935f4172ab9 [0,1,0,0,0,0|1,0,2]=4 4563 B12R0.251 C#CCCOCCCC(C)C(=O)O 10be2f3b8a6908ead9e9281ab93685ef [0,1,0,0,0,0|1,0,2]=4 4564 B12R0.251 C/C=C/CCCOCC(C)C(=O)O 130088fcb871ebcb4ca25038ee4282a4 [0,1,0,0,0,0|1,0,2]=4 4565 B12R0.251 C/C=C/COCCCC(C)C(=O)O cde9d37e12a8cb8c86ad7535fa654607 [0,1,0,0,0,0|1,0,2]=4 4566 B12R0.251 C/C=C\CCCNCC(C)C(=O)O ee11827a9daebd35995341ebf8db8dd8 [0,1,0,0,0,0|1,0,2]=4 4567 B12R0.251 C/C=C\CCCNCC(F)C(=O)O 44084b1a005303a92f9ad56571a95948 [0,1,0,0,0,0|1,0,2]=4 4568 B12R0.251 C/C=C\CCCNCC(O)C(=O)O 78cd11ccf370c8990f3b6f7c5590fa3e [0,1,0,0,0,0|1,0,2]=4 4569 B12R0.251 C/C=C\CCCNC[C@@H](C)C(=O)O 0771ed28c0a5ebbfcad48a18642795d6 [0,1,0,0,0,0|1,0,2]=4 4570 B12R0.251 C/C=C\CCCNC[C@@H](O)C(=O)O 7f42751613faf278dc888c471d910156 [0,1,0,0,0,0|1,0,2]=4 4571 B12R0.251 C/C=C\CCCNC[C@H](C)C(=O)O d7ec54c50c12fb7b8c6d420a6ae97911 [0,1,0,0,0,0|1,0,2]=4 4572 B12R0.251 C/C=C\CCCNC[C@H](O)C(=O)O 187dfa865329d0ed0ee2327376aeddcd [0,1,0,0,0,0|1,0,2]=4 4573 B12R0.251 C/C=C\CCCOCC(C)C(=O)O 39d5fdf86e0be311a8ce78726557a00b [0,1,0,0,0,0|1,0,2]=4 4574 B12R0.251 C/C=C\CCCOC[C@@H](C)C(=O)O ddf8c51e5eab9ef6fe8cf717d21265e6 [0,1,0,0,0,0|1,0,2]=4 4575 B12R0.251 C/C=C\CCCOC[C@H](C)C(=O)O 55400b45daf73e453823307bb796829d [0,1,0,0,0,0|1,0,2]=4 4576 B12R0.251 C/C=C\COCCCC(C)C(=O)O bcbcd9a938f4fcffb09fa5027cc673e4 [0,1,0,0,0,0|1,0,2]=4 4577 B12R0.251 C=C(CNCCCCCC)C(=O)O 386b210b873e6309b757e5779584c4c4 [0,1,0,0,0,0|1,0,1]=3 4578 B12R0.251 C=C(CNCCCCCCl)C(=O)O 51c4815b1154176cff990d887c3179ee [0,1,0,0,0,0|2,0,1]=4 4579 B12R0.251 C=C(CNCCCCCO)C(=O)O a5ac5984f1808b0dc9a146618945fbee [0,1,0,0,0,0|2,0,1]=4 4580 B12R0.251 C=C(CNCCCCOC)C(=O)O 2dd5ac4ea747ccbd2d5b9c689f016808 [0,1,0,0,0,0|2,0,1]=4 4581 B12R0.251 C=C(CNCCCCSC)C(=O)O ec8c148f8eb03d201e5b0bb1419cde72 [0,1,0,0,0,0|2,0,1]=4 4582 B12R0.251 C=C(CNCCCOCC)C(=O)O e4533f317c615ef0f253a0af20451638 [0,1,0,0,0,0|2,0,1]=4 4583 B12R0.251 C=C(CNCCOCCC)C(=O)O 46afe1074c8b269458f9b11a5effd4dd [0,1,0,0,0,0|2,0,1]=4 4584 B12R0.251 C=C(COCCCCCC)C(=O)O 9d02ed733ce790dcaeb00a0919824583 [0,1,0,0,0,0|1,0,1]=3 4585 B12R0.251 C=C(COCCCCCF)C(=O)O 73b0eb79765b689f4157d7fb953ca568 [0,1,0,0,0,0|2,0,1]=4 4586 B12R0.251 C=C(COCCCCOC)C(=O)O 47524efee0ddf100279b45b7fc6e94b1 [0,1,0,0,0,0|2,0,1]=4 4587 B12R0.251 C=C(COCCCCSC)C(=O)O f65348f5c9968a4b1434784beeb0ee20 [0,1,0,0,0,0|2,0,1]=4 4588 B12R0.251 C=C(COCCCOCC)C(=O)O 728a467f28a35376d821d182d75cb2b4 [0,1,0,0,0,0|2,0,1]=4 4589 B12R0.251 C=C(COCCCSCC)C(=O)O f145319e64ab93f914342b6f0d5fb0fd [0,1,0,0,0,0|2,0,1]=4 4590 B12R0.251 C=C(COCCOCCC)C(=O)O 47488018c0ae9bd210841e380b5a1462 [0,1,0,0,0,0|2,0,1]=4 4591 B12R0.251 C=C(COCCSCCC)C(=O)O 7be833291da29587e09a1aa7f6cee2c6 [0,1,0,0,0,0|2,0,1]=4 4592 B12R0.251 C=C(COCOCCCC)C(=O)O 10b3cc6ee0cae46f4c17873174dd2f46 [0,1,0,0,0,0|2,0,1]=4 4593 B12R0.251 C=C(I)[C@H](C)CNCCCCCC 86b81ec9ab53dd56f4f75c813f3ef9b3 [0,1,0,0,0,0|3,0,0]=4 4594 B12R0.251 C=C(I)[C@H](C)COCCCCCC 6697584f2a210f9b2281f69b6912d9d8 [0,1,0,0,0,0|3,0,0]=4 4595 B12R0.251 C=CCCCCCNC(C)C(=O)O a9ea10f05ceb7838d258d034a3c727bf [0,1,0,0,0,0|1,0,2]=4 4596 B12R0.251 C=CCCCCCNC(F)C(=O)O 3e4fb13f3bd50d0c4b835c7a6573af6c [0,1,0,0,0,0|1,0,2]=4 4597 B12R0.251 C=CCCCCCNC(O)C(=O)O 9e226dd0bdc08c9f01d720689b81216d [0,1,0,0,0,0|1,0,2]=4 4598 B12R0.251 C=CCCCCCN[C@@H](C)C(=O)O 7e0f939828a6204f8e793ba963563d36 [0,1,0,0,0,0|1,0,2]=4 4599 B12R0.251 C=CCCCCCN[C@@H](F)C(=O)O c26c99e977d05e1e24127b2f2dfb4f5f [0,1,0,0,0,0|1,0,2]=4 4600 B12R0.251 C=CCCCCCN[C@H](C)C(=O)O f97adda3a0a03691c146bc3b3ba8aa06 [0,1,0,0,0,0|1,0,2]=4 4601 B12R0.251 C=CCCCCCOC(C)C(=O)O e57948c6f8c2140df9a14dbbfd72add4 [0,1,0,0,0,0|1,0,2]=4 4602 B12R0.251 C=CCCCCCOC(F)C(=O)O 8db545aaaa0405549f3d87107e7443e2 [0,1,0,0,0,0|1,0,2]=4 4603 B12R0.251 C=CCCCCCO[C@@H](C)C(=O)O 9d0444c7b2527b2e4b685b89d5d1b731 [0,1,0,0,0,0|1,0,2]=4 4604 B12R0.251 C=CCCCCCO[C@@H](F)C(=O)O ffa0515cbdba5f1d5fa5011b2a9da524 [0,1,0,0,0,0|1,0,2]=4 4605 B12R0.251 C=CCCCCCO[C@H](C)C(=O)O c7ab6f74168295cd2a46920267be900e [0,1,0,0,0,0|1,0,2]=4 4606 B12R0.251 C=CCCCCNCC(C)C(=O)O b6c2193af3b62e7267dc47bdefecd71d [0,1,0,0,0,0|1,0,2]=4 4607 B12R0.251 C=CCCCCNCC(F)C(=O)O 3529427961bb610b4462a1a51aa4beb2 [0,1,0,0,0,0|1,0,2]=4 4608 B12R0.251 C=CCCCCNCC(O)C(=O)O 07d82d2094d3e479f80c2ccf6ca4003b [0,1,0,0,0,0|1,0,2]=4 4609 B12R0.251 C=CCCCCNC[C@@H](C)C(=O)O 99e77b085d377316a8e4a82d227a3f04 [0,1,0,0,0,0|1,0,2]=4 4610 B12R0.251 C=CCCCCNC[C@@H](O)C(=O)O b5a6b0c6e8074fcf8c8691f7a55bf851 [0,1,0,0,0,0|1,0,2]=4 4611 B12R0.251 C=CCCCCNC[C@H](C)C(=O)O 3adee02ac203c4e4dde81a180d8eca9c [0,1,0,0,0,0|1,0,2]=4 4612 B12R0.251 C=CCCCCNC[C@H](O)C(=O)O ce75955a2774a438511da19be48462c8 [0,1,0,0,0,0|1,0,2]=4 4613 B12R0.251 C=CCCCCOCC(C)C(=O)O 46dcc34f80e7cecdcfd28e09a5144af3 [0,1,0,0,0,0|1,0,2]=4 4614 B12R0.251 C=CCCCCOC[C@@H](C)C(=O)O b3fe63548d050dd7aacce402bcc729af [0,1,0,0,0,0|1,0,2]=4 4615 B12R0.251 C=CCCCCOC[C@H](C)C(=O)O 05de84e80e5191c16ac28617eefffc81 [0,1,0,0,0,0|1,0,2]=4 4616 B12R0.251 C=CCCCNCCC(F)C(=O)O f8a9e5c813b69457329e12d119aac1cd [0,1,0,0,0,0|1,0,2]=4 4617 B12R0.251 C=CCCCNCCC(O)C(=O)O c106b5627a9affa6ece6081d974ab355 [0,1,0,0,0,0|1,0,2]=4 4618 B12R0.251 C=CCCCNCC[C@H](O)C(=O)O 5ca2045b02232979257c1768b8502150 [0,1,0,0,0,0|1,0,2]=4 4619 B12R0.251 C=CCCNCCCC(C)C(=O)O acdc3502d703f11ab6bd1b71471d2612 [0,1,0,0,0,0|1,0,2]=4 4620 B12R0.251 C=CCCOCCCC(C)C(=O)O 3ae76c34a1fcf0887b27f45b1740a3e8 [0,1,0,0,0,0|1,0,2]=4 4621 B12R0.251 CC#CCCCOCC(C)C(=O)O c71c6677b4b5eb47e99334976959ada5 [0,1,0,0,0,0|1,0,2]=4 4622 B12R0.251 CC#CCNCCCC(C)C(=O)O c99946f9e483d1e612e309c35b1bc91c [0,1,0,0,0,0|1,0,2]=4 4623 B12R0.251 CC#CCOCCCC(C)C(=O)O 5c16d52d792e36e438ec6c7efe1ad13d [0,1,0,0,0,0|1,0,2]=4 4624 B12R0.251 CC(=O)C(C)CCOCCCCF bdd71cde5a577a7af575734a5a3f48f7 [0,1,0,0,0,0|3,0,0]=4 4625 B12R0.251 CC(=O)C(C)COCCCCCF a6789be472185e06cacbedb8e1f533e6 [0,1,0,0,0,0|3,0,0]=4 4626 B12R0.251 CC(=O)C(C)NCCCCCCCl 80873037c3993e24c67dad0737c8f326 [0,1,0,0,0,0|3,0,0]=4 4627 B12R0.251 CC(=O)C(C)NCCCCCCO e0c573bfada513cc38e4b0081a0b976b [0,1,0,0,0,0|3,0,0]=4 4628 B12R0.251 CC(=O)C(C)OCCCCCCF 3009a7ab867e1d8bda99a75d6a9c529e [0,1,0,0,0,0|3,0,0]=4 4629 B12R0.251 CC(=O)C(C)OCCCCCCS 9ccf576be012185314fc9fd3ea8005b1 [0,1,0,0,0,0|3,0,0]=4 4630 B12R0.251 CC(CCCNCCC#N)C(=O)O 0cfea0c9e5e0b65d9ddd332eaa434ab1 [0,1,0,0,0,0|2,0,1]=4 4631 B12R0.251 CC(CCCNCCCCl)C(=O)O dba527fc3d7bba6083e46433ccd40fdb [0,1,0,0,0,0|2,0,0]=3 4632 B12R0.251 CC(CCCNCCCO)C(=O)O d3b1e3f7812d1fd0c05c1a9084c72f48 [0,1,0,0,0,0|2,0,0]=3 4633 B12R0.251 CC(CCCNCCON)C(=O)O 77c8391f0d0765fcf282710161576dde [0,1,0,0,0,0|3,0,0]=4 4634 B12R0.251 CC(CCCOCCC#N)C(=O)O 43ef98036778d8deaae0d500346ccf70 [0,1,0,0,0,0|2,0,1]=4 4635 B12R0.251 CC(CCCOCCC=O)C(=O)O 45743dbf509155920351d5dd57393907 [0,1,0,0,0,0|2,0,1]=4 4636 B12R0.251 CC(CCCOCCCF)C(=O)O 1528cea03b13c62e18d806dba2bfe8e9 [0,1,0,0,0,0|2,0,0]=3 4637 B12R0.251 CC(CCCOCCCS)C(=O)O e2f9cc9558916e3b6fb71afc1a5f8c54 [0,1,0,0,0,0|2,0,0]=3 4638 B12R0.251 CC(CNCCCCC#N)C(=O)O fed5bf6f9ba8bb32bfd148753fc12838 [0,1,0,0,0,0|2,0,1]=4 4639 B12R0.251 CC(CNCCCCC=O)C(=O)O efa564f218c7fde2a8268bb024b0dea1 [0,1,0,0,0,0|2,0,1]=4 4640 B12R0.251 CC(CNCCCCCCl)C(=O)O 6a95ec73a267c88c63a1d30075fbe90b [0,1,0,0,0,0|2,0,0]=3 4641 B12R0.251 CC(CNCCCCCF)C(=O)O 7396f223305c3d10a644b29679606552 [0,1,0,0,0,0|2,0,0]=3 4642 B12R0.251 CC(CNCCCCCO)C(=O)O 26725fe02f32b49175254fbc66015163 [0,1,0,0,0,0|2,0,0]=3 4643 B12R0.251 CC(CNCCCCON)C(=O)O 3d26175c70f012326346c1a3c6073eef [0,1,0,0,0,0|3,0,0]=4 4644 B12R0.251 CC(CNCCOCCO)C(=O)O ad6c92a7f0b74361eabb0dd29fcd6978 [0,1,0,0,0,0|3,0,0]=4 4645 B12R0.251 CC(CNCCOCCS)C(=O)O e2319466811f0c4b701f1b4426ff0be8 [0,1,0,0,0,0|3,0,0]=4 4646 B12R0.251 CC(CNCCSCCO)C(=O)O 0748ab8bda31b0b7921db72b8c9937ab [0,1,0,0,0,0|3,0,0]=4 4647 B12R0.251 CC(COCCCCC#N)C(=O)O ca2148f6abad295897ea1f86386b69cc [0,1,0,0,0,0|2,0,1]=4 4648 B12R0.251 CC(COCCCCC=O)C(=O)O af07af8646c7a600a917c3aaa2440c39 [0,1,0,0,0,0|2,0,1]=4 4649 B12R0.251 CC(COCCCCCF)C(=O)O eae9e8e8fb068aebcc1feba8dd99270f [0,1,0,0,0,0|2,0,0]=3 4650 B12R0.251 CC(COCCOCCF)C(=O)O f5c5dd9140e7a0e361d73f48d793b9f8 [0,1,0,0,0,0|3,0,0]=4 4651 B12R0.251 CC(COCCOCCS)C(=O)O 453ec5d51ea57ab70a77664bc6aa56e0 [0,1,0,0,0,0|3,0,0]=4 4652 B12R0.251 CC(CSCCNCCF)C(=O)O 23a913c453d1760109c0e92ea8f5cecc [0,1,0,0,0,0|3,0,0]=4 4653 B12R0.251 CC(CSCCNCCO)C(=O)O 0b304d4141a7bda92471950dcde6edcf [0,1,0,0,0,0|3,0,0]=4 4654 B12R0.251 CC(CSCCNCCS)C(=O)O 17feb6909aa7abd65e88a31d460bd3c0 [0,1,0,0,0,0|3,0,0]=4 4655 B12R0.251 CC(NCCCCCC#N)C(=O)O ef4852de98d8f997e3d9e1d063db3cb5 [0,1,0,0,0,0|2,0,1]=4 4656 B12R0.251 CC(NCCCCCC=O)C(=O)O 0a5877523d28c9e533d957fe9f94cc43 [0,1,0,0,0,0|2,0,1]=4 4657 B12R0.251 CC(NCCCCCCCl)C(=O)N 0998f67dea2a5bd522bf853dc7fe724b [0,1,0,0,0,0|3,0,0]=4 4658 B12R0.251 CC(NCCCCCCCl)C(=O)O 8ddbecdc1e410b0616b06fb9aef6828a [0,1,0,0,0,0|2,0,0]=3 4659 B12R0.251 CC(NCCCCCCF)C(=O)N cbfaa7e2c3f25a113db8cb72dc038c8d [0,1,0,0,0,0|3,0,0]=4 4660 B12R0.251 CC(NCCCCCCF)C(=O)O e75033b7de01c1b41659980f46f54116 [0,1,0,0,0,0|2,0,0]=3 4661 B12R0.251 CC(NCCCCCCO)C(=O)N 744d25be243bc0f95f1880448575c00c [0,1,0,0,0,0|3,0,0]=4 4662 B12R0.251 CC(NCCCCCCO)C(=O)O 13acfe371e1a89008e41216d160c93d9 [0,1,0,0,0,0|2,0,0]=3 4663 B12R0.251 CC(NCCCOCCO)C(=O)O 3610452f4e07fc27208fcc67736ebe8c [0,1,0,0,0,0|3,0,0]=4 4664 B12R0.251 CC(OCCCCCC#N)C(=O)O e3aa31c010e20f92a00d9c1a75fc280a [0,1,0,0,0,0|2,0,1]=4 4665 B12R0.251 CC(OCCCCCC=O)C(=O)O bbc7e96a9b93223b4e37bda80e6e0bdf [0,1,0,0,0,0|2,0,1]=4 4666 B12R0.251 CC(OCCCCCCF)C(=O)N c2a124fb3d7731a5fd046e47bd3e2045 [0,1,0,0,0,0|3,0,0]=4 4667 B12R0.251 CC(OCCCCCCF)C(=O)O ea3427e991b9a4cb4101bf16ff0dcfc7 [0,1,0,0,0,0|2,0,0]=3 4668 B12R0.251 CC(OCCCCCCS)C(=O)N 3ac014cbf757de5daf61619adff7ac9f [0,1,0,0,0,0|3,0,0]=4 4669 B12R0.251 CC/C=C/CCOCC(C)C(=O)O 0ba8dd184ab27ab94bdeada5cae3c1c8 [0,1,0,0,0,0|1,0,2]=4 4670 B12R0.251 CC/C=C/CNCCC(F)C(=O)O 8e74541139faa40de180e36e3bf8da81 [0,1,0,0,0,0|1,0,2]=4 4671 B12R0.251 CC/C=C/CNCCC(O)C(=O)O e9c3ac78cf0f2a871d0ed239e354a4df [0,1,0,0,0,0|1,0,2]=4 4672 B12R0.251 CC/C=C/CNCC[C@H](O)C(=O)O c5b83ee8ad1ad5bbe391de26f8196176 [0,1,0,0,0,0|1,0,2]=4 4673 B12R0.251 CC/C=C\CCCOC(C)C(=O)O 3d4b553030801ad814dfebe8ab78f724 [0,1,0,0,0,0|1,0,2]=4 4674 B12R0.251 CC/C=C\CCCOC(F)C(=O)O 174003a1e839934d396590624ccb4911 [0,1,0,0,0,0|1,0,2]=4 4675 B12R0.251 CC/C=C\CCCO[C@@H](C)C(=O)O 5628ec3d8aa1b92c69f92fa43ba9219f [0,1,0,0,0,0|1,0,2]=4 4676 B12R0.251 CC/C=C\CCCO[C@@H](F)C(=O)O b2408d689ec8e35b4929f021141480df [0,1,0,0,0,0|1,0,2]=4 4677 B12R0.251 CC/C=C\CCCO[C@H](C)C(=O)O 5893da017494f0a5db5e98545d0c293d [0,1,0,0,0,0|1,0,2]=4 4678 B12R0.251 CC/C=C\CCNCC(C)C(=O)O efeff2d48452e6f4e7dbee00dcf795b7 [0,1,0,0,0,0|1,0,2]=4 4679 B12R0.251 CC/C=C\CCNCC(F)C(=O)O f13c92a2984bd3b31798a20dc700b8a5 [0,1,0,0,0,0|1,0,2]=4 4680 B12R0.251 CC/C=C\CCNCC(O)C(=O)O 3116d0374bec87f681d1e4f4d5a6451e [0,1,0,0,0,0|1,0,2]=4 4681 B12R0.251 CC/C=C\CCNC[C@@H](C)C(=O)O 42d51b4d90ee439a02c764e7c98ed528 [0,1,0,0,0,0|1,0,2]=4 4682 B12R0.251 CC/C=C\CCNC[C@@H](O)C(=O)O 9fbc38656ef0d8836e44e304e4c3752c [0,1,0,0,0,0|1,0,2]=4 4683 B12R0.251 CC/C=C\CCNC[C@H](C)C(=O)O b15fb4bd956da9c82759a635b7746e19 [0,1,0,0,0,0|1,0,2]=4 4684 B12R0.251 CC/C=C\CCNC[C@H](O)C(=O)O cebee71fd958b8ca2e7f34684490ea2f [0,1,0,0,0,0|1,0,2]=4 4685 B12R0.251 CC/C=C\CCOCC(C)C(=O)O f3a9183763857529f85191ec346d31fa [0,1,0,0,0,0|1,0,2]=4 4686 B12R0.251 CC/C=C\CCOC[C@@H](C)C(=O)O a7ae72ed5ed7e0b3a45a6759a8df1722 [0,1,0,0,0,0|1,0,2]=4 4687 B12R0.251 CC/C=C\CCOC[C@H](C)C(=O)O 2f205b7a0b99061ef93cd5549ba57144 [0,1,0,0,0,0|1,0,2]=4 4688 B12R0.251 CC=CCCCOCC(C)C(=O)O 5be3d6092239a1b030c278ce6eb59136 [0,1,0,0,0,0|1,0,2]=4 4689 B12R0.251 CC=CCNCCCC(C)C(=O)O d513c4f680e652004d916f6d8a155a75 [0,1,0,0,0,0|1,0,2]=4 4690 B12R0.251 CC=CCOCCCC(C)C(=O)O f993e29d41efb37986842ae6515c1a98 [0,1,0,0,0,0|1,0,2]=4 4691 B12R0.251 CCC#CCCOCC(C)C(=O)O c064e07bdd6551810e9b96bc2b30160b [0,1,0,0,0,0|1,0,2]=4 4692 B12R0.251 CCC/C=C/CNCC(C)C(=O)O 2acab5a0d4936ac68547f55aaf58817d [0,1,0,0,0,0|1,0,2]=4 4693 B12R0.251 CCC/C=C/CNCC(F)C(=O)O e7a135a97e1b56742232cf9faea25837 [0,1,0,0,0,0|1,0,2]=4 4694 B12R0.251 CCC/C=C/CNCC(O)C(=O)O 9c32b8cdc8590157bb1cba8fd888a143 [0,1,0,0,0,0|1,0,2]=4 4695 B12R0.251 CCC/C=C/CNC[C@@H](C)C(=O)O 107a6bfb0f153a7b26a187fc56b86a7d [0,1,0,0,0,0|1,0,2]=4 4696 B12R0.251 CCC/C=C/CNC[C@@H](O)C(=O)O 41170338938c524d2e68aa1d3d036056 [0,1,0,0,0,0|1,0,2]=4 4697 B12R0.251 CCC/C=C/CNC[C@H](C)C(=O)O bd82d3ee898431bf8317c069e97e0227 [0,1,0,0,0,0|1,0,2]=4 4698 B12R0.251 CCC/C=C/CNC[C@H](O)C(=O)O 12f0e33e0dc2657b511a77239b767eea [0,1,0,0,0,0|1,0,2]=4 4699 B12R0.251 CCC/C=C/COCC(C)C(=O)O 2b2bd4cfc11b1b0dd73aab905e0dd0a0 [0,1,0,0,0,0|1,0,2]=4 4700 B12R0.251 CCC/C=C/COC[C@@H](C)C(=O)O b8ded1efc937b978a64b048b8806dd23 [0,1,0,0,0,0|1,0,2]=4 4701 B12R0.251 CCC/C=C/COC[C@H](C)C(=O)O 088346e788293b625890c0c73c3aa21d [0,1,0,0,0,0|1,0,2]=4 4702 B12R0.251 CCC/C=C\CCOC(F)C(=O)O 6be6e06a18756af091d2a4dafa94508b [0,1,0,0,0,0|1,0,2]=4 4703 B12R0.251 CCC/C=C\CCO[C@@H](F)C(=O)O 6a0b30b93909913b80ae9a5207c91c06 [0,1,0,0,0,0|1,0,2]=4 4704 B12R0.251 CCC/C=C\CNCC(C)C(=O)O 5dab83ad0c3124563480ffd66cb76503 [0,1,0,0,0,0|1,0,2]=4 4705 B12R0.251 CCC/C=C\CNCC(F)C(=O)O d52618ecf7ae792c422ceca69117f7fb [0,1,0,0,0,0|1,0,2]=4 4706 B12R0.251 CCC/C=C\CNCC(O)C(=O)O c409d7be8d993712630cf95757c55b90 [0,1,0,0,0,0|1,0,2]=4 4707 B12R0.251 CCC/C=C\CNC[C@@H](C)C(=O)O 43303090bb3b2a7f5ab5b2bfa0f63ea5 [0,1,0,0,0,0|1,0,2]=4 4708 B12R0.251 CCC/C=C\CNC[C@@H](O)C(=O)O eec3ef18e21328ebda1f4ce935c9bcee [0,1,0,0,0,0|1,0,2]=4 4709 B12R0.251 CCC/C=C\CNC[C@H](C)C(=O)O bac52c244189ca08aa12612bf83f4f49 [0,1,0,0,0,0|1,0,2]=4 4710 B12R0.251 CCC/C=C\CNC[C@H](O)C(=O)O db13ac52630388d8d1a45430fbbd9eec [0,1,0,0,0,0|1,0,2]=4 4711 B12R0.251 CCC/C=C\COCC(C)C(=O)O 2292953d160aac53c3b54b7ce4250eb0 [0,1,0,0,0,0|1,0,2]=4 4712 B12R0.251 CCC/C=C\COC[C@@H](C)C(=O)O f291e88b8f39f7ba0358b1c58c415f93 [0,1,0,0,0,0|1,0,2]=4 4713 B12R0.251 CCC/C=C\COC[C@H](C)C(=O)O 4c38822a58557828f955d1c55139e6d6 [0,1,0,0,0,0|1,0,2]=4 4714 B12R0.251 CCCC#CCOCC(C)C(=O)O 61094eae95b108a431865ff8628b14c5 [0,1,0,0,0,0|1,0,2]=4 4715 B12R0.251 CCCC/C=C/CNC(C)C(=O)O 40d6501e30c25c5b2cb2c5daf5d212c5 [0,1,0,0,0,0|1,0,2]=4 4716 B12R0.251 CCCC/C=C/CNC(O)C(=O)O e3f70db17c777e650e71f8b0f6925038 [0,1,0,0,0,0|1,0,2]=4 4717 B12R0.251 CCCC/C=C/CN[C@@H](C)C(=O)O fde0b37b9c9bde29a4bcc9b7e39197cd [0,1,0,0,0,0|1,0,2]=4 4718 B12R0.251 CCCC/C=C/CN[C@H](C)C(=O)O 2386ec55d54f3fc20080022dc39746ca [0,1,0,0,0,0|1,0,2]=4 4719 B12R0.251 CCCC/C=C/COC(C)C(=O)O 6279d27bbf612d8de507ff2194a98dc5 [0,1,0,0,0,0|1,0,2]=4 4720 B12R0.251 CCCC/C=C/COC(F)C(=O)O 4404f8a7e88310ffcb52e8d1618a6541 [0,1,0,0,0,0|1,0,2]=4 4721 B12R0.251 CCCC/C=C/CO[C@@H](C)C(=O)O 7635d8e3dd26169f930a8ef3255794de [0,1,0,0,0,0|1,0,2]=4 4722 B12R0.251 CCCC/C=C/CO[C@@H](F)C(=O)O 457b0a377bde4a5c7187c4fa070f8af4 [0,1,0,0,0,0|1,0,2]=4 4723 B12R0.251 CCCC/C=C/CO[C@H](C)C(=O)O 335bf3c94e91ff27199b14d69ebb60bf [0,1,0,0,0,0|1,0,2]=4 4724 B12R0.251 CCCC/C=C\CNC(C)C(=O)O 011b80077b048ec2e0b53abc62f4f469 [0,1,0,0,0,0|1,0,2]=4 4725 B12R0.251 CCCC/C=C\CNC(O)C(=O)O 205aecbaef0ad02c018c56da42d0f2a2 [0,1,0,0,0,0|1,0,2]=4 4726 B12R0.251 CCCC/C=C\CN[C@@H](C)C(=O)O 69c781a95a18ab0ba1bebdcb85c9b127 [0,1,0,0,0,0|1,0,2]=4 4727 B12R0.251 CCCC/C=C\CN[C@H](C)C(=O)O b4ada39d1e104c48910f95e98f825110 [0,1,0,0,0,0|1,0,2]=4 4728 B12R0.251 CCCC/C=C\COC(C)C(=O)O 08593384ceb0d3abafa7d0bd9cb0deb4 [0,1,0,0,0,0|1,0,2]=4 4729 B12R0.251 CCCC/C=C\CO[C@@H](C)C(=O)O 1300a7e03627b5832b64c93675740a52 [0,1,0,0,0,0|1,0,2]=4 4730 B12R0.251 CCCC/C=C\CO[C@H](C)C(=O)O 41cfc92fab86944991dff7e21098c5b6 [0,1,0,0,0,0|1,0,2]=4 4731 B12R0.251 CCCCCCCCN(C)C(=O)C 8d709d5226149bbe12dde031673cd44c [0,1,0,0,0,0|2,0,0]=3 4732 B12R0.251 CCCCCCCNC(=O)C(=O)C 2fc684b914636e7abc7cad1f2627b1b9 [0,1,0,0,0,0|2,0,1]=4 4733 B12R0.251 CCCCCCCNC(=O)C(=O)N 1ccb195c175e590d3f4a326f6cc467f9 [0,1,0,0,0,0|2,0,1]=4 4734 B12R0.251 CCCCCCCNC(C)C(=O)C 88d907782986c69dac214d54818d2184 [0,1,0,0,0,0|2,0,0]=3 4735 B12R0.251 CCCCCCCNC(C)C(=O)N 5df3576363b6eaa5b717d8cacc46e97f [0,1,0,0,0,0|2,0,0]=3 4736 B12R0.251 CCCCCCCNC(C)C(=O)O 0bf6764328836a014db9a3a355c88d18 [0,1,0,0,0,0|1,0,0]=2 4737 B12R0.251 CCCCCCCNC(C)C(C)O 064a8d272b8c435de1a1b82a1be5422f [0,1,0,0,0,0|2,0,1]=4 4738 B12R0.251 CCCCCCCNC(O)C(=O)O f51509c28799bcd70e26502ab647742f [0,1,0,0,0,0|1,0,0]=2 4739 B12R0.251 CCCCCCCN[C@@H](C)C(=O)N 0866561be0338fe5e46eb8015168b3fc [0,1,0,0,0,0|2,0,0]=3 4740 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O f1e125e94fbc3c206396172f15edc259 [0,1,0,0,0,0|1,0,0]=2 4741 B12R0.251 CCCCCCCN[C@H](C)C(=O)N df840dab7485c47159e9ada187533c73 [0,1,0,0,0,0|2,0,0]=3 4742 B12R0.251 CCCCCCCN[C@H](C)C(=O)O 65aaa795baa16cbae1d560736acb069b [0,1,0,0,0,0|1,0,0]=2 4743 B12R0.251 CCCCCCCOC(C)C(=O)C fc3e86ca8fc247cce46decdd16015c06 [0,1,0,0,0,0|2,0,0]=3 4744 B12R0.251 CCCCCCCOC(C)C(=O)N d8f212ba7adce3b232dc1723e2e4c2b1 [0,1,0,0,0,0|2,0,0]=3 4745 B12R0.251 CCCCCCCOC(C)C(=O)O a6783dbeebb3278a49c34700326a63c1 [0,1,0,0,0,0|1,0,0]=2 4746 B12R0.251 CCCCCCCOC(F)C(=O)N 715ee856407b10ba5aef4f6e6663ec35 [0,1,0,0,0,0|2,0,0]=3 4747 B12R0.251 CCCCCCCOC(F)C(=O)O df20dd3791b4bd55c4cc46f047d66b6d [0,1,0,0,0,0|1,0,0]=2 4748 B12R0.251 CCCCCCCO[C@@H](C)C(=O)N 3bde4d47c16f808b406a417324233afa [0,1,0,0,0,0|2,0,0]=3 4749 B12R0.251 CCCCCCCO[C@@H](C)C(=O)O 9ade8d39d0b7827b0d2bbc0c4dc21f74 [0,1,0,0,0,0|1,0,0]=2 4750 B12R0.251 CCCCCCCO[C@@H](F)C(=O)O b475846ec3fd1c66fe40d49a75618abc [0,1,0,0,0,0|1,0,0]=2 4751 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 8839a6fc29218b96ca2dee4240cc1268 [0,1,0,0,0,0|2,0,0]=3 4752 B12R0.251 CCCCCCCO[C@H](C)C(=O)O 004ba158e34fa871db9ef4e062488bc0 [0,1,0,0,0,0|1,0,0]=2 4753 B12R0.251 CCCCCCNCC(=O)C(=O)C 4a1ce11368fb9be2829343b5e0273ade [0,1,0,0,0,0|2,0,1]=4 4754 B12R0.251 CCCCCCNCC(=O)C(=O)O c60965e52d33bb072c708ea8e4714708 [0,1,0,0,0,0|1,0,1]=3 4755 B12R0.251 CCCCCCNCC(C)C(=O)O 68cbeab6031df552724e5d040ea8d8b9 [0,1,0,0,0,0|1,0,0]=2 4756 B12R0.251 CCCCCCNCC(F)C(=O)O 3a1d9907f0a5d79cb4260215bd6501cd [0,1,0,0,0,0|1,0,0]=2 4757 B12R0.251 CCCCCCNCC(O)C(=O)O 197e92ff6dce457e8910ad871ee7d4c4 [0,1,0,0,0,0|1,0,0]=2 4758 B12R0.251 CCCCCCNC[C@@H](C)C(=O)O 7dc356d9c9c6f90966da67bb84009883 [0,1,0,0,0,0|1,0,0]=2 4759 B12R0.251 CCCCCCNC[C@@H](O)C(=O)O 571f2d6e8ed05e05b2d07a57a18169e5 [0,1,0,0,0,0|1,0,0]=2 4760 B12R0.251 CCCCCCNC[C@H](C)C(=O)O b4b3074fdd0263159af7e473fcc19db3 [0,1,0,0,0,0|1,0,0]=2 4761 B12R0.251 CCCCCCNC[C@H](O)C(=O)O 5585dfd695fc74247eb810ae0d23a2d6 [0,1,0,0,0,0|1,0,0]=2 4762 B12R0.251 CCCCCCOCC(=O)C(=O)C e5d1741b57ed7606a27ceb2b1c0f6bfd [0,1,0,0,0,0|2,0,1]=4 4763 B12R0.251 CCCCCCOCC(=O)C(=O)O 6f6577248e21a9136fc0c350a91e7964 [0,1,0,0,0,0|1,0,1]=3 4764 B12R0.251 CCCCCCOCC(C)C(=O)C d67c2e4c5e2f810ce2b6051bcc118d4e [0,1,0,0,0,0|2,0,0]=3 4765 B12R0.251 CCCCCCOCC(C)C(=O)O 7bd97dee6812a484e02647b0d199144a [0,1,0,0,0,0|1,0,0]=2 4766 B12R0.251 CCCCCCOCC(C)[N+](=O)[O-] 92ca72c1da7adc199cb3095b09ca3f5d [0,1,0,0,0,0|2,0,1]=4 4767 B12R0.251 CCCCCCOC[C@@H](C)C(=O)O 8aa4480b40581d4ce42fad9dafad2cb3 [0,1,0,0,0,0|1,0,0]=2 4768 B12R0.251 CCCCCCOC[C@H](C)C(=O)O 4a21028a6ddb0d14a389367d8a007c68 [0,1,0,0,0,0|1,0,0]=2 4769 B12R0.251 CCCCCNCCC(F)C(=O)O 3f0e914ae2f258d054a2682830ee4e2d [0,1,0,0,0,0|1,0,0]=2 4770 B12R0.251 CCCCCNCCC(O)C(=O)O f089e6fabeb0bdad3d1e28e1dad0ed9c [0,1,0,0,0,0|1,0,0]=2 4771 B12R0.251 CCCCCNCC[C@H](O)C(=O)O c77ddabb8687fe061d7b77f13e027bb8 [0,1,0,0,0,0|1,0,0]=2 4772 B12R0.251 CCCCCOCCN(C)C(=O)C bda396d3cf42965051672143b315d6d3 [0,1,0,0,0,0|3,0,0]=4 4773 B12R0.251 CCCCNCCCC(C)C(=O)O eac345f993a3ba654bf1d71fa4b1b602 [0,1,0,0,0,0|1,0,0]=2 4774 B12R0.251 CCCCOCCCC(C)C(=O)O 7eceac3dec75b314e685f395f8f104b7 [0,1,0,0,0,0|1,0,0]=2 4775 B12R0.251 CCCCOCCNC(C)C(=O)C fe2b5834272873f0fb04e724d213912a [0,1,0,0,0,0|3,0,0]=4 4776 B12R0.251 CCCCOCCNC(C)C(=O)N 029216a5038786ae1aed7ed8e0f78218 [0,1,0,0,0,0|3,0,0]=4 4777 B12R0.251 CCCCOCCNC(C)C(=O)O bf706f82d0bb630c9abc711783057ac9 [0,1,0,0,0,0|2,0,0]=3 4778 B12R0.251 CCCCOCCNC(F)C(=O)N ad81cc7706a953baaa012fcd9af7625b [0,1,0,0,0,0|3,0,0]=4 4779 B12R0.251 CCCCOCCNC(O)C(=O)O 42055d6bd0c6f8ba1e59fb012f7f9a5d [0,1,0,0,0,0|2,0,0]=3 4780 B12R0.251 CCCCOCCN[C@@H](C)C(=O)N a44d2ce377bf4781922c70efc093b816 [0,1,0,0,0,0|3,0,0]=4 4781 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O f77403e313a46445cbd35bf7480b4ff5 [0,1,0,0,0,0|2,0,0]=3 4782 B12R0.251 CCCCOCCN[C@H](C)C(=O)N b2a470c91e054ad9e44d15fdc3030209 [0,1,0,0,0,0|3,0,0]=4 4783 B12R0.251 CCCCOCCN[C@H](C)C(=O)O fda329fb155fe3b534def1642bbab490 [0,1,0,0,0,0|2,0,0]=3 4784 B12R0.251 CCCCOCCOC(C)C(=O)C 04380dbd31a93e2839360bf1cd781d9b [0,1,0,0,0,0|3,0,0]=4 4785 B12R0.251 CCCCOCCOC(C)C(=O)N c8f068b2d17ba3ec148512438aa27927 [0,1,0,0,0,0|3,0,0]=4 4786 B12R0.251 CCCCOCCOC(C)C(=O)O 0319b5416f9a70c5be1edae7b0505637 [0,1,0,0,0,0|2,0,0]=3 4787 B12R0.251 CCCCOCCOC(F)C(=O)N 23cf48e04e9c1347ce6b395454589bba [0,1,0,0,0,0|3,0,0]=4 4788 B12R0.251 CCCCOCCOC(F)C(=O)O 1acf3098d135e2a212e2c75254bc056b [0,1,0,0,0,0|2,0,0]=3 4789 B12R0.251 CCCCOCCO[C@@H](C)C(=O)N df596ea6528c8a862cc14e39338a2ed6 [0,1,0,0,0,0|3,0,0]=4 4790 B12R0.251 CCCCOCCO[C@@H](C)C(=O)O c42dc20985eb738d2680ab2d6be54db6 [0,1,0,0,0,0|2,0,0]=3 4791 B12R0.251 CCCCOCCO[C@@H](F)C(=O)O 3827cf171a567be8ed448cad0f2e0279 [0,1,0,0,0,0|2,0,0]=3 4792 B12R0.251 CCCCOCCO[C@H](C)C(=O)N 1d7dca1b1e0aa79e1ae1dd0b73508aa6 [0,1,0,0,0,0|3,0,0]=4 4793 B12R0.251 CCCCOCCO[C@H](C)C(=O)O 9f92e4046edc3f95da014b4ed0f95480 [0,1,0,0,0,0|2,0,0]=3 4794 B12R0.251 CCCCOCNCC(C)C(=O)O 4f1593f76fb936c406f95dd868200ca8 [0,1,0,0,0,0|2,0,0]=3 4795 B12R0.251 CCCCOCNCC(F)C(=O)O 3ba6b5583515d755e1512be7c63707d6 [0,1,0,0,0,0|2,0,0]=3 4796 B12R0.251 CCCCOCNCC(O)C(=O)O 03cd64232b0418a2e877eb3f5fdb9637 [0,1,0,0,0,0|2,0,0]=3 4797 B12R0.251 CCCCOCNC[C@@H](C)C(=O)O 35a848cd1fac00262cb15aa3a2f047cc [0,1,0,0,0,0|2,0,0]=3 4798 B12R0.251 CCCCOCNC[C@@H](O)C(=O)O 1d9f1e93594df551554e2ffa0b7d338a [0,1,0,0,0,0|2,0,0]=3 4799 B12R0.251 CCCCOCNC[C@H](C)C(=O)O 2f3d25f39d1e50294f5852a6017cab6c [0,1,0,0,0,0|2,0,0]=3 4800 B12R0.251 CCCCOCNC[C@H](O)C(=O)O 16e63ce7767e42ccb7560b49176efdcd [0,1,0,0,0,0|2,0,0]=3 4801 B12R0.251 CCCCOCOCC(C)C(=O)C fd8b75818b43c450dc85c9b9f5f54d4a [0,1,0,0,0,0|3,0,0]=4 4802 B12R0.251 CCCCOCOCC(C)C(=O)O 0229a922d961ac86c1e6c0265e7681ee [0,1,0,0,0,0|2,0,0]=3 4803 B12R0.251 CCCCOCOC[C@@H](C)C(=O)O caf194705fe565db10d766d3268da934 [0,1,0,0,0,0|2,0,0]=3 4804 B12R0.251 CCCCOCOC[C@H](C)C(=O)O ef5a169ef70f156f336f084766ed5b27 [0,1,0,0,0,0|2,0,0]=3 4805 B12R0.251 CCCCSCCOC(C)C(=O)C f2701d9032bc63a06e849ce12fec729b [0,1,0,0,0,0|3,0,0]=4 4806 B12R0.251 CCCCSCCOC(C)C(=O)N bff6edd191d13eaf5e3afad2199bf66a [0,1,0,0,0,0|3,0,0]=4 4807 B12R0.251 CCCCSCCOC(C)C(=O)O f1ca43900527c5ed49c3eea0be0e515b [0,1,0,0,0,0|2,0,0]=3 4808 B12R0.251 CCCCSCCOC(F)C(=O)N 3a2ee647d7716d09ff9c0a8ae9e2d15c [0,1,0,0,0,0|3,0,0]=4 4809 B12R0.251 CCCCSCCOC(F)C(=O)O a45851b370fdad9334852c42ea2ef788 [0,1,0,0,0,0|2,0,0]=3 4810 B12R0.251 CCCCSCCO[C@@H](C)C(=O)N 59620372e9a28a426ec8dbb8c375c901 [0,1,0,0,0,0|3,0,0]=4 4811 B12R0.251 CCCCSCCO[C@@H](C)C(=O)O 32387cfebceb82047254851f4df39419 [0,1,0,0,0,0|2,0,0]=3 4812 B12R0.251 CCCCSCCO[C@@H](F)C(=O)O 2c2425b52bdb6920df5864a6b433943b [0,1,0,0,0,0|2,0,0]=3 4813 B12R0.251 CCCCSCCO[C@H](C)C(=O)N c2507a2d9895fca683218aa102c7c2aa [0,1,0,0,0,0|3,0,0]=4 4814 B12R0.251 CCCCSCCO[C@H](C)C(=O)O f1720d9e6168087f7b5154408d8373da [0,1,0,0,0,0|2,0,0]=3 4815 B12R0.251 CCCNCCSCC(C)C(=O)O 4fc24378afa29e857acad85afe229b8a [0,1,0,0,0,0|2,0,0]=3 4816 B12R0.251 CCCOCCCNC(C)C(=O)C 7fc2a3bf147e9c3d5cd61a09069d408e [0,1,0,0,0,0|3,0,0]=4 4817 B12R0.251 CCCOCCCNC(C)C(=O)N 3f611199f44a122cbc5dba9e098c442c [0,1,0,0,0,0|3,0,0]=4 4818 B12R0.251 CCCOCCCNC(C)C(=O)O d1bb3342bd5be0dd05d7c588453c0e8f [0,1,0,0,0,0|2,0,0]=3 4819 B12R0.251 CCCOCCCNC(F)C(=O)N a6150aa581ea62e22315d758ee7b2e8d [0,1,0,0,0,0|3,0,0]=4 4820 B12R0.251 CCCOCCCNC(O)C(=O)O a534233061633ee40976a54cca9014d7 [0,1,0,0,0,0|2,0,0]=3 4821 B12R0.251 CCCOCCCN[C@@H](C)C(=O)N 3001eae700cfc90f686a1014d02559e1 [0,1,0,0,0,0|3,0,0]=4 4822 B12R0.251 CCCOCCCN[C@@H](C)C(=O)O 7c709e163ef7e58279cc46e687a0da73 [0,1,0,0,0,0|2,0,0]=3 4823 B12R0.251 CCCOCCCN[C@H](C)C(=O)N 1fc52e5c91be79ae8e380efc34b7e0a0 [0,1,0,0,0,0|3,0,0]=4 4824 B12R0.251 CCCOCCCN[C@H](C)C(=O)O 9492848a18c629105c74fb4ac83ccbb9 [0,1,0,0,0,0|2,0,0]=3 4825 B12R0.251 CCCOCCCOC(C)C(=O)C d49e1536c52928122ceaece30ffa99ca [0,1,0,0,0,0|3,0,0]=4 4826 B12R0.251 CCCOCCCOC(C)C(=O)N 7822006902fa9c5b924f17d3f14d4b85 [0,1,0,0,0,0|3,0,0]=4 4827 B12R0.251 CCCOCCCOC(C)C(=O)O 72f30ecf6aaca0cf84ca5e891a942a69 [0,1,0,0,0,0|2,0,0]=3 4828 B12R0.251 CCCOCCCO[C@@H](C)C(=O)N 58a361491777b12823b424e13786274b [0,1,0,0,0,0|3,0,0]=4 4829 B12R0.251 CCCOCCCO[C@@H](C)C(=O)O 4030dd097ece686ea6e5d9877dd3e5d1 [0,1,0,0,0,0|2,0,0]=3 4830 B12R0.251 CCCOCCCO[C@H](C)C(=O)N 752959d29c520e5dd69f517d6470fec0 [0,1,0,0,0,0|3,0,0]=4 4831 B12R0.251 CCCOCCCO[C@H](C)C(=O)O dcf4440bde035d2332b9cd053305b070 [0,1,0,0,0,0|2,0,0]=3 4832 B12R0.251 CCCOCCNCC(=O)C(=O)O e619845fdec6b23e92d24733a856acd4 [0,1,0,0,0,0|2,0,1]=4 4833 B12R0.251 CCCOCCNCC(C)C(=O)O d6d685aa4a40ef2c75e6131d68e3090c [0,1,0,0,0,0|2,0,0]=3 4834 B12R0.251 CCCOCCNCC(F)C(=O)O 20eab0fd359091f2167045a05fdd408c [0,1,0,0,0,0|2,0,0]=3 4835 B12R0.251 CCCOCCNCC(O)C(=O)O aca73eec211a5f26721ceecb4491de0c [0,1,0,0,0,0|2,0,0]=3 4836 B12R0.251 CCCOCCNC[C@@H](C)C(=O)O 1e45e855fe003ecdddec1c46e84bc753 [0,1,0,0,0,0|2,0,0]=3 4837 B12R0.251 CCCOCCNC[C@@H](O)C(=O)O 7767f7ac9da6c6aa70b206f8aedb38ec [0,1,0,0,0,0|2,0,0]=3 4838 B12R0.251 CCCOCCNC[C@H](C)C(=O)O 0a82966da4454d2bd798bf1e3f5adf76 [0,1,0,0,0,0|2,0,0]=3 4839 B12R0.251 CCCOCCNC[C@H](O)C(=O)O 4aa5a52469bc0decfb737e30922e8e18 [0,1,0,0,0,0|2,0,0]=3 4840 B12R0.251 CCCOCCOCC(=O)C(=O)O 874eceeda23edd70c6b7f0f983f05c76 [0,1,0,0,0,0|2,0,1]=4 4841 B12R0.251 CCCOCCOCC(C)C(=O)C aaf0588c3af77e874bc2df4607bf0990 [0,1,0,0,0,0|3,0,0]=4 4842 B12R0.251 CCCOCCOCC(C)C(=O)O fb05deb1541db4f373b3217ef2368288 [0,1,0,0,0,0|2,0,0]=3 4843 B12R0.251 CCCOCCOC[C@@H](C)C(=O)O 37bd3ff46672307fa7d6790b7d211571 [0,1,0,0,0,0|2,0,0]=3 4844 B12R0.251 CCCOCCOC[C@H](C)C(=O)O f8bba6103b5a2e47ffe4460abf90c935 [0,1,0,0,0,0|2,0,0]=3 4845 B12R0.251 CCCSCCOCC(=O)C(=O)O df16760f188d35b66cf9a7c3ee9d5e92 [0,1,0,0,0,0|2,0,1]=4 4846 B12R0.251 CCCSCCOCC(C)C(=O)O f60dc71919d917a14a19f98f0994db64 [0,1,0,0,0,0|2,0,0]=3 4847 B12R0.251 CCOCCCNCC(=O)C(=O)O c657474b13a1c2acebeb25eef644e3cc [0,1,0,0,0,0|2,0,1]=4 4848 B12R0.251 CCOCCCNCC(C)C(=O)O 9693792028bce3d92c7c166333cf450c [0,1,0,0,0,0|2,0,0]=3 4849 B12R0.251 CCOCCCNCC(F)C(=O)O d97d56aea871013605fbb0748196b4e5 [0,1,0,0,0,0|2,0,0]=3 4850 B12R0.251 CCOCCCNCC(O)C(=O)O 60afad916cf3990b8ba119e0829f361a [0,1,0,0,0,0|2,0,0]=3 4851 B12R0.251 CCOCCCNC[C@@H](C)C(=O)O 856fead35b978a2fd886e59ecc407f7a [0,1,0,0,0,0|2,0,0]=3 4852 B12R0.251 CCOCCCNC[C@@H](O)C(=O)O 9948d7d7c3cbcf5002c109c41255897b [0,1,0,0,0,0|2,0,0]=3 4853 B12R0.251 CCOCCCNC[C@H](C)C(=O)O faa688b5064dd4e95ace61b98e3fb896 [0,1,0,0,0,0|2,0,0]=3 4854 B12R0.251 CCOCCCNC[C@H](O)C(=O)O 7d7396f69c09a512cdcb8f1625d5b34a [0,1,0,0,0,0|2,0,0]=3 4855 B12R0.251 CCOCCCOCC(=O)C(=O)O 04e62cff30f9134cb26825fdb364f889 [0,1,0,0,0,0|2,0,1]=4 4856 B12R0.251 CCOCCCOCC(C)C(=O)C fc1a5153481e16fb6ac0116fd3828127 [0,1,0,0,0,0|3,0,0]=4 4857 B12R0.251 CCOCCCOCC(C)C(=O)O 2cee52ff457da08daa791e667d1a76f3 [0,1,0,0,0,0|2,0,0]=3 4858 B12R0.251 CCOCCCOC[C@@H](C)C(=O)O 5fe549c8f795585448ac36c547b1554e [0,1,0,0,0,0|2,0,0]=3 4859 B12R0.251 CCOCCCOC[C@H](C)C(=O)O ff6c10bfdce8482745ec0e4539f3b905 [0,1,0,0,0,0|2,0,0]=3 4860 B12R0.251 CCOCCNCCC(F)C(=O)O ada5799fbc2d92c6cc2a6515a1fd2f61 [0,1,0,0,0,0|2,0,0]=3 4861 B12R0.251 CCOCCNCCC(O)C(=O)O f961f2aab0e6bdeeb48880508bb47a8e [0,1,0,0,0,0|2,0,0]=3 4862 B12R0.251 CCOCCNCC[C@H](O)C(=O)O 0542a2c04eab2cc480f7866e389d9c4f [0,1,0,0,0,0|2,0,0]=3 4863 B12R0.251 CCSCCCCNC(C)C(=O)C faf8ba4b79aa01896b21ba68e7ed92b0 [0,1,0,0,0,0|3,0,0]=4 4864 B12R0.251 CCSCCCCNC(C)C(=O)N bc78b7a6c10380dd20d988cf382a09f6 [0,1,0,0,0,0|3,0,0]=4 4865 B12R0.251 CCSCCCCNC(C)C(=O)O 0a2f408b33ffb1f5132664d6846bcafa [0,1,0,0,0,0|2,0,0]=3 4866 B12R0.251 CCSCCCCNC(F)C(=O)N ee20882440d5021480974a47465cc11e [0,1,0,0,0,0|3,0,0]=4 4867 B12R0.251 CCSCCCCN[C@@H](C)C(=O)N b1e9c33373e57093f23dcb888721c93c [0,1,0,0,0,0|3,0,0]=4 4868 B12R0.251 CCSCCCCN[C@@H](C)C(=O)O 2ac0629bc09d379c11bde23a74137e66 [0,1,0,0,0,0|2,0,0]=3 4869 B12R0.251 CCSCCCCN[C@H](C)C(=O)N 501a6f24805f1ff67b12a5d1c120e779 [0,1,0,0,0,0|3,0,0]=4 4870 B12R0.251 CCSCCCCN[C@H](C)C(=O)O 9093b53b9e456d26ca0ec151dc3d5b4c [0,1,0,0,0,0|2,0,0]=3 4871 B12R0.251 CCSCCCNCC(C)C(=O)O 1a4b8418d936e22c40b40e25f1a6924b [0,1,0,0,0,0|2,0,0]=3 4872 B12R0.251 CCSCCCNC[C@@H](C)C(=O)O 6f9a8017daa131e9be98e832f694fb5e [0,1,0,0,0,0|2,0,0]=3 4873 B12R0.251 CCSCCCNC[C@H](C)C(=O)O 3b3fc5616533aff05ef3c436a05f3e90 [0,1,0,0,0,0|2,0,0]=3 4874 B12R0.251 CCSCCCOCC(C)C(=O)C 996abc052f2817208fc76ba8b4f2fef1 [0,1,0,0,0,0|3,0,0]=4 4875 B12R0.251 CCSCCCOCC(C)C(=O)O 20bc68013b21d155f1f69b1cc5e65ded [0,1,0,0,0,0|2,0,0]=3 4876 B12R0.251 CCSCCCOC[C@@H](C)C(=O)O 819647e6bc6ef0a6ef54f6a1af4eecf8 [0,1,0,0,0,0|2,0,0]=3 4877 B12R0.251 CCSCCCOC[C@H](C)C(=O)O bb0b2079d92d4191dc50c073dd8f4b0e [0,1,0,0,0,0|2,0,0]=3 4878 B12R0.251 CCSCCNCCC(F)C(=O)O 735bfa599160fd0bfd3bd5c69edc3461 [0,1,0,0,0,0|2,0,0]=3 4879 B12R0.251 CCSCCNCCC(O)C(=O)O cb9f7f0136159b8904fade945259dc09 [0,1,0,0,0,0|2,0,0]=3 4880 B12R0.251 CCSCCNCC[C@H](O)C(=O)O f2e00ecbf6173d41588052b1a21970df [0,1,0,0,0,0|2,0,0]=3 4881 B12R0.251 COCCCCCNC(C)C(=O)C 4915932bfa5d5d5513fcfdcf931c57fb [0,1,0,0,0,0|3,0,0]=4 4882 B12R0.251 COCCCCCNC(C)C(=O)N e192ce8df8617821e868dba20746839a [0,1,0,0,0,0|3,0,0]=4 4883 B12R0.251 COCCCCCNC(C)C(=O)O 94100760e8232980c4b8836ea55ebb87 [0,1,0,0,0,0|2,0,0]=3 4884 B12R0.251 COCCCCCNC(F)C(=O)N 7a0a4ffcda88bcfb458b32feede888a1 [0,1,0,0,0,0|3,0,0]=4 4885 B12R0.251 COCCCCCNC(F)C(=O)O e4f45496e199206318acb27c3564ce2b [0,1,0,0,0,0|2,0,0]=3 4886 B12R0.251 COCCCCCNC(O)C(=O)O d0f970a618b34c5b001b93c0ecabb5f5 [0,1,0,0,0,0|2,0,0]=3 4887 B12R0.251 COCCCCCN[C@@H](C)C(=O)N 86c66127cb3bf71e0810c9297432800b [0,1,0,0,0,0|3,0,0]=4 4888 B12R0.251 COCCCCCN[C@@H](C)C(=O)O 5d5057b36c031d3ec6bd63dd0f49cb17 [0,1,0,0,0,0|2,0,0]=3 4889 B12R0.251 COCCCCCN[C@H](C)C(=O)N 87b69f7154a724a3c3c6a57e157c6385 [0,1,0,0,0,0|3,0,0]=4 4890 B12R0.251 COCCCCCN[C@H](C)C(=O)O 792950bb17cadc3e8b34f96e795bc81d [0,1,0,0,0,0|2,0,0]=3 4891 B12R0.251 COCCCCCOC(C)C(=O)C 85d7b2593e34c48548a9a0502574005a [0,1,0,0,0,0|3,0,0]=4 4892 B12R0.251 COCCCCCOC(C)C(=O)N c4320cf3a1f8de70652d6f576e85ddf9 [0,1,0,0,0,0|3,0,0]=4 4893 B12R0.251 COCCCCCOC(C)C(=O)O 5b2833a601c2f3d2d7a8a458ba63b62b [0,1,0,0,0,0|2,0,0]=3 4894 B12R0.251 COCCCCCO[C@@H](C)C(=O)N 56fc2366d2656778b80da47a6fe4ecb3 [0,1,0,0,0,0|3,0,0]=4 4895 B12R0.251 COCCCCCO[C@@H](C)C(=O)O 24952bdec0a89722d1bb0e57aa089c2c [0,1,0,0,0,0|2,0,0]=3 4896 B12R0.251 COCCCCCO[C@H](C)C(=O)N f0a744c963fdaf080775211cb2ff3c52 [0,1,0,0,0,0|3,0,0]=4 4897 B12R0.251 COCCCCCO[C@H](C)C(=O)O 55984d14095d38af5493a547dd0ec90a [0,1,0,0,0,0|2,0,0]=3 4898 B12R0.251 COCCCCNCC(=O)C(=O)O aca4da7ef45219dd29eaa56d05d0307b [0,1,0,0,0,0|2,0,1]=4 4899 B12R0.251 COCCCCNCC(C)C(=O)O 866bd4021111d37f7d8530bdf8609939 [0,1,0,0,0,0|2,0,0]=3 4900 B12R0.251 COCCCCNCC(F)C(=O)O 757c0c16e9e3f5115212e7bc1e736c50 [0,1,0,0,0,0|2,0,0]=3 4901 B12R0.251 COCCCCNCC(O)C(=O)O 398f35eaeb7ccbad83994f5bf759304c [0,1,0,0,0,0|2,0,0]=3 4902 B12R0.251 COCCCCNC[C@@H](C)C(=O)O c9062a66b5d0afb58060835374e92857 [0,1,0,0,0,0|2,0,0]=3 4903 B12R0.251 COCCCCNC[C@@H](O)C(=O)O 2630571b1a74ec4d0176acdadae35bd6 [0,1,0,0,0,0|2,0,0]=3 4904 B12R0.251 COCCCCNC[C@H](C)C(=O)O e649c0ccf52e1b75efeea246c602b0a4 [0,1,0,0,0,0|2,0,0]=3 4905 B12R0.251 COCCCCNC[C@H](O)C(=O)O c3b46521bae5a596127373fb78ffc772 [0,1,0,0,0,0|2,0,0]=3 4906 B12R0.251 COCCCCOCC(=O)C(=O)O 5814d2c507477487b75831a46da26b53 [0,1,0,0,0,0|2,0,1]=4 4907 B12R0.251 COCCCCOCC(C)C(=O)C f8c978308ebdacb411263b9fc1d5c579 [0,1,0,0,0,0|3,0,0]=4 4908 B12R0.251 COCCCCOCC(C)C(=O)O 8ec7bcb45b25702ebe818a7a3fb71519 [0,1,0,0,0,0|2,0,0]=3 4909 B12R0.251 COCCCCOC[C@@H](C)C(=O)O 97699ad849857f104f53659fa1c88b0e [0,1,0,0,0,0|2,0,0]=3 4910 B12R0.251 COCCCCOC[C@H](C)C(=O)O 570afaf71b48f37b3d41ed6c5021d82d [0,1,0,0,0,0|2,0,0]=3 4911 B12R0.251 COCCCNCCC(F)C(=O)O 62b0054ae43f6bdac170057a00212e04 [0,1,0,0,0,0|2,0,0]=3 4912 B12R0.251 COCCCNCCC(O)C(=O)O 4e64e371df4274a61870df5457561ff0 [0,1,0,0,0,0|2,0,0]=3 4913 B12R0.251 COCCCNCC[C@H](O)C(=O)O 331c0c3c00e3709a8677e5eb90547898 [0,1,0,0,0,0|2,0,0]=3 4914 B12R0.251 COCCNCCCC(C)C(=O)O 3b0b95898ca8de963aa9b5f93b23b4b6 [0,1,0,0,0,0|2,0,0]=3 4915 B12R0.251 COCCOCCCC(C)C(=O)O 317788692d749bc6da498e03dca7634a [0,1,0,0,0,0|2,0,0]=3 4916 B12R0.251 COCCOCCNC(C)C(=O)O d4fce928bd4aba9dd1a56aa890feaacd [0,1,0,0,0,0|3,0,0]=4 4917 B12R0.251 COCCOCCNC(F)C(=O)O 529aa5bda1a180164a8036ad106ca326 [0,1,0,0,0,0|3,0,0]=4 4918 B12R0.251 COCCOCCNC(O)C(=O)O 288911a6632f22a7b1474afd1bf4ee0e [0,1,0,0,0,0|3,0,0]=4 4919 B12R0.251 COCCOCCN[C@@H](C)C(=O)O 2c53acd074fa57cc88477e71ead34b7d [0,1,0,0,0,0|3,0,0]=4 4920 B12R0.251 COCCOCCN[C@@H](F)C(=O)O c1c9b24c8aa75484791272c384cd2e62 [0,1,0,0,0,0|3,0,0]=4 4921 B12R0.251 COCCOCCN[C@H](C)C(=O)O 5a49eb882849dc901b3a1d380c1c0a9a [0,1,0,0,0,0|3,0,0]=4 4922 B12R0.251 COCCOCCOC(C)C(=O)O fec7b524fcbc175b3e7fba04758b8eca [0,1,0,0,0,0|3,0,0]=4 4923 B12R0.251 COCCOCCOC(F)C(=O)O b174aeb4b92f75bc3959203baa2f2cbe [0,1,0,0,0,0|3,0,0]=4 4924 B12R0.251 COCCOCCO[C@@H](C)C(=O)O e0679b52bce25aa5a533f356c81ddf0c [0,1,0,0,0,0|3,0,0]=4 4925 B12R0.251 COCCOCCO[C@@H](F)C(=O)O 9ca79e7e80b72f300a179b53e47f54d1 [0,1,0,0,0,0|3,0,0]=4 4926 B12R0.251 COCCOCCO[C@H](C)C(=O)O 7344e65d87466a2a9cc7b56d97e2ed80 [0,1,0,0,0,0|3,0,0]=4 4927 B12R0.251 COCCOCNCC(C)C(=O)O 27bdd42500962ef8ba523427e61e9aae [0,1,0,0,0,0|3,0,0]=4 4928 B12R0.251 COCCOCNCC(F)C(=O)O 89af70d23447ece313f7394f18f9bf0d [0,1,0,0,0,0|3,0,0]=4 4929 B12R0.251 COCCOCNCC(O)C(=O)O 8447a094458606bba4a229058c65f4ce [0,1,0,0,0,0|3,0,0]=4 4930 B12R0.251 COCCOCNC[C@@H](C)C(=O)O be6851465a0a5e6024601fe93d883461 [0,1,0,0,0,0|3,0,0]=4 4931 B12R0.251 COCCOCNC[C@@H](O)C(=O)O 804a9148884063007007e244d363e75b [0,1,0,0,0,0|3,0,0]=4 4932 B12R0.251 COCCOCNC[C@H](C)C(=O)O 30b130b3d3f254165bec66d911047886 [0,1,0,0,0,0|3,0,0]=4 4933 B12R0.251 COCCOCNC[C@H](O)C(=O)O 7d1046621257d2d4a1295ba7846effc9 [0,1,0,0,0,0|3,0,0]=4 4934 B12R0.251 COCCOCOCC(C)C(=O)O 7603737b2c6e76fd867f9c87abdea66a [0,1,0,0,0,0|3,0,0]=4 4935 B12R0.251 COCCOCOC[C@@H](C)C(=O)O bc1c967c9ee13b256cb21341567818f5 [0,1,0,0,0,0|3,0,0]=4 4936 B12R0.251 COCCOCOC[C@H](C)C(=O)O 3ae1285483871dfe84210b8fbfdb3d2b [0,1,0,0,0,0|3,0,0]=4 4937 B12R0.251 COCOCCNCC(C)C(=O)O 7047a594de634cfc4e060aea619ffb5f [0,1,0,0,0,0|3,0,0]=4 4938 B12R0.251 COCOCCNCC(F)C(=O)O 4a95d5bc107a37be76584cdfbf80b19a [0,1,0,0,0,0|3,0,0]=4 4939 B12R0.251 COCOCCNCC(O)C(=O)O a682a139acfc60bb7b2bc111317498f5 [0,1,0,0,0,0|3,0,0]=4 4940 B12R0.251 COCOCCNC[C@@H](C)C(=O)O 147822158f5c05033a40e361252661e7 [0,1,0,0,0,0|3,0,0]=4 4941 B12R0.251 COCOCCNC[C@@H](O)C(=O)O 03359e4313b15edc4051c42b934eab89 [0,1,0,0,0,0|3,0,0]=4 4942 B12R0.251 COCOCCNC[C@H](C)C(=O)O 11096259430fd10d1cde2495148c3aa5 [0,1,0,0,0,0|3,0,0]=4 4943 B12R0.251 COCOCCNC[C@H](O)C(=O)O c1766f8ba17c4b7444078f21a078ee91 [0,1,0,0,0,0|3,0,0]=4 4944 B12R0.251 COCOCCOCC(C)C(=O)O 6d141de4206f92c2850559cb392a572d [0,1,0,0,0,0|3,0,0]=4 4945 B12R0.251 COCOCCOC[C@@H](C)C(=O)O 89a3b4b62718de5cb9316eb1265300d7 [0,1,0,0,0,0|3,0,0]=4 4946 B12R0.251 COCOCCOC[C@H](C)C(=O)O 510809bd4e1c54a225469a9c0e25dc3b [0,1,0,0,0,0|3,0,0]=4 4947 B12R0.251 CSCCCCNCC(=O)C(=O)O 39697eaedd3ba06816422def33aa70e3 [0,1,0,0,0,0|2,0,1]=4 4948 B12R0.251 CSCCCCNCC(C)C(=O)O defbc57d3eac446f5fc2308a6db41c2d [0,1,0,0,0,0|2,0,0]=3 4949 B12R0.251 CSCCCCOCC(=O)C(=O)O 3c99d8ceb390f511eaaa58ebd62e4caf [0,1,0,0,0,0|2,0,1]=4 4950 B12R0.251 CSCCCCOCC(C)C(=O)O 0f45ce37520907407464253f32f13a26 [0,1,0,0,0,0|2,0,0]=3 4951 B12R0.251 CSCCCNCCC(F)C(=O)O e307ac54e52c4f8cc58a474c02fc2423 [0,1,0,0,0,0|2,0,0]=3 4952 B12R0.251 CSCCCNCCC(O)C(=O)O 0202439ed49f005c32353e13df9b4185 [0,1,0,0,0,0|2,0,0]=3 4953 B12R0.251 CSCCCNCC[C@H](O)C(=O)O 4568a4e217aa8ff97a8c7066dde6da0b [0,1,0,0,0,0|2,0,0]=3 4954 B12R0.251 CSCCNCCCC(C)C(=O)O 4ef79f5baf27e2c6e7085a6959845fde [0,1,0,0,0,0|2,0,0]=3 4955 B12R0.251 CSCCOCCCC(C)C(=O)O 0e9bcb772cc4127fc6ecae7deea78752 [0,1,0,0,0,0|2,0,0]=3 4956 B12R0.251 CSCNCCSCC(C)C(=O)O b56c199092cc6d2e71e24cf5d3307a15 [0,1,0,0,0,0|3,0,0]=4 4957 B12R0.251 C[C@@H](CNCCCCC#N)C(=O)O 2c62d1663ffb49419a2640c75403b17c [0,1,0,0,0,0|2,0,1]=4 4958 B12R0.251 C[C@@H](CNCCCCC=O)C(=O)O 09233628d47cd52d75510c9bf94bb49b [0,1,0,0,0,0|2,0,1]=4 4959 B12R0.251 C[C@@H](CNCCCCCF)C(=O)O 693cf6f588b5a6fa0e41c8e287e01894 [0,1,0,0,0,0|2,0,0]=3 4960 B12R0.251 C[C@@H](CNCCCCCO)C(=O)O c3d8bc77d8ce50d6747653bdd35741f5 [0,1,0,0,0,0|2,0,0]=3 4961 B12R0.251 C[C@@H](CNCCCCON)C(=O)O b1ee3447abc48c8f233e0d6c2d8caae5 [0,1,0,0,0,0|3,0,0]=4 4962 B12R0.251 C[C@@H](CNCCOCCO)C(=O)O df15513dc54f90111c9919a7b3e5e360 [0,1,0,0,0,0|3,0,0]=4 4963 B12R0.251 C[C@@H](COCCCCC#N)C(=O)O 7d3ce5fbfb164f34edb63e8b54a8b07c [0,1,0,0,0,0|2,0,1]=4 4964 B12R0.251 C[C@@H](COCCCCC=O)C(=O)O 7ff1e28339ba98b14b657ae051c920e5 [0,1,0,0,0,0|2,0,1]=4 4965 B12R0.251 C[C@@H](COCCCCCF)C(=O)O 2fc44e49e73f9f5a2dafbaaa372f7b3f [0,1,0,0,0,0|2,0,0]=3 4966 B12R0.251 C[C@@H](NCCCCCC#N)C(=O)O f02e32136aad8a5c3da97f72914ffb20 [0,1,0,0,0,0|2,0,1]=4 4967 B12R0.251 C[C@@H](NCCCCCC=O)C(=O)O a2712697a95e1af32bd4dae0cdc373be [0,1,0,0,0,0|2,0,1]=4 4968 B12R0.251 C[C@@H](NCCCCCCCl)C(=O)N 5da66aecb4aee7490cc8af2f14ca7833 [0,1,0,0,0,0|3,0,0]=4 4969 B12R0.251 C[C@@H](NCCCCCCCl)C(=O)O 33bb8bd983c4c4c6cefc53b7fc479eba [0,1,0,0,0,0|2,0,0]=3 4970 B12R0.251 C[C@@H](NCCCCCCF)C(=O)N 40de8be23b2e82522aae409890107c9d [0,1,0,0,0,0|3,0,0]=4 4971 B12R0.251 C[C@@H](NCCCCCCF)C(=O)O a75a80d20da891921520ecdd5ca49bf5 [0,1,0,0,0,0|2,0,0]=3 4972 B12R0.251 C[C@@H](NCCCCCCO)C(=O)N a7c519b68539d130b79b414bcb2e1347 [0,1,0,0,0,0|3,0,0]=4 4973 B12R0.251 C[C@@H](NCCCCCCO)C(=O)O 6a952f6fd1801fb881d13ebc1db5490c [0,1,0,0,0,0|2,0,0]=3 4974 B12R0.251 C[C@@H](NCCCOCCO)C(=O)O dd5cd4ebd4f18fd12f639616838686af [0,1,0,0,0,0|3,0,0]=4 4975 B12R0.251 C[C@@H](OCCCCCC#N)C(=O)O a5fba2a703aa97e686128e9bbf100de5 [0,1,0,0,0,0|2,0,1]=4 4976 B12R0.251 C[C@@H](OCCCCCC=O)C(=O)O 62f2a071473379548bc5cc0b57fe1a52 [0,1,0,0,0,0|2,0,1]=4 4977 B12R0.251 C[C@@H](OCCCCCCF)C(=O)N b2b39cc165a065425ec4a4af41943991 [0,1,0,0,0,0|3,0,0]=4 4978 B12R0.251 C[C@@H](OCCCCCCF)C(=O)O 939094be185f886d431cb1f0ec933cbf [0,1,0,0,0,0|2,0,0]=3 4979 B12R0.251 C[C@@H](OCCCCCCS)C(=O)N a98212b85c29dbd9e94b58dcce918109 [0,1,0,0,0,0|3,0,0]=4 4980 B12R0.251 C[C@H](CNCCCCC#N)C(=O)O 690f74731dbf4989272f7424b09efb4a [0,1,0,0,0,0|2,0,1]=4 4981 B12R0.251 C[C@H](CNCCCCC=O)C(=O)O 88025c024ce0a5af07c8a9390e7bea31 [0,1,0,0,0,0|2,0,1]=4 4982 B12R0.251 C[C@H](CNCCCCCF)C(=O)O 78f1edf70e8339c9dafbcca76d9549bb [0,1,0,0,0,0|2,0,0]=3 4983 B12R0.251 C[C@H](CNCCCCCO)C(=O)O a89e28bc058cecc052933397c51df9cb [0,1,0,0,0,0|2,0,0]=3 4984 B12R0.251 C[C@H](CNCCCCON)C(=O)O 2d5e180198e52e9f9a36c25cf6bfddd3 [0,1,0,0,0,0|3,0,0]=4 4985 B12R0.251 C[C@H](CNCCOCCO)C(=O)O f0ac1b8814d37dacf880637d041d8bc8 [0,1,0,0,0,0|3,0,0]=4 4986 B12R0.251 C[C@H](COCCCCC#N)C(=O)O bfafe02ec87396568934069a45852e11 [0,1,0,0,0,0|2,0,1]=4 4987 B12R0.251 C[C@H](COCCCCC=O)C(=O)O e0a277da65b2ec46ef025b5c410b1891 [0,1,0,0,0,0|2,0,1]=4 4988 B12R0.251 C[C@H](COCCCCCF)C(=O)O 9beddbe1e9855b3abfb9df83e9efe92d [0,1,0,0,0,0|2,0,0]=3 4989 B12R0.251 C[C@H](NCCCCCC#N)C(=O)O 8ae6838699b7c2bba99981feded1d817 [0,1,0,0,0,0|2,0,1]=4 4990 B12R0.251 C[C@H](NCCCCCC=O)C(=O)O 112e400445ec654edc4dabbad886e89a [0,1,0,0,0,0|2,0,1]=4 4991 B12R0.251 C[C@H](NCCCCCCCl)C(=O)N c623f61bea21d65c2e19a28071423af8 [0,1,0,0,0,0|3,0,0]=4 4992 B12R0.251 C[C@H](NCCCCCCCl)C(=O)O 53810d55e51d7385e08e893e5b0c9202 [0,1,0,0,0,0|2,0,0]=3 4993 B12R0.251 C[C@H](NCCCCCCF)C(=O)N 7da93be3d04ea3f1f39653aa3b372a9b [0,1,0,0,0,0|3,0,0]=4 4994 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 969ac9a3396ffdb86cfffdcfafd80912 [0,1,0,0,0,0|2,0,0]=3 4995 B12R0.251 C[C@H](NCCCCCCO)C(=O)N 7f7839b47a9fd8082a7ed8eac5bbd3d7 [0,1,0,0,0,0|3,0,0]=4 4996 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 3151feec3d8fdee2979681bd3d841b0c [0,1,0,0,0,0|2,0,0]=3 4997 B12R0.251 C[C@H](NCCCOCCO)C(=O)O 9de4b60ad64fa1fed10dc64ed5438cc5 [0,1,0,0,0,0|3,0,0]=4 4998 B12R0.251 C[C@H](OCCCCCC#N)C(=O)O a825b7f03b051f49267191b63d93a204 [0,1,0,0,0,0|2,0,1]=4 4999 B12R0.251 C[C@H](OCCCCCC=O)C(=O)O 531538428be8f12ee28ae37fcc098b8f [0,1,0,0,0,0|2,0,1]=4 5000 B12R0.251 C[C@H](OCCCCCCF)C(=O)N c1a12336d4b818747495f149cbb8eff5 [0,1,0,0,0,0|3,0,0]=4 5001 B12R0.251 C[C@H](OCCCCCCF)C(=O)O 620e7f4813d57bbb1bb7cf66682cb641 [0,1,0,0,0,0|2,0,0]=3 5002 B12R0.251 C[C@H](OCCCCCCS)C(=O)N 9e83a2579479a15fd29d18b710428bcf [0,1,0,0,0,0|3,0,0]=4 5003 B12R0.251 N#CCCCCCNC(O)C(=O)O cd1ebe618ead981eb77a75faf6d45c68 [0,1,0,0,0,0|2,0,1]=4 5004 B12R0.251 N#CCCCCNCC(F)C(=O)O ee86d1137e42bbf2585e0f346897101d [0,1,0,0,0,0|2,0,1]=4 5005 B12R0.251 N#CCCCCNCC(O)C(=O)O f900074174cf5486f4dd5b3aff4d5084 [0,1,0,0,0,0|2,0,1]=4 5006 B12R0.251 N#CCCCCNC[C@@H](O)C(=O)O 09f8989276868ae2b3ef1f72ddff5df7 [0,1,0,0,0,0|2,0,1]=4 5007 B12R0.251 N#CCCCCNC[C@H](O)C(=O)O 117d08c05d44f0ba3b0bc674e64d3395 [0,1,0,0,0,0|2,0,1]=4 5008 B12R0.251 N#CCCCNCCC(F)C(=O)O 70e93c935ba6cd22650ccabea6bce113 [0,1,0,0,0,0|2,0,1]=4 5009 B12R0.251 N#CCCCNCCC(O)C(=O)O 7998d0dc6ff392e578d8cdb8f9b6b671 [0,1,0,0,0,0|2,0,1]=4 5010 B12R0.251 N#CCCCNCC[C@H](O)C(=O)O d50b3db7ee0612a582ef55f314e3f54e [0,1,0,0,0,0|2,0,1]=4 5011 B12R0.251 NC(=O)C(F)NCCCCCCCl e524a06b5e7e6fcfa55f96459cffdfad [0,1,0,0,0,0|3,0,0]=4 5012 B12R0.251 NC(=O)C(F)NCCCCCCO 9a12c2fb03f8ad3cd4314f0d165ded6e [0,1,0,0,0,0|3,0,0]=4 5013 B12R0.251 NC(=O)C(F)OCCCCCCF 0b376a77954ea151d80b426213cad0ed [0,1,0,0,0,0|3,0,0]=4 5014 B12R0.251 NC(=O)C(F)OCCCCCCS 41e4f8b2c99f779e7c4ff2dba32ab385 [0,1,0,0,0,0|3,0,0]=4 5015 B12R0.251 NOCCCCNCC(F)C(=O)O 6221776474112e85d8fa99c4d4facab5 [0,1,0,0,0,0|3,0,0]=4 5016 B12R0.251 NOCCCCNCC(O)C(=O)O 8664cee25c7b4897c61a5cde4604e161 [0,1,0,0,0,0|3,0,0]=4 5017 B12R0.251 NOCCCCNC[C@@H](O)C(=O)O 18fa7dd01eb75f831093d5afcfb00a67 [0,1,0,0,0,0|3,0,0]=4 5018 B12R0.251 NOCCCCNC[C@H](O)C(=O)O 2df54dd212826ed7936190a7f6fe2ca4 [0,1,0,0,0,0|3,0,0]=4 5019 B12R0.251 O=C(O)C(=O)CNCCCCCCl 2d35e92b108eea5235d5566ea32cb615 [0,1,0,0,0,0|2,0,1]=4 5020 B12R0.251 O=C(O)C(=O)CNCCCCCO 43ae10599df21aa5b1ca1e75f8ff72d0 [0,1,0,0,0,0|2,0,1]=4 5021 B12R0.251 O=C(O)C(F)CCNCCCCF b5742001e8de963af2d8645dc62aa1a8 [0,1,0,0,0,0|2,0,0]=3 5022 B12R0.251 O=C(O)C(F)CCNCCCCO f34a4991f4822340c5e7107b6476d302 [0,1,0,0,0,0|2,0,0]=3 5023 B12R0.251 O=C(O)C(F)CNCCCCCF 538518a7f69a4b4dc2279300c5b24010 [0,1,0,0,0,0|2,0,0]=3 5024 B12R0.251 O=C(O)C(F)CNCCCCCO 31f766f703eed91f112c61a7da57755d [0,1,0,0,0,0|2,0,0]=3 5025 B12R0.251 O=C(O)C(F)CNCCOCCO fea825cb07bb21c42f1c8582f26824cc [0,1,0,0,0,0|3,0,0]=4 5026 B12R0.251 O=C(O)C(F)NCCCOCCO 3e450f996e2b80a45b6fb0c07aa7b14c [0,1,0,0,0,0|3,0,0]=4 5027 B12R0.251 O=C(O)C(O)CCNCCCCF 12dddf8e11dbe9f190b25a9dd07ff5ce [0,1,0,0,0,0|2,0,0]=3 5028 B12R0.251 O=C(O)C(O)CCNCCCCO c2091d2109e6abcc4e90aa0e54be1135 [0,1,0,0,0,0|2,0,0]=3 5029 B12R0.251 O=C(O)C(O)CNCCCCCCl 4b13f31f6dea6dfbcb602c8415ef236e [0,1,0,0,0,0|2,0,0]=3 5030 B12R0.251 O=C(O)C(O)CNCCCCCF c23d9dc4eda70bc9e6e791df66441891 [0,1,0,0,0,0|2,0,0]=3 5031 B12R0.251 O=C(O)C(O)CNCCCCCO 4ed75590e14e9b8a1ff6b54a5e642392 [0,1,0,0,0,0|2,0,0]=3 5032 B12R0.251 O=C(O)C(O)CNCCOCCO 5aee6d29f1acc00f88515d001934d84c [0,1,0,0,0,0|3,0,0]=4 5033 B12R0.251 O=C(O)C(O)CNCCOCCS edcf218debd9ea6a6534bf19fb541ac5 [0,1,0,0,0,0|3,0,0]=4 5034 B12R0.251 O=C(O)C(O)CNCCSCCO 66dca66650374df8ef68838219abb2cc [0,1,0,0,0,0|3,0,0]=4 5035 B12R0.251 O=C(O)C(O)NCCCCCCF 25917f800ea62dcaedaeecbdc4d55cc0 [0,1,0,0,0,0|2,0,0]=3 5036 B12R0.251 O=C(O)C(O)NCCCCCCO 115725ec900b84a4d9ec1085b2a91fc8 [0,1,0,0,0,0|2,0,0]=3 5037 B12R0.251 O=C(O)[C@@H](O)CCNCCCCF 24fc1c4c65b03246e24e4774df91bb04 [0,1,0,0,0,0|2,0,0]=3 5038 B12R0.251 O=C(O)[C@@H](O)CCNCCCCO 9fc11a5eb0d3447b6e7cac0ab0491522 [0,1,0,0,0,0|2,0,0]=3 5039 B12R0.251 O=C(O)[C@@H](O)CNCCCCCCl 4b713099ab9baab908ea1280fb85c957 [0,1,0,0,0,0|2,0,0]=3 5040 B12R0.251 O=C(O)[C@@H](O)CNCCCCCF 43ddf951a1fefa0edddcdd75849ad9be [0,1,0,0,0,0|2,0,0]=3 5041 B12R0.251 O=C(O)[C@@H](O)CNCCCCCO 6eaa9913da8321d47b523832008fe766 [0,1,0,0,0,0|2,0,0]=3 5042 B12R0.251 O=C(O)[C@@H](O)CNCCOCCO dcc11ac271bc0dc4ed4f97d7484abfcc [0,1,0,0,0,0|3,0,0]=4 5043 B12R0.251 O=C(O)[C@@H](O)CNCCOCCS c6e709e635ad8ec30f0b1e792bdac58a [0,1,0,0,0,0|3,0,0]=4 5044 B12R0.251 O=C(O)[C@@H](O)CNCCSCCO d0040cf26b097dbb4f5734390b833cda [0,1,0,0,0,0|3,0,0]=4 5045 B12R0.251 O=C(O)[C@H](F)NCCCOCCO 95b56765ab377c20e7726f8c0d167daf [0,1,0,0,0,0|3,0,0]=4 5046 B12R0.251 O=C(O)[C@H](O)CNCCCCCF e49449b855b1755de0b2c4d4b23581d3 [0,1,0,0,0,0|2,0,0]=3 5047 B12R0.251 O=C(O)[C@H](O)CNCCCCCO e4aa831e59f5508e567f6b020cf991ec [0,1,0,0,0,0|2,0,0]=3 5048 B12R0.251 O=C(O)[C@H](O)CNCCOCCO 20e56d786a8234e449fae4fb4acedb75 [0,1,0,0,0,0|3,0,0]=4 5049 B12R0.251 O=CCCCCCNC(O)C(=O)O d8a5dd7d80163d96522d5dbad25baac5 [0,1,0,0,0,0|2,0,1]=4 5050 B12R0.251 O=CCCCCNCC(F)C(=O)O f4001781a05a15c3137054786111fecc [0,1,0,0,0,0|2,0,1]=4 5051 B12R0.251 O=CCCCCNCC(O)C(=O)O 4c33eb9336e5d3fe7d031132a95d8d32 [0,1,0,0,0,0|2,0,1]=4 5052 B12R0.251 O=CCCCCNC[C@@H](O)C(=O)O 05a20f79a2a72ec2f1c5e6cf94c6c406 [0,1,0,0,0,0|2,0,1]=4 5053 B12R0.251 O=CCCCCNC[C@H](O)C(=O)O 8f8d36c366482b7b757f6a1ac3d974c1 [0,1,0,0,0,0|2,0,1]=4 5054 B12R0.251 O=CCCCNCCC(F)C(=O)O da5f3d78337a3d3ba1c49b15f7f93e40 [0,1,0,0,0,0|2,0,1]=4 5055 B12R0.251 O=CCCCNCCC(O)C(=O)O 4d15a5b69360c50a0928b4350de19c70 [0,1,0,0,0,0|2,0,1]=4 5056 B12R0.251 O=CCCCNCC[C@H](O)C(=O)O 685ca982a319c55152b380485242023e [0,1,0,0,0,0|2,0,1]=4 5057 B12R0.255 C#CCCCCN(C)CCC(=O)O b4759703a4b9c0f30a12d84b82a1d6bc [0,1,0,0,0,0|1,0,2]=4 5058 B12R0.255 C#CCCCNC(C)CCC(=O)O 1f16351915753a5d99f1b4784f2e57e9 [0,1,0,0,0,0|1,0,2]=4 5059 B12R0.255 C#CCCCN[C@@H](C)CCC(=O)O 7c81cd979109bf0b69a0172727aad943 [0,1,0,0,0,0|1,0,2]=4 5060 B12R0.255 C#CCCCOC(C)CCC(=O)O 44e97724cf2aa09a4e9309fcea6f26be [0,1,0,0,0,0|1,0,2]=4 5061 B12R0.255 C/C=C/CCOC(C)CCC(=O)O 583fb33ca6799c94ec044a95c8e24d55 [0,1,0,0,0,0|1,0,2]=4 5062 B12R0.255 C/C=C\CCCN(C)CCC(=O)O e74ad45d511c42d5ce1d2614b006a45e [0,1,0,0,0,0|1,0,2]=4 5063 B12R0.255 C=C(Br)CNC(C)CCCCCC 85e5cd894137e5835288e7ea1c1d86f3 [0,1,0,0,0,0|3,0,0]=4 5064 B12R0.255 C=C(Br)CN[C@@H](C)CCCCCC 67d241c80cec4efac9a73eee8f606999 [0,1,0,0,0,0|3,0,0]=4 5065 B12R0.255 C=C(Br)CN[C@H](C)CCCCCC d2e4fff6d9b33e58452733ae1fd13c1a [0,1,0,0,0,0|3,0,0]=4 5066 B12R0.255 C=C(Br)COC(C)CCCCCC 561eb3079a133e32ba306a26df414f6e [0,1,0,0,0,0|3,0,0]=4 5067 B12R0.255 C=C(Br)CO[C@@H](C)CCCCCC 178c0e0b67505eaac682b1e32bef30b9 [0,1,0,0,0,0|3,0,0]=4 5068 B12R0.255 C=C(Br)CO[C@H](C)CCCCCC 76bfb4564202436ece09b48c905799f3 [0,1,0,0,0,0|3,0,0]=4 5069 B12R0.255 C=C(C)CCN(C)CCCCCC e7077ec24efed7a93623be4650fbd15d [0,1,0,0,0,0|3,0,0]=4 5070 B12R0.255 C=C(C)CNC(C)CCCCCC cc90a95ca839a3702152d9c91e722c58 [0,1,0,0,0,0|3,0,0]=4 5071 B12R0.255 C=C(C)CN[C@@H](C)CCCCCC c524b75adeb25043c038a5ab6ad8e9e1 [0,1,0,0,0,0|3,0,0]=4 5072 B12R0.255 C=C(C)CN[C@H](C)CCCCCC d7682a4a2c698d757c1c08092754f0c7 [0,1,0,0,0,0|3,0,0]=4 5073 B12R0.255 C=C(C)COC(C)CCCCCC f49b5aab41ed12e6fac188243b062752 [0,1,0,0,0,0|3,0,0]=4 5074 B12R0.255 C=C(C)CO[C@@H](C)CCCCCC 2f07db065620fd9e5bd37cfdefb71ba6 [0,1,0,0,0,0|3,0,0]=4 5075 B12R0.255 C=C(C)CO[C@H](C)CCCCCC 9746dba1c428b1a09cc664529ec898b9 [0,1,0,0,0,0|3,0,0]=4 5076 B12R0.255 C=C(Cl)CNC(C)CCCCCC f86189d416d3bab56aed7374b9404ab8 [0,1,0,0,0,0|3,0,0]=4 5077 B12R0.255 C=C(Cl)CN[C@@H](C)CCCCCC 018ed4686590f045dc5dbef11d58a75c [0,1,0,0,0,0|3,0,0]=4 5078 B12R0.255 C=C(Cl)CN[C@H](C)CCCCCC fc89bd72110496c873935dfee39d5591 [0,1,0,0,0,0|3,0,0]=4 5079 B12R0.255 C=C(Cl)COC(C)CCCCCC b0b2debdd7feff36667c3130b6827ba2 [0,1,0,0,0,0|3,0,0]=4 5080 B12R0.255 C=C(Cl)CO[C@@H](C)CCCCCC 008ad4afffcb0987d347db98da422796 [0,1,0,0,0,0|3,0,0]=4 5081 B12R0.255 C=C(Cl)CO[C@H](C)CCCCCC 7ce5b6c485a36755997cf7f5847b8647 [0,1,0,0,0,0|3,0,0]=4 5082 B12R0.255 C=C(I)COC(C)CCCCCC 864cf0afcc40ba623f028ac845176441 [0,1,0,0,0,0|3,0,0]=4 5083 B12R0.255 C=CCCCCC(C)OCC(=O)O 8403925449bae788f741421b999f69e6 [0,1,0,0,0,0|1,0,2]=4 5084 B12R0.255 C=CCCCCN(C)CCC(=O)O 090177db97345636f0adc0ee3294e2fb [0,1,0,0,0,0|1,0,2]=4 5085 B12R0.255 C=CCCCC[C@@H](C)OCC(=O)O 4f8e1345495702c0c017913f7b334c91 [0,1,0,0,0,0|1,0,2]=4 5086 B12R0.255 C=CCCCNC(C)CCC(=O)O c94417adae2776d4148a301aa56d41a8 [0,1,0,0,0,0|1,0,2]=4 5087 B12R0.255 C=CCCCN[C@@H](C)CCC(=O)O 8e610db51b115b45666a6c78c594b9be [0,1,0,0,0,0|1,0,2]=4 5088 B12R0.255 C=CCCCOC(C)CCC(=O)O b67baf89d5b7ab7eed2bec59d6172dd0 [0,1,0,0,0,0|1,0,2]=4 5089 B12R0.255 CC#CCCOC(C)CCC(=O)O edebc7298f3006e1af2ec9b5a9ba741b [0,1,0,0,0,0|1,0,2]=4 5090 B12R0.255 CC(=O)CCN(C)CCCCCO 1458e975cf13c536bc69731cc0357ee2 [0,1,0,0,0,0|3,0,0]=4 5091 B12R0.255 CC(CCC(=O)O)NCCCC#N 7666c51e62ddd7a5d8dc1396d3c70e14 [0,1,0,0,0,0|2,0,1]=4 5092 B12R0.255 CC(CCC(=O)O)NCCCC=O 304c28c4a2aadf3257060c5ad27daf58 [0,1,0,0,0,0|2,0,1]=4 5093 B12R0.255 CC(CCC(=O)O)NCCCCCl 8362b25aa7a2d26ef25bf84874d98d31 [0,1,0,0,0,0|2,0,0]=3 5094 B12R0.255 CC(CCC(=O)O)NCCCCF 6696e88c2b5fac67672736aa56882db8 [0,1,0,0,0,0|2,0,0]=3 5095 B12R0.255 CC(CCC(=O)O)NCCCCO bfde166eb5ffdc0e6566e9ccf149b744 [0,1,0,0,0,0|2,0,0]=3 5096 B12R0.255 CC(CCC(=O)O)NCCCCS 2d289ad84f2a924e20a4dd2cf7c51ee0 [0,1,0,0,0,0|2,0,0]=3 5097 B12R0.255 CC(CCC(=O)O)OCCCC#N 88cbd57954229daa82b71dc7275a6046 [0,1,0,0,0,0|2,0,1]=4 5098 B12R0.255 CC(CCC(=O)O)OCCCC=O 9c253280793bf6a0decd2d98511fa6db [0,1,0,0,0,0|2,0,1]=4 5099 B12R0.255 CC(CCC(=O)O)OCCCCF 5e789bc4ac4935b76ce66c269cf89b0e [0,1,0,0,0,0|2,0,0]=3 5100 B12R0.255 CC(CCC(=O)O)OCCCCS b48556e4f422c6c95b28065b5bb85478 [0,1,0,0,0,0|2,0,0]=3 5101 B12R0.255 CC/C=C/COC(C)CCC(=O)O 5853737fc2a3cd189381586c558d6255 [0,1,0,0,0,0|1,0,2]=4 5102 B12R0.255 CC/C=C\CCN(C)CCC(=O)O 805d27af8b4b068107e4178b92d21a3c [0,1,0,0,0,0|1,0,2]=4 5103 B12R0.255 CC/C=C\COC(C)CCC(=O)O 9af396c86547fbd5d021c720bd8f4e59 [0,1,0,0,0,0|1,0,2]=4 5104 B12R0.255 CCC/C=C/CN(C)CCC(=O)O 3b3ec30e83e5c6357730e1c8a34f9e05 [0,1,0,0,0,0|1,0,2]=4 5105 B12R0.255 CCC/C=C\CN(C)CCC(=O)O 2163f7afaffab8319b8f2331320b888d [0,1,0,0,0,0|1,0,2]=4 5106 B12R0.255 CCCCCCC(=O)NCC(=O)C 66b5691a9bf4e73254f9c1ed646b5502 [0,1,0,0,0,0|2,0,1]=4 5107 B12R0.255 CCCCCCC(=O)NCC(=O)N c28e0f6350ffba98f121e39a5c7db2f0 [0,1,0,0,0,0|2,0,1]=4 5108 B12R0.255 CCCCCCC(C)NCC(=O)C 8373bc57eb888e934ff1a4770be2f031 [0,1,0,0,0,0|2,0,0]=3 5109 B12R0.255 CCCCCCC(C)NCC(=O)N 1ac2ed3e2b5b452dc3bf6b9067e1e562 [0,1,0,0,0,0|2,0,0]=3 5110 B12R0.255 CCCCCCC(C)NCC(=O)O 5b4ef846d71e5227a255848f84ef3adb [0,1,0,0,0,0|1,0,0]=2 5111 B12R0.255 CCCCCCC(C)NCC(C)O 347a56c31b7437f5b3e3dea7c4723f43 [0,1,0,0,0,0|2,0,1]=4 5112 B12R0.255 CCCCCCC(C)NC[C@@H](C)O 867d126176d13fce29b806aa2e8abdc5 [0,1,0,0,0,0|2,0,1]=4 5113 B12R0.255 CCCCCCC(C)NC[C@H](C)O 1847295b6f7a678418149b280061eb72 [0,1,0,0,0,0|2,0,1]=4 5114 B12R0.255 CCCCCCC(C)NC[N+](=O)[O-] bc50038769c319b4f1b6c8b7eea5ced6 [0,1,0,0,0,0|2,0,1]=4 5115 B12R0.255 CCCCCCC(C)OCC(=O)C b3baaea0fb3783bcad6572d0d40ddc26 [0,1,0,0,0,0|2,0,0]=3 5116 B12R0.255 CCCCCCC(C)OCC(=O)N a86f7680ffa7349546a3b07d5eda903e [0,1,0,0,0,0|2,0,0]=3 5117 B12R0.255 CCCCCCC(C)OCC(=O)O bf6da62cb517a7400bc7e361626de98d [0,1,0,0,0,0|1,0,0]=2 5118 B12R0.255 CCCCCCC(C)OC[N+](=O)[O-] 06d5df1371c8c782df92c08de83283e3 [0,1,0,0,0,0|2,0,1]=4 5119 B12R0.255 CCCCCCN(C)CCC(=O)C 77c0a1221183fa40cb1ace6a9be6ca61 [0,1,0,0,0,0|2,0,0]=3 5120 B12R0.255 CCCCCCN(C)CCC(=O)N ef8a99b35b61847fe7a7f118519150eb [0,1,0,0,0,0|2,0,0]=3 5121 B12R0.255 CCCCCCN(C)CCC(=O)O 3ee6fb03f9f9bf3501eecfc92744a975 [0,1,0,0,0,0|1,0,0]=2 5122 B12R0.255 CCCCCCN(C)CCC(C)O 0d9933581c2a7ffc5c33050c61f3a297 [0,1,0,0,0,0|2,0,1]=4 5123 B12R0.255 CCCCCCN(C)CCS(=O)C 528aaaaca54fd5d1c70a0ed646ccb6df [0,1,0,0,0,0|3,0,0]=4 5124 B12R0.255 CCCCCCN(C)COC(=O)C 0ba50fe38bc92da5e91a2d89a0d22f76 [0,1,0,0,0,0|3,0,0]=4 5125 B12R0.255 CCCCCCN(C)CSC(=O)N 055e961b9157286ab776c2a73b61a85c [0,1,0,0,0,0|3,0,0]=4 5126 B12R0.255 CCCCCC[C@@H](C)NCC(=O)N c87620bfd8ae046f03a0f72e3c4219d7 [0,1,0,0,0,0|2,0,0]=3 5127 B12R0.255 CCCCCC[C@@H](C)NCC(=O)O b4d3a1ddcb935fb82355d0e55f57b6c5 [0,1,0,0,0,0|1,0,0]=2 5128 B12R0.255 CCCCCC[C@@H](C)NCC(C)O 8257cca5945f28715814c07712bb7a60 [0,1,0,0,0,0|2,0,1]=4 5129 B12R0.255 CCCCCC[C@@H](C)NC[C@@H](C)O efb919a1e9cf05edefbc65a84f410a09 [0,1,0,0,0,0|2,0,1]=4 5130 B12R0.255 CCCCCC[C@@H](C)NC[C@H](C)O 4b471bf22338ae86de450474855b7a7f [0,1,0,0,0,0|2,0,1]=4 5131 B12R0.255 CCCCCC[C@@H](C)NC[N+](=O)[O-] b3015675c11662b0e5b2dbeda5da3511 [0,1,0,0,0,0|2,0,1]=4 5132 B12R0.255 CCCCCC[C@@H](C)OCC(=O)N 583231045a65372222361cef47970a12 [0,1,0,0,0,0|2,0,0]=3 5133 B12R0.255 CCCCCC[C@@H](C)OCC(=O)O 6a2cc292694e77902215affab05046db [0,1,0,0,0,0|1,0,0]=2 5134 B12R0.255 CCCCCC[C@@H](C)OC[N+](=O)[O-] fe2499ee42f0ab275e1969d08cf800b3 [0,1,0,0,0,0|2,0,1]=4 5135 B12R0.255 CCCCCC[C@H](C)NCC(=O)N dc3d925619eb4c5e9e6b0fa53cc1a98b [0,1,0,0,0,0|2,0,0]=3 5136 B12R0.255 CCCCCC[C@H](C)NCC(=O)O 2edf41aded485414f03bcf3127daaac2 [0,1,0,0,0,0|1,0,0]=2 5137 B12R0.255 CCCCCC[C@H](C)NCC(C)O d6a6009f69d44dbc296587ae911a3cd3 [0,1,0,0,0,0|2,0,1]=4 5138 B12R0.255 CCCCCC[C@H](C)NC[C@@H](C)O 19167f9af1dc89d804c356a4292943f2 [0,1,0,0,0,0|2,0,1]=4 5139 B12R0.255 CCCCCC[C@H](C)NC[C@H](C)O 86348e1d874cecd59980df94092878ef [0,1,0,0,0,0|2,0,1]=4 5140 B12R0.255 CCCCCC[C@H](C)NC[N+](=O)[O-] 445a8c7a8bd465a5e3e85040c167d299 [0,1,0,0,0,0|2,0,1]=4 5141 B12R0.255 CCCCCC[C@H](C)OCC(=O)N aab385a642625d73d6dcd99846660ae1 [0,1,0,0,0,0|2,0,0]=3 5142 B12R0.255 CCCCCC[C@H](C)OCC(=O)O a23bbfbc06cec00fc6872e21388755e1 [0,1,0,0,0,0|1,0,0]=2 5143 B12R0.255 CCCCCC[C@H](C)OC[N+](=O)[O-] 3ebf76cd474a7bd4be89039d44c1ed7f [0,1,0,0,0,0|2,0,1]=4 5144 B12R0.255 CCCCCNC(=O)CCC(=O)C ae21b9b863047306be7a4865d5b704f2 [0,1,0,0,0,0|2,0,1]=4 5145 B12R0.255 CCCCCNC(=O)CCC(=O)N 43037e3ccc24b5037aeea792600b9be3 [0,1,0,0,0,0|2,0,1]=4 5146 B12R0.255 CCCCCNC(=O)NCC(=O)O 17a0fa1e7118ad81f7b64d587c720f3e [0,1,0,0,0,0|2,0,1]=4 5147 B12R0.255 CCCCCNC(=S)NCC(=O)O a525b079f0981706858f45bc8da8c60d [0,1,0,0,0,0|2,0,1]=4 5148 B12R0.255 CCCCCNC(C)CCC(=O)O 730b0df9d7fa73e87407a0302aed1146 [0,1,0,0,0,0|1,0,0]=2 5149 B12R0.255 CCCCCN[C@@H](C)CCC(=O)O 4387733a443a9a8b950031c87b714308 [0,1,0,0,0,0|1,0,0]=2 5150 B12R0.255 CCCCCOC(C)CCC(=O)O 77363f5fe2bc3f8f43385acd048d6314 [0,1,0,0,0,0|1,0,0]=2 5151 B12R0.255 CCCCCOC(C)CNC(=O)C 2ab79a33750e91dd225f762e007ee92e [0,1,0,0,0,0|3,0,0]=4 5152 B12R0.255 CCCCCOC(C)COC(=O)C 89e756b8d3c8084f728892c0ab746911 [0,1,0,0,0,0|3,0,0]=4 5153 B12R0.255 CCCCNCC(=O)CCC(=O)O 5a15690a0089720a8446c863784b18af [0,1,0,0,0,0|1,0,1]=3 5154 B12R0.255 CCCCNCC(=O)NCC(=O)O fa3ad82f70d50dc3386a384e3b7276b3 [0,1,0,0,0,0|2,0,1]=4 5155 B12R0.255 CCCCNCC(C)COC(=O)C 70405e5ba6cb301cd01774eb26b11f14 [0,1,0,0,0,0|3,0,0]=4 5156 B12R0.255 CCCCNCC(O)COC(=O)C 7586dc7d5817c9b61d1fb56a35bc220f [0,1,0,0,0,0|3,0,0]=4 5157 B12R0.255 CCCCOCC(=O)CCC(=O)O 91360323003909faef231d94841ad9a7 [0,1,0,0,0,0|1,0,1]=3 5158 B12R0.255 CCCCOCC(=O)NCC(=O)O e18d462201bc4004e6d9784269ec241b [0,1,0,0,0,0|2,0,1]=4 5159 B12R0.255 CCCCOCC(C)COC(=O)C 249bfaed0f9206afe745f3ce0efc58a8 [0,1,0,0,0,0|3,0,0]=4 5160 B12R0.255 CCCCOCC(C)OCC(=O)N 9472096b60a705d3f04f1e88215eadf4 [0,1,0,0,0,0|3,0,0]=4 5161 B12R0.255 CCCCOCC(C)OCC(=O)O 4bf90fab9b6aa755bce9980471cae6cf [0,1,0,0,0,0|2,0,0]=3 5162 B12R0.255 CCCCOCN(C)CCC(=O)N b40172159e55353f60d7fe020aa7e92d [0,1,0,0,0,0|3,0,0]=4 5163 B12R0.255 CCCCOCN(C)CCC(=O)O 705b32b1499d4e92eb7a5ee9860f2953 [0,1,0,0,0,0|2,0,0]=3 5164 B12R0.255 CCCCOC[C@@H](C)COC(=O)C 009cb6250b97e41369ee33e09f892490 [0,1,0,0,0,0|3,0,0]=4 5165 B12R0.255 CCCNCCN(C)CCC(=O)O e62c17b37bd90b8e38bef3bf37e22452 [0,1,0,0,0,0|2,0,0]=3 5166 B12R0.255 CCCOCCN(C)CCC(=O)N 6a5234b35b250aa3d73266e35e6092cb [0,1,0,0,0,0|3,0,0]=4 5167 B12R0.255 CCCOCCN(C)CCC(=O)O c3c367fc824ca30f2d0ceae5f9ff15a4 [0,1,0,0,0,0|2,0,0]=3 5168 B12R0.255 CCOCCCN(C)CCC(=O)N d15899df8e017b8298a3a707814c2979 [0,1,0,0,0,0|3,0,0]=4 5169 B12R0.255 CCOCCCN(C)CCC(=O)O e62b31af4d941e7bfc0dfd760a684854 [0,1,0,0,0,0|2,0,0]=3 5170 B12R0.255 CCOCCNC(=O)CCC(=O)O 76a8cafb80c20172113967458f27980c [0,1,0,0,0,0|2,0,1]=4 5171 B12R0.255 CCOCCNC(C)CCC(=O)O a60598688dc5f491b664295dee837c9d [0,1,0,0,0,0|2,0,0]=3 5172 B12R0.255 CCOCCN[C@@H](C)CCC(=O)O 599d659724176d2ae897b974a3ff260e [0,1,0,0,0,0|2,0,0]=3 5173 B12R0.255 CCOCCOC(C)CCC(=O)O 65259e6e119544693bca7289c18435f2 [0,1,0,0,0,0|2,0,0]=3 5174 B12R0.255 CCOCNCC(=O)CCC(=O)O 0b7f2f34428967e11bd7b04e611383a1 [0,1,0,0,0,0|2,0,1]=4 5175 B12R0.255 CCSCCCN(C)CCC(=O)N 38f49047dc7fc869062b9058fec9c9bb [0,1,0,0,0,0|3,0,0]=4 5176 B12R0.255 CCSCCCN(C)CCC(=O)O fa887ba065e645e5b48be485ac5e3b86 [0,1,0,0,0,0|2,0,0]=3 5177 B12R0.255 CCSCCNC(C)CCC(=O)O 4e803b4ea039c8d2b88a3c75fdd36d89 [0,1,0,0,0,0|2,0,0]=3 5178 B12R0.255 CCSCCOC(C)CCC(=O)O e025cf5f1fa8a85658ad34ef442d5227 [0,1,0,0,0,0|2,0,0]=3 5179 B12R0.255 CN(CCCCC#N)CCC(=O)O c53bcae197235fe89e03aeae3b9ae676 [0,1,0,0,0,0|2,0,1]=4 5180 B12R0.255 CN(CCCCC=O)CCC(=O)O a01bf3ff3d46dd1bdf585c39e8240750 [0,1,0,0,0,0|2,0,1]=4 5181 B12R0.255 CN(CCCCCF)CCC(=O)N c29378b19e92400080fe5fb48b5583aa [0,1,0,0,0,0|3,0,0]=4 5182 B12R0.255 CN(CCCCCF)CCC(=O)O c0ab8e5243f2bcacc539fbe3270e59cc [0,1,0,0,0,0|2,0,0]=3 5183 B12R0.255 CN(CCCCCO)CCC(=O)N a68e2103fb3d68ad2c4e1e0c1851d5e3 [0,1,0,0,0,0|3,0,0]=4 5184 B12R0.255 CN(CCCCCO)CCC(=O)O baa7928292ea2aba1f28c81664cc3d03 [0,1,0,0,0,0|2,0,0]=3 5185 B12R0.255 CN(CCCCON)CCC(=O)O 30ef8a0f431c62a6a3fdcd693486f693 [0,1,0,0,0,0|3,0,0]=4 5186 B12R0.255 CN(CCNCCF)CCC(=O)O a575cde53545bc996439aab0bf65e176 [0,1,0,0,0,0|3,0,0]=4 5187 B12R0.255 CN(CCNCCO)CCC(=O)O 8d86c033cca8b211c1548c05369e1fe4 [0,1,0,0,0,0|3,0,0]=4 5188 B12R0.255 CN(CCNCCS)CCC(=O)O 42fdba2a70f33c551c505ae5b212b6c2 [0,1,0,0,0,0|3,0,0]=4 5189 B12R0.255 CN(CCOCCF)CCC(=O)O af7da3ec6b887c44092ae3e71126ec8f [0,1,0,0,0,0|3,0,0]=4 5190 B12R0.255 CN(CCOCCO)CCC(=O)O 3f45384ea347cbf4322fd87ba61a3a6a [0,1,0,0,0,0|3,0,0]=4 5191 B12R0.255 CN(CCOCCS)CCC(=O)O 5fd4452c51be3ea04158ccbc28b71dd7 [0,1,0,0,0,0|3,0,0]=4 5192 B12R0.255 COCCCCN(C)CCC(=O)C 3f0f7730b575cd096e1013484764717b [0,1,0,0,0,0|3,0,0]=4 5193 B12R0.255 COCCCCN(C)CCC(=O)N d5d783cc7cd3bfa9b838fd52008ead73 [0,1,0,0,0,0|3,0,0]=4 5194 B12R0.255 COCCCCN(C)CCC(=O)O dd82c66fc6f7856235e8d4212ef8efaf [0,1,0,0,0,0|2,0,0]=3 5195 B12R0.255 COCCCNC(C)CCC(=O)O 708c88b90a042ff70139da63494a83c1 [0,1,0,0,0,0|2,0,0]=3 5196 B12R0.255 COCCCN[C@@H](C)CCC(=O)O d12c244e070381e4c83c032e74ae4dfb [0,1,0,0,0,0|2,0,0]=3 5197 B12R0.255 COCCCOC(C)CCC(=O)O 4c45646b9131c617172a2ede7a1ba834 [0,1,0,0,0,0|2,0,0]=3 5198 B12R0.255 COCCNCC(=O)CCC(=O)O 45cff8e763b7549fd62d592b1d545734 [0,1,0,0,0,0|2,0,1]=4 5199 B12R0.255 COCCOCC(=O)CCC(=O)O 4557a8bac4c2c097af372e4a8dcbc504 [0,1,0,0,0,0|2,0,1]=4 5200 B12R0.255 COCCOCN(C)CCC(=O)O ce1b582d12e4f6cc2bd5850bbbffb710 [0,1,0,0,0,0|3,0,0]=4 5201 B12R0.255 COCNCCN(C)CCC(=O)O f0d3ecc2d513ec6a1295c4637d381d70 [0,1,0,0,0,0|3,0,0]=4 5202 B12R0.255 COCOCCN(C)CCC(=O)O a8e037465df2458093497d9938d55274 [0,1,0,0,0,0|3,0,0]=4 5203 B12R0.255 CSCCCNC(C)CCC(=O)O 1b3519ede145d3ee6da9285130d9f6bc [0,1,0,0,0,0|2,0,0]=3 5204 B12R0.255 CSCCCN[C@@H](C)CCC(=O)O d72653a7b39cd406ee3d078540baa443 [0,1,0,0,0,0|2,0,0]=3 5205 B12R0.255 CSCCCOC(C)CCC(=O)O 0ad049a2ce7d414d9e6912492a9c47c8 [0,1,0,0,0,0|2,0,0]=3 5206 B12R0.255 CSCCNCC(=O)CCC(=O)O c99636dbf01cac82908927a64f7036d1 [0,1,0,0,0,0|2,0,1]=4 5207 B12R0.255 CSCCOCC(=O)CCC(=O)O 972a5f47e65e7eb884f3777f10b00470 [0,1,0,0,0,0|2,0,1]=4 5208 B12R0.255 CSCNCCN(C)CCC(=O)O 8e4fa2961206d2c52bc543cbaae8221a [0,1,0,0,0,0|3,0,0]=4 5209 B12R0.255 CSCOCCN(C)CCC(=O)O 7795948e6e7b067ec6691d29f9f68cb7 [0,1,0,0,0,0|3,0,0]=4 5210 B12R0.255 C[C@@H](CCC(=O)O)NCCCC#N 1b6cd99121833d96ef2ecb624c5597cc [0,1,0,0,0,0|2,0,1]=4 5211 B12R0.255 C[C@@H](CCC(=O)O)NCCCC=O c9dcb400a5c87efc0368b828f8b3f01a [0,1,0,0,0,0|2,0,1]=4 5212 B12R0.255 C[C@@H](CCC(=O)O)NCCCCF 60afe827768ca21eb64dbc6b6dcd392c [0,1,0,0,0,0|2,0,0]=3 5213 B12R0.255 C[C@@H](CCC(=O)O)NCCCCO 60650f65146ffcf3f96696a2c249cc9a [0,1,0,0,0,0|2,0,0]=3 5214 B12R0.255 O=C(O)CCC(=O)CNCCCCl 4d16232e5e802c7cd0d53480b1b75b80 [0,1,0,0,0,0|2,0,1]=4 5215 B12R0.255 O=C(O)CCC(=O)CNCCCF c5ea9d7fab5de13535c68d1f152865a3 [0,1,0,0,0,0|2,0,1]=4 5216 B12R0.255 O=C(O)CCC(=O)CNCCCO 144af790d7772b189984de4604edb462 [0,1,0,0,0,0|2,0,1]=4 5217 B12R0.255 O=C(O)CCC(=O)COCCCF c4b3439800f9207c16aa069fe091bf7b [0,1,0,0,0,0|2,0,1]=4 5218 B12R0.268 C/C(=C/CNCCCCC(=O)O)/I 085f063aec8f0ab2292bbff17e89021a [0,1,0,0,0,0|1,0,2]=4 5219 B12R0.268 C/C(=C/COCCCCC(=O)O)/Cl c4e07a9f2a2d77c4f45bb35dad302af5 [0,1,0,0,0,0|1,0,2]=4 5220 B12R0.268 C/C(=C/COCCCCC(=O)O)/I 8270b90ea747ec00d65dc8c712db44d0 [0,1,0,0,0,0|1,0,2]=4 5221 B12R0.268 C/C(=C\CNCCCCC(=O)O)/Cl fe3e6575525812c9ab43db8ed7aa3cdd [0,1,0,0,0,0|1,0,2]=4 5222 B12R0.268 C/C(=C\COCCCCC(=O)O)/Cl 6a7309f25c73d84ee12f459f03cf1ea7 [0,1,0,0,0,0|1,0,2]=4 5223 B12R0.268 C=C(Br)CCOCCCCC(=O)O cf03396004fb5bc72892fc004be3f4c7 [0,1,0,0,0,0|1,0,2]=4 5224 B12R0.268 C=C(Br)CCOCCCCC(C)C 4350922c2607a7c4c5e3da985f4dd0b0 [0,1,0,0,0,0|3,0,0]=4 5225 B12R0.268 C=C(Br)CNCCCCCC(=O)O 86117f9ab9f0e670d80bfaf56b65a3fe [0,1,0,0,0,0|1,0,2]=4 5226 B12R0.268 C=C(Br)CNCCCCCC(C)C 7cf53a21e6c3c77614885b99a44ff00c [0,1,0,0,0,0|3,0,0]=4 5227 B12R0.268 C=C(Br)COCCCCCC(=O)O c5f8762d43315e68a8f53f33e3e4f1a8 [0,1,0,0,0,0|1,0,2]=4 5228 B12R0.268 C=C(Br)COCCCCCC(C)C 8801d1a3480e8f251e0ffc6db7b5c5ab [0,1,0,0,0,0|3,0,0]=4 5229 B12R0.268 C=C(C)CCCNCCCC(=O)N 0debbc82a2ac07d7e5dcfd8071d0112b [0,1,0,0,0,0|2,0,1]=4 5230 B12R0.268 C=C(C)CCCNCCCC(=O)O 401133199570d86083fb69d9e07e5dd9 [0,1,0,0,0,0|1,0,1]=3 5231 B12R0.268 C=C(C)CCCNCCCC(C)C 7205c3eec3ac6669aa8e936057ad058a [0,1,0,0,0,0|3,0,0]=4 5232 B12R0.268 C=C(C)CCCOCCCC(=O)C 85ea5be5ec91ca989912fb41e7956f52 [0,1,0,0,0,0|2,0,1]=4 5233 B12R0.268 C=C(C)CCCOCCCC(=O)N d7248e194b8ad02a6d4542e070a59170 [0,1,0,0,0,0|2,0,1]=4 5234 B12R0.268 C=C(C)CCCOCCCC(C)C e1f5e4ccfd5037c45bc6da56e89c26a6 [0,1,0,0,0,0|3,0,0]=4 5235 B12R0.268 C=C(C)CCNCCCCC(=O)C 8af745a49dd37a92c4f6497d22dd9a1f [0,1,0,0,0,0|2,0,1]=4 5236 B12R0.268 C=C(C)CCNCCCCC(=O)N 27eb15bf662185302a527329f2ea8d21 [0,1,0,0,0,0|2,0,1]=4 5237 B12R0.268 C=C(C)CCNCCCCC(=O)O 7ded057362cee7b4f78cc561b97a4aec [0,1,0,0,0,0|1,0,1]=3 5238 B12R0.268 C=C(C)CCNCCCCC(C)C 89fdfde8f9e4135f25dcc5df74262a03 [0,1,0,0,0,0|3,0,0]=4 5239 B12R0.268 C=C(C)CCNCCCCC(C)O 531e7b52746a3942d918f35b54324792 [0,1,0,0,0,0|3,0,0]=4 5240 B12R0.268 C=C(C)CCNCCCC[C@@H](C)O 0f2a127206a37e34a5aa866065108ee5 [0,1,0,0,0,0|3,0,0]=4 5241 B12R0.268 C=C(C)CCNCCOCC(=O)O 909ddef4b6931e20c6c12a66fff401ab [0,1,0,0,0,0|2,0,1]=4 5242 B12R0.268 C=C(C)CCNCCSCC(=O)O 864bff8cfb18aa35852b3efc5ef37eb4 [0,1,0,0,0,0|2,0,1]=4 5243 B12R0.268 C=C(C)CCOCCCCC(=O)C 79eda8867f357751aa92b507ca39a5c3 [0,1,0,0,0,0|2,0,1]=4 5244 B12R0.268 C=C(C)CCOCCCCC(=O)N 81042b9a43e9dc377f3a6a80ee6f4791 [0,1,0,0,0,0|2,0,1]=4 5245 B12R0.268 C=C(C)CCOCCCCC(=O)O cc56ac07909f798a1d3153e10840b4a9 [0,1,0,0,0,0|1,0,1]=3 5246 B12R0.268 C=C(C)CCOCCCCC(C)C c4303f7491f0acd639e37ea6f5102ffe [0,1,0,0,0,0|3,0,0]=4 5247 B12R0.268 C=C(C)CCOCCOCC(=O)O ac3ef9d99e11997edeede95591b94174 [0,1,0,0,0,0|2,0,1]=4 5248 B12R0.268 C=C(C)CNCCCCCC(=O)C 3574e0f4992fa12bc78d4dc048562256 [0,1,0,0,0,0|2,0,1]=4 5249 B12R0.268 C=C(C)CNCCCCCC(=O)N ceaaa1663f7fc7f5e4e1efcf7fc0a1de [0,1,0,0,0,0|2,0,1]=4 5250 B12R0.268 C=C(C)CNCCCCCC(=O)O 7a418fd2fddc505cf63d93d5fba69484 [0,1,0,0,0,0|1,0,1]=3 5251 B12R0.268 C=C(C)CNCCCCCC(C)C c712a2403ae28e028ffb29681ac896b4 [0,1,0,0,0,0|3,0,0]=4 5252 B12R0.268 C=C(C)CNCCCOCC(=O)O 01e060a807fe27f54bc132c29d92b5a7 [0,1,0,0,0,0|2,0,1]=4 5253 B12R0.268 C=C(C)CNCCOCCC(=O)O 42cf4cefd9cad53655e2a6e1bbb93651 [0,1,0,0,0,0|2,0,1]=4 5254 B12R0.268 C=C(C)COCCCCCC(=O)C 9e1924a2cd96a45e4a064245b4115c78 [0,1,0,0,0,0|2,0,1]=4 5255 B12R0.268 C=C(C)COCCCCCC(=O)N 942e71901df205e9398d4cfca28e6d10 [0,1,0,0,0,0|2,0,1]=4 5256 B12R0.268 C=C(C)COCCCCCC(=O)O d4fb1ea6b17e80fa648e5f43ad7e3145 [0,1,0,0,0,0|1,0,1]=3 5257 B12R0.268 C=C(C)COCCCCCC(C)C 2cfcce33d485c4231a3a2c67fe84fb47 [0,1,0,0,0,0|3,0,0]=4 5258 B12R0.268 C=C(C)COCCCOCC(=O)O 9156e1a9c641b3fd4b25baec6dd74490 [0,1,0,0,0,0|2,0,1]=4 5259 B12R0.268 C=C(C)COCCOCCC(=O)O 94b177696a6318b5ddc52f85b926c72b [0,1,0,0,0,0|2,0,1]=4 5260 B12R0.268 C=C(Cl)CNCCCCCC(=O)O a639cb8d0c25a313f5bc613139d0fbdf [0,1,0,0,0,0|1,0,2]=4 5261 B12R0.268 C=C(Cl)CNCCCCCC(C)C 587a45b24a739d4ce9e4feca08ed8b71 [0,1,0,0,0,0|3,0,0]=4 5262 B12R0.268 C=C(Cl)COCCCCCC(=O)O 67e6cd941145f50aa8d802c8b2ff77dc [0,1,0,0,0,0|1,0,2]=4 5263 B12R0.268 C=C(Cl)COCCCCCC(C)C 852515125ca2ee658a1d23f0f0235bc6 [0,1,0,0,0,0|3,0,0]=4 5264 B12R0.268 C=C(F)CNCCCCCC(=O)O 8e7fc7d4b36885a3dd8eb1ab87bef755 [0,1,0,0,0,0|1,0,2]=4 5265 B12R0.268 C=C(F)CNCCCCCC(C)C bbf46bde13c6db58dc09e4eb9654e280 [0,1,0,0,0,0|3,0,0]=4 5266 B12R0.268 C=C(F)COCCCCCC(=O)O 64593c933100ae0cd7b2adf71ccfb43e [0,1,0,0,0,0|1,0,2]=4 5267 B12R0.268 C=C(F)COCCCCCC(C)C 62d84a21a5305ad717bd9ed7a07c9758 [0,1,0,0,0,0|3,0,0]=4 5268 B12R0.268 C=C(I)COCCCCCC(C)C 0cf3d4b1a43223c562a0f5f700bd9728 [0,1,0,0,0,0|3,0,0]=4 5269 B12R0.268 CC(=CCCNCCCC(=O)O)C 398d584b6eae4558dc649076cd6f418a [0,1,0,0,0,0|1,0,2]=4 5270 B12R0.268 CC(=CCNCCCCC(=O)O)C cb3cff8e59e06de1e3564e84bedaadc8 [0,1,0,0,0,0|1,0,2]=4 5271 B12R0.268 CC(=CCNCCCCC(=O)O)Cl c5e2c976e20477af98a2d2e9fa0b6799 [0,1,0,0,0,0|1,0,2]=4 5272 B12R0.268 CC(=CCNCCCCC(=O)O)I b4e9778bcdb74302e457f6d9eb0067be [0,1,0,0,0,0|1,0,2]=4 5273 B12R0.268 CC(=CCOCCCCC(=O)O)C 3759a97d6f78b9d66968b322d015e287 [0,1,0,0,0,0|1,0,2]=4 5274 B12R0.268 CC(=CCOCCCCC(=O)O)Cl 67f41ade16780a27b5099132bd954034 [0,1,0,0,0,0|1,0,2]=4 5275 B12R0.268 CC(=CCOCCCCC(=O)O)I 3496177db22dd77104e60d240f0117b3 [0,1,0,0,0,0|1,0,2]=4 5276 B12R0.268 CC(=O)CCCCCNCC(=O)C 9df827ef1c84d1233cb267dc17f17f1d [0,1,0,0,0,0|2,0,1]=4 5277 B12R0.268 CC(=O)CCCCCNCC(=O)N a1a508c702701485acdfec6566b9cc16 [0,1,0,0,0,0|2,0,1]=4 5278 B12R0.268 CC(=O)CCCCCNCC(=O)O 9a0ebb4b63cd453453f7b519e9658694 [0,1,0,0,0,0|1,0,1]=3 5279 B12R0.268 CC(=O)CCCCCNCC(C)C b3d3e3fd1d8fd027f6c6c8a468bb6421 [0,1,0,0,0,0|2,0,0]=3 5280 B12R0.268 CC(=O)CCCCCNCC(C)O 51c09229f7d57d24a24952c0933c8bcb [0,1,0,0,0,0|2,0,0]=3 5281 B12R0.268 CC(=O)CCCCCNCC(F)F 9791a0810b62709799c5da48b1ac6208 [0,1,0,0,0,0|3,0,0]=4 5282 B12R0.268 CC(=O)CCCCCNC[C@@H](C)O 975488390d3ba6ee961bc652b36ce35c [0,1,0,0,0,0|2,0,0]=3 5283 B12R0.268 CC(=O)CCCCCNC[C@H](C)O cc55bcd80a13d5b36fad8ce8f47a4694 [0,1,0,0,0,0|2,0,0]=3 5284 B12R0.268 CC(=O)CCCCCOCC(=O)C 6c9bee9c3d8efbbaf77cf8e6ab4f7ccb [0,1,0,0,0,0|2,0,1]=4 5285 B12R0.268 CC(=O)CCCCCOCC(=O)N dff75d42fb9b071a8653809e27da008b [0,1,0,0,0,0|2,0,1]=4 5286 B12R0.268 CC(=O)CCCCCOCC(=O)O 381cf657d4aa7350e8475745af444e27 [0,1,0,0,0,0|1,0,1]=3 5287 B12R0.268 CC(=O)CCCCCOCC(C)C fd01073020830e855e3fa8713a6489cb [0,1,0,0,0,0|2,0,0]=3 5288 B12R0.268 CC(=O)CCCCCOCC(C)F 9516cb1a86b2391df719fdeabc9bebad [0,1,0,0,0,0|2,0,0]=3 5289 B12R0.268 CC(=O)CCCCCOCC(C)S d93845de3d4512445ec3c1c86a0098dd [0,1,0,0,0,0|2,0,0]=3 5290 B12R0.268 CC(=O)CCCCCOCC(F)F 1f9c5f254d4d92b98ae2b069ea50ef12 [0,1,0,0,0,0|3,0,0]=4 5291 B12R0.268 CC(=O)CCCCCOCS(=O)O 72b51b0ecb559757a7c05d0c6c36ad6a [0,1,0,0,0,0|2,0,1]=4 5292 B12R0.268 CC(=O)CCCCCOC[C@@H](C)F dfe831dd075ef35fb238b09d24944518 [0,1,0,0,0,0|2,0,0]=3 5293 B12R0.268 CC(=O)CCCCCOC[C@H](C)F f48758efd7e77081c6cae4273062d2e1 [0,1,0,0,0,0|2,0,0]=3 5294 B12R0.268 CC(=O)CCCCNCCC(=O)N b0003e2e23d2acd7cab4877fdff53020 [0,1,0,0,0,0|2,0,1]=4 5295 B12R0.268 CC(=O)CCCCNCCC(=O)O d81df5288f44dcee44add9323f82b9fe [0,1,0,0,0,0|1,0,1]=3 5296 B12R0.268 CC(=O)CCCCNCCC(C)C 79db3092d6102a59e6a4729bee230e1f [0,1,0,0,0,0|2,0,0]=3 5297 B12R0.268 CC(=O)CCCCNCCC(C)O 0a79b3008577d0999b6f6e062f397ebc [0,1,0,0,0,0|2,0,0]=3 5298 B12R0.268 CC(=O)CCCCNCCC(F)F b1f1b786c40a51f9280d3fabfcdae889 [0,1,0,0,0,0|3,0,0]=4 5299 B12R0.268 CC(=O)CCCCNCCN(C)C dd6e24cf9a571eb125ad4156fd6a297c [0,1,0,0,0,0|3,0,0]=4 5300 B12R0.268 CC(=O)CCCCNCCS(=O)C bd364070e5a5c03623ccb2cbbb0a2a41 [0,1,0,0,0,0|3,0,0]=4 5301 B12R0.268 CC(=O)CCCCNCCS(=O)O 183ac675a5e1066707ef94bc60239d9b [0,1,0,0,0,0|2,0,1]=4 5302 B12R0.268 CC(=O)CCCCNCC[C@@H](C)O e5f4e5452e1975ea0e77eeb5c3654c14 [0,1,0,0,0,0|2,0,0]=3 5303 B12R0.268 CC(=O)CCCCNCC[C@H](C)O cc290693299e5d865b9c9a6a3efa6aec [0,1,0,0,0,0|2,0,0]=3 5304 B12R0.268 CC(=O)CCCCOCCC(=O)C 9e37a90c6100cf1efa019280a51a34d3 [0,1,0,0,0,0|2,0,1]=4 5305 B12R0.268 CC(=O)CCCCOCCC(=O)N 610c2a750a3a5fef70d643f57ae70c4d [0,1,0,0,0,0|2,0,1]=4 5306 B12R0.268 CC(=O)CCCCOCCC(=O)O 127094051a9d61c711b08390002b38e2 [0,1,0,0,0,0|1,0,1]=3 5307 B12R0.268 CC(=O)CCCCOCCC(C)C 541dc39bd2527116e2568a911c050439 [0,1,0,0,0,0|2,0,0]=3 5308 B12R0.268 CC(=O)CCCCOCCC(F)F b9250f6a3748805f3899e92cc569fd78 [0,1,0,0,0,0|3,0,0]=4 5309 B12R0.268 CC(=O)CCCCOCCN(C)C 65134fe429ea0efcabb9acf29efd16ad [0,1,0,0,0,0|3,0,0]=4 5310 B12R0.268 CC(=O)CCCCOCCS(=O)C e20f4ff139edf17d60235ee62e950480 [0,1,0,0,0,0|3,0,0]=4 5311 B12R0.268 CC(=O)CCCCOCOC(C)C b6e4fd4f53e6aee2ece8c89fd4ea9225 [0,1,0,0,0,0|3,0,0]=4 5312 B12R0.268 CC(=O)CCCNCCCC(=O)N eb4bf25fda6b6a11099e82f764dab61a [0,1,0,0,0,0|2,0,1]=4 5313 B12R0.268 CC(=O)CCCNCCCC(=O)O e96791c248b5ecbf24c23e19166f2d39 [0,1,0,0,0,0|1,0,1]=3 5314 B12R0.268 CC(=O)CCCNCCCC(C)C be90f6bb1d7b250c8650cae70348773a [0,1,0,0,0,0|2,0,0]=3 5315 B12R0.268 CC(=O)CCCNCCCN(C)C 9f15ef5d3f85251fe546519670b1b645 [0,1,0,0,0,0|3,0,0]=4 5316 B12R0.268 CC(=O)CCCNCCCS(=O)C b1cb47170552dbc3a2464995578a5e88 [0,1,0,0,0,0|3,0,0]=4 5317 B12R0.268 CC(=O)CCCNCCOC(C)C 74298cab3066c86edcf0e4a02d8e6dfa [0,1,0,0,0,0|3,0,0]=4 5318 B12R0.268 CC(=O)CCCOCCCC(=O)C d9cc4712522fc03f3dd588a11965b773 [0,1,0,0,0,0|2,0,1]=4 5319 B12R0.268 CC(=O)CCCOCCCC(=O)N 4c2f0798340a7ce30e403d7e9d4fa237 [0,1,0,0,0,0|2,0,1]=4 5320 B12R0.268 CC(=O)CCCOCCCC(C)C c52f2cbfa9af5ce02a2b488d27d53b63 [0,1,0,0,0,0|2,0,0]=3 5321 B12R0.268 CC(=O)CCCOCCCN(C)C 3ff4533ee8d7d9b5b944ca9e22762ef0 [0,1,0,0,0,0|3,0,0]=4 5322 B12R0.268 CC(=O)CCCOCCOC(C)C d2471396a9cb3e55cebe15ba37a097dd [0,1,0,0,0,0|3,0,0]=4 5323 B12R0.268 CC(=O)CCCOCCSC(C)C 69bde9cb898afa6198fb83ba5df27228 [0,1,0,0,0,0|3,0,0]=4 5324 B12R0.268 CC(=O)CCNCCCCC(=O)N 9695db005db5a6494de12c16162ed097 [0,1,0,0,0,0|2,0,1]=4 5325 B12R0.268 CC(=O)CCNCCCCC(=O)O 9acb4ce8240698950de5869fc11dc897 [0,1,0,0,0,0|1,0,1]=3 5326 B12R0.268 CC(=O)CCNCCCCC(F)F 9f7c455accd79448af5043a0ae06e5a3 [0,1,0,0,0,0|3,0,0]=4 5327 B12R0.268 CC(=O)CCNCCCCN(C)C add7dde200662d55b386fe55d1be0391 [0,1,0,0,0,0|3,0,0]=4 5328 B12R0.268 CC(=O)CCNCCCOC(C)C 1bd30519affbcddfbdc4603abc458ec2 [0,1,0,0,0,0|3,0,0]=4 5329 B12R0.268 CC(=O)CCNCCCSC(C)C 5009fd6fbf2815abc082b32f61b537ff [0,1,0,0,0,0|3,0,0]=4 5330 B12R0.268 CC(=O)CCNCCOCC(=O)O 44f43c317e2d6057d4f71c9350349592 [0,1,0,0,0,0|2,0,1]=4 5331 B12R0.268 CC(=O)CCNCCSCC(=O)O 51448d7c9c5838675c25915a9931238a [0,1,0,0,0,0|2,0,1]=4 5332 B12R0.268 CC(=O)CCOCCCCC(=O)N 6decc7c6caba9a28e16f7aa35ed2aa96 [0,1,0,0,0,0|2,0,1]=4 5333 B12R0.268 CC(=O)CCOCCCCC(=O)O 296e87be67b3fc8e7ea7ad204455602a [0,1,0,0,0,0|1,0,1]=3 5334 B12R0.268 CC(=O)CCOCCCCC(C)C c175f11c6de35fc87bc817dcccaa1a16 [0,1,0,0,0,0|2,0,0]=3 5335 B12R0.268 CC(=O)CCOCCCCN(C)C 965141bb482b56950e43864b07e58e7b [0,1,0,0,0,0|3,0,0]=4 5336 B12R0.268 CC(=O)CCOCCCOC(C)C 3de9304542842d5cd56b1fd8838effe4 [0,1,0,0,0,0|3,0,0]=4 5337 B12R0.268 CC(=O)CCOCCCSC(C)C 6aa0316ca4d168c4140ef0523b721108 [0,1,0,0,0,0|3,0,0]=4 5338 B12R0.268 CC(=O)CCOCCOCC(=O)O 1e21547c57e265cb4ad1b0bad8f9874b [0,1,0,0,0,0|2,0,1]=4 5339 B12R0.268 CC(=O)CCOCCOCC(C)C 4a442a7319ff2e1b756148b21563fdce [0,1,0,0,0,0|3,0,0]=4 5340 B12R0.268 CC(=O)CCOCCSCC(C)C ee56ff116eabd51fca8b7664b90974ea [0,1,0,0,0,0|3,0,0]=4 5341 B12R0.268 CC(=O)CNCCCCCC(=O)N 200abafcb520b10146a4cbf60a0ede2c [0,1,0,0,0,0|2,0,1]=4 5342 B12R0.268 CC(=O)CNCCCCCC(C)C 24770649e88fdd3d6391d8c54485a92a [0,1,0,0,0,0|2,0,0]=3 5343 B12R0.268 CC(=O)CNCCCCCC(F)F 62f855c5ed857dbfd2a5f8f83a458a2b [0,1,0,0,0,0|3,0,0]=4 5344 B12R0.268 CC(=O)CNCCCOCC(=O)O 858257665727401bc29f451a2506f59c [0,1,0,0,0,0|2,0,1]=4 5345 B12R0.268 CC(=O)CNCCOCCC(=O)O bc21cd86b574c057d05524813712f07a [0,1,0,0,0,0|2,0,1]=4 5346 B12R0.268 CC(=O)COCCCCCC(=O)N 304497a5198bc3eccb1ad30e0677fef6 [0,1,0,0,0,0|2,0,1]=4 5347 B12R0.268 CC(=O)COCCCCCC(C)C 72c559fde0b6b586b1394d174a8941ac [0,1,0,0,0,0|2,0,0]=3 5348 B12R0.268 CC(=O)COCCCCCC(F)F 5d68e21048603bac2d1d7531a83a1db2 [0,1,0,0,0,0|3,0,0]=4 5349 B12R0.268 CC(=O)COCCCOCC(=O)O 3179224c95c4fb0b5f59eac5c33622b2 [0,1,0,0,0,0|2,0,1]=4 5350 B12R0.268 CC(=O)COCCOCCC(=O)O 8ca4c9c5870d924949cbca252ed46a8e [0,1,0,0,0,0|2,0,1]=4 5351 B12R0.268 CC(=O)NCCCCCCC(C)C 34bfb37edb48c7a4b8a967a4aea9afad [0,1,0,0,0,0|2,0,0]=3 5352 B12R0.268 CC(=O)NCCCCCCN(C)C 77dff664e68430522d92d883259c639e [0,1,0,0,0,0|3,0,0]=4 5353 B12R0.268 CC(=O)NCCCCCNC(C)C d868c72f1387667e91074a4e6a80c3ac [0,1,0,0,0,0|3,0,0]=4 5354 B12R0.268 CC(=O)NCCCCNCC(=O)O 0f74f6703761a2c3fbe726903ec2c8cc [0,1,0,0,0,0|2,0,1]=4 5355 B12R0.268 CC(=O)NCCCCNCC(C)C 7c1a2805f9c4047fee37468c53ee659a [0,1,0,0,0,0|3,0,0]=4 5356 B12R0.268 CC(=O)NCCCCNCC(C)O 1151a7d210ca7bd4989b1a86a5b76b4c [0,1,0,0,0,0|3,0,0]=4 5357 B12R0.268 CC(=O)NCCCCNC[C@@H](C)O 0b0037c5d4a31acbccc3f5d858e90f8a [0,1,0,0,0,0|3,0,0]=4 5358 B12R0.268 CC(=O)NCCCCNC[C@H](C)O 63267fe5d281b8a29857fa0434d16172 [0,1,0,0,0,0|3,0,0]=4 5359 B12R0.268 CC(=O)NCCCCSCC(C)C 05caff17371f8f27b8c34db6be0dd889 [0,1,0,0,0,0|3,0,0]=4 5360 B12R0.268 CC(=O)NCCCNCCC(=O)O 912506dc0dc41fc55880f6303f17352c [0,1,0,0,0,0|2,0,1]=4 5361 B12R0.268 CC(=O)NCCCNCCC(C)C 781edecb2fca6f04f407318c133748da [0,1,0,0,0,0|3,0,0]=4 5362 B12R0.268 CC(=O)NCCCNCCC(C)O dab25dac90341e6ca1e3f53d50a12755 [0,1,0,0,0,0|3,0,0]=4 5363 B12R0.268 CC(=O)NCCCNCC[C@@H](C)O df3d51a1a700f6e6223a57795629bc27 [0,1,0,0,0,0|3,0,0]=4 5364 B12R0.268 CC(=O)NCCCNCC[C@H](C)O 343b0cb09b966a4a294fba6c68e5984b [0,1,0,0,0,0|3,0,0]=4 5365 B12R0.268 CC(=O)NCCCOCCC(=O)O 68102b687d5563ef8c4dbb09a149660c [0,1,0,0,0,0|2,0,1]=4 5366 B12R0.268 CC(=O)NCCCOCCC(C)C 9ecb57134fe227b711bbbcfcfb6f52e7 [0,1,0,0,0,0|3,0,0]=4 5367 B12R0.268 CC(=O)NCCNCCCC(=O)O fff5659c3fb9514ce6bae702e0d11af7 [0,1,0,0,0,0|2,0,1]=4 5368 B12R0.268 CC(=O)NCCNCCCC(C)C 30fbf659f039ad5f1f39cf7c2a56b646 [0,1,0,0,0,0|3,0,0]=4 5369 B12R0.268 CC(=O)NCCNCCCC(C)O b3f84dda5a9e90a3a38f9f22150427fa [0,1,0,0,0,0|3,0,0]=4 5370 B12R0.268 CC(=O)NCCOCCCC(C)C c54ce6ee9dcf4a513c06d652e773834d [0,1,0,0,0,0|3,0,0]=4 5371 B12R0.268 CC(=O)NCOCCCCC(=O)O 5dabbd868bae50cfc8de1f589142652a [0,1,0,0,0,0|2,0,1]=4 5372 B12R0.268 CC(=O)NCOCCCCC(C)C 82e83a8419e70b4c80a8d99c2b529e47 [0,1,0,0,0,0|3,0,0]=4 5373 B12R0.268 CC(=O)OCCCCCOC(C)C 939bda4169328ffb3af9ef7f6fb13a87 [0,1,0,0,0,0|3,0,0]=4 5374 B12R0.268 CC(=O)OCCCCNCC(=O)O c1faf6edb56e9bd89394924be6d52132 [0,1,0,0,0,0|2,0,1]=4 5375 B12R0.268 CC(=O)OCCCCNCC(C)C d6fa23b23112de2329d9ddf04e26337f [0,1,0,0,0,0|3,0,0]=4 5376 B12R0.268 CC(=O)OCCCCNCC(C)O c3d4d9310acd7e4d537e1960f26f96eb [0,1,0,0,0,0|3,0,0]=4 5377 B12R0.268 CC(=O)OCCCCNC[C@@H](C)O 78a3999634f0b893993c022ab63fa4e1 [0,1,0,0,0,0|3,0,0]=4 5378 B12R0.268 CC(=O)OCCCCNC[C@H](C)O 8821d4d913f049294f35b758d3650ed6 [0,1,0,0,0,0|3,0,0]=4 5379 B12R0.268 CC(=O)OCCCCOCC(=O)O 96c23f283c37096e1a978ccee6a0d65e [0,1,0,0,0,0|2,0,1]=4 5380 B12R0.268 CC(=O)OCCCCOCC(C)C 00f3d16e8ea6c4f3c0c86e094b642b46 [0,1,0,0,0,0|3,0,0]=4 5381 B12R0.268 CC(=O)OCCCCOCC(C)F 394d4f24a5bb78acae8c22670a30c65d [0,1,0,0,0,0|3,0,0]=4 5382 B12R0.268 CC(=O)OCCCCOCC(C)S 4da3029313ca2c8a52816897b5cbbae9 [0,1,0,0,0,0|3,0,0]=4 5383 B12R0.268 CC(=O)OCCCCOC[C@@H](C)F ab8bca16573be986fa4320ad0e206953 [0,1,0,0,0,0|3,0,0]=4 5384 B12R0.268 CC(=O)OCCCCOC[C@H](C)F 5a443f8a35970f55bef91f8522dd5b14 [0,1,0,0,0,0|3,0,0]=4 5385 B12R0.268 CC(=O)OCCCNCCC(=O)O 6096823a559cfe462884fe7422ffcc85 [0,1,0,0,0,0|2,0,1]=4 5386 B12R0.268 CC(=O)OCCCNCCC(C)C d5a1fd3318cb803949978b5c099944e6 [0,1,0,0,0,0|3,0,0]=4 5387 B12R0.268 CC(=O)OCCCNCCC(C)O 39ede755fb77a6275479c6f1297578f7 [0,1,0,0,0,0|3,0,0]=4 5388 B12R0.268 CC(=O)OCCCNCC[C@@H](C)O b648cd8fe99829a3abbd2601438f5159 [0,1,0,0,0,0|3,0,0]=4 5389 B12R0.268 CC(=O)OCCCNCC[C@H](C)O de17a96e228173828b648644d5ff67fd [0,1,0,0,0,0|3,0,0]=4 5390 B12R0.268 CC(=O)OCCCOCCC(=O)O feb3675836da5b60e8307190789a90d0 [0,1,0,0,0,0|2,0,1]=4 5391 B12R0.268 CC(=O)OCCCOCCC(C)C 7f2525c9fb043e9cc4d684d8c78001ef [0,1,0,0,0,0|3,0,0]=4 5392 B12R0.268 CC(=O)OCCNCCCC(=O)O c4e4a63a59efc40114dd786b7dd13698 [0,1,0,0,0,0|2,0,1]=4 5393 B12R0.268 CC(=O)OCCNCCCC(C)C 026af22f2715b9238a7b45067f68b3d1 [0,1,0,0,0,0|3,0,0]=4 5394 B12R0.268 CC(=O)OCCOCCCC(=O)O 7d92b45e1853f87f49dcc69314d012d0 [0,1,0,0,0,0|2,0,1]=4 5395 B12R0.268 CC(=O)OCCOCCCC(C)C 0d3ac3307e156c582d5569e1e8c3142f [0,1,0,0,0,0|3,0,0]=4 5396 B12R0.268 CC(=O)OCNCCCCC(=O)O 57d9144a18a37ae656485a277f375e4d [0,1,0,0,0,0|2,0,1]=4 5397 B12R0.268 CC(=O)OCOCCCCC(=O)O 2e1755233af8d99ba411ed92834795b9 [0,1,0,0,0,0|2,0,1]=4 5398 B12R0.268 CC(=O)OCOCCCCC(C)C a6cfece8f9c8b29a9f6c0cca348b6cec [0,1,0,0,0,0|3,0,0]=4 5399 B12R0.268 CC(=O)SCCCCNCC(=O)O f04edff5393aa2fc4471967b62c69759 [0,1,0,0,0,0|2,0,1]=4 5400 B12R0.268 CC(=O)SCCCCNCC(C)C 21a8314c550143898f79ebbb4bb3ff2d [0,1,0,0,0,0|3,0,0]=4 5401 B12R0.268 CC(=O)SCCCCNCC(C)O eb1cd9c703d3fe8715ab5e13535e4457 [0,1,0,0,0,0|3,0,0]=4 5402 B12R0.268 CC(=O)SCCCCNC[C@@H](C)O 9ce184814bdfc6a143ddaf6a1af3cd88 [0,1,0,0,0,0|3,0,0]=4 5403 B12R0.268 CC(=O)SCCCCNC[C@H](C)O 0ddb5172e6ecf33159f75ef7cdf46913 [0,1,0,0,0,0|3,0,0]=4 5404 B12R0.268 CC(=O)SCCCCOCC(=O)O 6583f73f7babb4518f3253d7f65acb78 [0,1,0,0,0,0|2,0,1]=4 5405 B12R0.268 CC(=O)SCCCCOCC(C)C 0b71a2516497835f9d26d87a5657d978 [0,1,0,0,0,0|3,0,0]=4 5406 B12R0.268 CC(=O)SCCCCOCC(C)F c7eedac6447169fad78b1657099e98fd [0,1,0,0,0,0|3,0,0]=4 5407 B12R0.268 CC(=O)SCCCCOCC(C)S 7bf6766bca1e3907d841dd2115bc937a [0,1,0,0,0,0|3,0,0]=4 5408 B12R0.268 CC(=O)SCCCCOC[C@@H](C)F 6dd6499f04c9c6f907de1bf6efc02bbe [0,1,0,0,0,0|3,0,0]=4 5409 B12R0.268 CC(=O)SCCCCOC[C@H](C)F 6a26a633a36936c28112fdbd175a97d5 [0,1,0,0,0,0|3,0,0]=4 5410 B12R0.268 CC(=O)SCCCNCCC(=O)O 99184051885e0d2e1f9f4a4d487ecefe [0,1,0,0,0,0|2,0,1]=4 5411 B12R0.268 CC(=O)SCCCNCCC(C)C c579f7ffdb3165b033b414ce4c68997e [0,1,0,0,0,0|3,0,0]=4 5412 B12R0.268 CC(=O)SCCCNCCC(C)O 69fd866b39009ecdd93ec4381a8ec704 [0,1,0,0,0,0|3,0,0]=4 5413 B12R0.268 CC(=O)SCCCNCC[C@@H](C)O 270f18d38a43167fbdd5b971833a87aa [0,1,0,0,0,0|3,0,0]=4 5414 B12R0.268 CC(=O)SCCCNCC[C@H](C)O 5ae1e20d2be411714df38424134e1bca [0,1,0,0,0,0|3,0,0]=4 5415 B12R0.268 CC(=O)SCCCOCCC(=O)O 5f24f42f8dbe9e6def24f5bac5ac2726 [0,1,0,0,0,0|2,0,1]=4 5416 B12R0.268 CC(=O)SCCCOCCC(C)C ae1cc2e1b049cb3676c9ce4556e89e19 [0,1,0,0,0,0|3,0,0]=4 5417 B12R0.268 CC(=O)SCCNCCCC(=O)O 1db923fd72a703dfffe5b757d59db6b8 [0,1,0,0,0,0|2,0,1]=4 5418 B12R0.268 CC(=O)SCCNCCCC(C)C bdb572517f3f23b419ee6647b84124e6 [0,1,0,0,0,0|3,0,0]=4 5419 B12R0.268 CC(=O)SCCOCCCC(C)C 5dc93902ff66f564c4cd6850363b1324 [0,1,0,0,0,0|3,0,0]=4 5420 B12R0.268 CC(=S)OCCCNCCC(=O)O 91c3f830da9243f3de04197e47240e30 [0,1,0,0,0,0|2,0,1]=4 5421 B12R0.268 CC(=S)OCCCOCCC(=O)O 0794d034d9be0ffe56ab6cb9cbd24d46 [0,1,0,0,0,0|2,0,1]=4 5422 B12R0.268 CC(C)/C=C/CNCCCC(=O)O 82937dc65519227c934cfc63d9836fa6 [0,1,0,0,0,0|1,0,2]=4 5423 B12R0.268 CC(C)CCCCCNCC(=O)N add55d564e78476a591a379ad5c7dc16 [0,1,0,0,0,0|2,0,0]=3 5424 B12R0.268 CC(C)CCCCCNCC(=O)O bc1e72eb6cd8a0a88440d6aab5dfc8c4 [0,1,0,0,0,0|1,0,0]=2 5425 B12R0.268 CC(C)CCCCCNCC(C)O 8c296eeb310e4254cde3c8dbff584dad [0,1,0,0,0,0|2,0,1]=4 5426 B12R0.268 CC(C)CCCCCNC[C@@H](C)O 7b6f280296c9380a9fd6a2e191b5a127 [0,1,0,0,0,0|2,0,1]=4 5427 B12R0.268 CC(C)CCCCCNC[C@H](C)O df8cdece7f64ae92248923ce6f24ecf8 [0,1,0,0,0,0|2,0,1]=4 5428 B12R0.268 CC(C)CCCCCNC[N+](=O)[O-] 1c0a82e5d6b5b2f33d559fdf9f66cd88 [0,1,0,0,0,0|2,0,1]=4 5429 B12R0.268 CC(C)CCCCCOCC(=O)N 6348bb37eda59a41a3b6865dca0bf31a [0,1,0,0,0,0|2,0,0]=3 5430 B12R0.268 CC(C)CCCCCOCC(=O)O ad5b528a5f39e66824c6882877801d6d [0,1,0,0,0,0|1,0,0]=2 5431 B12R0.268 CC(C)CCCCCOCC(=S)N d5de4d9c11ad49bafb66678e06a980f1 [0,1,0,0,0,0|2,1,0]=4 5432 B12R0.268 CC(C)CCCCCOCS(=O)O 7392b27b75370fe124595f77c19ef7c2 [0,1,0,0,0,0|2,0,0]=3 5433 B12R0.268 CC(C)CCCCCOC[N+](=O)[O-] 497b22d5256d95863a397410d0c33fd8 [0,1,0,0,0,0|2,0,1]=4 5434 B12R0.268 CC(C)CCCCNCCC(=O)N 22510856d37a9026d14c59e654466b69 [0,1,0,0,0,0|2,0,0]=3 5435 B12R0.268 CC(C)CCCCNCCC(=O)O 6f9b0e5dbba9eb2b66a4135799fd5727 [0,1,0,0,0,0|1,0,0]=2 5436 B12R0.268 CC(C)CCCCNCCC(=S)N 8ff4b268974c194bb1b2fcb37914f224 [0,1,0,0,0,0|2,1,0]=4 5437 B12R0.268 CC(C)CCCCNCCC(C)O de66ca1cca76c20acc226e3de8ab7f9f [0,1,0,0,0,0|2,0,1]=4 5438 B12R0.268 CC(C)CCCCNCCS(=O)C 2de351369cba15b80f969469fea41940 [0,1,0,0,0,0|3,0,0]=4 5439 B12R0.268 CC(C)CCCCNCCS(=O)O 2e316773e063740a9861d6dff6e1ca59 [0,1,0,0,0,0|2,0,0]=3 5440 B12R0.268 CC(C)CCCCNCC[C@@H](C)O 41f5e7f60a163149c646010ca6aaf7c5 [0,1,0,0,0,0|2,0,1]=4 5441 B12R0.268 CC(C)CCCCNCC[C@H](C)O e71ea23502c1fb79161d4d81d21f17df [0,1,0,0,0,0|2,0,1]=4 5442 B12R0.268 CC(C)CCCCOCCC(=O)N a5214f0788cfda7efeab196fec3e0138 [0,1,0,0,0,0|2,0,0]=3 5443 B12R0.268 CC(C)CCCCOCCC(=O)O eb4b6a5d6c58fa91464161fa5217a654 [0,1,0,0,0,0|1,0,0]=2 5444 B12R0.268 CC(C)CCCCOCCS(=O)C e4e59eaa27d9214ae25384c8a1b93c5d [0,1,0,0,0,0|3,0,0]=4 5445 B12R0.268 CC(C)CCCCOCC[N+](=O)[O-] 2da21cc9ab733301e9b714d3ee80e32a [0,1,0,0,0,0|2,0,1]=4 5446 B12R0.268 CC(C)CCCCOCNC(=O)N 0cd4254b7f95ae4e80fbc9ba8cd9f427 [0,1,0,0,0,0|3,0,0]=4 5447 B12R0.268 CC(C)CCCCOCSC(=O)N 3e15cf1ccfd0c37ed271b614a190908b [0,1,0,0,0,0|3,0,0]=4 5448 B12R0.268 CC(C)CCCNC/C=C/C(=O)O a33011719d611a5453fe5ab7c43753f0 [0,1,0,0,0,0|1,0,2]=4 5449 B12R0.268 CC(C)CCCNCC#CC(=O)O 671098d2be027acda9cd5c7b8a6a3af8 [0,1,0,0,0,0|1,0,2]=4 5450 B12R0.268 CC(C)CCCNCC=CC(=O)O b76f6ef956e3e8f9b1e66a52c0b00bca [0,1,0,0,0,0|1,0,2]=4 5451 B12R0.268 CC(C)CCCNCCCC(=O)N da1f812f62c9671ff573348590b550df [0,1,0,0,0,0|2,0,0]=3 5452 B12R0.268 CC(C)CCCNCCCC(=O)O d53bbc48af8962d41c40e02914ec4a3c [0,1,0,0,0,0|1,0,0]=2 5453 B12R0.268 CC(C)CCCNCCCC(C)O b9864289dab92da14ba03113245ce737 [0,1,0,0,0,0|2,0,1]=4 5454 B12R0.268 CC(C)CCCNCCCS(=O)C 69ce10f65bd882802139ebd3d9e04172 [0,1,0,0,0,0|3,0,0]=4 5455 B12R0.268 CC(C)CCCNCCC[N+](=O)[O-] 35ddcc0f28f219e9bc26a76e40b7e506 [0,1,0,0,0,0|2,0,1]=4 5456 B12R0.268 CC(C)CCCNCCNC(=O)N 1c788f4d090d903125475bbd9d2743a6 [0,1,0,0,0,0|3,0,0]=4 5457 B12R0.268 CC(C)CCCOC/C=C/C(=O)O 2e217e2a399f7a2a4a3208854335ba13 [0,1,0,0,0,0|1,0,2]=4 5458 B12R0.268 CC(C)CCCOCC#CC(=O)O f2889ca47d9abb672cd8228b590cfc82 [0,1,0,0,0,0|1,0,2]=4 5459 B12R0.268 CC(C)CCCOCC=CC(=O)O b0fbc14cbec1d9d6d1c8e690850b4009 [0,1,0,0,0,0|1,0,2]=4 5460 B12R0.268 CC(C)CCCOCCCC(=O)N 132567646765e45229d5787f5f5347a4 [0,1,0,0,0,0|2,0,0]=3 5461 B12R0.268 CC(C)CCCOCCC[N+](=O)[O-] 7d4406c28ab95d591214d134c80211b7 [0,1,0,0,0,0|2,0,1]=4 5462 B12R0.268 CC(C)CCCOCCNC(=O)N 7bbe7fa4a4c972263baa0d82881e1d63 [0,1,0,0,0,0|3,0,0]=4 5463 B12R0.268 CC(C)CCNCCCCC(=O)N 35b6cd054ada524a7ad07a1076fb2df8 [0,1,0,0,0,0|2,0,0]=3 5464 B12R0.268 CC(C)CCNCCCCC(=O)O b00c47ec3791b0904d76bf6e85ff2c88 [0,1,0,0,0,0|1,0,0]=2 5465 B12R0.268 CC(C)CCNCCCCC(C)O 3a1fbe0d96e6e3cd3eec55341036bb65 [0,1,0,0,0,0|2,0,1]=4 5466 B12R0.268 CC(C)CCNCCCC[C@@H](C)O 73a59c355a71249c2c704ea4cef776e2 [0,1,0,0,0,0|2,0,1]=4 5467 B12R0.268 CC(C)CCNCCOCC(=O)N bc9930765a8eece7d798ef1122fb9e6f [0,1,0,0,0,0|3,0,0]=4 5468 B12R0.268 CC(C)CCNCCOCC(=O)O a4423bcdc3af109df336fe29b2076494 [0,1,0,0,0,0|2,0,0]=3 5469 B12R0.268 CC(C)CCNCCSCC(=O)O 3f1bdc4c1cc7fc67fb176629a5287ef6 [0,1,0,0,0,0|2,0,0]=3 5470 B12R0.268 CC(C)CCOCCC#CC(=O)O bf015b0fc788558f2ace5579ec6336a8 [0,1,0,0,0,0|1,0,2]=4 5471 B12R0.268 CC(C)CCOCCCCC(=O)N b8cec939c9eea690062b4f3fd9757ff3 [0,1,0,0,0,0|2,0,0]=3 5472 B12R0.268 CC(C)CCOCCCCC(=O)O 3ae9c5d31d01bc421d73e55604a98e93 [0,1,0,0,0,0|1,0,0]=2 5473 B12R0.268 CC(C)CCOCCCC[N+](=O)[O-] 83bf89c943427a270f61535cf88599f1 [0,1,0,0,0,0|2,0,1]=4 5474 B12R0.268 CC(C)CCOCCOCC(=O)N 80f30758446bd672f95daf5f7bb19631 [0,1,0,0,0,0|3,0,0]=4 5475 B12R0.268 CC(C)CCOCCOCC(=O)O a445bb9639b096977d254b04016da225 [0,1,0,0,0,0|2,0,0]=3 5476 B12R0.268 CC(C)CCOCCSCC(=O)N 5dbe933027e27f0b126a8525296de4ee [0,1,0,0,0,0|3,0,0]=4 5477 B12R0.268 CC(C)CNCCCCCC(=O)N 8f183d554bdd6ebde37d38024ccb9747 [0,1,0,0,0,0|2,0,0]=3 5478 B12R0.268 CC(C)CNCCCCCC(=O)O 82ae2bb3033420f8e0fe10ffbe7afe0a [0,1,0,0,0,0|1,0,0]=2 5479 B12R0.268 CC(C)CNCCCOCC(=O)O c324bfafa10d520644c94ab51490d80c [0,1,0,0,0,0|2,0,0]=3 5480 B12R0.268 CC(C)CNCCOCCC(=O)O 840680849493aba021f54df631e1522d [0,1,0,0,0,0|2,0,0]=3 5481 B12R0.268 CC(C)COCCCCCC(=O)N 8ccdb89f10eef1c35aaa141f0eae5bc2 [0,1,0,0,0,0|2,0,0]=3 5482 B12R0.268 CC(C)COCCCCCC(=O)O a9671be5780033acdb72d3d5fb13d61d [0,1,0,0,0,0|1,0,0]=2 5483 B12R0.268 CC(C)COCCCNCC(=O)N 86f2287438ca77a8bbd0e77bfed73828 [0,1,0,0,0,0|3,0,0]=4 5484 B12R0.268 CC(C)COCCCNCC(=O)O 28abd3c356fb9874cc1b85f0c9de81b5 [0,1,0,0,0,0|2,0,0]=3 5485 B12R0.268 CC(C)COCCCOCC(=O)N 25f2ec72817e8193ccd1a4e99f3da4df [0,1,0,0,0,0|3,0,0]=4 5486 B12R0.268 CC(C)COCCCOCC(=O)O 07ad80033f8a0ca8a009221faaf2cf5d [0,1,0,0,0,0|2,0,0]=3 5487 B12R0.268 CC(C)COCCNCCC(=O)N e7e5db4039c02741de95e04cdbf27d59 [0,1,0,0,0,0|3,0,0]=4 5488 B12R0.268 CC(C)COCCNCCC(=O)O c44e0d1952cade62d1f8db4c343790a9 [0,1,0,0,0,0|2,0,0]=3 5489 B12R0.268 CC(C)COCCNCCS(=O)O 1a4b6a5613400108ae5588883690c805 [0,1,0,0,0,0|3,0,0]=4 5490 B12R0.268 CC(C)COCCOCCC(=O)N 96fce12d735cf8676d69781cc89c358e [0,1,0,0,0,0|3,0,0]=4 5491 B12R0.268 CC(C)COCCOCCC(=O)O f990a89879389c9de4c1aebcf54afbaf [0,1,0,0,0,0|2,0,0]=3 5492 B12R0.268 CC(C)CSCCCOCC(=O)N 24a64b8eec97c4bb870491eaea723dc3 [0,1,0,0,0,0|3,0,0]=4 5493 B12R0.268 CC(C)CSCCCOCC(=O)O 337056f618b2f4369e2d8c5a463d01a5 [0,1,0,0,0,0|2,0,0]=3 5494 B12R0.268 CC(C)CSCCOCCC(=O)N fd16f9d3b7a94ff26a343de47c80334a [0,1,0,0,0,0|3,0,0]=4 5495 B12R0.268 CC(C)CSCCOCCC(=O)O 330060cf7f0c89405cb65b44c5d529a4 [0,1,0,0,0,0|2,0,0]=3 5496 B12R0.268 CC(C)NCCCCCCC(=O)O 23aae92806f6b4ef29fa0844f7b2d02b [0,1,0,0,0,0|1,0,0]=2 5497 B12R0.268 CC(C)NCCCSCCC(=O)N db2fcd660bacd7f4fda470e9a71a209d [0,1,0,0,0,0|3,0,0]=4 5498 B12R0.268 CC(C)NCCSSCCC(=O)O e09db4d09beb344fe4d7326ac97a3bd5 [0,1,0,0,0,0|3,0,0]=4 5499 B12R0.268 CC(C)OCCCCCCC(=O)N 802f541d23bb391f02671f5072f7b9f7 [0,1,0,0,0,0|2,0,0]=3 5500 B12R0.268 CC(C)OCCCCCCC(=O)O 97d8bafef78d17118fcd21444e2b7046 [0,1,0,0,0,0|1,0,0]=2 5501 B12R0.268 CC(C)OCCCNCCC(=O)N 0a9feb8f5117eaeabf55f10ad0c5aa05 [0,1,0,0,0,0|3,0,0]=4 5502 B12R0.268 CC(C)OCCCNCCC(=O)O 08dd0ffc5730b9e52f3ec3f177f9eca8 [0,1,0,0,0,0|2,0,0]=3 5503 B12R0.268 CC(C)OCCCOCCC(=O)N 4b663bcc4bfcc30127434bbb929dccb0 [0,1,0,0,0,0|3,0,0]=4 5504 B12R0.268 CC(C)OCCCOCCC(=O)O c84a12240dcf5a7211473043dc30094a [0,1,0,0,0,0|2,0,0]=3 5505 B12R0.268 CC(C)OCCNCCCC(=O)N 33ae78aea0d95d73cae3d7a75e7e8028 [0,1,0,0,0,0|3,0,0]=4 5506 B12R0.268 CC(C)OCCNCCCC(=O)O d880807c1fa71b9bf239e60255e19dcb [0,1,0,0,0,0|2,0,0]=3 5507 B12R0.268 CC(C)OCCOCCCC(=O)N f4ad64e54d458c7b084107c35892c62a [0,1,0,0,0,0|3,0,0]=4 5508 B12R0.268 CC(C)OCCOCCCC(=O)O 80210f3199d9523f962ff3c546a862ce [0,1,0,0,0,0|2,0,0]=3 5509 B12R0.268 CC(C)OCNCCCCC(=O)N 4935b7c9ba7445d05f9f351e84bc156a [0,1,0,0,0,0|3,0,0]=4 5510 B12R0.268 CC(C)OCNCCCCC(=O)O f23c9d99671828b4d1da38220fa9c2ee [0,1,0,0,0,0|2,0,0]=3 5511 B12R0.268 CC(C)OCNCCOCC(=O)O 02ed1b5514a2054d561ca4dd02fc8f4b [0,1,0,0,0,0|3,0,0]=4 5512 B12R0.268 CC(C)OCNCCSCC(=O)O 1ef5ed7ea347a83c138cc49c208f41f2 [0,1,0,0,0,0|3,0,0]=4 5513 B12R0.268 CC(C)OCOCCCCC(=O)N bcdda1f879b7eae065001a31aa05d1c6 [0,1,0,0,0,0|3,0,0]=4 5514 B12R0.268 CC(C)OCOCCCCC(=O)O 91adfd558a0f7f8366e3931002d123f2 [0,1,0,0,0,0|2,0,0]=3 5515 B12R0.268 CC(C)OCOCCOCC(=O)O 9ab42b59b8ad859d1e60585eb5a4c94b [0,1,0,0,0,0|3,0,0]=4 5516 B12R0.268 CC(C)SCCCNCCC(=O)N 9b5bdfb680fb9df39ac25d5bc614b65c [0,1,0,0,0,0|3,0,0]=4 5517 B12R0.268 CC(C)SCCCNCCC(=O)O 705b6a8d6727893ded798a08f9d8495b [0,1,0,0,0,0|2,0,0]=3 5518 B12R0.268 CC(C)SCCCOCCC(=O)N 622d09e76f118d83e8645a812656b217 [0,1,0,0,0,0|3,0,0]=4 5519 B12R0.268 CC(C)SCCCOCCC(=O)O 39a9114f61becd4656219b5ffed6ee51 [0,1,0,0,0,0|2,0,0]=3 5520 B12R0.268 CC(C)SCCNCCCC(=O)N df86f81dcff1325aaedd0dce13ec31cc [0,1,0,0,0,0|3,0,0]=4 5521 B12R0.268 CC(C)SCCOCCCC(=O)N 9148f4c7883c9c2a846f20e7888ef781 [0,1,0,0,0,0|3,0,0]=4 5522 B12R0.268 CC(C)SCCOCCCC(=O)O e2cb31e769e7d7cc82797b88b0d1e622 [0,1,0,0,0,0|2,0,0]=3 5523 B12R0.268 CC(F)COCCCCCC(=O)N f63b7a20c4a0ba0e1857a4c00bdd49ac [0,1,0,0,0,0|2,0,0]=3 5524 B12R0.268 CC(F)COCCCOCC(=O)O 6ac14902880137f95f3016382f6bfabd [0,1,0,0,0,0|2,0,0]=3 5525 B12R0.268 CC(F)COCCOCCC(=O)O f8d16097559cbc48e8fd9a8214896b6f [0,1,0,0,0,0|2,0,0]=3 5526 B12R0.268 CC(O)CCCCNCCC(=O)N b4b8b8680aee9170e5b67401e1860296 [0,1,0,0,0,0|2,0,0]=3 5527 B12R0.268 CC(O)CCCCNCCC(=O)O 5c2365ddb948ecd957dd41a6dda4cd9f [0,1,0,0,0,0|1,0,0]=2 5528 B12R0.268 CC(O)CCCCNCCC(=S)N 8fd167df704ce93c5edf6b11c06073b2 [0,1,0,0,0,0|2,1,0]=4 5529 B12R0.268 CC(O)CCCCNCCC(C)O b9cb2d117925f56e14e2a4322aed3bee [0,1,0,0,0,0|2,0,1]=4 5530 B12R0.268 CC(O)CCCCNCCS(=O)C 1018b526ed8cd13800a19487aa2c9cf5 [0,1,0,0,0,0|3,0,0]=4 5531 B12R0.268 CC(O)CCCCNCCS(=O)O 3801ba2fa5b410e88e4087a87ccd3a7f [0,1,0,0,0,0|2,0,0]=3 5532 B12R0.268 CC(O)CCCCNCC[C@@H](C)O 8e0b317e099d3ee1f5f75cca8ab864ca [0,1,0,0,0,0|2,0,1]=4 5533 B12R0.268 CC(O)CCCCNCC[C@H](C)O 9f5179d9b2a6f43698bfeb1d5b3500e6 [0,1,0,0,0,0|2,0,1]=4 5534 B12R0.268 CC(O)CCCNC/C=C/C(=O)O 38949f552607564c3350d5c34b7346bf [0,1,0,0,0,0|1,0,2]=4 5535 B12R0.268 CC(O)CCCNCC#CC(=O)O 5dbc19a3e42a492ec7031d350c02e869 [0,1,0,0,0,0|1,0,2]=4 5536 B12R0.268 CC(O)CCCNCC=CC(=O)O 3c34fa5d3f7b08482e776928bb8b1181 [0,1,0,0,0,0|1,0,2]=4 5537 B12R0.268 CC(O)CCCNCCCC(=O)N b39079b8ea4cca36a3cdc5707447e642 [0,1,0,0,0,0|2,0,0]=3 5538 B12R0.268 CC(O)CCCNCCCC(=O)O c3136a8e1c16bef3b091a09bf5614109 [0,1,0,0,0,0|1,0,0]=2 5539 B12R0.268 CC(O)CCCNCCCS(=O)C 0d5fb88893e927a6b0e6fa8c6de7e2ef [0,1,0,0,0,0|3,0,0]=4 5540 B12R0.268 CC(O)CCNCCCCC(=O)N 7ca1be026d10e193417a370269df9722 [0,1,0,0,0,0|2,0,0]=3 5541 B12R0.268 CC(O)CCNCCCCC(=O)O aaa0af2603bb1890250e5799e0fc3d68 [0,1,0,0,0,0|1,0,0]=2 5542 B12R0.268 CC(O)CCNCCCC[C@@H](C)O 64c50aa10e0b6519e1e37e471341bab3 [0,1,0,0,0,0|2,0,1]=4 5543 B12R0.268 CC(O)CCNCCOCC(=O)N 22442c9da7259fafbb211faaa6d77e18 [0,1,0,0,0,0|3,0,0]=4 5544 B12R0.268 CC(O)CCNCCOCC(=O)O bb5ef11ff3e1510ffbebc5d5406082e4 [0,1,0,0,0,0|2,0,0]=3 5545 B12R0.268 CC(O)CCNCCSCC(=O)O 2fec971b932b66151bf624051b149ea6 [0,1,0,0,0,0|2,0,0]=3 5546 B12R0.268 CC(O)CNCCCCCC(=O)N 64c2e15a913b4d182399b7dfc853ae53 [0,1,0,0,0,0|2,0,0]=3 5547 B12R0.268 CC(O)CNCCCCCC(=O)O fea82d849942b8001a98607fcfdf8592 [0,1,0,0,0,0|1,0,0]=2 5548 B12R0.268 CC(O)CNCCCOCC(=O)O 5093c244c086ff3b793f416094a363cd [0,1,0,0,0,0|2,0,0]=3 5549 B12R0.268 CC(O)CNCCOCCC(=O)O b31620929365bc807623976fa3705b76 [0,1,0,0,0,0|2,0,0]=3 5550 B12R0.268 CC(S)COCCCCCC(=O)N 5dc6f1dd5078c855b0bbdb9d4e0b0154 [0,1,0,0,0,0|2,0,0]=3 5551 B12R0.268 CC(S)COCCCOCC(=O)O 46865c8f64bc67f2777e0ccf0a7554f0 [0,1,0,0,0,0|2,0,0]=3 5552 B12R0.268 CC(S)COCCOCCC(=O)O 495b13dcd97727b036dd88a1cb866909 [0,1,0,0,0,0|2,0,0]=3 5553 B12R0.268 CN(C)CCCCCNCC(=O)N f884e816cd2ae7ae3a18f2bed8264643 [0,1,0,0,0,0|3,0,0]=4 5554 B12R0.268 CN(C)CCCCCNCC(=O)O 39fabaf68126fb3d48872a243844975d [0,1,0,0,0,0|2,0,0]=3 5555 B12R0.268 CN(C)CCCCCOCC(=O)N 98ec1526562f180dcd560db860ce72a3 [0,1,0,0,0,0|3,0,0]=4 5556 B12R0.268 CN(C)CCCCCOCC(=O)O e2568145e4f4f89cab11f983486a4e32 [0,1,0,0,0,0|2,0,0]=3 5557 B12R0.268 CN(C)CCCCNCCC(=O)N 3ffb618044ed5d8adc868ecdf06d2018 [0,1,0,0,0,0|3,0,0]=4 5558 B12R0.268 CN(C)CCCCNCCC(=O)O 19ca5f75dc0b17510db9f42fc6e708d6 [0,1,0,0,0,0|2,0,0]=3 5559 B12R0.268 CN(C)CCCCNCCS(=O)O 09f8ace8aa072a063898763ba89b85bd [0,1,0,0,0,0|3,0,0]=4 5560 B12R0.268 CN(C)CCCCOCCC(=O)N a57dc12bd5169ccbce27383e4aba5a9e [0,1,0,0,0,0|3,0,0]=4 5561 B12R0.268 CN(C)CCCCOCCC(=O)O 884f09f35ade4d5b00ff0ca246939976 [0,1,0,0,0,0|2,0,0]=3 5562 B12R0.268 CN(C)CCCNCCCC(=O)N fdf9c735a0fac1d1495e04edc62f6bb7 [0,1,0,0,0,0|3,0,0]=4 5563 B12R0.268 CN(C)CCCNCCCC(=O)O fcacbb26654fd2dc25117642d327501c [0,1,0,0,0,0|2,0,0]=3 5564 B12R0.268 CN(C)CCCOCCCC(=O)N d1a86775924e67ee80b776f22e487877 [0,1,0,0,0,0|3,0,0]=4 5565 B12R0.268 CN(C)CCCOCCCC(=O)O ea50da235abd1b9042db59bf75ed455f [0,1,0,0,0,0|2,0,0]=3 5566 B12R0.268 CN(C)CCNCCCCC(=O)N 67a116bd824e17c719b4a418babb828d [0,1,0,0,0,0|3,0,0]=4 5567 B12R0.268 CN(C)CCNCCCCC(=O)O 24f28a32221a8a7b5df2b45492f939f7 [0,1,0,0,0,0|2,0,0]=3 5568 B12R0.268 CN(C)CCNCCOCC(=O)O 13786a7806d6f0771f0043250174cf9b [0,1,0,0,0,0|3,0,0]=4 5569 B12R0.268 CN(C)CCOCCCCC(=O)N 246a03b0938423035fbc5099cafa2e21 [0,1,0,0,0,0|3,0,0]=4 5570 B12R0.268 CN(C)CCOCCCCC(=O)O 600906eb06da616665ffe3f4c65e054f [0,1,0,0,0,0|2,0,0]=3 5571 B12R0.268 CN(C)CCOCCNCC(=O)O eded3a13661a9702d9a9afd404b00f60 [0,1,0,0,0,0|3,0,0]=4 5572 B12R0.268 CN(C)CCOCCOCC(=O)O cccb5abbc0082dbc3bfd9cbbae10e7d5 [0,1,0,0,0,0|3,0,0]=4 5573 B12R0.268 CN(C)CNCCCCCC(=O)N 2650686fc6f26fbda8b37eb2c7effc3d [0,1,0,0,0,0|3,0,0]=4 5574 B12R0.268 CN(C)CNCCCCCC(=O)O c5e53d0e369fd3ab0c9c5013ca248d4c [0,1,0,0,0,0|2,0,0]=3 5575 B12R0.268 CN(C)CNCCOCCC(=O)O e1d9cab8ac430e96530831bef2548845 [0,1,0,0,0,0|3,0,0]=4 5576 B12R0.268 CN(C)COCCCCCC(=O)N cde0d2f85bc27e49cb8c78e6a57cd8eb [0,1,0,0,0,0|3,0,0]=4 5577 B12R0.268 CN(C)COCCCCCC(=O)O c977467f2188184162a964f8758957c1 [0,1,0,0,0,0|2,0,0]=3 5578 B12R0.268 CN(C)COCCOCCC(=O)O f57cadec9b42626f91e9348b4034e801 [0,1,0,0,0,0|3,0,0]=4 5579 B12R0.268 CS(=O)CCCNCCCC(=O)N e1d935651b2bcc9a9d49a0ed4a9011d3 [0,1,0,0,0,0|3,0,0]=4 5580 B12R0.268 CS(=O)CCNCCCCC(=O)N 70c86e55a5da986afc70d26830518dff [0,1,0,0,0,0|3,0,0]=4 5581 B12R0.268 CS(=O)CCNCCCCC(=O)O a06037ace62be0be241edfdbb47452ab [0,1,0,0,0,0|2,0,0]=3 5582 B12R0.268 CS(=O)CCNCCOCC(=O)O f6d17862140ea926186a7549eb0c7a59 [0,1,0,0,0,0|3,0,0]=4 5583 B12R0.268 CS(=O)CCNCCSCC(=O)O dc4b24a9c3897f6c0fef467f2f3284eb [0,1,0,0,0,0|3,0,0]=4 5584 B12R0.268 CS(=O)CCOCCCCC(=O)N d21751479763b8f5e24c6e3796505ba5 [0,1,0,0,0,0|3,0,0]=4 5585 B12R0.268 CS(=O)CCOCCCCC(=O)O eae54fc6d9293a417846bf5caa7a51e1 [0,1,0,0,0,0|2,0,0]=3 5586 B12R0.268 CS(=O)CCOCCOCC(=O)O dda8b9f2e7a314f5fc251f8c7f076e92 [0,1,0,0,0,0|3,0,0]=4 5587 B12R0.268 C[C@@H](F)COCCCCCC(=O)N 0545725c24a07fe678563e5b758bb2f7 [0,1,0,0,0,0|2,0,0]=3 5588 B12R0.268 C[C@@H](F)COCCCOCC(=O)O 2feaf0d059f0b4196f0d066ea87c6025 [0,1,0,0,0,0|2,0,0]=3 5589 B12R0.268 C[C@@H](F)COCCOCCC(=O)O 5904a6dc63387b0d08aed00390eb06ad [0,1,0,0,0,0|2,0,0]=3 5590 B12R0.268 C[C@@H](O)CCCCNCCC(=O)N 649a97074fe6642c80fc36f7d55f91d5 [0,1,0,0,0,0|2,0,0]=3 5591 B12R0.268 C[C@@H](O)CCCCNCCC(=O)O e56590d53223ed224c1150eed53028bb [0,1,0,0,0,0|1,0,0]=2 5592 B12R0.268 C[C@@H](O)CCCCNCCC(=S)N 36b3c3742582460a89faa218a4be2489 [0,1,0,0,0,0|2,1,0]=4 5593 B12R0.268 C[C@@H](O)CCCCNCCS(=O)C 3458696ceefc0d2f7e92be9b41febcf5 [0,1,0,0,0,0|3,0,0]=4 5594 B12R0.268 C[C@@H](O)CCCCNCCS(=O)O af7db9b763c1d9229c7552c392adcffd [0,1,0,0,0,0|2,0,0]=3 5595 B12R0.268 C[C@@H](O)CCCCNCC[C@@H](C)O 5f35290ceae325998105f691c4a500b2 [0,1,0,0,0,0|2,0,1]=4 5596 B12R0.268 C[C@@H](O)CCNCCCCC(=O)N ffef567f0cb78402672059867e1ea0da [0,1,0,0,0,0|2,0,0]=3 5597 B12R0.268 C[C@@H](O)CCNCCCCC(=O)O 630d478bfcd24b7e330127ab6b0b7b00 [0,1,0,0,0,0|1,0,0]=2 5598 B12R0.268 C[C@@H](O)CCNCCOCC(=O)N 6cb43bcf9042928b70e6d2d4b99fa02a [0,1,0,0,0,0|3,0,0]=4 5599 B12R0.268 C[C@@H](O)CCNCCOCC(=O)O 8ac0d028e968e16f5fffda3b6b4c1e83 [0,1,0,0,0,0|2,0,0]=3 5600 B12R0.268 C[C@@H](O)CNCCCCCC(=O)N 4f04483a050623718de53e0c53123f7d [0,1,0,0,0,0|2,0,0]=3 5601 B12R0.268 C[C@@H](O)CNCCCCCC(=O)O b3b17421345c7969104039a219a6f0c2 [0,1,0,0,0,0|1,0,0]=2 5602 B12R0.268 C[C@@H](O)CNCCCOCC(=O)O 667f66a9f02b20114754635b25d5269d [0,1,0,0,0,0|2,0,0]=3 5603 B12R0.268 C[C@@H](O)CNCCOCCC(=O)O 5f1e2ce6a05523f5c22ac225218cb222 [0,1,0,0,0,0|2,0,0]=3 5604 B12R0.268 C[C@H](F)COCCCCCC(=O)N 1e07ca5ac96112a5a55bb6e7a113dcd7 [0,1,0,0,0,0|2,0,0]=3 5605 B12R0.268 C[C@H](F)COCCCOCC(=O)O 2c11ac5de470556798a8ae566149961a [0,1,0,0,0,0|2,0,0]=3 5606 B12R0.268 C[C@H](F)COCCOCCC(=O)O 9f9af009f34fd583016982f527d3ac57 [0,1,0,0,0,0|2,0,0]=3 5607 B12R0.268 C[C@H](O)CCNCCCCC(=O)N fcc9f44e9ed460e6587a0a5df6afc3bc [0,1,0,0,0,0|2,0,0]=3 5608 B12R0.268 C[C@H](O)CCNCCCCC(=O)O 95f01436583f248ee59b7b0dd120c8f6 [0,1,0,0,0,0|1,0,0]=2 5609 B12R0.268 C[C@H](O)CCNCCCC[C@@H](C)O 1d676069494bdc8e1c586b37627192b4 [0,1,0,0,0,0|2,0,1]=4 5610 B12R0.268 C[C@H](O)CCNCCOCC(=O)N 5bde5245d6563cd469333a9a981e04b8 [0,1,0,0,0,0|3,0,0]=4 5611 B12R0.268 C[C@H](O)CCNCCOCC(=O)O ce0dce1104fa3e5e29be10daf73bf555 [0,1,0,0,0,0|2,0,0]=3 5612 B12R0.268 C[C@H](O)CNCCCCCC(=O)N 83f9297bca31b7a0aa42d6fb02f0b0e1 [0,1,0,0,0,0|2,0,0]=3 5613 B12R0.268 C[C@H](O)CNCCCCCC(=O)O 09705aaad427fbb5507a5d3bd5d06959 [0,1,0,0,0,0|1,0,0]=2 5614 B12R0.268 C[C@H](O)CNCCCOCC(=O)O a95f09722f1bc55db0ba49531eeb5c85 [0,1,0,0,0,0|2,0,0]=3 5615 B12R0.268 C[C@H](O)CNCCOCCC(=O)O 0b7ab1c18719fb81d89c068d5c041c34 [0,1,0,0,0,0|2,0,0]=3 5616 B12R0.268 NC(=O)CCCCCNCC(=O)O 2c4a58674fe84905499731fa6b2632b8 [0,1,0,0,0,0|2,0,1]=4 5617 B12R0.268 NC(=O)CCCCCNCC(F)F a0dfd81dc12ba69af3a3e7d2e2ff8940 [0,1,0,0,0,0|3,0,0]=4 5618 B12R0.268 NC(=O)CCCCCOCC(=O)O 0d991ef18ae89f3e03966676e0655026 [0,1,0,0,0,0|2,0,1]=4 5619 B12R0.268 NC(=O)CCCCCOCC(F)F a180c211ebbae88a11d76080f450732b [0,1,0,0,0,0|3,0,0]=4 5620 B12R0.268 NC(=O)CCCCNCCC(=O)O 80d33d38729a3a046d4f8be5b1e49acb [0,1,0,0,0,0|2,0,1]=4 5621 B12R0.268 NC(=O)CCCCNCCC(F)F 7c9af4bea032159b3421b2fdf7668f24 [0,1,0,0,0,0|3,0,0]=4 5622 B12R0.268 NC(=O)CCCCOCCC(=O)O 29297f440afb9bb292135a5738540149 [0,1,0,0,0,0|2,0,1]=4 5623 B12R0.268 NC(=O)CCCCOCCC(F)F 4c4f32ef4a5474171a3b6905f1f8528e [0,1,0,0,0,0|3,0,0]=4 5624 B12R0.268 NC(=O)CCCNCCCC(=O)O e8ff83120d19d54902ad80d748b67c75 [0,1,0,0,0,0|2,0,1]=4 5625 B12R0.268 NC(=O)CCNCCCCC(=O)O d7860cd8031b205bf576cb16538cb8f0 [0,1,0,0,0,0|2,0,1]=4 5626 B12R0.268 NC(=O)CCNCCCCC(F)F 75bbb8a5477b9b7c6fc9ed701bbd8b86 [0,1,0,0,0,0|3,0,0]=4 5627 B12R0.268 NC(=O)CCOCCCCC(=O)O 85ca2101b24a6204fb89f369f3a3fc28 [0,1,0,0,0,0|2,0,1]=4 5628 B12R0.268 NC(=O)CNCCCCCC(=O)O cc2ed4c935967300ea90821e39c8ae6f [0,1,0,0,0,0|2,0,1]=4 5629 B12R0.268 NC(=O)CNCCCCCC(F)F 68b19b1372c70ee6a8253aca908ad959 [0,1,0,0,0,0|3,0,0]=4 5630 B12R0.268 NC(=O)COCCCCCC(=O)O 005133a534b24e6a8f823a8643c8e09d [0,1,0,0,0,0|2,0,1]=4 5631 B12R0.268 NC(=O)COCCCCCC(F)F 77808bfbca77e3f1d5a883e72d412148 [0,1,0,0,0,0|3,0,0]=4 5632 B12R0.268 NC(=S)CCNCCCCC(=O)O 53f007edb5f09833f5ea6b30fc840090 [0,1,0,0,0,0|2,0,1]=4 5633 B12R0.268 O=C(O)CCCCCNCC(=O)O 04cfb6b4d5ccdcab7965137cc154b40b [0,1,0,0,0,0|2,0,1]=4 5634 B12R0.268 O=C(O)CCCCCNCC(F)F c9e3b52ccf117845a1ffeb0dd529d5d8 [0,1,0,0,0,0|2,0,0]=3 5635 B12R0.268 O=C(O)CCCCCNC[N+](=O)[O-] b3e1db87895ef549fec3ad4be9003d54 [0,1,0,0,0,0|3,0,0]=4 5636 B12R0.268 O=C(O)CCCCCOCC(=O)O b0bbb87cb2a621afd3586b8293fe15c0 [0,1,0,0,0,0|2,0,1]=4 5637 B12R0.268 O=C(O)CCCCCOCC(F)F 44277878f5d0952874d6726c28765715 [0,1,0,0,0,0|2,0,0]=3 5638 B12R0.268 O=C(O)CCCCCOC[N+](=O)[O-] c66231f24ba5c915af53d376740042fe [0,1,0,0,0,0|3,0,0]=4 5639 B12R0.268 O=C(O)CCCCNCCC(=O)O 0a403cf861c780cd6fbcf7eaba8876c2 [0,1,0,0,0,0|2,0,1]=4 5640 B12R0.268 O=C(O)CCCCNCCC(F)F 9e18ae80368a67becc51b4e35061e0a2 [0,1,0,0,0,0|2,0,0]=3 5641 B12R0.268 O=C(O)CCCCOCCC(=O)O 7237591a41e71dad409bd53013654b1d [0,1,0,0,0,0|2,0,1]=4 5642 B12R0.268 O=C(O)CCCCOCCC(F)F 5dea47764c77cf57085670c58017672b [0,1,0,0,0,0|2,0,0]=3 5643 B12R0.268 O=C(O)CCCCOCC[N+](=O)[O-] 21bbfd2387e5fbf9df32ffe42cb7629a [0,1,0,0,0,0|3,0,0]=4 5644 B12R0.268 O=C(O)CCCNCCOC(F)F fdf615fafa7d747fa837a41006c1474d [0,1,0,0,0,0|3,0,0]=4 5645 B12R0.268 O=C(O)CCCOCCOC(F)F dda060b6d01274a5319a86eeb2981fc1 [0,1,0,0,0,0|3,0,0]=4 5646 B12R0.268 O=C(O)CCNCCCCC(F)F c970c9f8d09c9db1c95802f82483821d [0,1,0,0,0,0|2,0,0]=3 5647 B12R0.268 O=C(O)CCNCCCOC(F)F 7f8fd599361327dfe098644d7a971d48 [0,1,0,0,0,0|3,0,0]=4 5648 B12R0.268 O=C(O)CCNCCOCC(F)F bc7aaf8002d362f3823fe56b8108c8e0 [0,1,0,0,0,0|3,0,0]=4 5649 B12R0.268 O=C(O)CCOCCCC[N+](=O)[O-] c8d194b4426106b45ad13de8b15256ea [0,1,0,0,0,0|3,0,0]=4 5650 B12R0.268 O=C(O)CCOCCNCC(F)F 06f44761ad0113a69c6b738c7bae3f19 [0,1,0,0,0,0|3,0,0]=4 5651 B12R0.268 O=C(O)CCOCCOCC(F)F bcc61f6e3d26c9af3afb742eebb508dd [0,1,0,0,0,0|3,0,0]=4 5652 B12R0.268 O=C(O)CNCCCCCC(F)F a5c796b76745ae3b6b9a9aabf2ce3952 [0,1,0,0,0,0|2,0,0]=3 5653 B12R0.268 O=C(O)CNCCCCOC(F)F 3abe6d096711910494e9ae9960bcf918 [0,1,0,0,0,0|3,0,0]=4 5654 B12R0.268 O=C(O)COCCCCCC(F)F 7757df8d3eb27084a8f126159256d096 [0,1,0,0,0,0|2,0,0]=3 5655 B12R0.268 O=C(O)COCCCNCC(F)F d91b842b15674497d0530eec74ab42d2 [0,1,0,0,0,0|3,0,0]=4 5656 B12R0.268 O=C(O)COCCCOCC(F)F cb4fa5e0f8174f822b7143dc983f8df8 [0,1,0,0,0,0|3,0,0]=4 5657 B12R0.268 O=C(O)COCCNCCC(F)F e8ab0c0e26ed21a290e7ae6ecf8817ba [0,1,0,0,0,0|3,0,0]=4 5658 B12R0.268 O=C(O)COCCOCCC(F)F b0060dc0f04d7db761447a7faf9eb705 [0,1,0,0,0,0|3,0,0]=4 5659 B12R0.268 O=S(O)COCCCCCC(F)F 436298e47d712ac415eb56e033cbee88 [0,1,0,0,0,0|3,0,0]=4 5660 B12R0.277 C/C=C/C(C)OCCCCC(=O)O ca27cf5b2ee2e5cf1e4c21ece59648a2 [0,1,0,0,0,0|1,0,2]=4 5661 B12R0.277 C=C(Br)COCCCC(C)CCC 40b8464bf8c180bdf2b8c9d468057864 [0,1,0,0,0,0|3,0,0]=4 5662 B12R0.277 C=C(C)CCCNCC(O)CCC b17f6643af84fd68e5b3fbf7be5adfd3 [0,1,0,0,0,0|3,0,0]=4 5663 B12R0.277 C=C(C)CCCOCC(C)CCC 8e37ef9ce91179190fa4dc72e320f8b3 [0,1,0,0,0,0|3,0,0]=4 5664 B12R0.277 C=C(C)CCOCCC(C)CCC a43ba91bd7f219e650932002f68e836f [0,1,0,0,0,0|3,0,0]=4 5665 B12R0.277 C=C(C)CCOCCC(S)CCC a457be04a65f63d4c4fec94e57d696af [0,1,0,0,0,0|3,0,0]=4 5666 B12R0.277 C=C(C)COCCCC(C)CCC 5067b16603d4c4dbe1cae8eccf4e1917 [0,1,0,0,0,0|3,0,0]=4 5667 B12R0.277 C=C(Cl)COCCCC(C)CCC 7f3f7a2b848b8c4b22cd14301bf8a351 [0,1,0,0,0,0|3,0,0]=4 5668 B12R0.277 C=C(F)COCCCC(C)CCC bd5f50705d4c95763641402784008f4e [0,1,0,0,0,0|3,0,0]=4 5669 B12R0.277 C=CCC(C)CNCCCC(=O)O 03dee889bd743113ef4f6dc0a568c1fe [0,1,0,0,0,0|1,0,2]=4 5670 B12R0.277 C=CCC(C)COCCCC(=O)O b0837992b1b35463c1c483b8bf7491fd [0,1,0,0,0,0|1,0,2]=4 5671 B12R0.277 C=CCC(O)CNCCCC(=O)O f49b033974f5ba775b5d1e9c625f79fd [0,1,0,0,0,0|1,0,2]=4 5672 B12R0.277 C=CCN(C)CCCCCC(=O)O 5c81b07d912d188e550677c3a5225b8c [0,1,0,0,0,0|1,0,2]=4 5673 B12R0.277 CC(=O)CCCCCN(C)CCF 22f763aa9586493a206aa3a55d178bd0 [0,1,0,0,0,0|3,0,0]=4 5674 B12R0.277 CC(=O)CCCCCN(C)CCO 206415b4b53b949356abf20c7486ad1d [0,1,0,0,0,0|3,0,0]=4 5675 B12R0.277 CC(=O)CCCCNC(C)CCO 928d49b929e5406ff06e4368e29493b1 [0,1,0,0,0,0|3,0,0]=4 5676 B12R0.277 CC(=O)CCCCN[C@@H](C)CCO 5fa79eed0356b8e8c43c4ae389686d02 [0,1,0,0,0,0|3,0,0]=4 5677 B12R0.277 CC(=O)CCCCN[C@H](C)CCO 6994d7bac3c304b7c86a6796b1bed0b6 [0,1,0,0,0,0|3,0,0]=4 5678 B12R0.277 CC(=O)CCCNCC(C)CCO c006290a7bd5a9dec41499b19adcc21e [0,1,0,0,0,0|3,0,0]=4 5679 B12R0.277 CC(=O)CCCOC[C@@H](O)CCO 0cd72689226e534bfdee360ddc52b6bd [0,1,0,0,0,0|3,0,0]=4 5680 B12R0.277 CC(CC#N)NCCCCC(=O)O 04195b0c27a88ba462a31b04daf47236 [0,1,0,0,0,0|2,0,1]=4 5681 B12R0.277 CC(CC#N)OCCCCC(=O)O 908d1433e4322238cfb5b528e0761098 [0,1,0,0,0,0|2,0,1]=4 5682 B12R0.277 CC(CCCCCC(=O)O)OCF fc839a492656c57b380e0a59a6ea7f6c [0,1,0,0,0,0|2,0,0]=3 5683 B12R0.277 CC(CCO)CNCCCC(=O)N 7668c7993de2b967e40697f6827ca941 [0,1,0,0,0,0|3,0,0]=4 5684 B12R0.277 CC(CCO)CNCCCC(=O)O a22dac83cffb7417fb820d4ebdcdc0b3 [0,1,0,0,0,0|2,0,0]=3 5685 B12R0.277 CC(CCO)NCCCCC(=O)N c99cbe8b4dee4e6fe591ac98a4935d6d [0,1,0,0,0,0|3,0,0]=4 5686 B12R0.277 CC(CCO)NCCCCC(=O)O 32ebf70a4289d91dc70087d817137f63 [0,1,0,0,0,0|2,0,0]=3 5687 B12R0.277 CC(CCO)NCCOCC(=O)O 18e0643fc074fd6c765e8a9665c3261a [0,1,0,0,0,0|3,0,0]=4 5688 B12R0.277 CC(CCO)NCCSCC(=O)O ff94635ce98f94dae24881248437f27a [0,1,0,0,0,0|3,0,0]=4 5689 B12R0.277 CC=CC(C)OCCCCC(=O)O a702d560cc50112b6a8c53ab1dec1a22 [0,1,0,0,0,0|1,0,2]=4 5690 B12R0.277 CCCC(=O)CNCCCC(=O)N 72af998894645797541cb8db975c3368 [0,1,0,0,0,0|2,0,1]=4 5691 B12R0.277 CCCC(=O)CNCCCC(=O)O e32991f7636f86a3beab14f962a2ee21 [0,1,0,0,0,0|1,0,1]=3 5692 B12R0.277 CCCC(=O)COCCCC(=O)C 3da7cdfec4b00cb21b32b8839e58b887 [0,1,0,0,0,0|2,0,1]=4 5693 B12R0.277 CCCC(=O)COCCCC(=O)N 95586b89c00fd2eeeec75803d75eabb3 [0,1,0,0,0,0|2,0,1]=4 5694 B12R0.277 CCCC(=O)NCCCCC(=O)N af77c9a5c874ca907535496a4bb9fb31 [0,1,0,0,0,0|2,0,1]=4 5695 B12R0.277 CCCC(=O)OCCOCC(=O)O 89933d1110b8ce948602a9794348091c [0,1,0,0,0,0|2,0,1]=4 5696 B12R0.277 CCCC(=O)OCNCCC(=O)O 97fec4354faadaaf08fb19f425c27587 [0,1,0,0,0,0|2,0,1]=4 5697 B12R0.277 CCCC(=O)OCOCCC(=O)O c56a4b85a15880f8b5907394159ffc2a [0,1,0,0,0,0|2,0,1]=4 5698 B12R0.277 CCCC(=S)OCCCCC(=O)C a2e82c96d735074b4c0a092227d3252c [0,1,0,0,0,0|2,0,1]=4 5699 B12R0.277 CCCC(=S)OCCCCC(=O)N 800bf5053b8558c386b96f0525fbd8b5 [0,1,0,0,0,0|2,0,1]=4 5700 B12R0.277 CCCC(=S)OCCCCC(=O)O 6070e263c9934b8f3ce4ebb547e550c1 [0,1,0,0,0,0|1,0,1]=3 5701 B12R0.277 CCCC(=S)OCCOCC(=O)O 75793bdf994aeb860bbfda8228bc4dd6 [0,1,0,0,0,0|2,0,1]=4 5702 B12R0.277 CCCC(C)CCCOCC(=O)N 53ab8b336413f3f68684c00844abc7d8 [0,1,0,0,0,0|2,0,0]=3 5703 B12R0.277 CCCC(C)CCCOCC(=O)O ab89c819830bc48302db4f341b81fd16 [0,1,0,0,0,0|1,0,0]=2 5704 B12R0.277 CCCC(C)CCCOC[N+](=O)[O-] 0493a51dfa81c8bacf314fa0a88245f1 [0,1,0,0,0,0|2,0,1]=4 5705 B12R0.277 CCCC(C)CCOCCC(=O)C 7d337d668c0bb083f9e55599785c65b5 [0,1,0,0,0,0|2,0,0]=3 5706 B12R0.277 CCCC(C)CCOCCC(=O)N 8ba710f794c63969b4b94027dfe379aa [0,1,0,0,0,0|2,0,0]=3 5707 B12R0.277 CCCC(C)CCOCCC(=O)O 03b76b41578e9acaf1e42df292f050c3 [0,1,0,0,0,0|1,0,0]=2 5708 B12R0.277 CCCC(C)CCOCCS(=O)C 1b568bc17bbd0fada45bfe51e033df9f [0,1,0,0,0,0|3,0,0]=4 5709 B12R0.277 CCCC(C)CCOCOC(=O)C 29e523c277f1910d27d92b13d2324521 [0,1,0,0,0,0|3,0,0]=4 5710 B12R0.277 CCCC(C)CCOCSC(=O)N 150fc373b62c20e560313b2e03626179 [0,1,0,0,0,0|3,0,0]=4 5711 B12R0.277 CCCC(C)CNC/C=C/C(=O)O e3b7d264345550151d94f87ca37aa4ef [0,1,0,0,0,0|1,0,2]=4 5712 B12R0.277 CCCC(C)CNCC#CC(=O)O b0fc455a2b27e8dd4e406f6283b44eef [0,1,0,0,0,0|1,0,2]=4 5713 B12R0.277 CCCC(C)CNCC=CC(=O)O 504a2ee6d9546d71bb0867cc95eeae79 [0,1,0,0,0,0|1,0,2]=4 5714 B12R0.277 CCCC(C)CNCCCC(=O)N 166421d840e4e396b29d61acad39ad1d [0,1,0,0,0,0|2,0,0]=3 5715 B12R0.277 CCCC(C)CNCCCC(=O)O d9878a804d5cedea5970c063205c383b [0,1,0,0,0,0|1,0,0]=2 5716 B12R0.277 CCCC(C)CNCCCS(=O)C a2c90ebd17442f4b7fe2d7dcd63f4b87 [0,1,0,0,0,0|3,0,0]=4 5717 B12R0.277 CCCC(C)CNCCNC(=O)C 08a8b92e4f4a1140e6ee6e29da631eed [0,1,0,0,0,0|3,0,0]=4 5718 B12R0.277 CCCC(C)COC/C=C/C(=O)O 057c6008d0ac4092f5d21bc52f9e7a86 [0,1,0,0,0,0|1,0,2]=4 5719 B12R0.277 CCCC(C)COCC#CC(=O)O c2ac945c52252487fe249064092f3e9c [0,1,0,0,0,0|1,0,2]=4 5720 B12R0.277 CCCC(C)COCC=CC(=O)O 34113ed58408d4460ff6b5c11a056283 [0,1,0,0,0,0|1,0,2]=4 5721 B12R0.277 CCCC(C)COCCCC(=O)C 307bf8bfbeafaa85c4668533f056e5af [0,1,0,0,0,0|2,0,0]=3 5722 B12R0.277 CCCC(C)COCCCC(=O)N e6c4d875c140000083b7a4cc5cf017cc [0,1,0,0,0,0|2,0,0]=3 5723 B12R0.277 CCCC(C)COCCC[N+](=O)[O-] 91fcb7a4608ec5f71470a9a22d703fa9 [0,1,0,0,0,0|2,0,1]=4 5724 B12R0.277 CCCC(C)COCCNC(=O)C d8f577c8e772f240e8061689a78cd4dc [0,1,0,0,0,0|3,0,0]=4 5725 B12R0.277 CCCC(C)COCCNC(=O)N 40d1c58068e0f4eefedcd7f49cd5e2e7 [0,1,0,0,0,0|3,0,0]=4 5726 B12R0.277 CCCC(C)COCCOC(=O)C a948ba1e31f3fecdbdc800372e5ac771 [0,1,0,0,0,0|3,0,0]=4 5727 B12R0.277 CCCC(C)COCCSC(=O)C b77ea06ef655e3168594d5d1d0f7476d [0,1,0,0,0,0|3,0,0]=4 5728 B12R0.277 CCCC(C)NCCCCC(=O)C 07fcc618de7add6af85de05eb8b8d96a [0,1,0,0,0,0|2,0,0]=3 5729 B12R0.277 CCCC(C)NCCCCC(=O)N a0a404cd600f4ee17d44e3723db583e3 [0,1,0,0,0,0|2,0,0]=3 5730 B12R0.277 CCCC(C)NCCCCC(=O)O 48d5592d94a45933afd15061689b4048 [0,1,0,0,0,0|1,0,0]=2 5731 B12R0.277 CCCC(C)NCCCCC(C)O 499a1caec8002a613b9d527e927365b7 [0,1,0,0,0,0|2,0,1]=4 5732 B12R0.277 CCCC(C)NCCCC[C@@H](C)O 223e61083955024fa1b57fd6a35cffe0 [0,1,0,0,0,0|2,0,1]=4 5733 B12R0.277 CCCC(C)NCCCNC(=O)C 2cacfb38b3373b6b7dfe0a99ea109aad [0,1,0,0,0,0|3,0,0]=4 5734 B12R0.277 CCCC(C)NCCCOC(=O)C 92062ab10800108874194c56aa72aefd [0,1,0,0,0,0|3,0,0]=4 5735 B12R0.277 CCCC(C)NCCCSC(=O)C aa16ec276cdf34da307d81fc4bc64528 [0,1,0,0,0,0|3,0,0]=4 5736 B12R0.277 CCCC(C)NCCOCC(=O)N a10a9e35f92e639d109a076f8b781652 [0,1,0,0,0,0|3,0,0]=4 5737 B12R0.277 CCCC(C)NCCOCC(=O)O c8172f852b0fc3cb15c512ff098c343e [0,1,0,0,0,0|2,0,0]=3 5738 B12R0.277 CCCC(C)NCCSCC(=O)O ba86e7f0d04d04a1386ddd229e7f44f4 [0,1,0,0,0,0|2,0,0]=3 5739 B12R0.277 CCCC(C)OCCC#CC(=O)O 8999d2fa61b6001a75dbfcb76bde4c68 [0,1,0,0,0,0|1,0,2]=4 5740 B12R0.277 CCCC(C)OCCCCC(=O)C 9dbd5df0d94253a9bce24f8736363f9a [0,1,0,0,0,0|2,0,0]=3 5741 B12R0.277 CCCC(C)OCCCCC(=O)N 3cfc5c252c17158da8c695cfed8abbaf [0,1,0,0,0,0|2,0,0]=3 5742 B12R0.277 CCCC(C)OCCCCC(=O)O 64b544d5e46b90bfc2cfab82f84f620c [0,1,0,0,0,0|1,0,0]=2 5743 B12R0.277 CCCC(C)OCCCC[N+](=O)[O-] 30ae0339624116ab7709eb36f63ee70a [0,1,0,0,0,0|2,0,1]=4 5744 B12R0.277 CCCC(C)OCCCNC(=O)C f4bf7d388889b97daee323d02b8e1537 [0,1,0,0,0,0|3,0,0]=4 5745 B12R0.277 CCCC(C)OCCCOC(=O)C 4ef2c3b2a41b723144673d695097fa0e [0,1,0,0,0,0|3,0,0]=4 5746 B12R0.277 CCCC(C)OCCCSC(=O)C d5131cde20078bbef9ff63e9f915f177 [0,1,0,0,0,0|3,0,0]=4 5747 B12R0.277 CCCC(C)OCCOCC(=O)N 954cd70809922b213f57b4eaab907b68 [0,1,0,0,0,0|3,0,0]=4 5748 B12R0.277 CCCC(C)OCCOCC(=O)O fc2151f1148368d9a458cd9635d4aeef [0,1,0,0,0,0|2,0,0]=3 5749 B12R0.277 CCCC(C)OCCSCC(=O)N cdc969bf9c302028de2152752ef6cfdc [0,1,0,0,0,0|3,0,0]=4 5750 B12R0.277 CCCC(O)CNC/C=C/C(=O)O 2c82e43b04f9ba334874438df938b2ba [0,1,0,0,0,0|1,0,2]=4 5751 B12R0.277 CCCC(O)CNCC=CC(=O)O dba19dc72fad4f18f25d995207a35ace [0,1,0,0,0,0|1,0,2]=4 5752 B12R0.277 CCCC(O)CNCCCC(=O)C 51a4db601bf4021bb9ff9661e3601078 [0,1,0,0,0,0|2,0,0]=3 5753 B12R0.277 CCCC(O)CNCCCC(=O)N 93c8ead05b02ecd3e680d75fb6c9baac [0,1,0,0,0,0|2,0,0]=3 5754 B12R0.277 CCCC(O)CNCCCC(C)O b19245cb20af4074f82f1927a980006b [0,1,0,0,0,0|2,0,1]=4 5755 B12R0.277 CCCC(O)CNCCC[N+](=O)[O-] f5e941c32901104f4ac06b67d6f551d5 [0,1,0,0,0,0|2,0,1]=4 5756 B12R0.277 CCCC(O)CNCCNC(=O)C f3854944f5da8ebb7d8c1c2d7f1985d4 [0,1,0,0,0,0|3,0,0]=4 5757 B12R0.277 CCCC(O)CNCCNC(=O)N 8e91e3a35f9c682edac10243ba1aaf09 [0,1,0,0,0,0|3,0,0]=4 5758 B12R0.277 CCCC(O)CNCCOC(=O)C 7a654098a25c36eefd22e01e7f40089e [0,1,0,0,0,0|3,0,0]=4 5759 B12R0.277 CCCC(O)CNCCSC(=O)C 4419438df821d57ca3b2302d8a7c3599 [0,1,0,0,0,0|3,0,0]=4 5760 B12R0.277 CCCC(S)CCOCCC(=O)C 92771076abdab12a32a3cce84f523584 [0,1,0,0,0,0|2,0,0]=3 5761 B12R0.277 CCCC(S)CCOCCC(=O)N 4310e3a77814582fa9fa56a5bef055ac [0,1,0,0,0,0|2,0,0]=3 5762 B12R0.277 CCCC(S)CCOCCC(=O)O 2371c3233b8a0b51c4111614aa97380a [0,1,0,0,0,0|1,0,0]=2 5763 B12R0.277 CCCC(S)CCOCCS(=O)C 3e9bde6a4f84e15679bfe1829fdab692 [0,1,0,0,0,0|3,0,0]=4 5764 B12R0.277 CCCC(S)CCOCOC(=O)C 1a374d8dae86b9ca4f51f341254d431f [0,1,0,0,0,0|3,0,0]=4 5765 B12R0.277 CCCC(S)CCOCSC(=O)N 27f5df2fbb223c8f18dff425c51ac897 [0,1,0,0,0,0|3,0,0]=4 5766 B12R0.277 CCCN(C)CCCCCC(=O)C c99025986450403871592420fae4cd13 [0,1,0,0,0,0|2,0,0]=3 5767 B12R0.277 CCCN(C)CCCCCC(=O)N e70c537d3af288aec47a6aca65221c05 [0,1,0,0,0,0|2,0,0]=3 5768 B12R0.277 CCCN(C)CCCCOC(=O)C 643a4ecef7f1b61e0c2a1b931b4af848 [0,1,0,0,0,0|3,0,0]=4 5769 B12R0.277 CCCN(C)CCCCSC(=O)C 3c7850071382cf081556bd287d1b05cc [0,1,0,0,0,0|3,0,0]=4 5770 B12R0.277 CCCN(C)CCCOCC(=O)O 155fe109743caee3c21fcf4a99c32d6b [0,1,0,0,0,0|2,0,0]=3 5771 B12R0.277 CCCN(C)CCOCCC(=O)O 6003fa1ea0599b6bd077f2b249b13e1c [0,1,0,0,0,0|2,0,0]=3 5772 B12R0.277 CCC[C@@H](C)OCCCCC(=O)C 7248a6fb31744d0b559a9ff3aaf92f41 [0,1,0,0,0,0|2,0,0]=3 5773 B12R0.277 CCC[C@@H](C)OCCCCC(=O)N 54e0e99969054f0acef2111c1bb75898 [0,1,0,0,0,0|2,0,0]=3 5774 B12R0.277 CCC[C@@H](C)OCCCNC(=O)C 8ae1704a9c159ec2ca1a9260d19ee8a2 [0,1,0,0,0,0|3,0,0]=4 5775 B12R0.277 CCC[C@@H](C)OCCCOC(=O)C b10a1dc0984d4406535d7df42da0bbe7 [0,1,0,0,0,0|3,0,0]=4 5776 B12R0.277 CCC[C@@H](C)OCCCSC(=O)C aa7189b17c07c036d34d09a051f8d8dc [0,1,0,0,0,0|3,0,0]=4 5777 B12R0.277 CCC[C@@H](C)OCCOCC(=O)N 81f428fe8d2a278ae4bc633338c55995 [0,1,0,0,0,0|3,0,0]=4 5778 B12R0.277 CCC[C@@H](C)OCCOCC(=O)O 06e1cc8cce654f9c48b5b3561db3a7a3 [0,1,0,0,0,0|2,0,0]=3 5779 B12R0.277 CCC[C@H](C)NCCCCC(=O)C 11f1e833b6471803045a6df085621226 [0,1,0,0,0,0|2,0,0]=3 5780 B12R0.277 CCC[C@H](C)NCCCCC(=O)N ab2257b91016bb68a3445b125c6d8867 [0,1,0,0,0,0|2,0,0]=3 5781 B12R0.277 CCC[C@H](C)NCCCCC(C)O 0c6cd091dec852273c726a6c8ffb6dd6 [0,1,0,0,0,0|2,0,1]=4 5782 B12R0.277 CCC[C@H](C)NCCCC[C@@H](C)O 71d1542f2b8e67e4608a724095891999 [0,1,0,0,0,0|2,0,1]=4 5783 B12R0.277 CCC[C@H](C)NCCCNC(=O)C 107ff53783f715e24bc41b291a41c66b [0,1,0,0,0,0|3,0,0]=4 5784 B12R0.277 CCC[C@H](C)NCCCOC(=O)C 1bb3ba264020712101952d30dea4eb45 [0,1,0,0,0,0|3,0,0]=4 5785 B12R0.277 CCC[C@H](C)NCCCSC(=O)C f1a94a573740d749c1566935b33c906e [0,1,0,0,0,0|3,0,0]=4 5786 B12R0.277 CCC[C@H](C)NCCOCC(=O)N 48c3aa59266e77b4b6e6af891de82411 [0,1,0,0,0,0|3,0,0]=4 5787 B12R0.277 CCC[C@H](C)NCCOCC(=O)O 5f837281a2dd7d6bdea1acbc54477002 [0,1,0,0,0,0|2,0,0]=3 5788 B12R0.277 CCC[C@H](C)OCCCCC(=O)C ac1027ae345aef78f745b2c44295b221 [0,1,0,0,0,0|2,0,0]=3 5789 B12R0.277 CCC[C@H](C)OCCCCC(=O)N 571049651c52fa6e9d3cece0c44de269 [0,1,0,0,0,0|2,0,0]=3 5790 B12R0.277 CCC[C@H](C)OCCCNC(=O)C 222faa0c57e27d0907e4229bb87c9a89 [0,1,0,0,0,0|3,0,0]=4 5791 B12R0.277 CCC[C@H](C)OCCCOC(=O)C 123591e67e9f8d32269fdb1d9b0f0fb9 [0,1,0,0,0,0|3,0,0]=4 5792 B12R0.277 CCC[C@H](C)OCCCSC(=O)C 7decd22587fb9e6baa42925efb333c94 [0,1,0,0,0,0|3,0,0]=4 5793 B12R0.277 CCC[C@H](C)OCCOCC(=O)N c5f4e7f7561060f0551eead0384ebf0d [0,1,0,0,0,0|3,0,0]=4 5794 B12R0.277 CCC[C@H](C)OCCOCC(=O)O 0ca24c02c31639337d9fcfdf37ed7631 [0,1,0,0,0,0|2,0,0]=3 5795 B12R0.277 CCNC(=O)CCNCCC(=O)O eccfa2f60267b70173c72c78cb3c4e91 [0,1,0,0,0,0|2,0,1]=4 5796 B12R0.277 CCNC(=O)CCOCCC(=O)O 799dc1a9e82cee1b0d94a6ed91b66636 [0,1,0,0,0,0|2,0,1]=4 5797 B12R0.277 CCNC(=O)CNCCCC(=O)O 2b09ae6ce6525418cb8244152a2d50a8 [0,1,0,0,0,0|2,0,1]=4 5798 B12R0.277 CCNC(=O)COCCCC(=O)O 17f25100ba8646762e54caffb03e17e9 [0,1,0,0,0,0|2,0,1]=4 5799 B12R0.277 CCOC(=O)CCCNCC(=O)O a0e53a810a3123c7e9c66d190e472314 [0,1,0,0,0,0|2,0,1]=4 5800 B12R0.277 CCOC(=O)CCCOCC(=O)O 34f36a277e7490f5359221d657baa190 [0,1,0,0,0,0|2,0,1]=4 5801 B12R0.277 CCOC(=O)CCNCCC(=O)O 4d3600b867d933ea6f6a5aa0fc618c8e [0,1,0,0,0,0|2,0,1]=4 5802 B12R0.277 CCOC(=O)CCOCCC(=O)O e35f33fe5126fc840f7a73b366c7de53 [0,1,0,0,0,0|2,0,1]=4 5803 B12R0.277 CCOC(=O)CNCCCC(=O)O bd344e98792a26d874e5aa36a2814470 [0,1,0,0,0,0|2,0,1]=4 5804 B12R0.277 CCOC(C)CCCCCC(=O)O 4f8547feb077b9411df8bda2d38ffd38 [0,1,0,0,0,0|1,0,0]=2 5805 B12R0.277 CCOC(C)CNCCCC(=O)C 91c437d90a60d6e13b01c15ddb540ac0 [0,1,0,0,0,0|3,0,0]=4 5806 B12R0.277 CCOC(C)CNCCCC(=O)N 685b77fcc9d11fcafcd85223613cffeb [0,1,0,0,0,0|3,0,0]=4 5807 B12R0.277 CCOC(C)CNCCCC(=O)O d875fb14b85cddc7d8dc5467d4486c1b [0,1,0,0,0,0|2,0,0]=3 5808 B12R0.277 CCOC(C)COCCCC(=O)C 9930e55fec9db44aa3a5f2fa2bf984dd [0,1,0,0,0,0|3,0,0]=4 5809 B12R0.277 CCOC(C)COCCCC(=O)N ed28c7672d3a1a2da3f6c4cefac1e80c [0,1,0,0,0,0|3,0,0]=4 5810 B12R0.277 CN(CC#N)CCCCCC(=O)O 703dab34286d79d69032a546a4c36354 [0,1,0,0,0,0|2,0,1]=4 5811 B12R0.277 CN(CCF)CCCCCC(=O)N 04ffb82e6da754664f08e45756a3ea17 [0,1,0,0,0,0|3,0,0]=4 5812 B12R0.277 CN(CCF)CCCCCC(=O)O eee73a75a8d1010586b250f02203d3f6 [0,1,0,0,0,0|2,0,0]=3 5813 B12R0.277 CN(CCF)CCCOCC(=O)O 46411ab3c958737cdbfc22b23c8d223f [0,1,0,0,0,0|3,0,0]=4 5814 B12R0.277 CN(CCF)CCOCCC(=O)O 54df9e51c8fa43667f1a57635dcfcf09 [0,1,0,0,0,0|3,0,0]=4 5815 B12R0.277 CN(CCO)CCCCCC(=O)N e11026b421a65a63ce62425e0ed7a97a [0,1,0,0,0,0|3,0,0]=4 5816 B12R0.277 CN(CCO)CCCNCC(=O)O 35d9d86adc1e2550fa51aad837c13467 [0,1,0,0,0,0|3,0,0]=4 5817 B12R0.277 CN(CCO)CCCOCC(=O)O 21176c9960074cc2bd2dcb66a4030c08 [0,1,0,0,0,0|3,0,0]=4 5818 B12R0.277 CN(CCO)CCNCCC(=O)O f55996b4eed357732449ac89a334532f [0,1,0,0,0,0|3,0,0]=4 5819 B12R0.277 CN(CCO)CCOCCC(=O)O d8c84bdbbd4adabe06b55704ef11cdce [0,1,0,0,0,0|3,0,0]=4 5820 B12R0.277 CN(CCS)CCOCCC(=O)O a2d43d41c9c8344fe534150dc4351984 [0,1,0,0,0,0|3,0,0]=4 5821 B12R0.277 COCC(C)COCCCC(=O)C 9d2ead611b533761f77123cfe676cb6a [0,1,0,0,0,0|3,0,0]=4 5822 B12R0.277 COCC(C)NCCCCC(=O)C 3f9af574b92e49a8474d2c23783b2983 [0,1,0,0,0,0|3,0,0]=4 5823 B12R0.277 COCC(C)NCCCCC(=O)N 41ae35f0b84803c08c9422da539109bb [0,1,0,0,0,0|3,0,0]=4 5824 B12R0.277 COCC(C)NCCCCC(=O)O e97cfdd92dcf30d74ca25a1738a59ae6 [0,1,0,0,0,0|2,0,0]=3 5825 B12R0.277 COCC(C)NCCOCC(=O)O f300135b4b7039c5a701ca60d4f8e5a9 [0,1,0,0,0,0|3,0,0]=4 5826 B12R0.277 COCC(C)NCCSCC(=O)O c54e0583b2872c6a9bea94e05a363dfe [0,1,0,0,0,0|3,0,0]=4 5827 B12R0.277 COCC(C)OCCCCC(=O)C 35dde7cb143d1167b71f6d663f9e3f33 [0,1,0,0,0,0|3,0,0]=4 5828 B12R0.277 COCC(C)OCCCCC(=O)N b09c5da3d1b359231f56438e74c2b7b6 [0,1,0,0,0,0|3,0,0]=4 5829 B12R0.277 COCC(C)OCCCCC(=O)O d278c5c9fdb7bdf888dc8930b1c726d5 [0,1,0,0,0,0|2,0,0]=3 5830 B12R0.277 COCC(C)OCCOCC(=O)O 6aea55352a7531fdfad0148970ab73e4 [0,1,0,0,0,0|3,0,0]=4 5831 B12R0.277 COCC(O)CNCCCC(=O)C a5e6941c889b9e74dc2abd3aaa01a4f0 [0,1,0,0,0,0|3,0,0]=4 5832 B12R0.277 COCC(O)CNCCCC(=O)N ddffc3d7f6be0af00d67f7921f333139 [0,1,0,0,0,0|3,0,0]=4 5833 B12R0.277 COCC(O)CNCCCC(=O)O c4d47fc97faa6b01b9fb04b2ec12e4fd [0,1,0,0,0,0|2,0,0]=3 5834 B12R0.277 COCN(C)CCOCCC(=O)O b9a7af88c684174e94dc989cb9f98a45 [0,1,0,0,0,0|3,0,0]=4 5835 B12R0.277 COC[C@@H](C)NCCCCC(=O)C 5490ddece0302279735b0b2b1a505355 [0,1,0,0,0,0|3,0,0]=4 5836 B12R0.277 COC[C@@H](C)NCCCCC(=O)N c0f972842fdd52a60c078ef78c64a42e [0,1,0,0,0,0|3,0,0]=4 5837 B12R0.277 COC[C@@H](C)NCCCCC(=O)O 8805be7357316f1cefd8ea7f2a5be6ea [0,1,0,0,0,0|2,0,0]=3 5838 B12R0.277 COC[C@@H](C)NCCOCC(=O)O c00795414a868cbc23e2dca85aa259c4 [0,1,0,0,0,0|3,0,0]=4 5839 B12R0.277 COC[C@@H](C)OCCCCC(=O)C 23aa0a5e024fb34b319154d14d41dfd4 [0,1,0,0,0,0|3,0,0]=4 5840 B12R0.277 COC[C@@H](C)OCCCCC(=O)N ed42b10fefec47be39a71d31c63021dd [0,1,0,0,0,0|3,0,0]=4 5841 B12R0.277 COC[C@@H](C)OCCOCC(=O)O cd612fb601a8e810754f5ed6623c0566 [0,1,0,0,0,0|3,0,0]=4 5842 B12R0.277 COC[C@@H](O)CNCCCC(=O)C 8ed2eedeb3256de1b29af57679316403 [0,1,0,0,0,0|3,0,0]=4 5843 B12R0.277 COC[C@@H](O)CNCCCC(=O)N 114651075aecebd4e6a16e44a5c94eee [0,1,0,0,0,0|3,0,0]=4 5844 B12R0.277 COC[C@@H](O)CNCCCC(=O)O 99e925e016bb8af79cb0b34047aebdb6 [0,1,0,0,0,0|2,0,0]=3 5845 B12R0.277 COC[C@H](C)COCCCC(=O)C be558f2496c3df92aa6ab0d02f353d15 [0,1,0,0,0,0|3,0,0]=4 5846 B12R0.277 COC[C@H](C)NCCCCC(=O)C a380b805ecf0e69bc65f55419ecf548a [0,1,0,0,0,0|3,0,0]=4 5847 B12R0.277 COC[C@H](C)NCCCCC(=O)N 599a8f3e1f61ea72ee0c952570f173fe [0,1,0,0,0,0|3,0,0]=4 5848 B12R0.277 COC[C@H](C)NCCCCC(=O)O da2897ef08ed4af8c893d8f971f8cc55 [0,1,0,0,0,0|2,0,0]=3 5849 B12R0.277 COC[C@H](C)NCCOCC(=O)O 4cfade46008efe5c52b7e7f42ed146cc [0,1,0,0,0,0|3,0,0]=4 5850 B12R0.277 COC[C@H](C)OCCCCC(=O)C b0d96710671495e7049787185d72a354 [0,1,0,0,0,0|3,0,0]=4 5851 B12R0.277 COC[C@H](C)OCCCCC(=O)N 59213a0906214253165f9c0d3a7770ef [0,1,0,0,0,0|3,0,0]=4 5852 B12R0.277 COC[C@H](C)OCCOCC(=O)O 07f0d76aaecb4f7ff50763ffbae7d700 [0,1,0,0,0,0|3,0,0]=4 5853 B12R0.277 CSCC(C)OCCCCC(=O)C 52b54a11d4ac42f1d0868ecde2697720 [0,1,0,0,0,0|3,0,0]=4 5854 B12R0.277 CSCC(C)OCCCCC(=O)N 7a2cebf7ee76009fa0ad7d7829af0e9f [0,1,0,0,0,0|3,0,0]=4 5855 B12R0.277 CSCC(C)OCCCCC(=O)O dd44371104b7cac3deea4acfd60f96a3 [0,1,0,0,0,0|2,0,0]=3 5856 B12R0.277 CSCC(C)OCCOCC(=O)O 9cff9628dd4ebf151dfce376aa06c5cf [0,1,0,0,0,0|3,0,0]=4 5857 B12R0.277 CSCN(C)CCOCCC(=O)O 437c076ef11bbababd307dfa2e4fd4dc [0,1,0,0,0,0|3,0,0]=4 5858 B12R0.277 C[C@@H](CCO)NCCCCC(=O)N 37150e7bf2683b866a4db121eaf3cf94 [0,1,0,0,0,0|3,0,0]=4 5859 B12R0.277 C[C@@H](CCO)NCCCCC(=O)O 01dab4818877678c994369ecec191c66 [0,1,0,0,0,0|2,0,0]=3 5860 B12R0.277 C[C@@H](CCO)NCCOCC(=O)O 53d78abd62641f1deb435f545eb74d17 [0,1,0,0,0,0|3,0,0]=4 5861 B12R0.277 C[C@H](CCO)NCCCCC(=O)N e022fcfb8a70b3b766a44d09abd6222f [0,1,0,0,0,0|3,0,0]=4 5862 B12R0.277 C[C@H](CCO)NCCCCC(=O)O 2d3c487dd6bc320a297289974fe76933 [0,1,0,0,0,0|2,0,0]=3 5863 B12R0.277 C[C@H](CCO)NCCOCC(=O)O 3cf44e69509c038e1b9040c475c2a516 [0,1,0,0,0,0|3,0,0]=4 5864 B12R0.277 N#CCC(O)CNCCCC(=O)O 667581c6f23b397897991c697023250c [0,1,0,0,0,0|2,0,1]=4 5865 B12R0.277 N#CC[C@@H](O)CNCCCC(=O)O 22a6391a99b697f47a3140d0ee258dea [0,1,0,0,0,0|2,0,1]=4 5866 B12R0.277 N#CC[C@H](O)CNCCCC(=O)O 7c1f1774baa7276ab1ddfa44a5e93490 [0,1,0,0,0,0|2,0,1]=4 5867 B12R0.277 NC(=O)CCCOC[C@@H](O)CCO 0acbea50a6bd43c02dc04110df8458c7 [0,1,0,0,0,0|3,0,0]=4 5868 B12R1.7 C#CCCNCC1CCC(=O)O1 a861a61b184da2871b0b2c2714604e43 [0,0,0,1,0,0|1,0,2]=4 5869 B12R1.7 C#CCCOCC1CCC(=O)O1 c08fe0573197cb823429ff8ded2c6572 [0,0,0,1,0,0|1,0,2]=4 5870 B12R1.7 C#CCCOC[C@@H]1CCC(=O)O1 fb97b728f189dfc8a4e4b8421f1702a1 [0,0,0,1,0,0|1,0,2]=4 5871 B12R1.7 C#CCCOC[C@H]1CCC(=O)O1 bcb872fc1d1037dea5b9576b0fca0c6f [0,0,0,1,0,0|1,0,2]=4 5872 B12R1.7 C/C=C/COCC1CCC(=O)O1 2357cf2881d8a4535e1c957049f3753b [0,0,0,1,0,0|1,0,2]=4 5873 B12R1.7 C/C=C/COC[C@@H]1CCC(=O)O1 8770d1c63ad5c1408e8b306e1566defe [0,0,0,1,0,0|1,0,2]=4 5874 B12R1.7 C/C=C/COC[C@H]1CCC(=O)O1 540ab44fdd378c1eff49e9214b8abaae [0,0,0,1,0,0|1,0,2]=4 5875 B12R1.7 C/C=C\COCC1CCC(=O)O1 d99a6e9b12f4287b35cedb839d588da4 [0,0,0,1,0,0|1,0,2]=4 5876 B12R1.7 C/C=C\COC[C@@H]1CCC(=O)O1 5a710c374eaa5e2710703ef69a57f9e8 [0,0,0,1,0,0|1,0,2]=4 5877 B12R1.7 C/C=C\COC[C@H]1CCC(=O)O1 29a8b95e74216039f560a84bc9b09c86 [0,0,0,1,0,0|1,0,2]=4 5878 B12R1.7 C=CCCNCC1CCC(=O)O1 d4307dc4c7399f21bc4ddb419e5f76d2 [0,0,0,1,0,0|1,0,2]=4 5879 B12R1.7 C=CCCOCC1CCC(=O)O1 93b659876f6905a4dd02172007021eaa [0,0,0,1,0,0|1,0,2]=4 5880 B12R1.7 C=CCCOC[C@@H]1CCC(=O)O1 471146a4583561649bf174b6054b6a21 [0,0,0,1,0,0|1,0,2]=4 5881 B12R1.7 C=CCCOC[C@H]1CCC(=O)O1 1cf82b514e4b2e92de0ac9501bfdb669 [0,0,0,1,0,0|1,0,2]=4 5882 B12R1.7 CC#CCNCC1CCC(=O)O1 382f721c78906363beebc00cf3a1da69 [0,0,0,1,0,0|1,0,2]=4 5883 B12R1.7 CC#CCOCC1CCC(=O)O1 6d7aa2e98be19f79b4c2f0e2a5db8bae [0,0,0,1,0,0|1,0,2]=4 5884 B12R1.7 CC=CCNCC1CCC(=O)O1 7fb5b699cbeab3bd1d9d3c1633426a88 [0,0,0,1,0,0|1,0,2]=4 5885 B12R1.7 CC=CCOCC1CCC(=O)O1 67cfaa2803fa027cd9fa8ab5efcaaf7d [0,0,0,1,0,0|1,0,2]=4 5886 B12R1.7 CCCCCCN1CCC(C1)O 86c753040dfc7917e893490f7d84fe7f [0,0,0,1,0,0|2,0,1]=4 5887 B12R1.7 CCCCCCN1CC[C@@H](C1)O 493e40a4a7df830477e6025cdef1280f [0,0,0,1,0,0|2,0,1]=4 5888 B12R1.7 CCCCCCN1CC[C@H](C1)O 49ac07a6d4400e297d4f5cd35d17cfb5 [0,0,0,1,0,0|2,0,1]=4 5889 B12R1.7 CCCCCCN1CNC(=O)C1 541a01a8e49a04f89e4020d92f061884 [0,0,0,1,0,0|3,0,0]=4 5890 B12R1.7 CCCCCNC1CCC(C1)O c99be5e8b6181f7e8736df3a0532aa6b [0,0,0,1,0,0|2,0,1]=4 5891 B12R1.7 CCCCCNC1CNC(=O)C1 ce4bbd0d7d58c7bdab986a931c094683 [0,0,0,1,0,0|3,0,0]=4 5892 B12R1.7 CCCCCN[C@@H]1CC[C@@H](C1)O 40f486cf2ce31abefefc181b583d9543 [0,0,0,1,0,0|2,0,1]=4 5893 B12R1.7 CCCCCN[C@@H]1CC[C@H](C1)O f347600a436df9a0638a2d71625e4706 [0,0,0,1,0,0|2,0,1]=4 5894 B12R1.7 CCCCCN[C@@H]1CNC(=O)C1 6c1f0c9049ae8ff4060a164ad726ad86 [0,0,0,1,0,0|3,0,0]=4 5895 B12R1.7 CCCCCN[C@H]1CC[C@@H](C1)O f34575264ea99989dc0cbb5c114929d7 [0,0,0,1,0,0|2,0,1]=4 5896 B12R1.7 CCCCCN[C@H]1CC[C@H](C1)O 7c3b4f47eaf0df74e35f6f0d351f9ef8 [0,0,0,1,0,0|2,0,1]=4 5897 B12R1.7 CCCCCN[C@H]1CNC(=O)C1 2870d3e533090b5b5e14fa72cb15ff14 [0,0,0,1,0,0|3,0,0]=4 5898 B12R1.7 CCCCCOC1=CC(=O)CC1 2984e20894b01b349c191501961a2c92 [0,0,0,1,0,0|2,0,1]=4 5899 B12R1.7 CCCCCOC1C=CC(=O)O1 a43f7e2a55d713fcf70b0196b9f1f379 [0,0,0,1,0,0|1,0,2]=4 5900 B12R1.7 CCCCCOC1CCC(=O)C1 49023c98b372362affe65588ab23acd0 [0,0,0,1,0,0|2,0,0]=3 5901 B12R1.7 CCCCCOC1CNC(=O)C1 82588780dd18c03858ec5a8259d071de [0,0,0,1,0,0|3,0,0]=4 5902 B12R1.7 CCCCCOC1COC(=O)C1 418ea627e4ea48a93b6eee1811a01b00 [0,0,0,1,0,0|3,0,0]=4 5903 B12R1.7 CCCCCO[C@@H]1CNC(=O)C1 19f8f37a17c25dd16443296f0ee0dc35 [0,0,0,1,0,0|3,0,0]=4 5904 B12R1.7 CCCCCO[C@@H]1COC(=O)C1 fdbfda67f659e709976656835e7c930b [0,0,0,1,0,0|3,0,0]=4 5905 B12R1.7 CCCCCO[C@H]1CNC(=O)C1 9f709a100f0df63b4ffbbc28db32a27c [0,0,0,1,0,0|3,0,0]=4 5906 B12R1.7 CCCCCO[C@H]1COC(=O)C1 1cf5f8f25c3f0853024d7dd13bfc4c3c [0,0,0,1,0,0|3,0,0]=4 5907 B12R1.7 CCCCNCC1CCC(=O)N1 edc5469b4a26ac87d13f7b1580e728ae [0,0,0,1,0,0|2,0,0]=3 5908 B12R1.7 CCCCNCC1CCC(=O)O1 6cd8011045f3aca64bc8a0d7d982ed52 [0,0,0,1,0,0|1,0,0]=2 5909 B12R1.7 CCCCNCC1CCC(C1)O 97bbeccd7445fbff58481506656f8549 [0,0,0,1,0,0|2,0,1]=4 5910 B12R1.7 CCCCNCC1CNC(=O)C1 2fe4015ffce9853246582cd0bc4ac4db [0,0,0,1,0,0|3,0,0]=4 5911 B12R1.7 CCCCNC[C@@H]1CCC(=O)N1 56375070049cfa12cc8849cd71b802dc [0,0,0,1,0,0|2,0,0]=3 5912 B12R1.7 CCCCNC[C@@H]1CNC(=O)C1 d562ae44d2f513c3c4a77e35aabbb8fe [0,0,0,1,0,0|3,0,0]=4 5913 B12R1.7 CCCCNC[C@H]1CCC(=O)N1 9a1fc622e7b504bc19a70f23468fb887 [0,0,0,1,0,0|2,0,0]=3 5914 B12R1.7 CCCCOCC1C=CC(=O)O1 71e5a849e15a8f3ccda7eccbe9a95a1a [0,0,0,1,0,0|1,0,2]=4 5915 B12R1.7 CCCCOCC1CCC(=O)C1 14f52ea4de436ab0d4a47fa7be44a245 [0,0,0,1,0,0|2,0,0]=3 5916 B12R1.7 CCCCOCC1CCC(=O)N1 39e7560b99137f32a9bd61a09948d047 [0,0,0,1,0,0|2,0,0]=3 5917 B12R1.7 CCCCOCC1CCC(=O)O1 548ccdd9b3c0f85ccc42c7a67107df18 [0,0,0,1,0,0|1,0,0]=2 5918 B12R1.7 CCCCOCC1CCC(O1)C b667273d555a33a45117888e522047f6 [0,0,0,1,0,0|2,0,1]=4 5919 B12R1.7 CCCCOCC1CNC(=O)C1 fa5e1b8ac53b695203974186ebde0f1b [0,0,0,1,0,0|3,0,0]=4 5920 B12R1.7 CCCCOCC1CNC(=O)N1 4f939182e73cd94e149132c20a3164c7 [0,0,0,1,0,0|3,0,0]=4 5921 B12R1.7 CCCCOCC1COC(=O)C1 e8b9fbace0fdc615e8b94cb0728c24c6 [0,0,0,1,0,0|3,0,0]=4 5922 B12R1.7 CCCCOC[C@@H]1C=CC(=O)O1 de0b4bae3c80428b1ec552bf01f754dc [0,0,0,1,0,0|1,0,2]=4 5923 B12R1.7 CCCCOC[C@@H]1CCC(=O)C1 3c3f16d87259e6feaf8aeac7655f11e9 [0,0,0,1,0,0|2,0,0]=3 5924 B12R1.7 CCCCOC[C@@H]1CCC(=O)N1 e592b7247588731ad337c7b110016f13 [0,0,0,1,0,0|2,0,0]=3 5925 B12R1.7 CCCCOC[C@@H]1CCC(=O)O1 958d143e3b3dfa027226aeedee209e8b [0,0,0,1,0,0|1,0,0]=2 5926 B12R1.7 CCCCOC[C@@H]1CC[C@@H](O1)C c141957d8a4a09d91655a7bd9e1ddb9e [0,0,0,1,0,0|2,0,1]=4 5927 B12R1.7 CCCCOC[C@@H]1CNC(=O)C1 d816a5ca005e32544cea289946df6cf1 [0,0,0,1,0,0|3,0,0]=4 5928 B12R1.7 CCCCOC[C@H]1CCC(=O)N1 5924c53cf1b21d892e35e06e39e80649 [0,0,0,1,0,0|2,0,0]=3 5929 B12R1.7 CCCCOC[C@H]1CCC(=O)O1 6e8fd0561526e2bd363323f98b7a38f0 [0,0,0,1,0,0|1,0,0]=2 5930 B12R1.7 CCCCOC[C@H]1CNC(=O)C1 07f346a9db2a2faa87e8f10de5adc130 [0,0,0,1,0,0|3,0,0]=4 5931 B12R1.7 CCCNCCC1COS(=O)O1 451414c648f993bfc689bffb95ff1ba9 [0,0,0,1,0,0|3,0,0]=4 5932 B12R1.7 CCCOCCC1COS(=O)O1 a9078626689eaef348c1f6c919f5e554 [0,0,0,1,0,0|3,0,0]=4 5933 B12R1.7 CCCOCC[C@@H]1CCC(=O)N1 71192caa5ae61a1ff77c3b081c84f69e [0,0,0,1,0,0|2,0,0]=3 5934 B12R1.7 CCOCCOC1CCC(=O)C1 1d00ecf291a67197715673ad2ac7f899 [0,0,0,1,0,0|3,0,0]=4 5935 B12R1.7 CCOCNCC1CCC(=O)N1 a7b2a7982e00263e62d45542979beb5a [0,0,0,1,0,0|3,0,0]=4 5936 B12R1.7 CCOCNC[C@@H]1CCC(=O)N1 ac22ac6a869fdaea939334054f392ba9 [0,0,0,1,0,0|3,0,0]=4 5937 B12R1.7 CCOCNC[C@H]1CCC(=O)N1 500b5fc82c3ba7b1e18e8e8cf9166307 [0,0,0,1,0,0|3,0,0]=4 5938 B12R1.7 CCOCOCC1CCC(=O)C1 78b1eede2bf1c7d6849072d62b4996cd [0,0,0,1,0,0|3,0,0]=4 5939 B12R1.7 CCOCOCC1CCC(=O)N1 dfa45fdda3d7a5fe352a928549365c89 [0,0,0,1,0,0|3,0,0]=4 5940 B12R1.7 CCOCOCC1CCC(=O)O1 486a2c2d3ae95557283746ca41b3faa8 [0,0,0,1,0,0|2,0,0]=3 5941 B12R1.7 CCOCOC[C@@H]1CCC(=O)C1 7281fb1cc9db8383afb48e66b7c2d7be [0,0,0,1,0,0|3,0,0]=4 5942 B12R1.7 CCOCOC[C@@H]1CCC(=O)N1 d37ac35361330e3dfc5bfe0b3e37e58f [0,0,0,1,0,0|3,0,0]=4 5943 B12R1.7 CCOCOC[C@@H]1CCC(=O)O1 78aaf01bb61a6910dda74769d18164d6 [0,0,0,1,0,0|2,0,0]=3 5944 B12R1.7 CCOCOC[C@H]1CCC(=O)N1 6720bdbe3628311481ad1951848b962f [0,0,0,1,0,0|3,0,0]=4 5945 B12R1.7 CCOCOC[C@H]1CCC(=O)O1 9d097b3a1b657c92ad503e0ca9edf644 [0,0,0,1,0,0|2,0,0]=3 5946 B12R1.7 COCCCOC1CCC(=O)C1 24ca7b19cc075643e5e947608204b854 [0,0,0,1,0,0|3,0,0]=4 5947 B12R1.7 COCCNCC1CCC(=O)N1 4b879b7c4a8a7dc480da7dd068691482 [0,0,0,1,0,0|3,0,0]=4 5948 B12R1.7 COCCNCC1CCC(=O)O1 8f6e1f94cf6292fc7faf768f975cd3f8 [0,0,0,1,0,0|2,0,0]=3 5949 B12R1.7 COCCNC[C@@H]1CCC(=O)N1 a2164312524f0b797aef6f481aabcd22 [0,0,0,1,0,0|3,0,0]=4 5950 B12R1.7 COCCNC[C@H]1CCC(=O)N1 9a94e15241b8eb2ab6261ebcd347592f [0,0,0,1,0,0|3,0,0]=4 5951 B12R1.7 COCCOCC1CCC(=O)C1 f819a7aada83d0100d9b104e161be306 [0,0,0,1,0,0|3,0,0]=4 5952 B12R1.7 COCCOCC1CCC(=O)N1 3861434f80f275e8d43f1dc5e957d070 [0,0,0,1,0,0|3,0,0]=4 5953 B12R1.7 COCCOCC1CCC(=O)O1 b0718ebde33417f03fd92ee31f06f479 [0,0,0,1,0,0|2,0,0]=3 5954 B12R1.7 COCCOC[C@@H]1CCC(=O)C1 c1b11988dc9c22b561791874ae015a4e [0,0,0,1,0,0|3,0,0]=4 5955 B12R1.7 COCCOC[C@@H]1CCC(=O)N1 5c811e6918445c5315786e3b2a7a77a6 [0,0,0,1,0,0|3,0,0]=4 5956 B12R1.7 COCCOC[C@@H]1CCC(=O)O1 013f86e0b335e97731e339533acd7f24 [0,0,0,1,0,0|2,0,0]=3 5957 B12R1.7 COCCOC[C@H]1CCC(=O)N1 8ab42e11066e52604103e1d80c3fa05e [0,0,0,1,0,0|3,0,0]=4 5958 B12R1.7 COCCOC[C@H]1CCC(=O)O1 f3114e5456625ea1fb749271e33f81b6 [0,0,0,1,0,0|2,0,0]=3 5959 B12R1.7 COCOCC[C@@H]1CCC(=O)N1 38fa8c215d4e0140e8130ec7cdfbcfbb [0,0,0,1,0,0|3,0,0]=4 5960 B12R1.7 CSCCCOC1CCC(=O)C1 fb8b0c6e9364cd0f1be43f1abfc66c0c [0,0,0,1,0,0|3,0,0]=4 5961 B12R1.7 CSCCNCC1CCC(=O)N1 2bb1253fe4e16a794732652eb1179ed7 [0,0,0,1,0,0|3,0,0]=4 5962 B12R1.7 CSCCNCC1CCC(=O)O1 50a1b89cc398fd60174061481cebac95 [0,0,0,1,0,0|2,0,0]=3 5963 B12R1.7 CSCCNC[C@@H]1CCC(=O)N1 1d8795111d1c084399cda0a319541e1e [0,0,0,1,0,0|3,0,0]=4 5964 B12R1.7 CSCCNC[C@H]1CCC(=O)N1 74873229dafd317b08e82c68d998dc89 [0,0,0,1,0,0|3,0,0]=4 5965 B12R1.7 CSCCOCC1CCC(=O)C1 f658fb0d475e7d08676062e9c49a13b2 [0,0,0,1,0,0|3,0,0]=4 5966 B12R1.7 CSCCOCC1CCC(=O)N1 1f794cfbdeb661711b12f001e699b6eb [0,0,0,1,0,0|3,0,0]=4 5967 B12R1.7 CSCCOCC1CCC(=O)O1 3fd0876bce278bc0db893f4c1a7b74e6 [0,0,0,1,0,0|2,0,0]=3 5968 B12R1.7 CSCCOC[C@@H]1CCC(=O)C1 70f23763a4cd054c1a200722756f5fdf [0,0,0,1,0,0|3,0,0]=4 5969 B12R1.7 CSCCOC[C@@H]1CCC(=O)N1 384d7b39ed96bb53e886053c64075dfe [0,0,0,1,0,0|3,0,0]=4 5970 B12R1.7 CSCCOC[C@@H]1CCC(=O)O1 e5f7f6e111d98381a8ef679930097b29 [0,0,0,1,0,0|2,0,0]=3 5971 B12R1.7 CSCCOC[C@H]1CCC(=O)N1 864d34529d12c04a30176e483810c4fd [0,0,0,1,0,0|3,0,0]=4 5972 B12R1.7 CSCCOC[C@H]1CCC(=O)O1 7fb1ebfae7893192536d21edba0004d9 [0,0,0,1,0,0|2,0,0]=3 5973 B12R1.7 CSCOCC[C@@H]1CCC(=O)N1 adcaef64d46074c2a81ac2405bea8eaf [0,0,0,1,0,0|3,0,0]=4 5974 B12R1.7 N#CCCNCC1CCC(=O)O1 ad91e7642e73c748e6b72a9604a2c122 [0,0,0,1,0,0|2,0,1]=4 5975 B12R1.7 N#CCCOCC1CCC(=O)O1 7cf211e4df448f419f6de6b7c53847dd [0,0,0,1,0,0|2,0,1]=4 5976 B12R1.7 N#CCCOC[C@@H]1CCC(=O)O1 927fd18d8df610460fbe56d251cc42c6 [0,0,0,1,0,0|2,0,1]=4 5977 B12R1.7 N#CCCOC[C@H]1CCC(=O)O1 407d49f69da6f4e678fb898501b711d5 [0,0,0,1,0,0|2,0,1]=4 5978 B12R1.7 NOCCNCC1CCC(=O)O1 2c9005584d8d89a51e45a47389f94ffa [0,0,0,1,0,0|3,0,0]=4 5979 B12R1.7 O=C1CCC(C1)COCCCF 16848afb2f902f2a7d515c8434696bf7 [0,0,0,1,0,0|3,0,0]=4 5980 B12R1.7 O=C1CCC(C1)COCCCS 03f90d8b0fb6ba4704dbce888832f5d8 [0,0,0,1,0,0|3,0,0]=4 5981 B12R1.7 O=C1CCC(C1)OCCCCF 036dd7fde83bee07f93e9bf455a96e3d [0,0,0,1,0,0|3,0,0]=4 5982 B12R1.7 O=C1CCC(N1)CNCCCCl f40d047f09e02bed47f2223b391d121a [0,0,0,1,0,0|3,0,0]=4 5983 B12R1.7 O=C1CCC(N1)CNCCCF 0d9792ebccceab5187c8e66741b7f6fa [0,0,0,1,0,0|3,0,0]=4 5984 B12R1.7 O=C1CCC(N1)CNCCCO 9c0d9c979491fab4c8b4806e478648c6 [0,0,0,1,0,0|3,0,0]=4 5985 B12R1.7 O=C1CCC(N1)CNCCCS a46b488959173dfa94f76241d0d0087d [0,0,0,1,0,0|3,0,0]=4 5986 B12R1.7 O=C1CCC(N1)COCCCF 0a4255068cbe69380c53f39d3c38ab4f [0,0,0,1,0,0|3,0,0]=4 5987 B12R1.7 O=C1CCC(N1)COCCCS 4e4c2b3a0a2674424b72039dcc2dee5d [0,0,0,1,0,0|3,0,0]=4 5988 B12R1.7 O=C1CCC(O1)CNCCCCl 73bcee49122df8eaa3b2bd710d8a6f88 [0,0,0,1,0,0|2,0,0]=3 5989 B12R1.7 O=C1CCC(O1)CNCCCO ebb892de373e6ef9d05446b93922fe39 [0,0,0,1,0,0|2,0,0]=3 5990 B12R1.7 O=C1CCC(O1)COCCCF 68f70e0df921a05bbcd790160a44dac6 [0,0,0,1,0,0|2,0,0]=3 5991 B12R1.7 O=C1CCC(O1)COCCCS c1c1b83af2c9f4f2b3f069091d006560 [0,0,0,1,0,0|2,0,0]=3 5992 B12R1.7 O=C1CC[C@@H](N1)CNCCCCl 64babaa301a6f0f7fba958403396dd54 [0,0,0,1,0,0|3,0,0]=4 5993 B12R1.7 O=C1CC[C@@H](N1)CNCCCF fea0c8a36490a15224d02a4622622f3d [0,0,0,1,0,0|3,0,0]=4 5994 B12R1.7 O=C1CC[C@@H](N1)CNCCCO 611fff7336ef8215fd8213e99338acb7 [0,0,0,1,0,0|3,0,0]=4 5995 B12R1.7 O=C1CC[C@@H](N1)CNCCCS d3f621d5bc12a477b03874a90f83fb90 [0,0,0,1,0,0|3,0,0]=4 5996 B12R1.7 O=C1CC[C@@H](N1)COCCCF bf1d7dc879c8f64c1495d1cd682e1595 [0,0,0,1,0,0|3,0,0]=4 5997 B12R1.7 O=C1CC[C@@H](N1)COCCCS 5f57d6d45effda8b25abf165b2c84859 [0,0,0,1,0,0|3,0,0]=4 5998 B12R1.7 O=C1CC[C@@H](O1)COCCCF 1b60c76290004a5663c6d821e2c49447 [0,0,0,1,0,0|2,0,0]=3 5999 B12R1.7 O=C1CC[C@@H](O1)COCCCS ae9d7d32b09feda099e7954222100eb8 [0,0,0,1,0,0|2,0,0]=3 6000 B12R1.7 O=C1CC[C@H](C1)COCCCF f89098608e4483fd33b5d7945bf4faac [0,0,0,1,0,0|3,0,0]=4 6001 B12R1.7 O=C1CC[C@H](C1)COCCCS 827d2258654d22fe445249c22a65ee0d [0,0,0,1,0,0|3,0,0]=4 6002 B12R1.7 O=C1CC[C@H](N1)CCOCCF 0e4700bcbddbffa220e2e58f7fba17fb [0,0,0,1,0,0|3,0,0]=4 6003 B12R1.7 O=C1CC[C@H](N1)CCOCCS 9144e3679018625581bb55e777724755 [0,0,0,1,0,0|3,0,0]=4 6004 B12R1.7 O=C1CC[C@H](N1)CNCCCCl d28ff62ff2d2bf01a28eaf791019a95c [0,0,0,1,0,0|3,0,0]=4 6005 B12R1.7 O=C1CC[C@H](N1)CNCCCF 8d352eb12d424738db377a3c3e665c0f [0,0,0,1,0,0|3,0,0]=4 6006 B12R1.7 O=C1CC[C@H](N1)CNCCCO 6893d9ce2828b5f294f04a4ad7327dd7 [0,0,0,1,0,0|3,0,0]=4 6007 B12R1.7 O=C1CC[C@H](N1)CNCCCS 3922fad46fe0307abd280365453490fd [0,0,0,1,0,0|3,0,0]=4 6008 B12R1.7 O=C1CC[C@H](N1)COCCCF 182ba181772b84d97dd4ef5042f8f9e3 [0,0,0,1,0,0|3,0,0]=4 6009 B12R1.7 O=C1CC[C@H](N1)COCCCS 883da65a5187fb3e0577313ba403c30c [0,0,0,1,0,0|3,0,0]=4 6010 B12R1.7 O=C1CC[C@H](O1)COCCCF afb4f3f3770497e60dcf37c60edee21c [0,0,0,1,0,0|2,0,0]=3 6011 B12R1.7 O=C1CC[C@H](O1)COCCCS f0373bae578e793f139e3509a4a23f4e [0,0,0,1,0,0|2,0,0]=3 6012 B12R1.7 O=CCCOCC1CCC(=O)O1 40a0d90a9925c8e29ef0f649323a4b00 [0,0,0,1,0,0|2,0,1]=4 6013 B12R1.7 O=CCCOC[C@@H]1CCC(=O)O1 c819e25884afaa6e3146f5a41b388b3d [0,0,0,1,0,0|2,0,1]=4 6014 B12R1.7 O=CCCOC[C@H]1CCC(=O)O1 96d7bac62f2dc21c1fab1ebdef98fbe7 [0,0,0,1,0,0|2,0,1]=4 6015 B12R1.28 CCCCCN1CCCC(=O)C1 e51b80ae756b9d9a19691a7d6d1a8d18 [0,0,0,1,0,0|2,0,0]=3 6016 B12R1.28 CCCCCN1CCCC(C1)O 1876bd10a5663e3bfdca99bc671b3252 [0,0,0,1,0,0|2,0,1]=4 6017 B12R1.28 CCCCCN1CCC[C@@H](C1)O fb299ef9f9162060bc153e2c9986ef09 [0,0,0,1,0,0|2,0,1]=4 6018 B12R1.28 CCCCCN1CCC[C@H](C1)O b1046e9617b96b0692b9b8ea5fcb0300 [0,0,0,1,0,0|2,0,1]=4 6019 B12R1.28 CCCCCN1CCNC(=O)C1 d71fc94f71f437862d025ac8c8b2734b [0,0,0,1,0,0|3,0,0]=4 6020 B12R1.28 CCCCCN1CCOC(=O)C1 7b59bebb6d79e62d43b56b265264a7f8 [0,0,0,1,0,0|3,0,0]=4 6021 B12R1.28 CCCCNC1CCCC(=O)C1 b3434e6ae01328abe266df8a438d00a0 [0,0,0,1,0,0|2,0,0]=3 6022 B12R1.28 CCCCNC1CCCC(C1)O bf80df5a87af324b4cf9f232830e321a [0,0,0,1,0,0|2,0,1]=4 6023 B12R1.28 CCCCNC1CCNC(=O)C1 6d8455654c4c5b07b0f845f3214de95f [0,0,0,1,0,0|3,0,0]=4 6024 B12R1.28 CCCCN[C@@H]1CCC[C@@H](C1)O b76fd47ab15d04e3c310dfd8cccf123f [0,0,0,1,0,0|2,0,1]=4 6025 B12R1.28 CCCCN[C@@H]1CCC[C@H](C1)O 42193708dc97e2cb6c32c077d41fa169 [0,0,0,1,0,0|2,0,1]=4 6026 B12R1.28 CCCCN[C@@H]1CCNC(=O)C1 843bcc771d28a4fbe91a14adad253d55 [0,0,0,1,0,0|3,0,0]=4 6027 B12R1.28 CCCCN[C@H]1CCC[C@@H](C1)O 0bfac2a7eb181db05c9a3be09c312e48 [0,0,0,1,0,0|2,0,1]=4 6028 B12R1.28 CCCCN[C@H]1CCC[C@H](C1)O ad83f71f977642bea0b7531a1512f1f9 [0,0,0,1,0,0|2,0,1]=4 6029 B12R1.28 CCCCN[C@H]1CCNC(=O)C1 54d2d41788df35cfb1772d86404c7831 [0,0,0,1,0,0|3,0,0]=4 6030 B12R1.28 CCCCOC1=CC(=O)CCC1 5d56f0e7fc6d1c862492bdc6eca61010 [0,0,0,1,0,0|2,0,1]=4 6031 B12R1.28 CCCCOC1C=C(CCC1)C e2e43c0cd4f6374a9c4553e97e99e9d0 [0,0,0,1,0,0|3,0,0]=4 6032 B12R1.28 CCCCOC1CCCC(=O)C1 bf043af5b4aeac8f33e9dc0bf6cd4761 [0,0,0,1,0,0|2,0,0]=3 6033 B12R1.28 CCCCOC1CCNC(=O)C1 9132d818902ebe3882639b508c29a80b [0,0,0,1,0,0|3,0,0]=4 6034 B12R1.28 CCCCO[C@@H]1CCNC(=O)C1 74e30496240abbe2d3725fc24db5e80f [0,0,0,1,0,0|3,0,0]=4 6035 B12R1.28 CCCCO[C@H]1CCNC(=O)C1 e1142b7992ef648d1dc34aad56bcf4bb [0,0,0,1,0,0|3,0,0]=4 6036 B12R1.28 CCCNCC1CCCC(=O)N1 a9eaae5aab3cd0e87b11bb0dc817f0d5 [0,0,0,1,0,0|2,0,0]=3 6037 B12R1.28 CCCNCC1CCCC(C1)O 737ffa8c72ce53f79a04fa75e589ae02 [0,0,0,1,0,0|2,0,1]=4 6038 B12R1.28 CCCNCC1CCNC(=O)C1 66b29e23199310c144bf735f8a6747d4 [0,0,0,1,0,0|3,0,0]=4 6039 B12R1.28 CCCNC[C@H]1CCC[C@H](C1)O a3a70b14ee52b3579bfb9e1f898f4604 [0,0,0,1,0,0|2,0,1]=4 6040 B12R1.28 CCCOCC1CCCC(=O)C1 c6e6f3ef9305507b0c23e35e7961f245 [0,0,0,1,0,0|2,0,0]=3 6041 B12R1.28 CCCOCC1CCCC(=O)N1 d5af32a49d0e7a4fa330977d8cfbd2a5 [0,0,0,1,0,0|2,0,0]=3 6042 B12R1.28 CCCOCC1CCNC(=O)C1 dec4975dfa57cd8a09d90e575f5ffb60 [0,0,0,1,0,0|3,0,0]=4 6043 B12R1.28 CCCOCC1COCC(=O)N1 62dceb8b605ac98bfcf6ffaf7b1f44cd [0,0,0,1,0,0|3,0,0]=4 6044 B12R1.28 CCCOC[C@@H]1CCCC(=O)N1 07b3982aee0fc054cb605d90e0ad4c36 [0,0,0,1,0,0|2,0,0]=3 6045 B12R1.28 CCCOC[C@@H]1COCC(=O)N1 99a1cca838f94949b2766e80bf4e5112 [0,0,0,1,0,0|3,0,0]=4 6046 B12R1.28 CCCOC[C@H]1CCCC(=O)N1 be60bf160650b163d22b518bac9c0c02 [0,0,0,1,0,0|2,0,0]=3 6047 B12R1.28 CCCOC[C@H]1COCC(=O)N1 393961166d443c9a55678617bd21bb6d [0,0,0,1,0,0|3,0,0]=4 6048 B12R1.28 CCOCCN1CCCC(=O)C1 9e02a20c17a8e8464184bf5cbff18252 [0,0,0,1,0,0|3,0,0]=4 6049 B12R1.28 CCSCCN1CCCC(=O)C1 82e1997ed04ffcd50a4f12f115b7b645 [0,0,0,1,0,0|3,0,0]=4 6050 B12R1.28 COCCCN1CCCC(=O)C1 2aa5680b08a1e6b29cc1abd6e6cc7add [0,0,0,1,0,0|3,0,0]=4 6051 B12R1.28 COCCNC1CCCC(=O)C1 a31546639f44375468bd3ffd72509015 [0,0,0,1,0,0|3,0,0]=4 6052 B12R1.28 COCCOC1CCCC(=O)C1 e67fe5bd4f655f4a6dbb6199428a92ee [0,0,0,1,0,0|3,0,0]=4 6053 B12R1.28 COCNCC1CCCC(=O)N1 60da5f2a647bfca063268c7da015ba8f [0,0,0,1,0,0|3,0,0]=4 6054 B12R1.28 COCOCC1CCCC(=O)C1 1c43ed51fe176b8fc77b2f229a8a78ce [0,0,0,1,0,0|3,0,0]=4 6055 B12R1.28 COCOCC1CCCC(=O)N1 f5ef95501f2c9654c8d6f86a92c8dd11 [0,0,0,1,0,0|3,0,0]=4 6056 B12R1.28 COCOC[C@@H]1CCCC(=O)N1 b13672b46b270811f0e273cf9cbd7c5b [0,0,0,1,0,0|3,0,0]=4 6057 B12R1.28 COCOC[C@H]1CCCC(=O)N1 98ed857c3fac0400e75845c69dca3dd2 [0,0,0,1,0,0|3,0,0]=4 6058 B12R1.28 CSCCCN1CCCC(=O)C1 986473ce38a13ddc86f46d29d4c1c81d [0,0,0,1,0,0|3,0,0]=4 6059 B12R1.28 CSCCNC1CCCC(=O)C1 8f94e334eddfadd315b06b1c7a806911 [0,0,0,1,0,0|3,0,0]=4 6060 B12R1.28 CSCCOC1CCCC(=O)C1 875ef6ea693168c97b4f53830bebc762 [0,0,0,1,0,0|3,0,0]=4 6061 B12R1.28 CSCNCC1CCCC(=O)N1 593851a7c4afab5d4549724d6c63639e [0,0,0,1,0,0|3,0,0]=4 6062 B12R1.28 CSCOCC1CCCC(=O)C1 e5e1411a8706b14ffeab16ca3dcb8758 [0,0,0,1,0,0|3,0,0]=4 6063 B12R1.28 CSCOCC1CCCC(=O)N1 cb62c6870adf4b7ccdc50bc30987477b [0,0,0,1,0,0|3,0,0]=4 6064 B12R1.28 CSCOC[C@@H]1CCCC(=O)N1 046e295c019ff8af91ac7e2c0be17a36 [0,0,0,1,0,0|3,0,0]=4 6065 B12R1.28 CSCOC[C@H]1CCCC(=O)N1 a07f80dbed35b33650e2ccd100b3cc67 [0,0,0,1,0,0|3,0,0]=4 6066 B12R1.28 O=C1CCCC(C1)COCCF 42ba2b550ad17cb360c4dcb0547ca145 [0,0,0,1,0,0|3,0,0]=4 6067 B12R1.28 O=C1CCCC(C1)COCCS e5963e94e0783e0463c974a9d03e12fa [0,0,0,1,0,0|3,0,0]=4 6068 B12R1.28 O=C1CCCC(C1)NCCCCl 21b1931cefc0f213a4ea4180fa1e914b [0,0,0,1,0,0|3,0,0]=4 6069 B12R1.28 O=C1CCCC(C1)NCCCO fcfb84412452a98820cb8a683deeb35c [0,0,0,1,0,0|3,0,0]=4 6070 B12R1.28 O=C1CCCC(C1)OCCCF 6593c92253b7cb7fb0095b40afaebc86 [0,0,0,1,0,0|3,0,0]=4 6071 B12R1.28 O=C1CCCC(C1)OCCCS 195d2ba0a4094d0dfbce91aa7894b894 [0,0,0,1,0,0|3,0,0]=4 6072 B12R1.28 O=C1CCCC(N1)CNCCF 80fc4cccfaab456a44b5a820f6e42464 [0,0,0,1,0,0|3,0,0]=4 6073 B12R1.28 O=C1CCCC(N1)CNCCO a4e5ff373fbf123fe6f998fe88cd3e62 [0,0,0,1,0,0|3,0,0]=4 6074 B12R1.28 O=C1CCCC(N1)CNCCS 74d9a8569e71148562edae8235db64fa [0,0,0,1,0,0|3,0,0]=4 6075 B12R1.28 O=C1CCCC(N1)COCCF a5c71f6f39046a9a035bf6ef6fb5a1f1 [0,0,0,1,0,0|3,0,0]=4 6076 B12R1.28 O=C1CCCC(N1)COCCS bb4de8c98797c0f21227fd2417ebb0f6 [0,0,0,1,0,0|3,0,0]=4 6077 B12R1.28 O=C1CCCN(C1)CCCCF e8b03ef912415c5f647e67fdb1af11ff [0,0,0,1,0,0|3,0,0]=4 6078 B12R1.28 O=C1CCCN(C1)CCCCO 8d9802ebfb20cc6a23de907d129887ae [0,0,0,1,0,0|3,0,0]=4 6079 B12R1.28 O=C1CCC[C@@H](N1)COCCF 82ad8fb5c89fb5366a51fde7b25dcc4b [0,0,0,1,0,0|3,0,0]=4 6080 B12R1.28 O=C1CCC[C@@H](N1)COCCS a883ae6a7ec038d9fea409897eff3f3c [0,0,0,1,0,0|3,0,0]=4 6081 B12R1.28 O=C1CCC[C@H](N1)COCCF 90c2af8ef563674471211af53991193d [0,0,0,1,0,0|3,0,0]=4 6082 B12R1.28 O=C1CCC[C@H](N1)COCCS ac300f907cd4cc9b71c9914534e79555 [0,0,0,1,0,0|3,0,0]=4 6083 B12R1.62 C#CCCCNCC1CC(=O)O1 5299dbd4bdcfaaad612e47b6b560c8bc [0,0,0,1,0,0|1,0,2]=4 6084 B12R1.62 C#CCCCOCC1CC(=O)O1 6c0d46c66305c2d102f04eb447d167bb [0,0,0,1,0,0|1,0,2]=4 6085 B12R1.62 C/C=C/CCOCC1CC(=O)O1 3a85685083479b36aad278ebc793f11f [0,0,0,1,0,0|1,0,2]=4 6086 B12R1.62 C=C1CC(C1)CNCCCCC 5a65f02a93ec2b599aa1c90b6e3f56b0 [0,0,0,1,0,0|3,0,0]=4 6087 B12R1.62 C=C1CC(C1)COCCCCC 21e0abcf2b2d18d2dc1bcf4287d1e63c [0,0,0,1,0,0|3,0,0]=4 6088 B12R1.62 C=CCCCNCC1CC(=O)O1 42a5908135d9b8a73ff16fdc8d5cda9f [0,0,0,1,0,0|1,0,2]=4 6089 B12R1.62 C=CCCCOCC1CC(=O)O1 485c7e1279737c19f7f104e6bf40ad15 [0,0,0,1,0,0|1,0,2]=4 6090 B12R1.62 CC#CCCOCC1CC(=O)O1 41ed110a77e774f1a42a23b625ae75dd [0,0,0,1,0,0|1,0,2]=4 6091 B12R1.62 CC/C=C/COCC1CC(=O)O1 71948003b8b37773cb0f02a7d7730736 [0,0,0,1,0,0|1,0,2]=4 6092 B12R1.62 CC/C=C\COCC1CC(=O)O1 7d2de6916a598b7d73c08b7fdff9d893 [0,0,0,1,0,0|1,0,2]=4 6093 B12R1.62 CCCCCCCN1CC(C1)O 21208d961ce63cf50b736570900e0b5e [0,0,0,1,0,0|2,0,1]=4 6094 B12R1.62 CCCCCCNC1CC(=O)C1 ac882c5c8b97d937da8427593ea8dda2 [0,0,0,1,0,0|2,0,0]=3 6095 B12R1.62 CCCCCCNC1CC(C1)O cced06f111028f76c0680e5f6d3f8640 [0,0,0,1,0,0|2,0,1]=4 6096 B12R1.62 CCCCCCN[C@H]1C[C@@H](C1)O 5308d9d5ef557a784a3ecee549a5cc12 [0,0,0,1,0,0|2,0,1]=4 6097 B12R1.62 CCCCCCN[C@H]1C[C@H](C1)O 61f7a9d85e87910535bc756c554af22e [0,0,0,1,0,0|2,0,1]=4 6098 B12R1.62 CCCCCCOC1CC(=O)C1 2cd7f90bbace9d85b6a2d2d1bb700c2c [0,0,0,1,0,0|2,0,0]=3 6099 B12R1.62 CCCCCNCC1CC(=O)C1 aa4bb3cf22a9bb2bcf82c4f43ac6b6c0 [0,0,0,1,0,0|2,0,0]=3 6100 B12R1.62 CCCCCNCC1CC(=O)N1 981990dc2fbadef6e366310396a32a54 [0,0,0,1,0,0|2,0,0]=3 6101 B12R1.62 CCCCCNCC1CC(=O)O1 ff6d6a187e16761c4d1a91e2c6c1bcde [0,0,0,1,0,0|1,0,0]=2 6102 B12R1.62 CCCCCNCC1CC(C1)O 1ac7f908f0586508c4eaf7247b828925 [0,0,0,1,0,0|2,0,1]=4 6103 B12R1.62 CCCCCNC[C@H]1C[C@@H](C1)O c5028ccc62811fcafbd4e0026bb2203b [0,0,0,1,0,0|2,0,1]=4 6104 B12R1.62 CCCCCNC[C@H]1C[C@H](C1)O db0495d67160823d6213f78b7c977a76 [0,0,0,1,0,0|2,0,1]=4 6105 B12R1.62 CCCCCOCC1CC(=O)C1 ae46d75230b4b94a7655de6648f931e6 [0,0,0,1,0,0|2,0,0]=3 6106 B12R1.62 CCCCCOCC1CC(=O)N1 98b797dcb2a67c991fa3c462d58b51b8 [0,0,0,1,0,0|2,0,0]=3 6107 B12R1.62 CCCCCOCC1CC(=O)O1 afd83f8ec1447a38903a8d2b07eff09e [0,0,0,1,0,0|1,0,0]=2 6108 B12R1.62 CCCCCOC[C@@H]1CC(=O)N1 c8ff805b632094be475cc05b1a56ba56 [0,0,0,1,0,0|2,0,0]=3 6109 B12R1.62 CCCCCOC[C@H]1CC(=O)N1 6eaf9592c612d0788e0f5f2701853d3c [0,0,0,1,0,0|2,0,0]=3 6110 B12R1.62 CCCOCCOC1CC(=O)C1 2769812730f225cf0a359ea14a547364 [0,0,0,1,0,0|3,0,0]=4 6111 B12R1.62 CCOCCCOC1CC(=O)C1 a59b504eb0ada6c68c13f59094f12cdf [0,0,0,1,0,0|3,0,0]=4 6112 B12R1.62 CCOCCNCC1CC(=O)C1 b055af55230049a47581e1ff503e88e7 [0,0,0,1,0,0|3,0,0]=4 6113 B12R1.62 CCOCCNCC1CC(=O)N1 34c2333ff600aa65bf1d5841c925d0c5 [0,0,0,1,0,0|3,0,0]=4 6114 B12R1.62 CCOCCNCC1CC(=O)O1 0fd5ae6a64109e893cb572e4e3c04eeb [0,0,0,1,0,0|2,0,0]=3 6115 B12R1.62 CCOCCOCC1CC(=O)C1 daed74ae247adefbbc95802593eff18f [0,0,0,1,0,0|3,0,0]=4 6116 B12R1.62 CCOCCOCC1CC(=O)N1 bf78197aa5a64d98f8750f8888bc97e0 [0,0,0,1,0,0|3,0,0]=4 6117 B12R1.62 CCOCCOCC1CC(=O)O1 74d37b25140c98f5c142920c2f6aa50d [0,0,0,1,0,0|2,0,0]=3 6118 B12R1.62 CCOCCOC[C@@H]1CC(=O)N1 b5332494b1999ac23fe11f4283a247de [0,0,0,1,0,0|3,0,0]=4 6119 B12R1.62 CCOCCOC[C@H]1CC(=O)N1 f7707ef0dee8e1ba710040597d6f640a [0,0,0,1,0,0|3,0,0]=4 6120 B12R1.62 CCSCCCOC1CC(=O)C1 f5523506fba3f2a6c867e7a78b388d1f [0,0,0,1,0,0|3,0,0]=4 6121 B12R1.62 CCSCCNCC1CC(=O)C1 ffedb89bc04c1e3e16275c6b142978db [0,0,0,1,0,0|3,0,0]=4 6122 B12R1.62 CCSCCNCC1CC(=O)N1 99c77cc4e8761cb5d06b764e9fb57ea0 [0,0,0,1,0,0|3,0,0]=4 6123 B12R1.62 CCSCCNCC1CC(=O)O1 c393968d2a831bbf38a03683652b5e56 [0,0,0,1,0,0|2,0,0]=3 6124 B12R1.62 CCSCCOCC1CC(=O)C1 baeb043bdf7589094c030d741db4bbdf [0,0,0,1,0,0|3,0,0]=4 6125 B12R1.62 CCSCCOCC1CC(=O)N1 38f323c0f052d7c9c64243337961f601 [0,0,0,1,0,0|3,0,0]=4 6126 B12R1.62 CCSCCOCC1CC(=O)O1 e3483d2723203969379253ee44f4cd25 [0,0,0,1,0,0|2,0,0]=3 6127 B12R1.62 CCSCCOC[C@@H]1CC(=O)N1 f427deb622b8985ef722c34ed961711d [0,0,0,1,0,0|3,0,0]=4 6128 B12R1.62 CCSCCOC[C@H]1CC(=O)N1 412dbabc74cb8d574d500b98c459cc8a [0,0,0,1,0,0|3,0,0]=4 6129 B12R1.62 COCCCCOC1CC(=O)C1 35c6d9d9e82286dcbf8189fdae42cd91 [0,0,0,1,0,0|3,0,0]=4 6130 B12R1.62 COCCCNCC1CC(=O)C1 61b04c52f160251a83bdd8d8f3838ea7 [0,0,0,1,0,0|3,0,0]=4 6131 B12R1.62 COCCCNCC1CC(=O)N1 9270e56d46f4f210c4dd41504b48d18b [0,0,0,1,0,0|3,0,0]=4 6132 B12R1.62 COCCCNCC1CC(=O)O1 eb6fbfb1dd03c80c2e262347021bbfff [0,0,0,1,0,0|2,0,0]=3 6133 B12R1.62 COCCCOCC1CC(=O)C1 e0fe82f9753fb6868311c1eb3db1e548 [0,0,0,1,0,0|3,0,0]=4 6134 B12R1.62 COCCCOCC1CC(=O)N1 8fbbb08501c199e1ecc06b59a4b0e654 [0,0,0,1,0,0|3,0,0]=4 6135 B12R1.62 COCCCOCC1CC(=O)O1 057e8e6f19befc591a29037d8106e1af [0,0,0,1,0,0|2,0,0]=3 6136 B12R1.62 COCCCOC[C@@H]1CC(=O)N1 e2a84a2db82cec767d46034480d21da1 [0,0,0,1,0,0|3,0,0]=4 6137 B12R1.62 COCCCOC[C@H]1CC(=O)N1 a57759dcdb10931a81f825985bb5733c [0,0,0,1,0,0|3,0,0]=4 6138 B12R1.62 CSCCCNCC1CC(=O)C1 dfe6b9a35765d2fd44aff7ef7b804c38 [0,0,0,1,0,0|3,0,0]=4 6139 B12R1.62 CSCCCNCC1CC(=O)N1 807b369688a78c8e0b39904f379b55e9 [0,0,0,1,0,0|3,0,0]=4 6140 B12R1.62 CSCCCNCC1CC(=O)O1 fb25dc1acfd9a488709a80f773869c31 [0,0,0,1,0,0|2,0,0]=3 6141 B12R1.62 CSCCCOCC1CC(=O)C1 65b5f76c86a95700e53ca7af609159a6 [0,0,0,1,0,0|3,0,0]=4 6142 B12R1.62 CSCCCOCC1CC(=O)N1 8f14aa583597b265d4a76eee680b208d [0,0,0,1,0,0|3,0,0]=4 6143 B12R1.62 CSCCCOCC1CC(=O)O1 9761b6420b317930ab55576b502d8b14 [0,0,0,1,0,0|2,0,0]=3 6144 B12R1.62 CSCCCOC[C@@H]1CC(=O)N1 de3ec25b9b55f558c588c4d5768b983c [0,0,0,1,0,0|3,0,0]=4 6145 B12R1.62 CSCCCOC[C@H]1CC(=O)N1 dfa8dde6a58246dd6b057fcad9580281 [0,0,0,1,0,0|3,0,0]=4 6146 B12R1.62 N#CCCCNCC1CC(=O)O1 aebd881ee9be633fb1d5e6552286adcf [0,0,0,1,0,0|2,0,1]=4 6147 B12R1.62 N#CCCCOCC1CC(=O)O1 c5e72e09ea404571aaec27aca0708fab [0,0,0,1,0,0|2,0,1]=4 6148 B12R1.62 O=C1CC(C1)CNCCCCCl 58efb9e8d8c48f286d54b89741ccf027 [0,0,0,1,0,0|3,0,0]=4 6149 B12R1.62 O=C1CC(C1)CNCCCCO 0d4be971266505926570787e675a1ed7 [0,0,0,1,0,0|3,0,0]=4 6150 B12R1.62 O=C1CC(C1)CNCCCCS 11a7123cd4f3d8ceaec84688824de243 [0,0,0,1,0,0|3,0,0]=4 6151 B12R1.62 O=C1CC(C1)COCCCCF c0f3f42f3d1066816f9db72cf1362587 [0,0,0,1,0,0|3,0,0]=4 6152 B12R1.62 O=C1CC(C1)COCCCCS f69877fddfab4a93b71cf4fb6bef293e [0,0,0,1,0,0|3,0,0]=4 6153 B12R1.62 O=C1CC(C1)NCCCCCO c9288b8fffaa4bbabbe686c8569724cd [0,0,0,1,0,0|3,0,0]=4 6154 B12R1.62 O=C1CC(C1)OCCCCCF 9551987dacc243cfc7659c4154f15bb4 [0,0,0,1,0,0|3,0,0]=4 6155 B12R1.62 O=C1CC(N1)CNCCCCCl 92931b28e1ddf07c5b2a8993f2ca686b [0,0,0,1,0,0|3,0,0]=4 6156 B12R1.62 O=C1CC(N1)CNCCCCO 2c05f3ddcfa6232c789a64ce3018c580 [0,0,0,1,0,0|3,0,0]=4 6157 B12R1.62 O=C1CC(N1)CNCCCCS 5424e4a9f455aaa958ebd5e7697df322 [0,0,0,1,0,0|3,0,0]=4 6158 B12R1.62 O=C1CC(N1)COCCCCF 2a74f8c228f602a4eec29afb40027280 [0,0,0,1,0,0|3,0,0]=4 6159 B12R1.62 O=C1CC(N1)COCCCCS 3be752d55811e920db563d5a2fb37aef [0,0,0,1,0,0|3,0,0]=4 6160 B12R1.62 O=C1CC(O1)CNCCCCCl 970d3242d805b1c1b1d442204f94cdc9 [0,0,0,1,0,0|2,0,0]=3 6161 B12R1.62 O=C1CC(O1)CNCCCCO 96cc7336f27c1433957602ab8e3493e3 [0,0,0,1,0,0|2,0,0]=3 6162 B12R1.62 O=C1CC(O1)CNCCCCS 06ee03ed53068abe1e83eb91d3bc8f14 [0,0,0,1,0,0|2,0,0]=3 6163 B12R1.62 O=C1CC(O1)COCCCCF 27f27eacfc770b869bf9ecc49f86af0d [0,0,0,1,0,0|2,0,0]=3 6164 B12R1.62 O=C1CC(O1)COCCCCS caae2cf869405c7b9d0f7aa642c81a9e [0,0,0,1,0,0|2,0,0]=3 6165 B12R1.62 O=C1C[C@@H](N1)COCCCCF d029d40f86b2fc03a8e52180b57cace7 [0,0,0,1,0,0|3,0,0]=4 6166 B12R1.62 O=C1C[C@H](N1)COCCCCF 6d5feaad629507ad141fb23faece665c [0,0,0,1,0,0|3,0,0]=4 6167 B12R1.62 O=CCCCOCC1CC(=O)O1 870ea7af1eecfba1ed4fa73ad5edca06 [0,0,0,1,0,0|2,0,1]=4 6168 B12R1.75 C#CC1CCCCN1CC(=O)O ca02edee913c4e611efe6aa2a6c303d8 [0,0,0,1,0,0|1,0,2]=4 6169 B12R1.75 C=C(Br)CN1CCCCC1CC 0dafb55d5fc9a968b96eb1e99795ca39 [0,0,0,1,0,0|3,0,0]=4 6170 B12R1.75 C=C(Br)CN1CCCC[C@@H]1CC b05a30dc9269481b5372f9c550cd791b [0,0,0,1,0,0|3,0,0]=4 6171 B12R1.75 C=C(Br)CN1CCCC[C@H]1CC d02be964f64637c6728abdc09841ded4 [0,0,0,1,0,0|3,0,0]=4 6172 B12R1.75 C=C(C)CN1CCCCC1CC 96d148ee007527d140c183edbcb0be16 [0,0,0,1,0,0|3,0,0]=4 6173 B12R1.75 C=C(C)CN1CCCC[C@@H]1CC c265d55fc22dc66e7f65a47d579722e7 [0,0,0,1,0,0|3,0,0]=4 6174 B12R1.75 C=C(C)CN1CCCC[C@H]1CC 99c40e27f542b4af530dc64a4b57ed12 [0,0,0,1,0,0|3,0,0]=4 6175 B12R1.75 C=C(Cl)CN1CCCCC1CC 261bb0875115504351f1bb315942870a [0,0,0,1,0,0|3,0,0]=4 6176 B12R1.75 C=C(Cl)CN1CCCC[C@@H]1CC 872cc6f145736c7cddbde831d9a9383a [0,0,0,1,0,0|3,0,0]=4 6177 B12R1.75 C=C(Cl)CN1CCCC[C@H]1CC 8d387867cab5ed8927b6828a4275aa79 [0,0,0,1,0,0|3,0,0]=4 6178 B12R1.75 C=C(F)CN1CCCCC1CC 7dd063f9f19f72381cb9218f3c82f71e [0,0,0,1,0,0|3,0,0]=4 6179 B12R1.75 C=C(F)CN1CCCC[C@@H]1CC f477be4f367e5be3e5d8956839e57bf5 [0,0,0,1,0,0|3,0,0]=4 6180 B12R1.75 C=C(F)CN1CCCC[C@H]1CC 841267e0b605daa9bdbd7e96d814752d [0,0,0,1,0,0|3,0,0]=4 6181 B12R1.75 CC(=O)N[C@@H]1CCCC[C@@H]1CO 8f9e50721c33c6dad55c3f59dec521f5 [0,0,0,1,0,0|3,0,0]=4 6182 B12R1.75 CC(=O)N[C@@H]1CCCC[C@H]1CO d69e950a06bc333a887a9e38e9c7470f [0,0,0,1,0,0|3,0,0]=4 6183 B12R1.75 CC(=O)N[C@H]1CCCC[C@H]1CO 75bd8c242b4a173030c4f053278681fd [0,0,0,1,0,0|3,0,0]=4 6184 B12R1.75 CCC1CCCCN1CC(=O)N b90fec2a018c3ef0e670c92ea2a85560 [0,0,0,1,0,0|2,0,0]=3 6185 B12R1.75 CCC1CCCCN1CC(=O)O 927c1ccdc3bc10095f1cfa6f4f5ae3e1 [0,0,0,1,0,0|1,0,0]=2 6186 B12R1.75 CCC1CCCCN1CC(C)O 910693e156ae677676e1232e551852c8 [0,0,0,1,0,0|2,0,1]=4 6187 B12R1.75 CCC1CCCCN1C[C@@H](C)O 0ed3d06f1d9af2b98bb3e364c1e3afb6 [0,0,0,1,0,0|2,0,1]=4 6188 B12R1.75 CCC1CCCCN1C[C@H](C)O feed4c0a18502f3cffa305cb83c043a0 [0,0,0,1,0,0|2,0,1]=4 6189 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] e05aee4288f61a5cc13c2b6a27a6fd48 [0,0,0,1,0,0|2,0,1]=4 6190 B12R1.75 CCC1COCCC1NC(=O)C 1392d686aaee871e6c17042b6bdb32eb [0,0,0,1,0,0|3,0,0]=4 6191 B12R1.75 CCC1COCCN1CC(=O)N 526c7d207af96c22bef4f5a2383a243f [0,0,0,1,0,0|3,0,0]=4 6192 B12R1.75 CCC1COCCN1CC(=O)O 2507332be47a919629377faf25ec9c92 [0,0,0,1,0,0|2,0,0]=3 6193 B12R1.75 CCN1CCCCC1CC(=O)N ff737a0d71932dbe5f9b856e801737c8 [0,0,0,1,0,0|2,0,0]=3 6194 B12R1.75 CCN1CCCCC1CC(=O)O c3002eeca6985d258459f1a392e0c8f3 [0,0,0,1,0,0|1,0,0]=2 6195 B12R1.75 CCN1CCCC[C@@H]1CC(=O)N 347254b1c4164948510682e3371d45a5 [0,0,0,1,0,0|2,0,0]=3 6196 B12R1.75 CCN1CCCC[C@H]1CC(=O)N 7c35db2ac359baea15c8a74198b11910 [0,0,0,1,0,0|2,0,0]=3 6197 B12R1.75 CCN1CCCC[C@H]1CC(=O)O 22529d59a874477d2e853ae063f37cd0 [0,0,0,1,0,0|1,0,0]=2 6198 B12R1.75 CCN1CCOCC1CC(=O)O 73f6105815655e6bfc87c697622a308d [0,0,0,1,0,0|2,0,0]=3 6199 B12R1.75 CC[C@@H]1CCCCN1CC(=O)N c54d3c87011d4f6e54a8247765ec3d7d [0,0,0,1,0,0|2,0,0]=3 6200 B12R1.75 CC[C@@H]1CCCCN1CC(=O)O 3af3611fb81c94d9cdc25441a542c595 [0,0,0,1,0,0|1,0,0]=2 6201 B12R1.75 CC[C@@H]1CCCCN1CC(C)O b5835df13ad9d9e85850e7dcb1162db7 [0,0,0,1,0,0|2,0,1]=4 6202 B12R1.75 CC[C@@H]1CCCCN1C[C@@H](C)O 17d440d3e2fbe78b2e88074f2b2c2b92 [0,0,0,1,0,0|2,0,1]=4 6203 B12R1.75 CC[C@@H]1CCCCN1C[C@H](C)O 01ba6616d957c772e281bb1abe7dd00c [0,0,0,1,0,0|2,0,1]=4 6204 B12R1.75 CC[C@@H]1CCCCN1C[N+](=O)[O-] c4219ddfae3d824feb293777d2d3ead2 [0,0,0,1,0,0|2,0,1]=4 6205 B12R1.75 CC[C@@H]1COCCN1CC(=O)N a524c7660b85d512568f13e1629c9ffe [0,0,0,1,0,0|3,0,0]=4 6206 B12R1.75 CC[C@@H]1COCCN1CC(=O)O cbc0179a93e4c6e48103b1eab537ad81 [0,0,0,1,0,0|2,0,0]=3 6207 B12R1.75 CC[C@H]1CCCCN1CC(=O)N cf7519c1dde04ad687de8467f1097e7d [0,0,0,1,0,0|2,0,0]=3 6208 B12R1.75 CC[C@H]1CCCCN1CC(=O)O d53cd7f8b90743d8db50d82ed6978893 [0,0,0,1,0,0|1,0,0]=2 6209 B12R1.75 CC[C@H]1CCCCN1CC(C)O ecb9b00f55561fb9493f32ebd5dd0984 [0,0,0,1,0,0|2,0,1]=4 6210 B12R1.75 CC[C@H]1CCCCN1C[C@@H](C)O f7f6d10834db6ef1c04716b77ec96649 [0,0,0,1,0,0|2,0,1]=4 6211 B12R1.75 CC[C@H]1CCCCN1C[C@H](C)O c4294037b1e877830bd27718de73f630 [0,0,0,1,0,0|2,0,1]=4 6212 B12R1.75 CC[C@H]1CCCCN1C[N+](=O)[O-] fc26c1e1386d4f453eb1d5c4824c93be [0,0,0,1,0,0|2,0,1]=4 6213 B12R1.75 CC[C@H]1COCCN1CC(=O)N f5d0eba886ee00da2702f6701d60eb51 [0,0,0,1,0,0|3,0,0]=4 6214 B12R1.75 CC[C@H]1COCCN1CC(=O)O de0cbfc2763ef11a61c31fe09fbff030 [0,0,0,1,0,0|2,0,0]=3 6215 B12R1.75 COC1CCCCC1NC(=O)C dc1c8dae94301addfb335bd3da95b6ec [0,0,0,1,0,0|3,0,0]=4 6216 B12R1.75 CO[C@H]1CCCC[C@@H]1NC(=O)C e667fce05527adb17a821d74d4534c25 [0,0,0,1,0,0|3,0,0]=4 6217 B12R1.75 N#CC1CCCCN1CC(=O)O b600f36cf81ec0c0e96b03d229224f26 [0,0,0,1,0,0|2,0,1]=4 6218 B12R1.75 N#C[C@@H]1CCCCN1CC(=O)O 1d4769910115ae477450eeeb69f2188b [0,0,0,1,0,0|2,0,1]=4 6219 B12R1.75 N#C[C@H]1CCCCN1CC(=O)O 95d25423a6486d09d138641fb8e0b4f1 [0,0,0,1,0,0|2,0,1]=4 6220 B12R1.75 NC(=O)CC1CCCCN1CF 3a9e3d4a626ebca214750114aac2f7a9 [0,0,0,1,0,0|3,0,0]=4 6221 B12R1.75 NC(=O)CC1CCCCN1CO 373a392e234042774b740e22b88d1c38 [0,0,0,1,0,0|3,0,0]=4 6222 B12R1.75 NC(=O)CN1CCCCC1CO 1d1a51508edbee17cb2307060c5a5cb6 [0,0,0,1,0,0|3,0,0]=4 6223 B12R1.75 NC(=O)CN1CCCC[C@@H]1CO 027c972434a2486773f889a9f8c19ee9 [0,0,0,1,0,0|3,0,0]=4 6224 B12R1.75 NC(=O)CN1CCCC[C@H]1CO dbd2d162853676517254e4d1696f1c97 [0,0,0,1,0,0|3,0,0]=4 6225 B12R1.75 NC(=O)C[C@@H]1CCCCN1CF ae83c78b640aa97e8efa7cbae0859937 [0,0,0,1,0,0|3,0,0]=4 6226 B12R1.75 NC(=O)C[C@@H]1CCCCN1CO 310d3657afeacbc51aeb266afe5d4add [0,0,0,1,0,0|3,0,0]=4 6227 B12R1.75 NC(=O)C[C@H]1CCCCN1CF 9698254585ae58d45e20e8e1b058151a [0,0,0,1,0,0|3,0,0]=4 6228 B12R1.75 NC(=O)C[C@H]1CCCCN1CO e7528572a09aeff1a4839a41cee424c0 [0,0,0,1,0,0|3,0,0]=4 6229 B12R1.75 O=C(O)CC1CCCCN1CF d9873bba51903a735e98fed234679270 [0,0,0,1,0,0|2,0,0]=3 6230 B12R1.75 O=C(O)CC1CCCCN1CO a512b66c2706fef5ec5dbf05211c7f15 [0,0,0,1,0,0|2,0,0]=3 6231 B12R1.75 O=C(O)CC1COCCN1CF c828cd584c951702707f0322aa0c3eca [0,0,0,1,0,0|3,0,0]=4 6232 B12R1.75 O=C(O)CC1COCCN1CO 32a25197fc77e252ccc0d1f06c4bb4d2 [0,0,0,1,0,0|3,0,0]=4 6233 B12R1.75 O=C(O)CN1CCCCC1CO 24730fe2a5dad4021a8efbf6bfe6f2f0 [0,0,0,1,0,0|2,0,0]=3 6234 B12R1.75 O=C(O)CN1CCCC[C@@H]1CO f02599132378e21e112fb47f512c0693 [0,0,0,1,0,0|2,0,0]=3 6235 B12R1.75 O=C(O)CN1CCCC[C@H]1CO 2e75eba972cb3b77b831e98b0c2d4876 [0,0,0,1,0,0|2,0,0]=3 6236 B12R1.75 O=C(O)CN1CCOCC1CO 2d2fcbbae45aa2bd518f5805d9148bc4 [0,0,0,1,0,0|3,0,0]=4 6237 B12R1.75 O=C(O)CN1CCOC[C@@H]1CO eb1f13e6edb8a9b989dfe153ad8f5961 [0,0,0,1,0,0|3,0,0]=4 6238 B12R1.75 O=C(O)CN1CCOC[C@H]1CO 5c2d2e53ceda20ef5d2cd1f07d63490e [0,0,0,1,0,0|3,0,0]=4 6239 B12R1.75 O=C(O)C[C@@H]1CCCCN1CF 3b18bcfdbf0bc7d0d3ce7e93874b0b04 [0,0,0,1,0,0|2,0,0]=3 6240 B12R1.75 O=C(O)C[C@@H]1CCCCN1CO aa1a54b51507b3e52b206a6cd96f4ee3 [0,0,0,1,0,0|2,0,0]=3 6241 B12R1.75 O=CC1CCCCN1CC(=O)O 73e0098177836bf54b3c5ac1b2ddb51e [0,0,0,1,0,0|2,0,1]=4 6242 B12R1.81 C#CC1CCCC1OCC(=O)O cabe5cc37c83c3e893f754732ad83149 [0,0,0,1,0,0|1,0,2]=4 6243 B12R1.81 C#CC1CCCN1CCC(=O)O 76f01801b003ad439a8ce7b199c211ca [0,0,0,1,0,0|1,0,2]=4 6244 B12R1.81 C=C(Br)CN[C@@H]1CCC[C@H]1CC 5a8727d86793a19c16e50c78d804c1bd [0,0,0,1,0,0|3,0,0]=4 6245 B12R1.81 C=C(C)CCN1CCCC1CC fe0492efc713a998fcb24934503f85ca [0,0,0,1,0,0|3,0,0]=4 6246 B12R1.81 C=C(C)CCN1CCC[C@H]1CC c928c2450e782d9ce5b8f5274fe032c6 [0,0,0,1,0,0|3,0,0]=4 6247 B12R1.81 C=C(C)CN[C@@H]1CCC[C@H]1CC 0845e46861f5d8147932e19b3ceec47c [0,0,0,1,0,0|3,0,0]=4 6248 B12R1.81 C=C(Cl)CN[C@@H]1CCC[C@H]1CC cf6a790c8ebf53264c21ed89d8000f86 [0,0,0,1,0,0|3,0,0]=4 6249 B12R1.81 C=C(F)CN[C@@H]1CCC[C@H]1CC 5dc856715d35eb55f4a19e32c8e2fcaf [0,0,0,1,0,0|3,0,0]=4 6250 B12R1.81 CC(=O)CCN1CCCC1CO 4c99c5f2967c46758b4326ba09f5e05f [0,0,0,1,0,0|3,0,0]=4 6251 B12R1.81 CC(=O)CCN1CCC[C@@H]1CF c69e6644924464c8c6eef7efcae67794 [0,0,0,1,0,0|3,0,0]=4 6252 B12R1.81 CC(=O)CCN1CCC[C@@H]1CO e31f85cde3a2acb8ce854626b46f7046 [0,0,0,1,0,0|3,0,0]=4 6253 B12R1.81 CC(=O)CCN1CCC[C@H]1CF f8113398810a335c77d375414af239d0 [0,0,0,1,0,0|3,0,0]=4 6254 B12R1.81 CC(=O)CCN1CCC[C@H]1CO f0b58c43fe4b3496f775bd53845d8f68 [0,0,0,1,0,0|3,0,0]=4 6255 B12R1.81 CCC1CCCN1CCC(=O)C 0ee59433c78c4e9f8122814c4aefeeb7 [0,0,0,1,0,0|2,0,0]=3 6256 B12R1.81 CCC1CCCN1CCC(=O)N af3a2da3e70b26225f4303f855a79b73 [0,0,0,1,0,0|2,0,0]=3 6257 B12R1.81 CCC1CCCN1CCC(=O)O 6fd26b1257841ac9411640158a4963ae [0,0,0,1,0,0|1,0,0]=2 6258 B12R1.81 CCC1CCCN1CCC(C)O a8c255eecfe4370d181a792790ba205d [0,0,0,1,0,0|2,0,1]=4 6259 B12R1.81 CCC1CCCN1CCS(=O)C 052c86c508be3eac2eccbb342eb37019 [0,0,0,1,0,0|3,0,0]=4 6260 B12R1.81 CCC1CCCN1COC(=O)C fad71f616d5e23d7373be220cbc40760 [0,0,0,1,0,0|3,0,0]=4 6261 B12R1.81 CCC1CCCN1CSC(=O)N 7d6c5bc9936406d918755ce17133a92d [0,0,0,1,0,0|3,0,0]=4 6262 B12R1.81 CCN1CCCC1CNC(=O)C 9e3412932c826a6e4216c59501804aac [0,0,0,1,0,0|3,0,0]=4 6263 B12R1.81 CCN1CCC[C@@H]1CNC(=O)C 1584cee00c23a7f253469bff9b5fa0f1 [0,0,0,1,0,0|3,0,0]=4 6264 B12R1.81 CCN1CCC[C@H]1CNC(=O)C a91a835f23a52f200c1e13da55cefa70 [0,0,0,1,0,0|3,0,0]=4 6265 B12R1.81 CC[C@@H]1CCCN1CCC(=O)C 756fbf8bb79df748a7ac90833cc5076f [0,0,0,1,0,0|2,0,0]=3 6266 B12R1.81 CC[C@@H]1CCCN1CCC(=O)N 7ce7f19e477a4e0224c61131c98ab50a [0,0,0,1,0,0|2,0,0]=3 6267 B12R1.81 CC[C@@H]1CCCN1CCC(=O)O 05f49e8eeac7fc554f0b84d208ced826 [0,0,0,1,0,0|1,0,0]=2 6268 B12R1.81 CC[C@@H]1CCCN1CCC(C)O a223818565ddefdff549c50747b2e245 [0,0,0,1,0,0|2,0,1]=4 6269 B12R1.81 CC[C@@H]1CCCN1CCS(=O)C f5184a85f5a56ed89cd512d716421da4 [0,0,0,1,0,0|3,0,0]=4 6270 B12R1.81 CC[C@@H]1CCCN1COC(=O)C 1536a460a0ea5b6215a727f2eceffa56 [0,0,0,1,0,0|3,0,0]=4 6271 B12R1.81 CC[C@@H]1CCCN1CSC(=O)N b9e9fa27c52e34976fdef38e4aef5974 [0,0,0,1,0,0|3,0,0]=4 6272 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(=O)N 6d89e3e0e25501ce44dd341bbce014c9 [0,0,0,1,0,0|2,0,0]=3 6273 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(=O)O 9a71e551b56a84dc0fe615135c1bb943 [0,0,0,1,0,0|1,0,0]=2 6274 B12R1.81 CC[C@@H]1CCC[C@H]1NCC(C)O a9f27986c3ce03f302040bc747f5f417 [0,0,0,1,0,0|2,0,1]=4 6275 B12R1.81 CC[C@@H]1CCC[C@H]1NC[C@@H](C)O f775851a9d09523b78db5d46bc04315e [0,0,0,1,0,0|2,0,1]=4 6276 B12R1.81 CC[C@@H]1CCC[C@H]1NC[C@H](C)O 87f4176bfbd37b6a21ca87f79f1b9c38 [0,0,0,1,0,0|2,0,1]=4 6277 B12R1.81 CC[C@@H]1CCC[C@H]1NC[N+](=O)[O-] 1a17b8c6850e4caaea5e40ef7fe3b631 [0,0,0,1,0,0|2,0,1]=4 6278 B12R1.81 COC1CCCC1NCC(=O)N ad99f3cbafda86a62ec49e156b2614a3 [0,0,0,1,0,0|3,0,0]=4 6279 B12R1.81 COC1CCCC1NCC(=O)O 842088ba725dc56a01e6f6ca0ed913e8 [0,0,0,1,0,0|2,0,0]=3 6280 B12R1.81 COC1CCCN1CCC(=O)C a082aff83e662e2ff383bf718538778d [0,0,0,1,0,0|3,0,0]=4 6281 B12R1.81 COC1CCCN1CCC(=O)N 4497fe4ccc226f0e0bc6da21ae7a1896 [0,0,0,1,0,0|3,0,0]=4 6282 B12R1.81 COC1CCCN1CCC(=O)O c83531889a1fa6238395f260deb2b291 [0,0,0,1,0,0|2,0,0]=3 6283 B12R1.81 COC1COCC1NCC(=O)O 464d676bb8afc111de95c29db60c198c [0,0,0,1,0,0|3,0,0]=4 6284 B12R1.81 CO[C@@H]1CCC[C@@H]1NCC(=O)N f5334d16725b462ceebeacd0442a3b94 [0,0,0,1,0,0|3,0,0]=4 6285 B12R1.81 CO[C@@H]1CCC[C@@H]1NCC(=O)O b3114891fe5a4467e1481e6ef4062f61 [0,0,0,1,0,0|2,0,0]=3 6286 B12R1.81 CO[C@@H]1CCC[C@H]1NCC(=O)N 2673cca0520e323f487948774cec6bbf [0,0,0,1,0,0|3,0,0]=4 6287 B12R1.81 CO[C@@H]1CCC[C@H]1NCC(=O)O 25e61c0b7f9d4051c141b2b681938105 [0,0,0,1,0,0|2,0,0]=3 6288 B12R1.81 CO[C@@H]1COC[C@@H]1NCC(=O)O dc0ec17326a51ee36efa8943309dcfbd [0,0,0,1,0,0|3,0,0]=4 6289 B12R1.81 CO[C@@H]1COC[C@H]1NCC(=O)O 911bb0dbe354e850a689389b6c81a65f [0,0,0,1,0,0|3,0,0]=4 6290 B12R1.81 CO[C@H]1CCC[C@@H]1NCC(=O)N 75607b120b6e3513e2cad6d4fee33ec1 [0,0,0,1,0,0|3,0,0]=4 6291 B12R1.81 CO[C@H]1CCC[C@@H]1NCC(=O)O 9ad011ee5e78c0c81a3930bd43d33ebd [0,0,0,1,0,0|2,0,0]=3 6292 B12R1.81 CO[C@H]1COC[C@@H]1NCC(=O)O 79a94f638d5abb4f318e7c78ac72a78d [0,0,0,1,0,0|3,0,0]=4 6293 B12R1.81 CO[C@H]1COC[C@H]1NCC(=O)O 708f8f898e8479d6ab3a475f66df72c1 [0,0,0,1,0,0|3,0,0]=4 6294 B12R1.81 N#CC1CCCC1OCC(=O)O 5122cf68ea672da22669492d97221f0d [0,0,0,1,0,0|2,0,1]=4 6295 B12R1.81 N#CC1CCCN1CCC(=O)O dbcd2892e0c1c4c44097c15ca1c8f74d [0,0,0,1,0,0|2,0,1]=4 6296 B12R1.81 N#C[C@@H]1CCCN1CCC(=O)O d33551e3a79f2aa92639223975acf7a5 [0,0,0,1,0,0|2,0,1]=4 6297 B12R1.81 N#C[C@@H]1CCC[C@@H]1NCC(=O)O 876470149d0332f6e12821920608c772 [0,0,0,1,0,0|2,0,1]=4 6298 B12R1.81 N#C[C@@H]1CCC[C@H]1OCC(=O)O 9d02ad57e6a3238cbb3a5b27a3cdf3eb [0,0,0,1,0,0|2,0,1]=4 6299 B12R1.81 NC(=O)CCN1CCCC1CO 3185b4fd7b878b45043a978c07c703e8 [0,0,0,1,0,0|3,0,0]=4 6300 B12R1.81 NC(=O)CCN1CCC[C@@H]1CF cab8adc46cb50e1b65a29aa9b5b6f554 [0,0,0,1,0,0|3,0,0]=4 6301 B12R1.81 NC(=O)CCN1CCC[C@@H]1CO a9129fa950d29ed3b98a583c77a087c7 [0,0,0,1,0,0|3,0,0]=4 6302 B12R1.81 NC(=O)CCN1CCC[C@H]1CF 0bb272395411a06f5b7465d8b4151b6a [0,0,0,1,0,0|3,0,0]=4 6303 B12R1.81 NC(=O)CCN1CCC[C@H]1CO fb6a10c29172a1820bdf258b04f676e7 [0,0,0,1,0,0|3,0,0]=4 6304 B12R1.81 NC(=O)CN[C@H]1CCC[C@H]1CO 774ae84573a9183e86656e0e08d5f436 [0,0,0,1,0,0|3,0,0]=4 6305 B12R1.81 O=C(O)CCN1CCCC1CO bd34e4b437241d68844e7b11a5d6061d [0,0,0,1,0,0|2,0,0]=3 6306 B12R1.81 O=C(O)CCN1CCC[C@@H]1CF 0a07448ac20c35ce97c77a9184c800e4 [0,0,0,1,0,0|2,0,0]=3 6307 B12R1.81 O=C(O)CCN1CCC[C@@H]1CO b3ac659c89bcd3798a3474ccd2eff0cc [0,0,0,1,0,0|2,0,0]=3 6308 B12R1.81 O=C(O)CCN1CCC[C@H]1CF 8d3467211a21265473d521947d392dcb [0,0,0,1,0,0|2,0,0]=3 6309 B12R1.81 O=C(O)CCN1CCC[C@H]1CO 5cdf2130f5933655bc89de3d74c455a5 [0,0,0,1,0,0|2,0,0]=3 6310 B12R1.81 O=C(O)CNC1COCC1CO 8482861ded4ee09dc2c698090aacad0a [0,0,0,1,0,0|3,0,0]=4 6311 B12R1.81 O=C(O)CN[C@@H]1COC[C@H]1CO 2aaaed5236bc7e721366566c96fd1cfb [0,0,0,1,0,0|3,0,0]=4 6312 B12R1.81 O=C(O)CN[C@H]1CCC[C@H]1CO 606e016ae244f5ae050a92153e9d646c [0,0,0,1,0,0|2,0,0]=3 6313 B12R1.81 O=C(O)CN[C@H]1CSC[C@@H]1CO 5ef7dd6ab6a0bdb6d84df9948a653575 [0,0,0,1,0,0|3,0,0]=4 6314 B12R1.125 C=C(Br)CNC1CCCCC1C 87dcb8a749d04aad2e8f5adf8ddfe6cf [0,0,0,1,0,0|3,0,0]=4 6315 B12R1.125 C=C(Br)CN[C@@H]1CCCC[C@@H]1C a4d64f1bb112960ff89a97452cafd752 [0,0,0,1,0,0|3,0,0]=4 6316 B12R1.125 C=C(Br)CN[C@@H]1CCCC[C@H]1C 94a6ceed794d79cdcf1eca43a9722e06 [0,0,0,1,0,0|3,0,0]=4 6317 B12R1.125 C=C(Br)CN[C@H]1CCCC[C@@H]1C 33b0e70f3f1affd15bfea9753039b7dd [0,0,0,1,0,0|3,0,0]=4 6318 B12R1.125 C=C(Br)CN[C@H]1CCCC[C@H]1C 1aa6d0cb14443470dd2943a5d87dd565 [0,0,0,1,0,0|3,0,0]=4 6319 B12R1.125 C=C(Br)COC1CCCCC1C bdb9f073507cbc6a5e7952bae8af0061 [0,0,0,1,0,0|3,0,0]=4 6320 B12R1.125 C=C(Br)CO[C@@H]1CCCC[C@@H]1C f6fcc7197eb0f650fd2905604ed244e0 [0,0,0,1,0,0|3,0,0]=4 6321 B12R1.125 C=C(Br)CO[C@H]1CCCC[C@@H]1C 4edab6e59fe84116175f1629599ac681 [0,0,0,1,0,0|3,0,0]=4 6322 B12R1.125 C=C(Br)CO[C@H]1CCCC[C@H]1C d6ba02f5c26f7bedee893c73e1e9c32a [0,0,0,1,0,0|3,0,0]=4 6323 B12R1.125 C=C(C)CCN1CCCCC1C 5e3948e378c54a08d74ac3b12e9e243b [0,0,0,1,0,0|3,0,0]=4 6324 B12R1.125 C=C(C)CCN1CCCC[C@@H]1C 4853860152fd175c45aebb26b9f3c584 [0,0,0,1,0,0|3,0,0]=4 6325 B12R1.125 C=C(C)CCN1CCCC[C@H]1C efbf669d9cef146a1e6c8a750c829ef9 [0,0,0,1,0,0|3,0,0]=4 6326 B12R1.125 C=C(C)CNC1CCCCC1C d354e3a7b03f36127b6d934935584bf3 [0,0,0,1,0,0|3,0,0]=4 6327 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@@H]1C aa3cdb38a418ab54b431f16842a75e18 [0,0,0,1,0,0|3,0,0]=4 6328 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1C 49ff88d43cd211b5e40c3fa79d718916 [0,0,0,1,0,0|3,0,0]=4 6329 B12R1.125 C=C(C)CN[C@H]1CCCC[C@@H]1C 6dbfde6e045d7353f1b6058d658365db [0,0,0,1,0,0|3,0,0]=4 6330 B12R1.125 C=C(C)CN[C@H]1CCCC[C@H]1C 1cedbbdff4c21f90dd11a6ce2550a59f [0,0,0,1,0,0|3,0,0]=4 6331 B12R1.125 C=C(C)COC1CCCCC1C c21ae74c6806932443719fd3e10e8ea8 [0,0,0,1,0,0|3,0,0]=4 6332 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@@H]1C ab673181c4a7b9ec245493339d874abb [0,0,0,1,0,0|3,0,0]=4 6333 B12R1.125 C=C(C)CO[C@H]1CCCC[C@@H]1C 30804d0053f65e56d3ca7f6f0172ab4d [0,0,0,1,0,0|3,0,0]=4 6334 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1C c869d5bab3e458a96656f87add14c36e [0,0,0,1,0,0|3,0,0]=4 6335 B12R1.125 C=C(Cl)CNC1CCCCC1C e405a07b7c3c18fae49a6bf6469f330a [0,0,0,1,0,0|3,0,0]=4 6336 B12R1.125 C=C(Cl)CN[C@@H]1CCCC[C@@H]1C 083251580504fcc5ed735a731ada3ca9 [0,0,0,1,0,0|3,0,0]=4 6337 B12R1.125 C=C(Cl)CN[C@@H]1CCCC[C@H]1C 81325e6d7f9938fbbca3a3fa3eeabf7f [0,0,0,1,0,0|3,0,0]=4 6338 B12R1.125 C=C(Cl)CN[C@H]1CCCC[C@@H]1C cbb5d1a656ac3fe3f1ad14456a3705c5 [0,0,0,1,0,0|3,0,0]=4 6339 B12R1.125 C=C(Cl)CN[C@H]1CCCC[C@H]1C a09a2916ffec5fa72d1d3628df1e95c6 [0,0,0,1,0,0|3,0,0]=4 6340 B12R1.125 C=C(Cl)COC1CCCCC1C f095e532beb1d9465e5d06b68305902d [0,0,0,1,0,0|3,0,0]=4 6341 B12R1.125 C=C(Cl)CO[C@@H]1CCCC[C@@H]1C 9d551701085495a5c2b283908a082d98 [0,0,0,1,0,0|3,0,0]=4 6342 B12R1.125 C=C(Cl)CO[C@H]1CCCC[C@@H]1C a78e5b1bf0336b83fd5c66b9a5d40bf8 [0,0,0,1,0,0|3,0,0]=4 6343 B12R1.125 C=C(Cl)CO[C@H]1CCCC[C@H]1C 094133bea9e9985e279bd0bf91a549e4 [0,0,0,1,0,0|3,0,0]=4 6344 B12R1.125 C=C(F)CNC1CCCCC1C 147efa7d66a4e31e9f1c068a45ea754b [0,0,0,1,0,0|3,0,0]=4 6345 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@@H]1C 70b6f34f37b2afd31870638081420b8f [0,0,0,1,0,0|3,0,0]=4 6346 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@H]1C f841c81f75889fc876eb9f5908d91050 [0,0,0,1,0,0|3,0,0]=4 6347 B12R1.125 C=C(F)CN[C@H]1CCCC[C@@H]1C adc5d5361fee7a6f928fd58d9ce5990d [0,0,0,1,0,0|3,0,0]=4 6348 B12R1.125 C=C(F)CN[C@H]1CCCC[C@H]1C 77f5d49e86fd6f2b594e0c62ae303988 [0,0,0,1,0,0|3,0,0]=4 6349 B12R1.125 C=C(F)COC1CCCCC1C 5c135062f5df668d8bf4f4e6c52c8eca [0,0,0,1,0,0|3,0,0]=4 6350 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@@H]1C de2219e8096e4c2bee49e325cefd4394 [0,0,0,1,0,0|3,0,0]=4 6351 B12R1.125 C=C(F)CO[C@H]1CCCC[C@@H]1C a3ce67ca73a9705fba39b1d629528ef7 [0,0,0,1,0,0|3,0,0]=4 6352 B12R1.125 C=C(F)CO[C@H]1CCCC[C@H]1C f88d287c7cf4382b60fe0bb63d408725 [0,0,0,1,0,0|3,0,0]=4 6353 B12R1.125 C=C(I)CO[C@H]1CCCC[C@H]1C e18b3511c894babe966e1be287cb696f [0,0,0,1,0,0|3,0,0]=4 6354 B12R1.125 CC(=O)CCN1CCCCC1C aa745b8f303bbb7710d77a5ea955c557 [0,0,0,1,0,0|2,0,0]=3 6355 B12R1.125 CC(=O)CCN1CCCC[C@@H]1C ec29656b7b61586f32a18528a6b8c70e [0,0,0,1,0,0|2,0,0]=3 6356 B12R1.125 CC(=O)CCN1CCCC[C@H]1C 2620bdaf27a96734997072416d5b0014 [0,0,0,1,0,0|2,0,0]=3 6357 B12R1.125 CC(=O)CCN1CCOCC1C 96d786a988d8de2d7309cbcc588adb14 [0,0,0,1,0,0|3,0,0]=4 6358 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C e68e70c03f6391cc06fa159f55d1dc54 [0,0,0,1,0,0|3,0,0]=4 6359 B12R1.125 CC(=O)CCN1CCOC[C@H]1C 75fdfd24d1450b16db006c72145353c1 [0,0,0,1,0,0|3,0,0]=4 6360 B12R1.125 CC(=O)CNC1CCCCC1F 7d78a70482e7864878e494727152c0f6 [0,0,0,1,0,0|3,0,0]=4 6361 B12R1.125 CC(=O)CNC1CCCCC1O 406cf1374811ea0785bb6958cedaeacf [0,0,0,1,0,0|3,0,0]=4 6362 B12R1.125 CC(=O)CN[C@H]1CCCC[C@@H]1O a1d600d26dcaa0bf6a4d49ea7d4fbbe5 [0,0,0,1,0,0|3,0,0]=4 6363 B12R1.125 CC(=O)CN[C@H]1CCCC[C@H]1C ee102bf7fa95e24028ce4080aed42e05 [0,0,0,1,0,0|2,0,0]=3 6364 B12R1.125 CC(=O)COC1CCCCC1F d3d908bb03a8b6c8761ffc6d949871ca [0,0,0,1,0,0|3,0,0]=4 6365 B12R1.125 CC(=O)CO[C@H]1CCCC[C@H]1C 1dcd57c6fd842f45365c605c58c0076d [0,0,0,1,0,0|2,0,0]=3 6366 B12R1.125 CC(=O)NCC1CCCCC1C a21317628d068bc5e57e9a0774389ae3 [0,0,0,1,0,0|2,0,0]=3 6367 B12R1.125 CC(=O)NCC1CCCCC1O 65cd7f7d0c73c2de1dd34696d3b3510a [0,0,0,1,0,0|3,0,0]=4 6368 B12R1.125 CC(=O)NCC1CCCCN1C 1901aa4bd3855b7a0dc1ef79226d63e6 [0,0,0,1,0,0|3,0,0]=4 6369 B12R1.125 CC(=O)OCN1CCCCC1C 505c2d536cf334657f3635be67c81c9a [0,0,0,1,0,0|3,0,0]=4 6370 B12R1.125 CC(=O)OCN1CCCC[C@@H]1C 4817a7d81240cda975148479d1d24fcc [0,0,0,1,0,0|3,0,0]=4 6371 B12R1.125 CC(=O)OCN1CCCC[C@H]1C 07d6a6c824a693c904bdf4f8f4c581e7 [0,0,0,1,0,0|3,0,0]=4 6372 B12R1.125 CC(O)CCN1CCCCC1C bad134293fe1831ecbd843f9187da699 [0,0,0,1,0,0|2,0,1]=4 6373 B12R1.125 CC(O)CCN1CCCC[C@@H]1C ea2bec3cc0d59644c03de4c497e957be [0,0,0,1,0,0|2,0,1]=4 6374 B12R1.125 CC(O)CCN1CCCC[C@H]1C 2ac4efc97929cf1d83dda89ccc5389c3 [0,0,0,1,0,0|2,0,1]=4 6375 B12R1.125 CC(O)CNC1CCCCC1C 5e046f2405340c55aec81472f170f06a [0,0,0,1,0,0|2,0,1]=4 6376 B12R1.125 CC(O)CN[C@@H]1CCCC[C@@H]1C 83da5b4dd7c84fe52deb2aff8f0c53ed [0,0,0,1,0,0|2,0,1]=4 6377 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1C c823d18dc8661bad69af53f1ccba5285 [0,0,0,1,0,0|2,0,1]=4 6378 B12R1.125 CC(O)CN[C@H]1CCCC[C@@H]1C b3bc463234f9f42ebca891a805635e14 [0,0,0,1,0,0|2,0,1]=4 6379 B12R1.125 CC(O)CN[C@H]1CCCC[C@H]1C fbed6f3c7e2a91fdcfab3b1ef44746c3 [0,0,0,1,0,0|2,0,1]=4 6380 B12R1.125 CC1CCCCC1NCC(=O)N 5cfc7e69138d37f4a4128ea6ab9f27f8 [0,0,0,1,0,0|2,0,0]=3 6381 B12R1.125 CC1CCCCC1NCC(=O)O b09a7a7f6b8cbd436b25a37fb8d89cda [0,0,0,1,0,0|1,0,0]=2 6382 B12R1.125 CC1CCCCC1NC[C@@H](C)O 5ab6c09945e6014cd8be40680fe4ddee [0,0,0,1,0,0|2,0,1]=4 6383 B12R1.125 CC1CCCCC1NC[C@H](C)O adce6b93f3425f6084d231599f861106 [0,0,0,1,0,0|2,0,1]=4 6384 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 6deaaf28ccc7596528c1f7c5995644c1 [0,0,0,1,0,0|2,0,1]=4 6385 B12R1.125 CC1CCCCC1OCC(=O)N 50abbd6e856278b74071b2363300eeb5 [0,0,0,1,0,0|2,0,0]=3 6386 B12R1.125 CC1CCCCC1OCC(=O)O abf18bab3fd3a06a5323de49c56b5de2 [0,0,0,1,0,0|1,0,0]=2 6387 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] d0bd49ff702b873d42589c8b53455c1a [0,0,0,1,0,0|2,0,1]=4 6388 B12R1.125 CC1CCCCN1CCC(=O)N 3231e6c7135dd3eab17ad6f5569cacde [0,0,0,1,0,0|2,0,0]=3 6389 B12R1.125 CC1CCCCN1CCC(=O)O f1ed9228421a1404653422ac85334fbc [0,0,0,1,0,0|1,0,0]=2 6390 B12R1.125 CC1CCCCN1CCS(=O)C 88fe409cfa4f525c0ff35a2aebc29756 [0,0,0,1,0,0|3,0,0]=4 6391 B12R1.125 CC1CCCCN1CSC(=O)N 57a58886bf2f4632e510fe8348f75687 [0,0,0,1,0,0|3,0,0]=4 6392 B12R1.125 CC1COCCC1NCC(=O)N b49df5f47c678780f2adcb62eb04da91 [0,0,0,1,0,0|3,0,0]=4 6393 B12R1.125 CC1COCCC1NCC(=O)O 4805ab86e935798217ac92508a29976a [0,0,0,1,0,0|2,0,0]=3 6394 B12R1.125 CC1COCCC1OCC(=O)N 4ba644e24e7b4f34ce06b96d04e41fb9 [0,0,0,1,0,0|3,0,0]=4 6395 B12R1.125 CC1COCCC1OCC(=O)O 2667790cac15ffe412f1ea5eb208184e [0,0,0,1,0,0|2,0,0]=3 6396 B12R1.125 CC1COCCN1CCC(=O)N a0801522aea095a7c19724c74b83d5c8 [0,0,0,1,0,0|3,0,0]=4 6397 B12R1.125 CC1COCCN1CCC(=O)O 36f599e00b074de02669735b96b9cb14 [0,0,0,1,0,0|2,0,0]=3 6398 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@@H]1C 79e54341626e6841f0d7902d5339567a [0,0,0,1,0,0|2,0,1]=4 6399 B12R1.125 C[C@@H](O)CN[C@H]1CCCC[C@@H]1C 742b1bce7120291189c99f9fb5a31d83 [0,0,0,1,0,0|2,0,1]=4 6400 B12R1.125 C[C@@H]1CCCCN1CCC(=O)N c5b11ab4bd1a4ced7f52b970385ea7a5 [0,0,0,1,0,0|2,0,0]=3 6401 B12R1.125 C[C@@H]1CCCCN1CCC(=O)O a33fdbbb9f1952959ad035ffb902a3f2 [0,0,0,1,0,0|1,0,0]=2 6402 B12R1.125 C[C@@H]1CCCCN1CCS(=O)C 1113bcd821d0e081568647a170b654e5 [0,0,0,1,0,0|3,0,0]=4 6403 B12R1.125 C[C@@H]1CCCCN1CSC(=O)N e3d8bf01f4899b66b870458a2d6d62e8 [0,0,0,1,0,0|3,0,0]=4 6404 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)N f0dec0d4ac1e9b7e25cd4df8e3a85502 [0,0,0,1,0,0|2,0,0]=3 6405 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)O 7632a5bf53c142e4580acf93ede82a57 [0,0,0,1,0,0|1,0,0]=2 6406 B12R1.125 C[C@@H]1CCCC[C@@H]1NC[C@@H](C)O cd1b608c1ae6f291e7af04c7510bc625 [0,0,0,1,0,0|2,0,1]=4 6407 B12R1.125 C[C@@H]1CCCC[C@@H]1NC[N+](=O)[O-] d2d7ed17e350b3b0ada94c33f1978cd3 [0,0,0,1,0,0|2,0,1]=4 6408 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)N afcb7de7fcf23b61de1279e4d2a13827 [0,0,0,1,0,0|2,0,0]=3 6409 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)O 058100008c8586337bed34eca6a04016 [0,0,0,1,0,0|1,0,0]=2 6410 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=S)N e625095601faafa6dc2addfecfbf4c47 [0,0,0,1,0,0|2,1,0]=4 6411 B12R1.125 C[C@@H]1CCCC[C@@H]1OCS(=O)O 88d4051fa9df9390b0ac3de3005dd636 [0,0,0,1,0,0|2,0,0]=3 6412 B12R1.125 C[C@@H]1CCCC[C@@H]1OC[N+](=O)[O-] afc6b70f875abfe437e6e490653d7b03 [0,0,0,1,0,0|2,0,1]=4 6413 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)N aa341aca77a767a42d961c8929486515 [0,0,0,1,0,0|2,0,0]=3 6414 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)O 5c454eb124ce5b3d92889a06237e847f [0,0,0,1,0,0|1,0,0]=2 6415 B12R1.125 C[C@@H]1CCCC[C@H]1NC[C@@H](C)O 48274bc144bc97294656e0c5a076043d [0,0,0,1,0,0|2,0,1]=4 6416 B12R1.125 C[C@@H]1CCCC[C@H]1NC[N+](=O)[O-] 75a93ecb07bdf675d777f340a0a5eb70 [0,0,0,1,0,0|2,0,1]=4 6417 B12R1.125 C[C@@H]1COCCN1CCC(=O)N 3a0ca3a764978333e8e056e583c03736 [0,0,0,1,0,0|3,0,0]=4 6418 B12R1.125 C[C@@H]1COCCN1CCC(=O)O 8c0d19259ba3f07340bf5441f1faffe0 [0,0,0,1,0,0|2,0,0]=3 6419 B12R1.125 C[C@@H]1COCC[C@@H]1NCC(=O)N 0d8f5ecaa54d5e8261e439f8b82ed6d1 [0,0,0,1,0,0|3,0,0]=4 6420 B12R1.125 C[C@@H]1COCC[C@@H]1NCC(=O)O 0ea086e8f4f34c04120aa5dd6e062143 [0,0,0,1,0,0|2,0,0]=3 6421 B12R1.125 C[C@H](O)CN[C@@H]1CCCC[C@@H]1C 2c3089a0b0936eb5f9cbd8ee93641301 [0,0,0,1,0,0|2,0,1]=4 6422 B12R1.125 C[C@H](O)CN[C@@H]1CCCC[C@H]1C f1334fc77028d787efe26b5225e5f77e [0,0,0,1,0,0|2,0,1]=4 6423 B12R1.125 C[C@H](O)CN[C@H]1CCCC[C@@H]1C f224bba2439a70c9d7bfe00a4fee490a [0,0,0,1,0,0|2,0,1]=4 6424 B12R1.125 C[C@H](O)CN[C@H]1CCCC[C@H]1C e8706331985a20e25b837f49a4f653ca [0,0,0,1,0,0|2,0,1]=4 6425 B12R1.125 C[C@H]1CCCCN1CCC(=O)N 085afbea04a93d18a06499a5cbef1bd1 [0,0,0,1,0,0|2,0,0]=3 6426 B12R1.125 C[C@H]1CCCCN1CCC(=O)O c9290f325501f9baa3b2ecc780bc54a2 [0,0,0,1,0,0|1,0,0]=2 6427 B12R1.125 C[C@H]1CCCCN1CCS(=O)C abc132bcb30a1a3fc6ee9794c9857eba [0,0,0,1,0,0|3,0,0]=4 6428 B12R1.125 C[C@H]1CCCCN1CSC(=O)N 32474473e7b4b426392cbf0898234f28 [0,0,0,1,0,0|3,0,0]=4 6429 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)N 25816abb912dbb3352fee53d5ed8f376 [0,0,0,1,0,0|2,0,0]=3 6430 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)O 40f0f18769643cee425fe491ed7a5613 [0,0,0,1,0,0|1,0,0]=2 6431 B12R1.125 C[C@H]1CCCC[C@@H]1NC[N+](=O)[O-] ce8798bb483a679ef8f64430e0186b06 [0,0,0,1,0,0|2,0,1]=4 6432 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)N 046e23297b35629ed2c307011452773b [0,0,0,1,0,0|2,0,0]=3 6433 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)O 044aed10f4c3c89ecd76d791a1612e14 [0,0,0,1,0,0|1,0,0]=2 6434 B12R1.125 C[C@H]1CCCC[C@@H]1OC[N+](=O)[O-] cb78f0195c589468bfec51c9e6e54a9f [0,0,0,1,0,0|2,0,1]=4 6435 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)N 018f82303c03a999909785f0ffa1b3ee [0,0,0,1,0,0|2,0,0]=3 6436 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)O 0ab6a34fb8a428f99e931db1915c7a5d [0,0,0,1,0,0|1,0,0]=2 6437 B12R1.125 C[C@H]1CCCC[C@H]1NC[N+](=O)[O-] 8071b95554ab2a0afcc879b5dd2edee6 [0,0,0,1,0,0|2,0,1]=4 6438 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)N d3534d09aff0842b73bbe01f2e14bec9 [0,0,0,1,0,0|2,0,0]=3 6439 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)O 4ba3c5ece2b751a10a26e800b7b556bd [0,0,0,1,0,0|1,0,0]=2 6440 B12R1.125 C[C@H]1CCCC[C@H]1OC[N+](=O)[O-] 52c69a5104c0cc5a61a71346fa84595d [0,0,0,1,0,0|2,0,1]=4 6441 B12R1.125 C[C@H]1COCCN1CCC(=O)N 9b0d7ffaad2f9bf12c6a62d683e121e4 [0,0,0,1,0,0|3,0,0]=4 6442 B12R1.125 C[C@H]1COCCN1CCC(=O)O cb9ecc52fbf6e04eba94c025427c369a [0,0,0,1,0,0|2,0,0]=3 6443 B12R1.125 C[C@H]1COCC[C@H]1NCC(=O)N b148b7e7f33efb2286c6ee709e194a83 [0,0,0,1,0,0|3,0,0]=4 6444 B12R1.125 C[C@H]1COCC[C@H]1NCC(=O)O a92b08b02ce60c853d2a24b2f419159e [0,0,0,1,0,0|2,0,0]=3 6445 B12R1.125 NC(=O)CNC1CCCCC1F 71bf5c0f994adca2d3376a7aba5edd86 [0,0,0,1,0,0|3,0,0]=4 6446 B12R1.125 NC(=O)CNC1CCCCC1O a99c2914c824cc0295fc53be9000b9a1 [0,0,0,1,0,0|3,0,0]=4 6447 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1O a443be34c6aeabf5f3f992b747d90366 [0,0,0,1,0,0|3,0,0]=4 6448 B12R1.125 NC(=O)CN[C@H]1CCCC[C@@H]1O f07702f6cb1b17640331a93308c974c2 [0,0,0,1,0,0|3,0,0]=4 6449 B12R1.125 NC(=O)CN[C@H]1CCCC[C@H]1O b29f6cf1e70a1ba78c2e866085f574bf [0,0,0,1,0,0|3,0,0]=4 6450 B12R1.125 NC(=O)COC1CCCCC1F 9e1d6389c4f6e68012ff489fb667fdb4 [0,0,0,1,0,0|3,0,0]=4 6451 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F bbf7af7cd9d3b43f7ce1e20b59215335 [0,0,0,1,0,0|3,0,0]=4 6452 B12R1.125 O=C(O)CNC1CCCCC1F 0fe76f7b862f12575645294fdaa05021 [0,0,0,1,0,0|2,0,0]=3 6453 B12R1.125 O=C(O)CNC1CCCCC1O 2cd4bfe0f72606ee80ce52d63c64ed6e [0,0,0,1,0,0|2,0,0]=3 6454 B12R1.125 O=C(O)CNC1CCOCC1O 010826ab6e564be2799a7ef5eb64d7f7 [0,0,0,1,0,0|3,0,0]=4 6455 B12R1.125 O=C(O)CN[C@@H]1CCCC[C@H]1O 69b9f83ab05871a940451e7c3815139c [0,0,0,1,0,0|2,0,0]=3 6456 B12R1.125 O=C(O)CN[C@@H]1CCOC[C@@H]1O b107f15e7e586b6423564f352090edd4 [0,0,0,1,0,0|3,0,0]=4 6457 B12R1.125 O=C(O)CN[C@@H]1CCOC[C@H]1F 9eb9da543d280ddaf12e5b7faa43faac [0,0,0,1,0,0|3,0,0]=4 6458 B12R1.125 O=C(O)CN[C@@H]1CCOC[C@H]1O e54e38c87bc5354599116746fb4e2e53 [0,0,0,1,0,0|3,0,0]=4 6459 B12R1.125 O=C(O)CN[C@@H]1COCC[C@@H]1O 3e3e27166470def09d657b011dbfc042 [0,0,0,1,0,0|3,0,0]=4 6460 B12R1.125 O=C(O)CN[C@@H]1COCC[C@H]1O d952edb182b14730d30ac22cb7fd4d5b [0,0,0,1,0,0|3,0,0]=4 6461 B12R1.125 O=C(O)CN[C@H]1CCCC[C@@H]1O 81ee166f9afa274eecd6613ec6bb178c [0,0,0,1,0,0|2,0,0]=3 6462 B12R1.125 O=C(O)CN[C@H]1CCCC[C@H]1O bf04e0698dbfddffbbecbda08fb94cd4 [0,0,0,1,0,0|2,0,0]=3 6463 B12R1.125 O=C(O)CN[C@H]1CCOC[C@@H]1F 54c3c7f4cab062818d28cfc1d0075268 [0,0,0,1,0,0|3,0,0]=4 6464 B12R1.125 O=C(O)CN[C@H]1CCOC[C@@H]1O 533d844ac04d8c65dc1cc68ed48fbb64 [0,0,0,1,0,0|3,0,0]=4 6465 B12R1.125 O=C(O)CN[C@H]1CCOC[C@H]1O 00f8224701b76e086db8e7fcf4f55448 [0,0,0,1,0,0|3,0,0]=4 6466 B12R1.125 O=C(O)CN[C@H]1COCC[C@@H]1O 10785ab28a50a8056383619ecb6294b2 [0,0,0,1,0,0|3,0,0]=4 6467 B12R1.125 O=C(O)CN[C@H]1COCC[C@H]1O 114ec4d79e1c2b1788e630566fb4935e [0,0,0,1,0,0|3,0,0]=4 6468 B12R1.125 O=C(O)COC1CCCCC1=O a26594c11ae1178bfed3dcdada85908c [0,0,0,1,0,0|2,0,1]=4 6469 B12R1.125 O=C(O)COC1CCCCC1F 7450e377d501afea5783005dc59e6f5b [0,0,0,1,0,0|2,0,0]=3 6470 B12R1.125 O=C(O)COC1CCOCC1F b919054d4cfd0d7d645a83e20a44a9a3 [0,0,0,1,0,0|3,0,0]=4 6471 B12R1.125 O=C(O)CO[C@@H]1CCCC[C@H]1F 0d39ddfede57a04949d271fa58f1c3d0 [0,0,0,1,0,0|2,0,0]=3 6472 B12R1.125 O=C(O)CO[C@@H]1CCOC[C@@H]1F a20efc8cf022f55e7795accb64920b10 [0,0,0,1,0,0|3,0,0]=4 6473 B12R1.125 O=C(O)CO[C@H]1CCOC[C@@H]1F f7885af58ad9de2448450ac14fc56fb1 [0,0,0,1,0,0|3,0,0]=4 6474 B12R1.125 O=C(O)CO[C@H]1CCOC[C@H]1F ae08f7f6f26061fa4267b7d01b7b8160 [0,0,0,1,0,0|3,0,0]=4 6475 B12R1.125 O=S(O)COC1CCCCC1F 5e8e5b4afea9c8c3b47295e2a5beb883 [0,0,0,1,0,0|3,0,0]=4 6476 B12R1.130 C=C(Br)COCC1CCCC1C 6f58c3778201d5a7746b518830b67945 [0,0,0,1,0,0|3,0,0]=4 6477 B12R1.130 C=C(C)CCCN1CCCC1C 0bf0179a4cc952c8c1c04d7181eae5ef [0,0,0,1,0,0|3,0,0]=4 6478 B12R1.130 C=C(C)CCCN1CCC[C@@H]1C fbfa3e5ac6f2424f2855b4728971f0c5 [0,0,0,1,0,0|3,0,0]=4 6479 B12R1.130 C=C(C)CCCN1CCC[C@H]1C 6d4215e5f4e150bfd8e2e6240e1fb60c [0,0,0,1,0,0|3,0,0]=4 6480 B12R1.130 C=C(C)CCOC1CCCC1C 5c69adb2c551559124561be80e218fd5 [0,0,0,1,0,0|3,0,0]=4 6481 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@@H]1C 4494d533f5ad24043dfcbfc29efd5cf4 [0,0,0,1,0,0|3,0,0]=4 6482 B12R1.130 C=C(C)CCO[C@@H]1CCC[C@H]1C a89a7f569f60e7024f3070162610b0d5 [0,0,0,1,0,0|3,0,0]=4 6483 B12R1.130 C=C(C)CCO[C@H]1CCC[C@@H]1C e98ae2a6b0804cd22801f0a06031ec1e [0,0,0,1,0,0|3,0,0]=4 6484 B12R1.130 C=C(C)CCO[C@H]1CCC[C@H]1C 9bee8219b16e5ac5c835639c1fafb463 [0,0,0,1,0,0|3,0,0]=4 6485 B12R1.130 C=C(C)COCC1CCCC1C ef39d1bf33d1bf9b76301f0eb433bfcb [0,0,0,1,0,0|3,0,0]=4 6486 B12R1.130 C=C(Cl)COCC1CCCC1C 55bd8de1f11af24b1943973dd033a4e3 [0,0,0,1,0,0|3,0,0]=4 6487 B12R1.130 C=C(F)COCC1CCCC1C 5ceb883bb834b5f834e9a8888dd53bef [0,0,0,1,0,0|3,0,0]=4 6488 B12R1.130 CC(=O)CCCN1CCCC1C dde1b9e8bf9567e285903739a6c286ae [0,0,0,1,0,0|2,0,0]=3 6489 B12R1.130 CC(=O)CCCN1CCCC1O 809549a735c1863672e6693009726041 [0,0,0,1,0,0|3,0,0]=4 6490 B12R1.130 CC(=O)CCCN1CCC[C@@H]1C 841c2ca72e401772975f412cbbeaf059 [0,0,0,1,0,0|2,0,0]=3 6491 B12R1.130 CC(=O)CCCN1CCC[C@H]1C ece84e5b96312ca830d8301458815d8e [0,0,0,1,0,0|2,0,0]=3 6492 B12R1.130 CC(=O)CCCN1CCSC1C 16bfeb440e3f5299538e5f6c122c2cad [0,0,0,1,0,0|3,0,0]=4 6493 B12R1.130 CC(=O)CCNC1CCCC1O 70be25e9975b2889e6a50eed41bf8610 [0,0,0,1,0,0|3,0,0]=4 6494 B12R1.130 CC(=O)CCN[C@@H]1CCC[C@@H]1O cb816e938ac20b3bac3c7323244a3856 [0,0,0,1,0,0|3,0,0]=4 6495 B12R1.130 CC(=O)CCN[C@@H]1CCC[C@H]1O 445fd3dbf88594c55859689f8075cecd [0,0,0,1,0,0|3,0,0]=4 6496 B12R1.130 CC(=O)CCN[C@H]1CCC[C@@H]1O 9a7c6ec8a9af7e00d0b9a90e768e8f71 [0,0,0,1,0,0|3,0,0]=4 6497 B12R1.130 CC(=O)CCN[C@H]1CCC[C@H]1O 78aa2e92a9b1cffe20646103b8490451 [0,0,0,1,0,0|3,0,0]=4 6498 B12R1.130 CC(=O)CCOC1CCCC1C 6505f58b02c1b7d1fccd4e6f2ac4e698 [0,0,0,1,0,0|2,0,0]=3 6499 B12R1.130 CC(=O)CCOC1COCC1C 2a51f8de2053e188a8bec4a43e2aae3b [0,0,0,1,0,0|3,0,0]=4 6500 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@@H]1C 10170fa43a42ea03c9690273b1ba218b [0,0,0,1,0,0|2,0,0]=3 6501 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@H]1C bc11a5203dce1a29031dfaae7e29317f [0,0,0,1,0,0|2,0,0]=3 6502 B12R1.130 CC(=O)CCO[C@@H]1CCC[C@H]1F 43405bde2fd486f0b3991e6717eaf5a2 [0,0,0,1,0,0|3,0,0]=4 6503 B12R1.130 CC(=O)CCO[C@@H]1COC[C@@H]1C 4aeace805e50dfa60df9afb679be1468 [0,0,0,1,0,0|3,0,0]=4 6504 B12R1.130 CC(=O)CCO[C@H]1CCC[C@@H]1C d000d93c64f2d120135215c4a01f5222 [0,0,0,1,0,0|2,0,0]=3 6505 B12R1.130 CC(=O)CCO[C@H]1CCC[C@H]1C 9d947f9876e261829479ad15dbb43e98 [0,0,0,1,0,0|2,0,0]=3 6506 B12R1.130 CC(=O)CCO[C@H]1COC[C@@H]1C 283806a0760382e21cf0057ccb83f379 [0,0,0,1,0,0|3,0,0]=4 6507 B12R1.130 CC(=O)CCO[C@H]1COC[C@H]1C cc1e0aaaacb8529130b6a0548f88bfff [0,0,0,1,0,0|3,0,0]=4 6508 B12R1.130 CC(=O)CNCC1COCC1C 9f499295ed3ac5105135315ce1b4a0d5 [0,0,0,1,0,0|3,0,0]=4 6509 B12R1.130 CC(=O)COCC1COCC1C d87c0dd4c1b6fd11352af355e05b49d4 [0,0,0,1,0,0|3,0,0]=4 6510 B12R1.130 CC(=O)NCCC1CCCN1C cad54acbac48e66fc4d49428172844b3 [0,0,0,1,0,0|3,0,0]=4 6511 B12R1.130 CC(=O)NCCN1CCCC1C 28848a9a8f25df63eaadef2d8ad78f4b [0,0,0,1,0,0|3,0,0]=4 6512 B12R1.130 CC(=O)NCCN1CCC[C@@H]1C dbae61f9620c4e4fa6a6fbcf853a2ba5 [0,0,0,1,0,0|3,0,0]=4 6513 B12R1.130 CC(=O)NCCN1CCC[C@H]1C 61649d36817def6da1d270b980fde4e5 [0,0,0,1,0,0|3,0,0]=4 6514 B12R1.130 CC(=O)NCC[C@@H]1CCCN1C 88e5ce7662f5d9a1e0f952e4ff156a27 [0,0,0,1,0,0|3,0,0]=4 6515 B12R1.130 CC(=O)NCC[C@H]1CCCN1C 7c218a3c948cf809d7a509f7601b7f87 [0,0,0,1,0,0|3,0,0]=4 6516 B12R1.130 CC(=O)OCCN1CCCC1C 4bd0091d1181336e78975ea9b1a64219 [0,0,0,1,0,0|3,0,0]=4 6517 B12R1.130 CC(=O)OCCN1CCC[C@@H]1C 19f60675ed09ce72e90d06da17b0b4bc [0,0,0,1,0,0|3,0,0]=4 6518 B12R1.130 CC(=O)OCCN1CCC[C@H]1C ada3e71471b60afd89a3617e71432411 [0,0,0,1,0,0|3,0,0]=4 6519 B12R1.130 CC(=O)OCOC1CCCC1C 48d045feca9db12c1b08e52189ff4b7d [0,0,0,1,0,0|3,0,0]=4 6520 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@@H]1C a1b08a0cae0bd5612459ecb41108c140 [0,0,0,1,0,0|3,0,0]=4 6521 B12R1.130 CC(=O)OCO[C@@H]1CCC[C@H]1C 14a74b6f9ab6a8b5e6450adcfe0498db [0,0,0,1,0,0|3,0,0]=4 6522 B12R1.130 CC(=O)OCO[C@H]1CCC[C@@H]1C 9b7024da9a2da13545f54a27c6d2d2a4 [0,0,0,1,0,0|3,0,0]=4 6523 B12R1.130 CC(=O)OCO[C@H]1CCC[C@H]1C bae39addb8494a34629aa360998d7b43 [0,0,0,1,0,0|3,0,0]=4 6524 B12R1.130 CC(=O)SCCN1CCCC1C 2801dbb2fbcbd03e128e5fed3aab8523 [0,0,0,1,0,0|3,0,0]=4 6525 B12R1.130 CC(=O)SCCN1CCC[C@@H]1C b9cba2c0adcdee3c9d05ba24bbd18a10 [0,0,0,1,0,0|3,0,0]=4 6526 B12R1.130 CC(=O)SCCN1CCC[C@H]1C 4ed5f237d1ae4bffb4ba052b075b5abd [0,0,0,1,0,0|3,0,0]=4 6527 B12R1.130 CC(O)CCCN1CCCC1C 07bbfca7dbe2a9df3407be5bed30fc8f [0,0,0,1,0,0|2,0,1]=4 6528 B12R1.130 CC(O)CCCN1CCC[C@@H]1C 3c81e812dd208d68c66e263556e377d5 [0,0,0,1,0,0|2,0,1]=4 6529 B12R1.130 CC(O)CCCN1CCC[C@H]1C 79c35954d2b06dbfbe9004387ccab7dd [0,0,0,1,0,0|2,0,1]=4 6530 B12R1.130 CC1CCCC1COCC(=O)N 9850a74d704d3f6399fca1491e1b1560 [0,0,0,1,0,0|2,0,0]=3 6531 B12R1.130 CC1CCCC1COCC(=O)O 5d747dc77f69b0ec1ca2e97827cb59a5 [0,0,0,1,0,0|1,0,0]=2 6532 B12R1.130 CC1CCCC1COC[N+](=O)[O-] 2cbd21fe0a61b2a4b878ac1b1b3d1502 [0,0,0,1,0,0|2,0,1]=4 6533 B12R1.130 CC1CCCC1OCCC(=O)N a88c091706e893062dac9e6353601b17 [0,0,0,1,0,0|2,0,0]=3 6534 B12R1.130 CC1CCCC1OCCC(=O)O 56a676c9348d4a291a6176d63e2ef24f [0,0,0,1,0,0|1,0,0]=2 6535 B12R1.130 CC1CCCC1OCCS(=O)C 3f1ff7dbebcb89a252da68a4131f2bf4 [0,0,0,1,0,0|3,0,0]=4 6536 B12R1.130 CC1CCCC1OCSC(=O)N 76f4336230ff2a722455ff2505bd874a [0,0,0,1,0,0|3,0,0]=4 6537 B12R1.130 CC1CCCN1C/C=C/C(=O)O b28815e6734560e8d78de21d62a66c90 [0,0,0,1,0,0|1,0,2]=4 6538 B12R1.130 CC1CCCN1CC=CC(=O)O e42fbc32dc7cd5a4f0510f9abdfa3d86 [0,0,0,1,0,0|1,0,2]=4 6539 B12R1.130 CC1CCCN1CCCC(=O)N ebb028e4cd58706a2c8f4da9c0d74fd9 [0,0,0,1,0,0|2,0,0]=3 6540 B12R1.130 CC1CCCN1CCCC(=O)O 4ab47bf7f7a600f154632a8b1ae321e6 [0,0,0,1,0,0|1,0,0]=2 6541 B12R1.130 CC1CCCN1CCC[N+](=O)[O-] 1c1e999085c0f6abc39a4bf6bc5efa92 [0,0,0,1,0,0|2,0,1]=4 6542 B12R1.130 CC1CCCN1CCNC(=O)N fe665d6b53d340b7f296680c79ed6f94 [0,0,0,1,0,0|3,0,0]=4 6543 B12R1.130 CC1CCOC1COCC(=O)N 378236831baa809602d2d3e090018d35 [0,0,0,1,0,0|3,0,0]=4 6544 B12R1.130 CC1CCOC1COCC(=O)O d1400dd043370cb8a9d81d50b20a2c4c [0,0,0,1,0,0|2,0,0]=3 6545 B12R1.130 CC1COCC1CNCC(=O)N ad3b36e077adafa5dde60182f390d67d [0,0,0,1,0,0|3,0,0]=4 6546 B12R1.130 CC1COCC1CNCC(=O)O 3d5eed92b857c3341d1e2881e42d2eab [0,0,0,1,0,0|2,0,0]=3 6547 B12R1.130 CC1COCC1COCC(=O)N 04e4256cd91b0c72329a0fdf65e8b00e [0,0,0,1,0,0|3,0,0]=4 6548 B12R1.130 CC1COCC1COCC(=O)O b390dabe6bdf522422f94d546143c09e [0,0,0,1,0,0|2,0,0]=3 6549 B12R1.130 CC1COCC1COCS(=O)O 026515dcb2f37c854dbe55daca390215 [0,0,0,1,0,0|3,0,0]=4 6550 B12R1.130 CC1COCC1OCCC(=O)N f53a71b5741db96ce1f7bf7be8401b96 [0,0,0,1,0,0|3,0,0]=4 6551 B12R1.130 CC1COCC1OCCC(=O)O adcbddd7c623d8df2fb53415bba826e6 [0,0,0,1,0,0|2,0,0]=3 6552 B12R1.130 CC1SCCN1CCCC(=O)N ef738553bad4e3bab527696c2a414357 [0,0,0,1,0,0|3,0,0]=4 6553 B12R1.130 CN1CCCC1CNCC(=O)N 71ae2d19b4aed4be62a0b475ddd3d7d7 [0,0,0,1,0,0|3,0,0]=4 6554 B12R1.130 CN1CCCC1CNCC(=O)O 0f1c7a8f66738fe9021c4a9ecfdb8910 [0,0,0,1,0,0|2,0,0]=3 6555 B12R1.130 CN1CCCC1COCC(=O)N 15fc03c6ca34dfc88f594d73c9a063f3 [0,0,0,1,0,0|3,0,0]=4 6556 B12R1.130 CN1CCCC1COCC(=O)O de5a50331a98705af9eec2e7299579f3 [0,0,0,1,0,0|2,0,0]=3 6557 B12R1.130 CN1CCC[C@@H]1CNCC(=O)N ee84e88d91a141faceee10ac0333232f [0,0,0,1,0,0|3,0,0]=4 6558 B12R1.130 CN1CCC[C@@H]1CNCC(=O)O a8a7f05ab7636eab5233e9706b897bda [0,0,0,1,0,0|2,0,0]=3 6559 B12R1.130 CN1CCC[C@@H]1COCC(=O)N 440e61d9e24ce93090987f458fb2a964 [0,0,0,1,0,0|3,0,0]=4 6560 B12R1.130 CN1CCC[C@@H]1COCC(=O)O 41fd151b9e73f6894f3921889e44f85b [0,0,0,1,0,0|2,0,0]=3 6561 B12R1.130 CN1CCC[C@H]1CNCC(=O)N 11bb7cad1787297be73abfb70520ba2a [0,0,0,1,0,0|3,0,0]=4 6562 B12R1.130 CN1CCC[C@H]1CNCC(=O)O 484548520fafea91397f311e1c116145 [0,0,0,1,0,0|2,0,0]=3 6563 B12R1.130 CN1CCC[C@H]1COCC(=O)N ada1fb4d6eeb67ec73daf64af077bcac [0,0,0,1,0,0|3,0,0]=4 6564 B12R1.130 CN1CCC[C@H]1COCC(=O)O e2071f422b14d6b34602341e5209ed92 [0,0,0,1,0,0|2,0,0]=3 6565 B12R1.130 C[C@@H]1CCCN1C/C=C/C(=O)O 7284f4b6562938b3ff0a1fd652e7ae42 [0,0,0,1,0,0|1,0,2]=4 6566 B12R1.130 C[C@@H]1CCCN1CC=CC(=O)O c530e06b4ce56ffaca8b575a545182b1 [0,0,0,1,0,0|1,0,2]=4 6567 B12R1.130 C[C@@H]1CCCN1CCCC(=O)N 08de7df016f9665f039d008c8e64eaf4 [0,0,0,1,0,0|2,0,0]=3 6568 B12R1.130 C[C@@H]1CCCN1CCCC(=O)O 668734cdbcb71bf415fa2c681e572718 [0,0,0,1,0,0|1,0,0]=2 6569 B12R1.130 C[C@@H]1CCCN1CCC[N+](=O)[O-] 50167a1e6962f179cc47dcf9ec1dfc80 [0,0,0,1,0,0|2,0,1]=4 6570 B12R1.130 C[C@@H]1CCCN1CCNC(=O)N d4e1b02718c26c031615b80535bfa6f1 [0,0,0,1,0,0|3,0,0]=4 6571 B12R1.130 C[C@@H]1CCC[C@@H]1OCCC(=O)N 54043d8392c5e753ae4a9c3cdf59e991 [0,0,0,1,0,0|2,0,0]=3 6572 B12R1.130 C[C@@H]1CCC[C@@H]1OCCC(=O)O 5a5ecffa7effcc121266ff800207ec13 [0,0,0,1,0,0|1,0,0]=2 6573 B12R1.130 C[C@@H]1CCC[C@@H]1OCCS(=O)C ad9e559bd31d149078387f6619a2c645 [0,0,0,1,0,0|3,0,0]=4 6574 B12R1.130 C[C@@H]1CCC[C@@H]1OCSC(=O)N d614dabf3540f44d8604a314f3c335df [0,0,0,1,0,0|3,0,0]=4 6575 B12R1.130 C[C@@H]1CCC[C@H]1OCCC(=O)N 6d40107118c36c397c4d65237e3f6f55 [0,0,0,1,0,0|2,0,0]=3 6576 B12R1.130 C[C@@H]1CCC[C@H]1OCCC(=O)O 08fc9aac06b6f43e522f643cf1b1b1f3 [0,0,0,1,0,0|1,0,0]=2 6577 B12R1.130 C[C@@H]1CCC[C@H]1OCCS(=O)C 21e9f9f61ac8cce50a24480cc06c8650 [0,0,0,1,0,0|3,0,0]=4 6578 B12R1.130 C[C@@H]1CCC[C@H]1OCSC(=O)N a6f5a83a4874fa6e7bd5ea9fad88b81e [0,0,0,1,0,0|3,0,0]=4 6579 B12R1.130 C[C@@H]1COC[C@@H]1OCCC(=O)N e11cdf7b5cf9393f169b3116b2263060 [0,0,0,1,0,0|3,0,0]=4 6580 B12R1.130 C[C@@H]1COC[C@@H]1OCCC(=O)O 8a7940a21e1ec06d5ee221c65a0007ae [0,0,0,1,0,0|2,0,0]=3 6581 B12R1.130 C[C@H]1CCCN1C/C=C/C(=O)O 657f456bddd592b85506c80f07e311d6 [0,0,0,1,0,0|1,0,2]=4 6582 B12R1.130 C[C@H]1CCCN1CC=CC(=O)O 7c990a13ae89e018b44ae8de428633e0 [0,0,0,1,0,0|1,0,2]=4 6583 B12R1.130 C[C@H]1CCCN1CCCC(=O)N f40875c57d52d0ca0dac3527b237fbff [0,0,0,1,0,0|2,0,0]=3 6584 B12R1.130 C[C@H]1CCCN1CCCC(=O)O 6d13ef1e639c38c80ed29a186c3fc3ae [0,0,0,1,0,0|1,0,0]=2 6585 B12R1.130 C[C@H]1CCCN1CCC[N+](=O)[O-] 631545190148db9caec1c493e1483ca1 [0,0,0,1,0,0|2,0,1]=4 6586 B12R1.130 C[C@H]1CCCN1CCNC(=O)N d88c42d5a6e68b1e32a5232dd0aee495 [0,0,0,1,0,0|3,0,0]=4 6587 B12R1.130 C[C@H]1CCC[C@@H]1OCCC(=O)N 91d91dabe984ab6d6c10748230dbd799 [0,0,0,1,0,0|2,0,0]=3 6588 B12R1.130 C[C@H]1CCC[C@@H]1OCCC(=O)O 3a7b18a9f03c4de5bec7c30bf0be3457 [0,0,0,1,0,0|1,0,0]=2 6589 B12R1.130 C[C@H]1CCC[C@@H]1OCCS(=O)C af32a78aa8c4347432d952c8125b6fb2 [0,0,0,1,0,0|3,0,0]=4 6590 B12R1.130 C[C@H]1CCC[C@@H]1OCSC(=O)N 762861ed300a4d2d94afececb5e379d4 [0,0,0,1,0,0|3,0,0]=4 6591 B12R1.130 C[C@H]1CCC[C@H]1OCCC(=O)N b6b26e3e367d7f8b4fad32402e9d7225 [0,0,0,1,0,0|2,0,0]=3 6592 B12R1.130 C[C@H]1CCC[C@H]1OCCC(=O)O 92b80d798b8af41bd97490339c211682 [0,0,0,1,0,0|1,0,0]=2 6593 B12R1.130 C[C@H]1CCC[C@H]1OCCS(=O)C 8fd067e2762b9d4640b3bb535dceaec0 [0,0,0,1,0,0|3,0,0]=4 6594 B12R1.130 C[C@H]1CCC[C@H]1OCSC(=O)N eb04bada17209085a074090485197319 [0,0,0,1,0,0|3,0,0]=4 6595 B12R1.130 C[C@H]1COC[C@@H]1OCCC(=O)N 4f0117e5ac3159a3295c2963c5323b92 [0,0,0,1,0,0|3,0,0]=4 6596 B12R1.130 C[C@H]1COC[C@@H]1OCCC(=O)O 966489917c2a8bd7e0ca1524a1a354b0 [0,0,0,1,0,0|2,0,0]=3 6597 B12R1.130 C[C@H]1COC[C@H]1OCCC(=O)N f2a601f04497763000972da06fc56274 [0,0,0,1,0,0|3,0,0]=4 6598 B12R1.130 C[C@H]1COC[C@H]1OCCC(=O)O 1539318b640b438814f8e89e9e4bb331 [0,0,0,1,0,0|2,0,0]=3 6599 B12R1.130 C[C@H]1OCC[C@H]1COCC(=O)N ef6ad7be9ab6520ec3eb6eb9391e8565 [0,0,0,1,0,0|3,0,0]=4 6600 B12R1.130 C[C@H]1OCC[C@H]1COCC(=O)O 16cfd0c764d9655bda86bbab5df7c32f [0,0,0,1,0,0|2,0,0]=3 6601 B12R1.130 NC(=O)CCCN1CCCC1O deae0adadf1cccb985d89f5a6a9f6b26 [0,0,0,1,0,0|3,0,0]=4 6602 B12R1.130 NC(=O)CCNC1CCCC1O 705de527e50c618d93533c89342465e8 [0,0,0,1,0,0|3,0,0]=4 6603 B12R1.130 NC(=O)CCN[C@@H]1CCC[C@@H]1O 995fa7d40ad6886b5e87dc141572f8b2 [0,0,0,1,0,0|3,0,0]=4 6604 B12R1.130 NC(=O)CCN[C@@H]1CCC[C@H]1O 5cd714b92bcf6789df309d8289baea49 [0,0,0,1,0,0|3,0,0]=4 6605 B12R1.130 NC(=O)CCN[C@H]1CCC[C@@H]1O 976756269cb3d17ebc1508296597072c [0,0,0,1,0,0|3,0,0]=4 6606 B12R1.130 NC(=O)CCN[C@H]1CCC[C@H]1O bbfda82324e728364024eb8ef67ddc83 [0,0,0,1,0,0|3,0,0]=4 6607 B12R1.130 NC(=O)CCO[C@@H]1CCC[C@H]1F f249a1e876542a0d87f23d53037a9b59 [0,0,0,1,0,0|3,0,0]=4 6608 B12R1.130 NC(=O)CNCC1CCCC1O 61883a12ef64708a6270deb3f40bb37c [0,0,0,1,0,0|3,0,0]=4 6609 B12R1.130 NC(=O)COC[C@@H]1CCC[C@H]1F c1b75ba74cb3c74c64070766f8595aa0 [0,0,0,1,0,0|3,0,0]=4 6610 B12R1.130 O=C(O)CCCN1CCCC1O efa97648a71c6c6802fdbae1e4a2e38b [0,0,0,1,0,0|2,0,0]=3 6611 B12R1.130 O=C(O)CCNC1CCCC1O e93c1f250cfd177c800a3fb006fce076 [0,0,0,1,0,0|2,0,0]=3 6612 B12R1.130 O=C(O)CCNC1COCC1O d73bf38e26ebccb3ad36516863ebe835 [0,0,0,1,0,0|3,0,0]=4 6613 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@@H]1O 7e223b46e95b73c1b562fed7eff28c68 [0,0,0,1,0,0|2,0,0]=3 6614 B12R1.130 O=C(O)CCN[C@@H]1CCC[C@H]1O 89a1011a7c6dbcfd8915d969e92cc18f [0,0,0,1,0,0|2,0,0]=3 6615 B12R1.130 O=C(O)CCN[C@@H]1COC[C@@H]1O 45d89b045721129c6c29b2c3e6bea6b2 [0,0,0,1,0,0|3,0,0]=4 6616 B12R1.130 O=C(O)CCN[C@@H]1COC[C@H]1O 5899b0ea55ecbaa47f7f4e1394012411 [0,0,0,1,0,0|3,0,0]=4 6617 B12R1.130 O=C(O)CCN[C@H]1CCC[C@@H]1O b692a1f0b2a95e76e5134fad8dbc7c0b [0,0,0,1,0,0|2,0,0]=3 6618 B12R1.130 O=C(O)CCN[C@H]1CCC[C@H]1O 2ba7bfa80c6acdfa1706fb94b98a809c [0,0,0,1,0,0|2,0,0]=3 6619 B12R1.130 O=C(O)CCN[C@H]1COC[C@@H]1O 0da130dd65258aa06041667e3a7e38f9 [0,0,0,1,0,0|3,0,0]=4 6620 B12R1.130 O=C(O)CCN[C@H]1COC[C@H]1F 6cf4367847e1c3429526a230be7522b9 [0,0,0,1,0,0|3,0,0]=4 6621 B12R1.130 O=C(O)CCN[C@H]1COC[C@H]1O bc3c8ff3bc8d8c91f725840870c43979 [0,0,0,1,0,0|3,0,0]=4 6622 B12R1.130 O=C(O)CCOC1CCCC1=O c8d4b07715e21387ad5a05cac6387141 [0,0,0,1,0,0|2,0,1]=4 6623 B12R1.130 O=C(O)CCOC1COCC1F 5b228e44cbf56e9f1d1903d14a90553f [0,0,0,1,0,0|3,0,0]=4 6624 B12R1.130 O=C(O)CCO[C@@H]1CCC[C@H]1F b18486c23a36952f40b6d548d87dcc5a [0,0,0,1,0,0|2,0,0]=3 6625 B12R1.130 O=C(O)CCO[C@@H]1COC[C@H]1F 060b3ea23b0dc608b0e5a1a8ef890335 [0,0,0,1,0,0|3,0,0]=4 6626 B12R1.130 O=C(O)CCO[C@H]1COC[C@H]1F b70737cd78ec0db1e0a7ac38839e453b [0,0,0,1,0,0|3,0,0]=4 6627 B12R1.130 O=C(O)CNCC1CCCC1O 6a300e5d9c2aa4e7b9f44028f25ce650 [0,0,0,1,0,0|2,0,0]=3 6628 B12R1.130 O=C(O)CNC[C@@H]1COC[C@@H]1O 61a3bc9f4f09b91122268af183d60f08 [0,0,0,1,0,0|3,0,0]=4 6629 B12R1.130 O=C(O)COCC1CCCC1=O ec6faa7d2ef72c54777a4ec8ba3ae260 [0,0,0,1,0,0|2,0,1]=4 6630 B12R1.130 O=C(O)COC[C@@H]1CCC[C@H]1F 44437794a3a7c611d1cb1c09e50bda50 [0,0,0,1,0,0|2,0,0]=3 6631 B12R1.130 O=S(O)CCNC1CCCC1O 5b0d9a334cbd6385d6b0d437b3e205fb [0,0,0,1,0,0|3,0,0]=4 6632 B12R1.130 O=S(O)CCN[C@@H]1CCC[C@H]1O 501855894ff307487eec245b9f33d98d [0,0,0,1,0,0|3,0,0]=4 6633 B12R1.130 O=S(O)CCN[C@H]1CCC[C@@H]1O db83eea8e9394fc7d6ba825f528d0cdb [0,0,0,1,0,0|3,0,0]=4 6634 B12R1.143 C=C(C)CCCOCC1CC1C 4a157e18e3b824c8e50ab5753dd8a3bf [0,0,0,1,0,0|3,0,0]=4 6635 B12R1.143 C=C(C)CCCOC[C@@H]1C[C@@H]1C 948b9673faf0ea3e4f19aaff828cc04d [0,0,0,1,0,0|3,0,0]=4 6636 B12R1.143 C=C(C)CCCOC[C@@H]1C[C@H]1C 863d1b9a4e0450c71bf1170ab9c077c2 [0,0,0,1,0,0|3,0,0]=4 6637 B12R1.143 C=C(C)CCCOC[C@H]1C[C@@H]1C 16da1cd242ac69578c59f9cf0f8f36eb [0,0,0,1,0,0|3,0,0]=4 6638 B12R1.143 C=C1CC1COCCCC(=O)O db7a183eef33133cf5b1eff89c25c5fe [0,0,0,1,0,0|1,0,2]=4 6639 B12R1.143 CC(=O)CCCCNC1CC1C 55bbf993b7c8f2bbf1ac7a79455b05b3 [0,0,0,1,0,0|2,0,0]=3 6640 B12R1.143 CC(=O)CCCCN[C@@H]1C[C@H]1F d90f68a6ba97e4f491a67b56fd052500 [0,0,0,1,0,0|3,0,0]=4 6641 B12R1.143 CC(=O)CCCCN[C@H]1C[C@@H]1F 47aa2407bdaf04d69a1e80c1ad50136b [0,0,0,1,0,0|3,0,0]=4 6642 B12R1.143 CC(=O)CCCCN[C@H]1C[C@H]1F 5f69d08407f97d0d7655520afa80b749 [0,0,0,1,0,0|3,0,0]=4 6643 B12R1.143 CC(=O)CCCOCC1CC1C aa22d4f4262dfa088fd4f2328334e4ab [0,0,0,1,0,0|2,0,0]=3 6644 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@@H]1C 7c7fcdf9159e672ec3f9c82e191b90b0 [0,0,0,1,0,0|2,0,0]=3 6645 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@@H]1F e6ea1df9acbdbcbffc9ce3ec9b4fa4ec [0,0,0,1,0,0|3,0,0]=4 6646 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@H]1C 4068970b116183d71203a662da6b161d [0,0,0,1,0,0|2,0,0]=3 6647 B12R1.143 CC(=O)CCCOC[C@@H]1C[C@H]1F 57c7a7d4f8bc62d698f26c383300d591 [0,0,0,1,0,0|3,0,0]=4 6648 B12R1.143 CC(=O)CCCOC[C@H]1C[C@@H]1C 69388d143590813b85339ade60aa3c70 [0,0,0,1,0,0|2,0,0]=3 6649 B12R1.143 CC(=O)CCCOC[C@H]1C[C@@H]1F d04d86a62664017f1c4167d9d546f1a1 [0,0,0,1,0,0|3,0,0]=4 6650 B12R1.143 CC(=O)CCCOC[C@H]1C[C@H]1F 0aefcdf96cb7217ebc7d85a3eedbe706 [0,0,0,1,0,0|3,0,0]=4 6651 B12R1.143 CC(=O)NCCCNC1CC1C fa93006060e3bbfd1cc418e93c32c61e [0,0,0,1,0,0|3,0,0]=4 6652 B12R1.143 CC(=O)NCCOCC1CC1C bbc6549178e2e820a9759fe16bacc4e4 [0,0,0,1,0,0|3,0,0]=4 6653 B12R1.143 CC(=O)NCCOC[C@@H]1C[C@@H]1C 4392cbbf308d89cf0f9ca7d93d8d9fbb [0,0,0,1,0,0|3,0,0]=4 6654 B12R1.143 CC(=O)NCCOC[C@@H]1C[C@H]1C 542ebcad3ee25a5e2bd0bb1078636589 [0,0,0,1,0,0|3,0,0]=4 6655 B12R1.143 CC(=O)NCCOC[C@H]1C[C@@H]1C b4e7023d422f85327bb4b3a8ff681aa1 [0,0,0,1,0,0|3,0,0]=4 6656 B12R1.143 CC(=O)OCCCNC1CC1C 2713d8ead15a249fcbacf6343c4036b7 [0,0,0,1,0,0|3,0,0]=4 6657 B12R1.143 CC(=O)OCCOCC1CC1C 6eb652e79e2e6b62ec6b571fca5c4be8 [0,0,0,1,0,0|3,0,0]=4 6658 B12R1.143 CC(=O)OCCOC[C@@H]1C[C@@H]1C 21f49a1e7b9163ffe297c653cebb2edb [0,0,0,1,0,0|3,0,0]=4 6659 B12R1.143 CC(=O)OCCOC[C@@H]1C[C@H]1C 026e9784d7f355174ceb4c9bc8e72cd4 [0,0,0,1,0,0|3,0,0]=4 6660 B12R1.143 CC(=O)OCCOC[C@H]1C[C@@H]1C 40a66b1e2269d0ae0627d19f681e1dd6 [0,0,0,1,0,0|3,0,0]=4 6661 B12R1.143 CC(=O)SCCCNC1CC1C 7d001c3a7d8fda4b3fd0a5cd071138c7 [0,0,0,1,0,0|3,0,0]=4 6662 B12R1.143 CC(=O)SCCOCC1CC1C 95c0a70dc17a12a9197ee0ae861dae9e [0,0,0,1,0,0|3,0,0]=4 6663 B12R1.143 CC(=O)SCCOC[C@@H]1C[C@@H]1C 048fe3c3ab1111e8b8b80d244f62105f [0,0,0,1,0,0|3,0,0]=4 6664 B12R1.143 CC(=O)SCCOC[C@@H]1C[C@H]1C f3719ce4e820757f1e3c96cae842b842 [0,0,0,1,0,0|3,0,0]=4 6665 B12R1.143 CC(=O)SCCOC[C@H]1C[C@@H]1C 15a81dc573ae176d6f36778ab1447692 [0,0,0,1,0,0|3,0,0]=4 6666 B12R1.143 CC(O)CCCCNC1CC1C 29655dba1e6b00da237064026134f39e [0,0,0,1,0,0|2,0,1]=4 6667 B12R1.143 CC1CC1COC/C=C/C(=O)O f3f6c415e9a99d5ddcf5031405a389ca [0,0,0,1,0,0|1,0,2]=4 6668 B12R1.143 CC1CC1COCC=CC(=O)O 3b16d4db765cff0c3bb94a96418d1451 [0,0,0,1,0,0|1,0,2]=4 6669 B12R1.143 CC1CC1COCCCC(=O)N 5db9209c1b4c4f64bc0f37f8cd93138e [0,0,0,1,0,0|2,0,0]=3 6670 B12R1.143 CC1CC1COCCCC(=O)O 6035d8c58cc1ce90a6456790cbff342f [0,0,0,1,0,0|1,0,0]=2 6671 B12R1.143 CC1CC1COCCC[N+](=O)[O-] 1159aa11c7a16bf063a13016baa2e140 [0,0,0,1,0,0|2,0,1]=4 6672 B12R1.143 CC1CC1COCCNC(=O)N ec42a9e6f06d242ef16758e11f718a13 [0,0,0,1,0,0|3,0,0]=4 6673 B12R1.143 CC1CC1NCCCCC(=O)N 3de9ac65c9553a32781509c25acd695e [0,0,0,1,0,0|2,0,0]=3 6674 B12R1.143 CC1CC1NCCCCC(=O)O 0f16b0427d6ce6178d2dbb892215b39a [0,0,0,1,0,0|1,0,0]=2 6675 B12R1.143 CC1CC1NCCCC[C@@H](C)O c65f045495772fd4ca5e3ca74e33fb9b [0,0,0,1,0,0|2,0,1]=4 6676 B12R1.143 CC1CC1NCCOCC(=O)N aacc2b27dde69e7a6d0871cf639a0d1d [0,0,0,1,0,0|3,0,0]=4 6677 B12R1.143 CC1CC1NCCOCC(=O)O 4458e0cbc41d894b21e2f1e9c9abdcd2 [0,0,0,1,0,0|2,0,0]=3 6678 B12R1.143 C[C@@H]1C[C@H]1COC/C=C/C(=O)O 872d8b101aaab2bb9fd17755138127e1 [0,0,0,1,0,0|1,0,2]=4 6679 B12R1.143 C[C@@H]1C[C@H]1COCC=CC(=O)O 06d23f54ddcb8d5641a99e339b3ca56f [0,0,0,1,0,0|1,0,2]=4 6680 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)N de58002041218b450352e52e4f8cefc1 [0,0,0,1,0,0|2,0,0]=3 6681 B12R1.143 C[C@@H]1C[C@H]1COCCCC(=O)O e1b316f49ab33a5e2379ed02e211735e [0,0,0,1,0,0|1,0,0]=2 6682 B12R1.143 C[C@@H]1C[C@H]1COCCC[N+](=O)[O-] b18c6d2ca06e216d93b2254dd146225c [0,0,0,1,0,0|2,0,1]=4 6683 B12R1.143 C[C@@H]1C[C@H]1COCCNC(=O)N c23e0a9de9b27b0f28e8124868ee17f1 [0,0,0,1,0,0|3,0,0]=4 6684 B12R1.143 C[C@H]1C[C@@H]1COC/C=C/C(=O)O 0091c219258799eb0aafcbc27331758a [0,0,0,1,0,0|1,0,2]=4 6685 B12R1.143 C[C@H]1C[C@@H]1COCC=CC(=O)O ec3ef7c75279b7a48f025be31808084a [0,0,0,1,0,0|1,0,2]=4 6686 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)N 74c7a0883ebcdecd1329eb72bd7816cb [0,0,0,1,0,0|2,0,0]=3 6687 B12R1.143 C[C@H]1C[C@@H]1COCCCC(=O)O 60b4ea2f2c06aed11bbad4fc3189baaa [0,0,0,1,0,0|1,0,0]=2 6688 B12R1.143 C[C@H]1C[C@@H]1COCCC[N+](=O)[O-] 9e20515c226216ef78a3727bd8b4c79a [0,0,0,1,0,0|2,0,1]=4 6689 B12R1.143 C[C@H]1C[C@@H]1COCCNC(=O)N e8e280cff455dfe676d67c8f0d0ec035 [0,0,0,1,0,0|3,0,0]=4 6690 B12R1.143 C[C@H]1C[C@H]1COC/C=C/C(=O)O f1a01d6043b598012d5798e03c14eda6 [0,0,0,1,0,0|1,0,2]=4 6691 B12R1.143 C[C@H]1C[C@H]1COCC=CC(=O)O 1df750e7a6f533332fa2fb99eee65635 [0,0,0,1,0,0|1,0,2]=4 6692 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)N b89a0ff923492be233ecd49af192d54b [0,0,0,1,0,0|2,0,0]=3 6693 B12R1.143 C[C@H]1C[C@H]1COCCCC(=O)O abff6659801b457839b67e942e9f2a2c [0,0,0,1,0,0|1,0,0]=2 6694 B12R1.143 C[C@H]1C[C@H]1COCCC[N+](=O)[O-] 4c48f2b0d7fae07ccb322f3add737b03 [0,0,0,1,0,0|2,0,1]=4 6695 B12R1.143 C[C@H]1C[C@H]1COCCNC(=O)N 0002133a3147d6c7d4dac8357a900eb2 [0,0,0,1,0,0|3,0,0]=4 6696 B12R1.143 NC(=O)CCCCN[C@@H]1C[C@H]1F 68707e2a4972f429dc88500bba1dc476 [0,0,0,1,0,0|3,0,0]=4 6697 B12R1.143 NC(=O)CCCCN[C@H]1C[C@@H]1F 1382640a3e55150c4477dea60fc31e8d [0,0,0,1,0,0|3,0,0]=4 6698 B12R1.143 NC(=O)CCCCN[C@H]1C[C@H]1F b875f84fa3eae9d8209f35a64112012c [0,0,0,1,0,0|3,0,0]=4 6699 B12R1.143 NC(=O)CCCOC[C@@H]1C[C@@H]1F 70bae30f32471d55d46e7f5011ae10d4 [0,0,0,1,0,0|3,0,0]=4 6700 B12R1.143 NC(=O)CCCOC[C@@H]1C[C@H]1F 28f65c116f9e99e9beb069db604014c4 [0,0,0,1,0,0|3,0,0]=4 6701 B12R1.143 NC(=O)CCCOC[C@H]1C[C@@H]1F 8a1397656973035631294a38bb5abaef [0,0,0,1,0,0|3,0,0]=4 6702 B12R1.143 NC(=O)CCCOC[C@H]1C[C@H]1F 1e88b765f7c2b27eb2d12c9518acb6e0 [0,0,0,1,0,0|3,0,0]=4 6703 B12R1.143 O=C(O)CCCCN[C@@H]1C[C@H]1F 51391aaab5549083b5668c49cfc41a3a [0,0,0,1,0,0|2,0,0]=3 6704 B12R1.143 O=C(O)CCCCN[C@H]1C[C@@H]1F c13efa7c1aaf3122fa441619b376d091 [0,0,0,1,0,0|2,0,0]=3 6705 B12R1.143 O=C(O)CCCCN[C@H]1C[C@H]1F c6977f7de01a6cfbdb34997840f35899 [0,0,0,1,0,0|2,0,0]=3 6706 B12R1.143 O=C(O)CCCOC[C@@H]1C[C@@H]1F 37850e6f0706e6ef7dc19c72487e7e6b [0,0,0,1,0,0|2,0,0]=3 6707 B12R1.143 O=C(O)CCCOC[C@@H]1C[C@H]1F deea1189434eabcb14e93b4dbb0fde6d [0,0,0,1,0,0|2,0,0]=3 6708 B12R1.143 O=C(O)CCCOC[C@H]1C[C@@H]1F 9aac9b95d9f356d20d55a1201d00b0d6 [0,0,0,1,0,0|2,0,0]=3 6709 B12R1.143 O=C(O)CCCOC[C@H]1C[C@H]1F 908f8de97b777ed0e5912c9d38a8e474 [0,0,0,1,0,0|2,0,0]=3 6710 B12R1.143 O=C(O)COCCN[C@@H]1C[C@H]1F 105f77e54b580fd51e716dddb9f97129 [0,0,0,1,0,0|3,0,0]=4 6711 B12R1.143 O=C(O)COCCN[C@H]1C[C@@H]1F 73fe6a8ad60730a6fe9dddccf3adb3e4 [0,0,0,1,0,0|3,0,0]=4 6712 B12R1.143 O=C(O)COCCN[C@H]1C[C@H]1F 789c9f1431116935e25a9d19376521d0 [0,0,0,1,0,0|3,0,0]=4 6713 B12R1.162 CC(=O)CCN1CCC1CCO 73903ad813f653af915925c4ffbb7c13 [0,0,0,1,0,0|3,0,0]=4 6714 B12R1.162 COCC1CCN1CCC(=O)C 98cd2b9f3c4c89ad4121949a93d20174 [0,0,0,1,0,0|3,0,0]=4 6715 B12R1.162 COCC1CCN1CCC(=O)N fcb8ed7f9eb3211797092fc4acb37389 [0,0,0,1,0,0|3,0,0]=4 6716 B12R1.162 COCC1CCN1CCC(=O)O 7005144f56b54fed23b75d61614f4684 [0,0,0,1,0,0|2,0,0]=3 6717 B12R1.162 COC[C@@H]1CCN1CCC(=O)C 59b1a3621c739f17e0cc41ede224b9c4 [0,0,0,1,0,0|3,0,0]=4 6718 B12R1.162 COC[C@@H]1CCN1CCC(=O)N 67f4da7af75aae9ab3f87eddf2bd66dd [0,0,0,1,0,0|3,0,0]=4 6719 B12R1.162 COC[C@@H]1CCN1CCC(=O)O ee3a4487e0082c18533c225ffddff8f5 [0,0,0,1,0,0|2,0,0]=3 6720 B12R1.162 COC[C@H]1CCN1CCC(=O)C cc2ab9521475c01d3fbfbc6f171fa6be [0,0,0,1,0,0|3,0,0]=4 6721 B12R1.162 COC[C@H]1CCN1CCC(=O)N 4eaa8861140f2357876e4d2d0f2de0a0 [0,0,0,1,0,0|3,0,0]=4 6722 B12R1.162 COC[C@H]1CCN1CCC(=O)O fa7234543163201d08fbba01c3fc3271 [0,0,0,1,0,0|2,0,0]=3 6723 B12R1.162 NC(=O)CCN1CCC1CCO ab2edb8c4e9b707f7fe2f12097909a03 [0,0,0,1,0,0|3,0,0]=4 6724 B12R1.162 O=C(O)CCN1CCC1CCO b9fa8e1df47e2deb4b6f76d3f259b48d [0,0,0,1,0,0|2,0,0]=3 6725 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(=O)C 630297e9e3943c4536f74dc3cb5ab14a [0,0,0,1,0,0|3,0,0]=4 6726 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(=O)N 868624e7fe0cfa20140b01ac7b54e677 [0,0,0,1,0,0|3,0,0]=4 6727 B12R1.188 COC[C@@H]1C[C@@H]1NCCC(=O)O 8d17b0757085bb88eac43343c9e1a826 [0,0,0,1,0,0|2,0,0]=3 6728 B12R1.188 COC[C@H]1C[C@@H]1NCCC(=O)C 8ae8c17634f9abdaacdad0d5065e34d7 [0,0,0,1,0,0|3,0,0]=4 6729 B12R1.188 COC[C@H]1C[C@@H]1NCCC(=O)N eba07ca0aad24e9ee56a927b3acc9dcd [0,0,0,1,0,0|3,0,0]=4 6730 B12R1.188 COC[C@H]1C[C@@H]1NCCC(=O)O 2e8f83420de3d1b7ed297819f353b5fd [0,0,0,1,0,0|2,0,0]=3 6731 B12R1.210 C=C(Br)CN1CCCCCC1C 9bb9658bf36e022ad13420ca06b1b7e2 [0,0,0,1,0,0|3,0,0]=4 6732 B12R1.210 C=C(C)CN1CCCCCC1C 5bbb6611371a85d3a4f1e4e0d03ef0a5 [0,0,0,1,0,0|3,0,0]=4 6733 B12R1.210 C=C(Cl)CN1CCCCCC1C cc0157b5ee0fddb9e29db76b5eb98a32 [0,0,0,1,0,0|3,0,0]=4 6734 B12R1.210 C=C(F)CN1CCCCCC1C 3db8c57f27b532ebf299b233c5fcbb8c [0,0,0,1,0,0|3,0,0]=4 6735 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@@H]1O d97606515079f22e5f040090aed00859 [0,0,0,1,0,0|3,0,0]=4 6736 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@H]1O b04bc8b7e5ab82f1b5a242064aa1d787 [0,0,0,1,0,0|3,0,0]=4 6737 B12R1.210 CC(=O)N[C@H]1CCCCC[C@@H]1O 141c788f677122fe76033d871b80fe1f [0,0,0,1,0,0|3,0,0]=4 6738 B12R1.210 CC(O)CN1CCCCCC1C 24097186230ad28b9b3fb73e0d0c63bc [0,0,0,1,0,0|2,0,1]=4 6739 B12R1.210 CC1CCCCCN1CC(=O)N 1ba9764a7dda4517a3d61f868174c957 [0,0,0,1,0,0|2,0,0]=3 6740 B12R1.210 CC1CCCCCN1CC(=O)O 32a1dc2217e57877c80e95a979b40d16 [0,0,0,1,0,0|1,0,0]=2 6741 B12R1.210 CC1CCCCCN1C[C@@H](C)O a505e0219aee70a874a749d791fe50e4 [0,0,0,1,0,0|2,0,1]=4 6742 B12R1.210 CC1CCCCCN1C[C@H](C)O 5f8487efc4d7409925de831e5d191737 [0,0,0,1,0,0|2,0,1]=4 6743 B12R1.210 CC1CCCCCN1C[N+](=O)[O-] 07cd24bed33aeeab537d0e3dfd33bf1e [0,0,0,1,0,0|2,0,1]=4 6744 B12R1.210 CC1CCOCCN1CC(=O)N 9d947d0ea2fb91b6b14a938d0cb2523e [0,0,0,1,0,0|3,0,0]=4 6745 B12R1.210 CC1CCOCCN1CC(=O)O e49e60131af88d9cd4bb949ab4d44773 [0,0,0,1,0,0|2,0,0]=3 6746 B12R1.210 CC1CCSCCN1CC(=O)N 6288a51131b7f83e7f71bd77fda81d09 [0,0,0,1,0,0|3,0,0]=4 6747 B12R1.210 CC1CCSCCN1CC(=O)O 9190cd63c5a2d59cb58140d11f4b5608 [0,0,0,1,0,0|2,0,0]=3 6748 B12R1.210 CC1COCCCN1CC(=O)N 6fd3b3e44499f9be210995af5c5f42a9 [0,0,0,1,0,0|3,0,0]=4 6749 B12R1.210 CC1COCCCN1CC(=O)O deb0773aa7744dfd490453c59c2f71af [0,0,0,1,0,0|2,0,0]=3 6750 B12R1.229 C=C(C)CCCN[C@@H]1CC[C@H]1C 6eb3f68f8e5e011dfd24c82a038607dd [0,0,0,1,0,0|3,0,0]=4 6751 B12R1.229 C=C(C)CCCN[C@H]1CC[C@H]1C 6a421fee9a4c3883ea796aab95969167 [0,0,0,1,0,0|3,0,0]=4 6752 B12R1.229 CC(=O)CCCNC1CCC1F 0bbbbcb8a5f0232f319695543940b6b9 [0,0,0,1,0,0|3,0,0]=4 6753 B12R1.229 CC(=O)CCCNC1CCC1O 39ed86646414dcbefe0a5d7460ad157b [0,0,0,1,0,0|3,0,0]=4 6754 B12R1.229 CC(=O)CCCNC1COC1C 656cae13bc40569e1a9b182181440fa4 [0,0,0,1,0,0|3,0,0]=4 6755 B12R1.229 CC(=O)CCCN[C@@H]1CC[C@@H]1O 4b2555222a90b5109c2f8f48933103fd [0,0,0,1,0,0|3,0,0]=4 6756 B12R1.229 CC(=O)CCCN[C@@H]1CC[C@H]1C ae3ba55c4c5c76126d7eae87df30d420 [0,0,0,1,0,0|2,0,0]=3 6757 B12R1.229 CC(=O)CCCN[C@@H]1CC[C@H]1O c91f72a49933848df5e26ccaf99d87e6 [0,0,0,1,0,0|3,0,0]=4 6758 B12R1.229 CC(=O)CCCN[C@H]1CC[C@@H]1O 2b009ea2c2557ea1f7ffbac6fff69b43 [0,0,0,1,0,0|3,0,0]=4 6759 B12R1.229 CC(=O)CCCN[C@H]1CC[C@H]1C 8667365698507ddc20123017f98402f7 [0,0,0,1,0,0|2,0,0]=3 6760 B12R1.229 CC(=O)CCCN[C@H]1CC[C@H]1O cf8fdf8864a0d482fc376dfe1ad0b9a4 [0,0,0,1,0,0|3,0,0]=4 6761 B12R1.229 CC(=O)CCCOC1COC1C 89a9e583b66aefc3c1a8f63d3c436f2b [0,0,0,1,0,0|3,0,0]=4 6762 B12R1.229 CC(=O)CCNCC1CCN1C a83ef37847992ae845c9cce5053e597d [0,0,0,1,0,0|3,0,0]=4 6763 B12R1.229 CC(=O)CCOCC1CCC1F db26d4b42b20a813974efb9d356df594 [0,0,0,1,0,0|3,0,0]=4 6764 B12R1.229 CC(=O)CCOCC1CCN1C 3ad62e1afda92ca2c1a3fea966763b48 [0,0,0,1,0,0|3,0,0]=4 6765 B12R1.229 CC(=O)CCOC[C@@H]1CCN1C 2ced47ca82f47c76355cc09963c0369f [0,0,0,1,0,0|3,0,0]=4 6766 B12R1.229 CC(=O)CCOC[C@H]1CCN1C 186b65a9dbdb05365b81d1d8342c46a5 [0,0,0,1,0,0|3,0,0]=4 6767 B12R1.229 CC(=O)NCCN[C@@H]1CC[C@H]1C cc8d6746d3fb8eef0fbd158723e2cc77 [0,0,0,1,0,0|3,0,0]=4 6768 B12R1.229 CC(=O)NCCN[C@H]1CC[C@H]1C 017297a887ed317f706f696760909da6 [0,0,0,1,0,0|3,0,0]=4 6769 B12R1.229 CC(=O)OCCN[C@@H]1CC[C@H]1C 76ece82bf3d16a9223f7e87ce2a2fdb6 [0,0,0,1,0,0|3,0,0]=4 6770 B12R1.229 CC(=O)OCCN[C@H]1CC[C@H]1C 123b6e9734445027c15bd251622a7e49 [0,0,0,1,0,0|3,0,0]=4 6771 B12R1.229 CC(=O)SCCN[C@@H]1CC[C@H]1C 06e1e2758f09a23ea61ca1bf01c510a3 [0,0,0,1,0,0|3,0,0]=4 6772 B12R1.229 CC(=O)SCCN[C@H]1CC[C@H]1C 55183d1a7bfe942766216a4c7858977e [0,0,0,1,0,0|3,0,0]=4 6773 B12R1.229 CC(O)CCCN[C@@H]1CC[C@H]1C f49922c3ceaf2294c5e48ce72fd9c9a7 [0,0,0,1,0,0|2,0,1]=4 6774 B12R1.229 CC(O)CCCN[C@H]1CC[C@H]1C d0584c099cb2acb5d867307a3f07d4f5 [0,0,0,1,0,0|2,0,1]=4 6775 B12R1.229 CC1OCC1NCCCC(=O)N 512316903041f0a4c7bfe9cd61120ae5 [0,0,0,1,0,0|3,0,0]=4 6776 B12R1.229 CC1OCC1NCCCC(=O)O 7f72356b0861287813eb8b5dcc4763da [0,0,0,1,0,0|2,0,0]=3 6777 B12R1.229 CC1OCC1OCCCC(=O)N 60dd9e27e8398735f282eafb08ff37a5 [0,0,0,1,0,0|3,0,0]=4 6778 B12R1.229 CC1OCC1OCCCC(=O)O 8591489d449c2fe621b3ecfec5cababd [0,0,0,1,0,0|2,0,0]=3 6779 B12R1.229 CN1CCC1CNCCC(=O)N 1ccdeb463b714abf7122629f581f98f3 [0,0,0,1,0,0|3,0,0]=4 6780 B12R1.229 CN1CCC1CNCCC(=O)O c71f992cd844fff99bbbd4c84ca513f7 [0,0,0,1,0,0|2,0,0]=3 6781 B12R1.229 CN1CCC1COCCC(=O)N dbef58476ea7a1ffeee6737edd99e436 [0,0,0,1,0,0|3,0,0]=4 6782 B12R1.229 CN1CCC1COCCC(=O)O 5ba2eb2c34b61d4c5d543afad4726141 [0,0,0,1,0,0|2,0,0]=3 6783 B12R1.229 CN1CC[C@@H]1COCCC(=O)N 2362dd00a89a546487525a585758f840 [0,0,0,1,0,0|3,0,0]=4 6784 B12R1.229 CN1CC[C@@H]1COCCC(=O)O df4ceb091af7a65ca583aa4a752587f6 [0,0,0,1,0,0|2,0,0]=3 6785 B12R1.229 CN1CC[C@H]1COCCC(=O)N a0e8fadf65cbc814f71e51eb4f860c4f [0,0,0,1,0,0|3,0,0]=4 6786 B12R1.229 CN1CC[C@H]1COCCC(=O)O 00922ca62d4e383dca53117cb6227737 [0,0,0,1,0,0|2,0,0]=3 6787 B12R1.229 C[C@@H]1CC[C@@H]1NC/C=C/C(=O)O b60f0e8def64a0e8156c4f50855d3f23 [0,0,0,1,0,0|1,0,2]=4 6788 B12R1.229 C[C@@H]1CC[C@@H]1NCC=CC(=O)O 774a40e6627c9d38dd987aaade66a0e9 [0,0,0,1,0,0|1,0,2]=4 6789 B12R1.229 C[C@@H]1CC[C@@H]1NCCCC(=O)N 0260a39f87db72bbce10557907ca6844 [0,0,0,1,0,0|2,0,0]=3 6790 B12R1.229 C[C@@H]1CC[C@@H]1NCCCC(=O)O 4c9067773c0d714dbacc323c077e4124 [0,0,0,1,0,0|1,0,0]=2 6791 B12R1.229 C[C@@H]1CC[C@@H]1NCCC[N+](=O)[O-] 45e3b1fc3b2b5b213af0d5b0c4ab8ac2 [0,0,0,1,0,0|2,0,1]=4 6792 B12R1.229 C[C@@H]1CC[C@@H]1NCCNC(=O)N 4e20fff988293ed681f2738dbbb3dc98 [0,0,0,1,0,0|3,0,0]=4 6793 B12R1.229 C[C@@H]1CC[C@H]1NC/C=C/C(=O)O f990c84e427c7229e1184f4cbe967615 [0,0,0,1,0,0|1,0,2]=4 6794 B12R1.229 C[C@@H]1CC[C@H]1NCC=CC(=O)O 4a2fd3dfef3981d0f748a810c1b966b4 [0,0,0,1,0,0|1,0,2]=4 6795 B12R1.229 C[C@@H]1CC[C@H]1NCCCC(=O)N 5d9cca07ca4be75bb2ce7052d4acf595 [0,0,0,1,0,0|2,0,0]=3 6796 B12R1.229 C[C@@H]1CC[C@H]1NCCCC(=O)O a7d50323b924d74a01366ddd9cf91e00 [0,0,0,1,0,0|1,0,0]=2 6797 B12R1.229 C[C@@H]1CC[C@H]1NCCC[N+](=O)[O-] 551696c800a7ae7953e0c190b6777f3a [0,0,0,1,0,0|2,0,1]=4 6798 B12R1.229 C[C@@H]1CC[C@H]1NCCNC(=O)N 99f5a49fca64eba4603b67aa5ba87463 [0,0,0,1,0,0|3,0,0]=4 6799 B12R1.229 NC(=O)CCCNC1CCC1F 901813b595153db95c0e2bd1ed2f6981 [0,0,0,1,0,0|3,0,0]=4 6800 B12R1.229 NC(=O)CCCNC1CCC1O 1e067075f8ba9118baa6c3000b8bfd2d [0,0,0,1,0,0|3,0,0]=4 6801 B12R1.229 NC(=O)CCCN[C@@H]1CC[C@@H]1O af67c972accaddf64a3b05b1b789abbd [0,0,0,1,0,0|3,0,0]=4 6802 B12R1.229 NC(=O)CCCN[C@@H]1CC[C@H]1O 41164316fc2dba878bfdefa18009a9ba [0,0,0,1,0,0|3,0,0]=4 6803 B12R1.229 NC(=O)CCCN[C@H]1CC[C@@H]1O 7eadd3ee3e4c9c28dff2d17e37a2f8db [0,0,0,1,0,0|3,0,0]=4 6804 B12R1.229 NC(=O)CCCN[C@H]1CC[C@H]1O 37906ad39edde5970645908a2d971c39 [0,0,0,1,0,0|3,0,0]=4 6805 B12R1.229 NC(=O)CCOCC1CCC1F c57ef5dff889b33b3ac0e50f579e7a0a [0,0,0,1,0,0|3,0,0]=4 6806 B12R1.229 O=C(O)CCCNC1CCC1F bf54b568a4f22cf655e22c73d2258a91 [0,0,0,1,0,0|2,0,0]=3 6807 B12R1.229 O=C(O)CCCNC1CCC1O e5ffcad87bc21bcd1662d40a29f06499 [0,0,0,1,0,0|2,0,0]=3 6808 B12R1.229 O=C(O)CCCN[C@@H]1CC[C@@H]1O 672e46ba714fd029590ad63f0e2dd438 [0,0,0,1,0,0|2,0,0]=3 6809 B12R1.229 O=C(O)CCCN[C@@H]1CC[C@H]1O a71b5f5e9b0860651cde1b88c85d702b [0,0,0,1,0,0|2,0,0]=3 6810 B12R1.229 O=C(O)CCCN[C@H]1CC[C@@H]1O ff68eac0f1c3bcd0b592ff1cd9d88729 [0,0,0,1,0,0|2,0,0]=3 6811 B12R1.229 O=C(O)CCCN[C@H]1CC[C@H]1O ab16c8b1e6b2a05582c065c517ff1929 [0,0,0,1,0,0|2,0,0]=3 6812 B12R1.229 O=C(O)CCOCC1CCC1=O e7217f534eb2e1b11fd19c3bd0026f82 [0,0,0,1,0,0|2,0,1]=4 6813 B12R1.229 O=C(O)CCOCC1CCC1F 9f6d2507853c0b103e336bb6a3ade9b6 [0,0,0,1,0,0|2,0,0]=3 6814 B12R1.229 O=C(O)CNCCC1CCC1=O abb9435f35487792de2ee5b750d69784 [0,0,0,1,0,0|2,0,1]=4 6815 B12R1.229 O=C(O)COCCC1CCC1=O 4dbb5e9c52bc71a1907e517a853e2aba [0,0,0,1,0,0|2,0,1]=4 6816 B12R1.252 C=C(Br)CCOC1CCCCC1 59afeae8f2db5f92bb612172eb89b20e [0,0,0,1,0,0|3,0,0]=4 6817 B12R1.252 C=C(Br)CNCC1CCCCC1 3cd7fe70cd132c447f104527e1b0984e [0,0,0,1,0,0|3,0,0]=4 6818 B12R1.252 C=C(Br)COCC1CCCCC1 5fb110863849dcec2b93bdb572eb46f4 [0,0,0,1,0,0|3,0,0]=4 6819 B12R1.252 C=C(C)CCNC1CCCCC1 420dcb02e1ae627fd65550a58fbaa5d6 [0,0,0,1,0,0|3,0,0]=4 6820 B12R1.252 C=C(C)CCOC1CCCCC1 f56ba0adb90104f8e9998ca09c1fc244 [0,0,0,1,0,0|3,0,0]=4 6821 B12R1.252 C=C(C)CNCC1CCCCC1 d33d68ab421ce5cea3a2e77c92db2cc2 [0,0,0,1,0,0|3,0,0]=4 6822 B12R1.252 C=C(C)COCC1CCCCC1 190678baf478f378d21d5dc57a40d4d4 [0,0,0,1,0,0|3,0,0]=4 6823 B12R1.252 C=C(Cl)CNCC1CCCCC1 1e448b47b78a9c04a29a6e6d5eacb43f [0,0,0,1,0,0|3,0,0]=4 6824 B12R1.252 C=C(Cl)COCC1CCCCC1 cb50f0dff8bb117c6972bf99804073d7 [0,0,0,1,0,0|3,0,0]=4 6825 B12R1.252 C=C(F)CNCC1CCCCC1 a32c836a9777e7051b1e1425ab56e2e2 [0,0,0,1,0,0|3,0,0]=4 6826 B12R1.252 C=C(F)COCC1CCCCC1 3962095ed739a129d04a2b6b1fe4a91d [0,0,0,1,0,0|3,0,0]=4 6827 B12R1.252 C=C(I)COCC1CCCCC1 d831ea9ce5e45d71bf4a7b12ef2ba7e2 [0,0,0,1,0,0|3,0,0]=4 6828 B12R1.252 CC(=O)CCCN1CCCOC1 2eb72f2205f6f800d5b974749d29f309 [0,0,0,1,0,0|3,0,0]=4 6829 B12R1.252 CC(=O)CCCN1CCCSC1 614c31ca0a71f1dc2596c64ff1400868 [0,0,0,1,0,0|3,0,0]=4 6830 B12R1.252 CC(=O)CCCN1CCOCC1 3e86b0cff804767e794002e5e0f53c50 [0,0,0,1,0,0|3,0,0]=4 6831 B12R1.252 CC(=O)CCCN1CCSCC1 398b22c022c40fce8181343c54f1822c [0,0,0,1,0,0|3,0,0]=4 6832 B12R1.252 CC(=O)CCNC1CCCOC1 8d49fb3915e035615e29b17c6322b655 [0,0,0,1,0,0|3,0,0]=4 6833 B12R1.252 CC(=O)CCNC1CCOCC1 847de2955d7831e2c8028be4c240abeb [0,0,0,1,0,0|3,0,0]=4 6834 B12R1.252 CC(=O)CCNC1CCSCC1 eeeef105562c0ef7693fc130d7db750c [0,0,0,1,0,0|3,0,0]=4 6835 B12R1.252 CC(=O)CCN[C@@H]1CCCOC1 00a39d229f4dc8014e190211afbbd86d [0,0,0,1,0,0|3,0,0]=4 6836 B12R1.252 CC(=O)CCN[C@H]1CCCOC1 d049749e5253ce9d578de4c4c7347340 [0,0,0,1,0,0|3,0,0]=4 6837 B12R1.252 CC(=O)CCOC1CCCCC1 e4251c9461462d5687b8cd3122a2cce2 [0,0,0,1,0,0|2,0,0]=3 6838 B12R1.252 CC(=O)CCOC1CCCCO1 108759f6b4bc97fa5af44deac9cfc0a5 [0,0,0,1,0,0|3,0,0]=4 6839 B12R1.252 CC(=O)CCOC1CCCOC1 481154ba71f12ccb8d6d5cbb734ecb20 [0,0,0,1,0,0|3,0,0]=4 6840 B12R1.252 CC(=O)CCOC1CCCSC1 b9e953e7bdf3e4927740cb75eebc6e68 [0,0,0,1,0,0|3,0,0]=4 6841 B12R1.252 CC(=O)CCOC1CCOCC1 4a98e1ef6871431dd658800e0c279268 [0,0,0,1,0,0|3,0,0]=4 6842 B12R1.252 CC(=O)CCOC1CCSCC1 91e64d2b72fc5a5957392e690aa14867 [0,0,0,1,0,0|3,0,0]=4 6843 B12R1.252 CC(=O)CCO[C@@H]1CCCOC1 e1c3e6247df07a6df26b92f464824b11 [0,0,0,1,0,0|3,0,0]=4 6844 B12R1.252 CC(=O)CCO[C@H]1CCCOC1 bc802c6fd71d818f66e5c3ccc6331a37 [0,0,0,1,0,0|3,0,0]=4 6845 B12R1.252 CC(=O)CNCC1CCCCC1 5af34adf99db67dd0b4c9e762216606c [0,0,0,1,0,0|2,0,0]=3 6846 B12R1.252 CC(=O)CNCC1CCCCO1 51de72d48eab8eef34cb4ffbe7252314 [0,0,0,1,0,0|3,0,0]=4 6847 B12R1.252 CC(=O)CNCC1CCCOC1 06b55e061830c4632846f9b9169cf8c4 [0,0,0,1,0,0|3,0,0]=4 6848 B12R1.252 CC(=O)CNCC1CCOCC1 ec3af1f16450131569195528b22825a5 [0,0,0,1,0,0|3,0,0]=4 6849 B12R1.252 CC(=O)CNCC1CCSCC1 6e99058d395d68e23c46cc92fab38e78 [0,0,0,1,0,0|3,0,0]=4 6850 B12R1.252 CC(=O)COCC1CCCCC1 9d264feb1e18e4c3f2aaf1dd03fdd588 [0,0,0,1,0,0|2,0,0]=3 6851 B12R1.252 CC(=O)COCC1CCCCO1 e39e36731578819aee762595ee0b506f [0,0,0,1,0,0|3,0,0]=4 6852 B12R1.252 CC(=O)COCC1CCCOC1 26488f5cbefe56de1755fbc6f001ea51 [0,0,0,1,0,0|3,0,0]=4 6853 B12R1.252 CC(=O)COCC1CCOCC1 0fc17a931d4a783355d92250b6eccebd [0,0,0,1,0,0|3,0,0]=4 6854 B12R1.252 CC(=O)COCC1CCSCC1 31e63a5aa796e448db0316ca56f39340 [0,0,0,1,0,0|3,0,0]=4 6855 B12R1.252 CC(=O)NCCC1CCCCC1 6b26a3d89dc79374fdd398a6ae5f443e [0,0,0,1,0,0|2,0,0]=3 6856 B12R1.252 CC(=O)NCCC1CCCCO1 5263ca438c1483f9fa7c254a8f0057e4 [0,0,0,1,0,0|3,0,0]=4 6857 B12R1.252 CC(=O)NCCC1CCCOC1 38137e7f49a6115863069ace631217d8 [0,0,0,1,0,0|3,0,0]=4 6858 B12R1.252 CC(=O)NCCC1CCOCC1 93b20928782585b6bd234be8831a5e6e [0,0,0,1,0,0|3,0,0]=4 6859 B12R1.252 CC(=O)NCCC1CCSCC1 63ef1abcb04cfd3fac909f98c227d99b [0,0,0,1,0,0|3,0,0]=4 6860 B12R1.252 CC(=O)NCCN1CCCCC1 8225e5e21c54f82ff30634f87d230df8 [0,0,0,1,0,0|3,0,0]=4 6861 B12R1.252 CC(=O)NCOC1CCCCC1 239f424b2c92ff1c4c24d765d449e74c [0,0,0,1,0,0|3,0,0]=4 6862 B12R1.252 CC(=O)OCOC1CCCCC1 6d572aaaddfe84fdba304200896cbcce [0,0,0,1,0,0|3,0,0]=4 6863 B12R1.252 CC(O)CCNC1CCCCC1 520eb6162ef0b970738c856512a30acd [0,0,0,1,0,0|2,0,1]=4 6864 B12R1.252 CC(O)CNCC1CCCCC1 9242cd9cf543cf00889fce3d740d211e [0,0,0,1,0,0|2,0,1]=4 6865 B12R1.252 CS(=O)CCNC1CCCCC1 21454a01e08c285db1a5566d9452a1a0 [0,0,0,1,0,0|3,0,0]=4 6866 B12R1.252 CS(=O)CCOC1CCCCC1 554ef7ac6072f0df6dc6125fa74c6605 [0,0,0,1,0,0|3,0,0]=4 6867 B12R1.252 C[C@@H](O)CCNC1CCCCC1 2bd7253c4667a7d99b6f51e894873ca0 [0,0,0,1,0,0|2,0,1]=4 6868 B12R1.252 C[C@@H](O)CNCC1CCCCC1 3a9bbfcdeca94a96b7075e7ac0da4604 [0,0,0,1,0,0|2,0,1]=4 6869 B12R1.252 C[C@H](O)CCNC1CCCCC1 cf9077ff7721c9be8e6fcd5f484c545f [0,0,0,1,0,0|2,0,1]=4 6870 B12R1.252 C[C@H](O)CNCC1CCCCC1 850814ff1efd41e3b6bc80675fe903cd [0,0,0,1,0,0|2,0,1]=4 6871 B12R1.252 NC(=O)CCCN1CCCOC1 d442a044c06bdc8457da2a30a5c206f2 [0,0,0,1,0,0|3,0,0]=4 6872 B12R1.252 NC(=O)CCCN1CCCSC1 db430f15ebce2844383cae4018c33352 [0,0,0,1,0,0|3,0,0]=4 6873 B12R1.252 NC(=O)CCCN1CCOCC1 a05af780f5eb0cc293eb19e662de0e3e [0,0,0,1,0,0|3,0,0]=4 6874 B12R1.252 NC(=O)CCCN1CCSCC1 e1006a8e959cc53e32090ee38df5acba [0,0,0,1,0,0|3,0,0]=4 6875 B12R1.252 NC(=O)CCNC1CCCCC1 9697a4f336e64f4aad5af0e2dc5b28b3 [0,0,0,1,0,0|2,0,0]=3 6876 B12R1.252 NC(=O)CCNC1CCCCO1 6ede9a1a12bde8802d6290d4e0b7ed1e [0,0,0,1,0,0|3,0,0]=4 6877 B12R1.252 NC(=O)CCNC1CCCOC1 dc3ff1b70d8ea13570af4495dae79123 [0,0,0,1,0,0|3,0,0]=4 6878 B12R1.252 NC(=O)CCNC1CCOCC1 e544749e1a043950c7d117c6db074a50 [0,0,0,1,0,0|3,0,0]=4 6879 B12R1.252 NC(=O)CCNC1CCSCC1 6c682ed31db8a0e8e1c7bac7390a0296 [0,0,0,1,0,0|3,0,0]=4 6880 B12R1.252 NC(=O)CCN[C@@H]1CCCOC1 0d7730348204179f0227eedb6e6ab651 [0,0,0,1,0,0|3,0,0]=4 6881 B12R1.252 NC(=O)CCN[C@H]1CCCOC1 8180811feed1ec5d49f8a96b79ca954d [0,0,0,1,0,0|3,0,0]=4 6882 B12R1.252 NC(=O)CCOC1CCCCC1 0e04e76becbda8e45ae40d72d4c59104 [0,0,0,1,0,0|2,0,0]=3 6883 B12R1.252 NC(=O)CCOC1CCCCO1 0492ea8ff78a5ee1d358d4872a0e7b06 [0,0,0,1,0,0|3,0,0]=4 6884 B12R1.252 NC(=O)CCOC1CCCOC1 974323a2ed211a488982d13f90a6b5fc [0,0,0,1,0,0|3,0,0]=4 6885 B12R1.252 NC(=O)CCOC1CCCSC1 ae0b06c5fed0c146186b1e6bcd2007b5 [0,0,0,1,0,0|3,0,0]=4 6886 B12R1.252 NC(=O)CCOC1CCOCC1 16e2c98c6a7d6cf0953a13d547d127da [0,0,0,1,0,0|3,0,0]=4 6887 B12R1.252 NC(=O)CCOC1CCSCC1 a19d557ceeab86122fbbe5ab66007629 [0,0,0,1,0,0|3,0,0]=4 6888 B12R1.252 NC(=O)CCO[C@@H]1CCCOC1 5318eddda8b480f3dee0d7dcbc5aec44 [0,0,0,1,0,0|3,0,0]=4 6889 B12R1.252 NC(=O)CCO[C@H]1CCCOC1 1e956b31a871d722e36e2e40062d4cb1 [0,0,0,1,0,0|3,0,0]=4 6890 B12R1.252 NC(=O)CNCC1CCCCC1 c5ba6ef3a651889e8401aafcf759d0e2 [0,0,0,1,0,0|2,0,0]=3 6891 B12R1.252 NC(=O)CNCC1CCCCO1 b9e40dba62852cd166d5274fb97038fd [0,0,0,1,0,0|3,0,0]=4 6892 B12R1.252 NC(=O)CNCC1CCCOC1 fca4ddaf0aa3d2bb977005378fcfa236 [0,0,0,1,0,0|3,0,0]=4 6893 B12R1.252 NC(=O)CNCC1CCOCC1 52ab51ad55e83e6b621c68c96bf020be [0,0,0,1,0,0|3,0,0]=4 6894 B12R1.252 NC(=O)CNCC1CCSCC1 3084828081b49218d9b1cee7a96cf6a1 [0,0,0,1,0,0|3,0,0]=4 6895 B12R1.252 NC(=O)CNC[C@@H]1CCCOC1 48d14c3068372b236bd989425667286d [0,0,0,1,0,0|3,0,0]=4 6896 B12R1.252 NC(=O)CNC[C@H]1CCCOC1 72df29eec723143ac16f26c37f8fd99f [0,0,0,1,0,0|3,0,0]=4 6897 B12R1.252 NC(=O)COCC1CCCCC1 81e5f49f9102ef87d945f89309f62128 [0,0,0,1,0,0|2,0,0]=3 6898 B12R1.252 NC(=O)COCC1CCCCO1 eb9690a241d3b3b0986881c344943053 [0,0,0,1,0,0|3,0,0]=4 6899 B12R1.252 NC(=O)COCC1CCCOC1 b5810f64f888d5093338a3f2989bc9af [0,0,0,1,0,0|3,0,0]=4 6900 B12R1.252 NC(=O)COCC1CCOCC1 98a4f16f2f9381c791d1563411adc0e3 [0,0,0,1,0,0|3,0,0]=4 6901 B12R1.252 NC(=O)COCC1CCSCC1 377d84f0bba3b026060ce9ccdc3889c9 [0,0,0,1,0,0|3,0,0]=4 6902 B12R1.252 NC(=O)COC[C@@H]1CCCCO1 6404537517e7750e1e412a5bb4f27324 [0,0,0,1,0,0|3,0,0]=4 6903 B12R1.252 NC(=O)COC[C@@H]1CCCOC1 f02e6c616d3754585b1015e3f9e0f15a [0,0,0,1,0,0|3,0,0]=4 6904 B12R1.252 NC(=O)COC[C@H]1CCCCO1 6be97babd2881ee8ac83dd83ffe09813 [0,0,0,1,0,0|3,0,0]=4 6905 B12R1.252 NC(=O)COC[C@H]1CCCOC1 be42ecd055b57f0dd2dbca150c89866e [0,0,0,1,0,0|3,0,0]=4 6906 B12R1.252 NC(=O)NCOC1CCCCC1 1820748cfa7a43d048d0b2aabbccfa6e [0,0,0,1,0,0|3,0,0]=4 6907 B12R1.252 NC(=O)SCOC1CCCCC1 f9447e34e273d86ddcfd71ab2eaec039 [0,0,0,1,0,0|3,0,0]=4 6908 B12R1.252 NC(=S)CCNC1CCCCC1 f80c216592e7463b04f5eb9558b16d62 [0,0,0,1,0,0|2,1,0]=4 6909 B12R1.252 NC(=S)COCC1CCCCC1 3d7a183cf220dbc037575215c0edf282 [0,0,0,1,0,0|2,1,0]=4 6910 B12R1.252 O=C(O)CCCN1CC=CCC1 1237550516cafec62978e785e75e0a54 [0,0,0,1,0,0|1,0,2]=4 6911 B12R1.252 O=C(O)CCCN1CCCSC1 a87adf4d2221f4db5a30022b73442100 [0,0,0,1,0,0|2,0,0]=3 6912 B12R1.252 O=C(O)CCCN1CCOCC1 e56fc0ea9907a4fc2043359fb4b1f3ba [0,0,0,1,0,0|2,0,0]=3 6913 B12R1.252 O=C(O)CCCN1CCSCC1 46bda9e6afdf08ec5213b8debeee34fa [0,0,0,1,0,0|2,0,0]=3 6914 B12R1.252 O=C(O)CCNC1C=CCCC1 decd1ee5a7e02399682e6d6f1010e718 [0,0,0,1,0,0|1,0,2]=4 6915 B12R1.252 O=C(O)CCNC1CCCCC1 f66ea53c90c672a0766bb4581e244543 [0,0,0,1,0,0|1,0,0]=2 6916 B12R1.252 O=C(O)CCNC1CCCCO1 1d0b66a0b5443c3f2d83397b7823a4e5 [0,0,0,1,0,0|2,0,0]=3 6917 B12R1.252 O=C(O)CCNC1CCCOC1 26858f9e315a2487fb44c06cca1eebc5 [0,0,0,1,0,0|2,0,0]=3 6918 B12R1.252 O=C(O)CCNC1CCOCC1 a525de16d4f8566a36cfe5581f6c81fd [0,0,0,1,0,0|2,0,0]=3 6919 B12R1.252 O=C(O)CCNC1CCSCC1 51fdb020763cd934bf114b10a9531752 [0,0,0,1,0,0|2,0,0]=3 6920 B12R1.252 O=C(O)CCNC1CSCSC1 96340fc137cad7a944a8ebd75c84eb55 [0,0,0,1,0,0|3,0,0]=4 6921 B12R1.252 O=C(O)CCN[C@@H]1CCCOC1 49190e64755d0e5a64bfe36c561ba53b [0,0,0,1,0,0|2,0,0]=3 6922 B12R1.252 O=C(O)CCN[C@H]1CCCOC1 e73b4b7db7ab2fcca32c43c820813279 [0,0,0,1,0,0|2,0,0]=3 6923 B12R1.252 O=C(O)CCOC1C=CCCC1 e9afc6bd34372e9176a506b58b77ae9d [0,0,0,1,0,0|1,0,2]=4 6924 B12R1.252 O=C(O)CCOC1CC=CCC1 b83b751c891fc91399f15a7754255dff [0,0,0,1,0,0|1,0,2]=4 6925 B12R1.252 O=C(O)CCOC1CCCCC1 b3cd5f51484769f962d8ff5f20fc9a7e [0,0,0,1,0,0|1,0,0]=2 6926 B12R1.252 O=C(O)CCOC1CCCCO1 720b283b63bd1a76b4a182ac03b3ff0d [0,0,0,1,0,0|2,0,0]=3 6927 B12R1.252 O=C(O)CCOC1CCCOC1 1f071491379f13e42cd4d2be0986c7f8 [0,0,0,1,0,0|2,0,0]=3 6928 B12R1.252 O=C(O)CCOC1CCCSC1 ab75856a40577c3b1dbe0a0296bd84bb [0,0,0,1,0,0|2,0,0]=3 6929 B12R1.252 O=C(O)CCOC1CCOCC1 065f76715a0c948f429b80bd869c8f02 [0,0,0,1,0,0|2,0,0]=3 6930 B12R1.252 O=C(O)CCOC1CCSCC1 4e0dd469b89c4b210f523294a221320a [0,0,0,1,0,0|2,0,0]=3 6931 B12R1.252 O=C(O)CCO[C@@H]1CCCOC1 c7049b0560329b8c2eff923903029ef6 [0,0,0,1,0,0|2,0,0]=3 6932 B12R1.252 O=C(O)CCO[C@H]1CCCOC1 8b521585454bb712f1c5cbd4a4f1f6b6 [0,0,0,1,0,0|2,0,0]=3 6933 B12R1.252 O=C(O)CNCC1=CCCCC1 769e78d9bfc629e90426b91caf3e6daf [0,0,0,1,0,0|1,0,2]=4 6934 B12R1.252 O=C(O)CNCC1CC=CCC1 6f6ab4e102a50c856a90b11ca04db3b6 [0,0,0,1,0,0|1,0,2]=4 6935 B12R1.252 O=C(O)CNCC1CCCCC1 06caf03ec055ddf04488cab225457e93 [0,0,0,1,0,0|1,0,0]=2 6936 B12R1.252 O=C(O)CNCC1CCCCO1 358a7855a489d883a1007d3f48b0b120 [0,0,0,1,0,0|2,0,0]=3 6937 B12R1.252 O=C(O)CNCC1CCCOC1 e1cff14f358accbd3adffc2ca85bd81a [0,0,0,1,0,0|2,0,0]=3 6938 B12R1.252 O=C(O)CNCC1CCOCC1 17d36004e03584173eaf7e6da440bf4c [0,0,0,1,0,0|2,0,0]=3 6939 B12R1.252 O=C(O)CNCC1CCSCC1 407d36c85d64a00f89552030ee525ec1 [0,0,0,1,0,0|2,0,0]=3 6940 B12R1.252 O=C(O)CNCC1COCCO1 9793d1233397b75a67a579d07c3e2fed [0,0,0,1,0,0|3,0,0]=4 6941 B12R1.252 O=C(O)CNC[C@@H]1CCCOC1 553c73a9106a5c62f6a17ff92d019359 [0,0,0,1,0,0|2,0,0]=3 6942 B12R1.252 O=C(O)CNC[C@H]1CCCOC1 efb2526cd28e859353d66f0ffe141e28 [0,0,0,1,0,0|2,0,0]=3 6943 B12R1.252 O=C(O)CNC[C@H]1COCCO1 b047bf73954b6c466bc3dafd29aa3ea6 [0,0,0,1,0,0|3,0,0]=4 6944 B12R1.252 O=C(O)COCC1CC=CCC1 49fe4b2780e81f10e6edd9df99742b7b [0,0,0,1,0,0|1,0,2]=4 6945 B12R1.252 O=C(O)COCC1CCCCC1 2c67702fa501448667ee0f733c062aa5 [0,0,0,1,0,0|1,0,0]=2 6946 B12R1.252 O=C(O)COCC1CCCCO1 cced68f30a8d574a9150a11361cdfd9a [0,0,0,1,0,0|2,0,0]=3 6947 B12R1.252 O=C(O)COCC1CCCOC1 6b88785be7e46522d12fb2691e12c218 [0,0,0,1,0,0|2,0,0]=3 6948 B12R1.252 O=C(O)COCC1CCOCC1 9c86f49928631e95208779d5f0ad2999 [0,0,0,1,0,0|2,0,0]=3 6949 B12R1.252 O=C(O)COCC1CCSCC1 614470b7e35814706520af2626c9bb92 [0,0,0,1,0,0|2,0,0]=3 6950 B12R1.252 O=C(O)COCC1COCCO1 dc35518940d4cc78575606a3f1b86184 [0,0,0,1,0,0|3,0,0]=4 6951 B12R1.252 O=C(O)COC[C@@H]1CC=CCC1 4b13a079a53698cd712b3bd47c8a1b8f [0,0,0,1,0,0|1,0,2]=4 6952 B12R1.252 O=C(O)COC[C@@H]1CCCCO1 be0a317d0d4cb038d84718e0966c9499 [0,0,0,1,0,0|2,0,0]=3 6953 B12R1.252 O=C(O)COC[C@@H]1CCCOC1 0d5048d1c439d16c9f4cb5a256bc8b02 [0,0,0,1,0,0|2,0,0]=3 6954 B12R1.252 O=C(O)COC[C@@H]1COCCO1 4fff52578e0c9ef6092046b9d8615086 [0,0,0,1,0,0|3,0,0]=4 6955 B12R1.252 O=C(O)COC[C@H]1CC=CCC1 22809140942008d39f5fb8a3e6a61aed [0,0,0,1,0,0|1,0,2]=4 6956 B12R1.252 O=C(O)COC[C@H]1CCCCO1 985d7de9c3ec61a80ffa9ac3f9e9ecb6 [0,0,0,1,0,0|2,0,0]=3 6957 B12R1.252 O=C(O)COC[C@H]1CCCOC1 d965b3fd933a24f45b8e632fa33c5faa [0,0,0,1,0,0|2,0,0]=3 6958 B12R1.252 O=C(O)COC[C@H]1COCCO1 9cf63b98d8392160709187775e54d06d [0,0,0,1,0,0|3,0,0]=4 6959 B12R1.252 O=S(O)CCNC1CCCCC1 bb8c76227f32fe42654dc69df7a70fd9 [0,0,0,1,0,0|2,0,0]=3 6960 B12R1.252 O=S(O)CCNC1CCCCO1 4e55613492da5b44bb942d4899afae55 [0,0,0,1,0,0|3,0,0]=4 6961 B12R1.252 O=S(O)CCNC1CCOCC1 2eae6b9f6f4310e1b40f08f190f24ad7 [0,0,0,1,0,0|3,0,0]=4 6962 B12R1.252 O=S(O)COCC1CCCCC1 72a8b3a537115ba9e1a0ca6773d866f3 [0,0,0,1,0,0|2,0,0]=3 6963 B12R1.252 O=S(O)COCC1CCCCO1 cbbf9cb44016bd7055e7a82867705888 [0,0,0,1,0,0|3,0,0]=4 6964 B12R1.252 O=S(O)COCC1CCCOC1 4261d82275ecf07effe5a766c792d250 [0,0,0,1,0,0|3,0,0]=4 6965 B12R1.252 O=S(O)COCC1CCOCC1 58a3409e76d779c7004ccf43c3588878 [0,0,0,1,0,0|3,0,0]=4 6966 B12R1.252 O=S(O)COCC1CCSCC1 6d9405fc488bf7473edb23f30f59c04f [0,0,0,1,0,0|3,0,0]=4 6967 B12R1.252 O=[N+]([O-])CCOC1CCCCC1 923e447b52d39584400ff0780d632f80 [0,0,0,1,0,0|2,0,1]=4 6968 B12R1.252 O=[N+]([O-])CNCC1CCCCC1 b604e4fe2f4deeb0caabf4ea245bf22b [0,0,0,1,0,0|2,0,1]=4 6969 B12R1.252 O=[N+]([O-])COCC1CCCCC1 b1f346a665b315d4253c75ad72f9f141 [0,0,0,1,0,0|2,0,1]=4 6970 B12R1.255 C=C(Br)CCOCC1CCCC1 4ae967365102737e5c48c641eb166f31 [0,0,0,1,0,0|3,0,0]=4 6971 B12R1.255 C=C(Br)CNCCC1CCCC1 6b5d0c77502c3e0cd3ac576e4970ef96 [0,0,0,1,0,0|3,0,0]=4 6972 B12R1.255 C=C(Br)COCCC1CCCC1 5db8a5bc9da9196da51d0bab4276d648 [0,0,0,1,0,0|3,0,0]=4 6973 B12R1.255 C=C(C)CCCNC1CCCC1 9a3c6c7831edbcfaf70618d9d9c8a08d [0,0,0,1,0,0|3,0,0]=4 6974 B12R1.255 C=C(C)CCCOC1CCCC1 11082a40e798c6d9e6cb289fc21a75b5 [0,0,0,1,0,0|3,0,0]=4 6975 B12R1.255 C=C(C)CCNCC1CCCC1 f796ad0befaa98ea800f8e8f23320052 [0,0,0,1,0,0|3,0,0]=4 6976 B12R1.255 C=C(C)CCOCC1CCCC1 101d7c542e236513cb3fd9b00277d6d5 [0,0,0,1,0,0|3,0,0]=4 6977 B12R1.255 C=C(C)CNCCC1CCCC1 7f003586eb2b48124d7bcff88818dfae [0,0,0,1,0,0|3,0,0]=4 6978 B12R1.255 C=C(C)COCCC1CCCC1 33f00194e87648ea4760f777c56c53cb [0,0,0,1,0,0|3,0,0]=4 6979 B12R1.255 C=C(Cl)CNCCC1CCCC1 4da42ee21ca1ccd98894bab66438a7b9 [0,0,0,1,0,0|3,0,0]=4 6980 B12R1.255 C=C(Cl)COCCC1CCCC1 309491d7f43f024e389aecedf3451ecb [0,0,0,1,0,0|3,0,0]=4 6981 B12R1.255 C=C(F)CNCCC1CCCC1 5a54e1b5e6e4925d281431a237e7378e [0,0,0,1,0,0|3,0,0]=4 6982 B12R1.255 C=C(F)COCCC1CCCC1 30560ba7496714379f056f4d8ebd62df [0,0,0,1,0,0|3,0,0]=4 6983 B12R1.255 C=C(I)COCCC1CCCC1 bf590588004f3961d2ff2ed9764d60d0 [0,0,0,1,0,0|3,0,0]=4 6984 B12R1.255 CC(=O)CCCCN1CCSC1 290bd02e76acccfb82bf46e049018130 [0,0,0,1,0,0|3,0,0]=4 6985 B12R1.255 CC(=O)CCCNC1CCCC1 9e1109b7a3870b23cd3bce982426e3e5 [0,0,0,1,0,0|2,0,0]=3 6986 B12R1.255 CC(=O)CCCNC1CCOC1 0b674cdb96c45850fb8a89f8244724b1 [0,0,0,1,0,0|3,0,0]=4 6987 B12R1.255 CC(=O)CCCNC1CCSC1 9c290b62677b0f5eff4ca6b937829b61 [0,0,0,1,0,0|3,0,0]=4 6988 B12R1.255 CC(=O)CCCN[C@@H]1CCOC1 703fdf857d2f5d09f1c5a62cd9f68b28 [0,0,0,1,0,0|3,0,0]=4 6989 B12R1.255 CC(=O)CCCN[C@H]1CCOC1 d3e82d2325cabaa45c11fd78d63aad35 [0,0,0,1,0,0|3,0,0]=4 6990 B12R1.255 CC(=O)CCCOC1CCCC1 5a7d0f5e8f7a4c82692c85ceb0de4502 [0,0,0,1,0,0|2,0,0]=3 6991 B12R1.255 CC(=O)CCCOC1CCCO1 e62ecc3bd27f86c1dd1a1e02039e7409 [0,0,0,1,0,0|3,0,0]=4 6992 B12R1.255 CC(=O)CCCOC1CCOC1 2e0d6acf6a9d42bfcc9638af99d0c943 [0,0,0,1,0,0|3,0,0]=4 6993 B12R1.255 CC(=O)CCCOC1CCSC1 ca6283948fde3cf033026258bf310e58 [0,0,0,1,0,0|3,0,0]=4 6994 B12R1.255 CC(=O)CCCO[C@@H]1CCOC1 fbaacafcce884e7598e5ff707ece86e7 [0,0,0,1,0,0|3,0,0]=4 6995 B12R1.255 CC(=O)CCCO[C@@H]1CCSC1 569e5f7071d41afe1887ddfb14ddf64c [0,0,0,1,0,0|3,0,0]=4 6996 B12R1.255 CC(=O)CCCO[C@H]1CCOC1 bc8cf9f299f34f554ebdfe4406a9d39d [0,0,0,1,0,0|3,0,0]=4 6997 B12R1.255 CC(=O)CCCO[C@H]1CCSC1 435102839b73281e8014b6829efd77a0 [0,0,0,1,0,0|3,0,0]=4 6998 B12R1.255 CC(=O)CCNCC1CCCC1 7ab3bcf2f5d55209d1046cb41a4c5d86 [0,0,0,1,0,0|2,0,0]=3 6999 B12R1.255 CC(=O)CCNCC1CCCO1 0536933df933c9b14636e7343219d0d5 [0,0,0,1,0,0|3,0,0]=4 7000 B12R1.255 CC(=O)CCNCC1CCOC1 37ddcc9adfd708ec8340a74b7e7cded5 [0,0,0,1,0,0|3,0,0]=4 7001 B12R1.255 CC(=O)CCNC[C@@H]1CCCO1 9c70aedd18fe6dcf41cf5fd863f52673 [0,0,0,1,0,0|3,0,0]=4 7002 B12R1.255 CC(=O)CCNC[C@@H]1CCOC1 490cb6f9e403f528ad6586d590238954 [0,0,0,1,0,0|3,0,0]=4 7003 B12R1.255 CC(=O)CCNC[C@H]1CCCO1 bd12f5c14720661fd13d78eabc543cfd [0,0,0,1,0,0|3,0,0]=4 7004 B12R1.255 CC(=O)CCNC[C@H]1CCOC1 c5a40a51122be6ed3a9074673526a34e [0,0,0,1,0,0|3,0,0]=4 7005 B12R1.255 CC(=O)CCOCC1CCCC1 efb5c67ae81af3413188f00bf5f3a603 [0,0,0,1,0,0|2,0,0]=3 7006 B12R1.255 CC(=O)CCOCC1CCCO1 0916a48a13ec185401a7a23dcd5c29c8 [0,0,0,1,0,0|3,0,0]=4 7007 B12R1.255 CC(=O)CCOCC1CCCS1 34566ee69ae58ea809e989100eb9c480 [0,0,0,1,0,0|3,0,0]=4 7008 B12R1.255 CC(=O)CCOCC1CCOC1 73a31730074b76c3a1fa4d7d91b981d0 [0,0,0,1,0,0|3,0,0]=4 7009 B12R1.255 CC(=O)CCOCN1CCCC1 7905270e0f0a6535aedc9a94720509d7 [0,0,0,1,0,0|3,0,0]=4 7010 B12R1.255 CC(=O)CCOC[C@@H]1CCCO1 9845b56e5286d28af189b464c4ac053c [0,0,0,1,0,0|3,0,0]=4 7011 B12R1.255 CC(=O)CCOC[C@@H]1CCOC1 06ec5110087b46e8d55d6ba6fc2dcfaa [0,0,0,1,0,0|3,0,0]=4 7012 B12R1.255 CC(=O)CCOC[C@H]1CCCO1 f06e50473ac665d6d3078287a9acacab [0,0,0,1,0,0|3,0,0]=4 7013 B12R1.255 CC(=O)CCOC[C@H]1CCOC1 d144b11451d80398f6b796c8c12d89a1 [0,0,0,1,0,0|3,0,0]=4 7014 B12R1.255 CC(=O)CNCCC1CCCC1 41f413e7936da8afb65537e13627baf6 [0,0,0,1,0,0|2,0,0]=3 7015 B12R1.255 CC(=O)CNCCC1CCCO1 f2d23f00181047e0ed7dd2ac6dbfa60e [0,0,0,1,0,0|3,0,0]=4 7016 B12R1.255 CC(=O)CNCCC1CCOC1 067e51c2493506df45c465b508bcce5a [0,0,0,1,0,0|3,0,0]=4 7017 B12R1.255 CC(=O)CNCCN1CCCC1 52f675739bf789c177df3ab3b8d601f1 [0,0,0,1,0,0|3,0,0]=4 7018 B12R1.255 CC(=O)COCCC1CCCC1 9677f0b253eb2cdc842e57b249d4920b [0,0,0,1,0,0|2,0,0]=3 7019 B12R1.255 CC(=O)COCCC1CCCO1 f90e6d098ff581071258446d82e1fae7 [0,0,0,1,0,0|3,0,0]=4 7020 B12R1.255 CC(=O)COCCC1CCOC1 fc91b9394e0dbcf94198f5d5f77f857b [0,0,0,1,0,0|3,0,0]=4 7021 B12R1.255 CC(=O)COCCN1CCCC1 8b9af8d45cb7e2e125890fd4eb31757c [0,0,0,1,0,0|3,0,0]=4 7022 B12R1.255 CC(=O)NCCCC1CCCC1 e0d623c95c90549904a1509ea40a9461 [0,0,0,1,0,0|2,0,0]=3 7023 B12R1.255 CC(=O)NCCCC1CCOC1 790620fc10e0f8219f2d8bd9c7f53126 [0,0,0,1,0,0|3,0,0]=4 7024 B12R1.255 CC(=O)NCCCN1CCCC1 c572760d99f018fdb473bc0657447594 [0,0,0,1,0,0|3,0,0]=4 7025 B12R1.255 CC(=O)NCCNC1CCCC1 cd600322abbd5c6a44e31b4f8815796d [0,0,0,1,0,0|3,0,0]=4 7026 B12R1.255 CC(=O)NCCOC1CCCC1 97f03122c5f495c642531a4ccedeb576 [0,0,0,1,0,0|3,0,0]=4 7027 B12R1.255 CC(=O)NCCSC1CCCC1 3af52554fbf7fd385a9b6d06e3365f08 [0,0,0,1,0,0|3,0,0]=4 7028 B12R1.255 CC(=O)NCOCC1CCCC1 549689cfec1621d8e1a38ed2d685e1b0 [0,0,0,1,0,0|3,0,0]=4 7029 B12R1.255 CC(=O)OCCNC1CCCC1 5951a8cd531885e7cb63976ac18e09de [0,0,0,1,0,0|3,0,0]=4 7030 B12R1.255 CC(=O)OCCOC1CCCC1 d20b03595ddbaf6544f0852c828eaffb [0,0,0,1,0,0|3,0,0]=4 7031 B12R1.255 CC(=O)OCNCC1CCCC1 0268d65e13a9046d589a00900f749229 [0,0,0,1,0,0|3,0,0]=4 7032 B12R1.255 CC(=O)OCOCC1CCCC1 9a928a8762b7f97b62299edbeab8a4bc [0,0,0,1,0,0|3,0,0]=4 7033 B12R1.255 CC(=O)SCCNC1CCCC1 e931df4401e78c91578ac0773dfe8e4f [0,0,0,1,0,0|3,0,0]=4 7034 B12R1.255 CC(=O)SCCOC1CCCC1 9d817037d630193f8b026c6bc429e3f9 [0,0,0,1,0,0|3,0,0]=4 7035 B12R1.255 CC(O)CCCNC1CCCC1 dc7a4cbd146af81d6e30d92d70ad2158 [0,0,0,1,0,0|2,0,1]=4 7036 B12R1.255 CC(O)CCNCC1CCCC1 6ecf2015920bdcaf7e0c320e0162e3ba [0,0,0,1,0,0|2,0,1]=4 7037 B12R1.255 CC(O)CNCCC1CCCC1 150d6abf626837471dea729715c2fe10 [0,0,0,1,0,0|2,0,1]=4 7038 B12R1.255 CS(=O)CCCNC1CCCC1 2ea69945fd665094e0b89856e069f737 [0,0,0,1,0,0|3,0,0]=4 7039 B12R1.255 CS(=O)CCNCC1CCCC1 7cd925dfa66377d94d903f161dcc6e7d [0,0,0,1,0,0|3,0,0]=4 7040 B12R1.255 CS(=O)CCOCC1CCCC1 27fde2bd95d6fe14c93820c85a12eb2e [0,0,0,1,0,0|3,0,0]=4 7041 B12R1.255 C[C@@H](O)CCNCC1CCCC1 f5803b8e21f20a4fa493a507103eaba0 [0,0,0,1,0,0|2,0,1]=4 7042 B12R1.255 C[C@@H](O)CNCCC1CCCC1 f9213f6d8d7769970256eb2444e0cf9b [0,0,0,1,0,0|2,0,1]=4 7043 B12R1.255 C[C@H](O)CCNCC1CCCC1 76e599538f93e05363eaa9c57e8fa850 [0,0,0,1,0,0|2,0,1]=4 7044 B12R1.255 C[C@H](O)CNCCC1CCCC1 ccbe607e7e39e99d9d2644e927b75900 [0,0,0,1,0,0|2,0,1]=4 7045 B12R1.255 NC(=O)CCCCN1CCSC1 2765d4862d376a6af3b615e31dcdf18d [0,0,0,1,0,0|3,0,0]=4 7046 B12R1.255 NC(=O)CCCNC1CCCC1 6a9fd9da7b4730d6fec2d728d36371a6 [0,0,0,1,0,0|2,0,0]=3 7047 B12R1.255 NC(=O)CCCNC1CCOC1 4a09ebf6ec43d7f9ca805a9181d15877 [0,0,0,1,0,0|3,0,0]=4 7048 B12R1.255 NC(=O)CCCNC1CCSC1 29dac10a6a233486bd42d35a53959781 [0,0,0,1,0,0|3,0,0]=4 7049 B12R1.255 NC(=O)CCCN[C@@H]1CCOC1 546abbda11d4fb07d9f8d635801593da [0,0,0,1,0,0|3,0,0]=4 7050 B12R1.255 NC(=O)CCCN[C@H]1CCOC1 ce2103183b42d2cead1b4990ba89c503 [0,0,0,1,0,0|3,0,0]=4 7051 B12R1.255 NC(=O)CCCOC1CCCC1 6fa54c507faa2f2f25113c66a9350225 [0,0,0,1,0,0|2,0,0]=3 7052 B12R1.255 NC(=O)CCCOC1CCCO1 2e8f4ac441c0264f580a4694d99f971a [0,0,0,1,0,0|3,0,0]=4 7053 B12R1.255 NC(=O)CCCOC1CCOC1 4eee91ee19915c24b50b496fa7d4144e [0,0,0,1,0,0|3,0,0]=4 7054 B12R1.255 NC(=O)CCCOC1CCSC1 914bc7421aec18a2d2744b9d9d70ea39 [0,0,0,1,0,0|3,0,0]=4 7055 B12R1.255 NC(=O)CCCO[C@@H]1CCOC1 8326955903a62a7ee861623e21abaa55 [0,0,0,1,0,0|3,0,0]=4 7056 B12R1.255 NC(=O)CCCO[C@@H]1CCSC1 fabd82c707b191c88e4b6adbbfb4b36b [0,0,0,1,0,0|3,0,0]=4 7057 B12R1.255 NC(=O)CCCO[C@H]1CCOC1 756a211cef9c27176710986dc774472a [0,0,0,1,0,0|3,0,0]=4 7058 B12R1.255 NC(=O)CCCO[C@H]1CCSC1 c14aa3736cda77188c51054867030299 [0,0,0,1,0,0|3,0,0]=4 7059 B12R1.255 NC(=O)CCNCC1CCCC1 18aff9f849931b4ecda7ad6007b3c6ac [0,0,0,1,0,0|2,0,0]=3 7060 B12R1.255 NC(=O)CCNCC1CCCO1 2441d388a6d13a8dce2db06330565a6a [0,0,0,1,0,0|3,0,0]=4 7061 B12R1.255 NC(=O)CCNCC1CCOC1 203128e6820b5db4fa28a1cef1d90178 [0,0,0,1,0,0|3,0,0]=4 7062 B12R1.255 NC(=O)CCNC[C@@H]1CCCO1 66601f6508b8048f0a5773575039e61c [0,0,0,1,0,0|3,0,0]=4 7063 B12R1.255 NC(=O)CCNC[C@@H]1CCOC1 fc112e149637103a6ab5619cb57276ec [0,0,0,1,0,0|3,0,0]=4 7064 B12R1.255 NC(=O)CCNC[C@H]1CCCO1 ecaac1949b8619bad855f55177d34155 [0,0,0,1,0,0|3,0,0]=4 7065 B12R1.255 NC(=O)CCNC[C@H]1CCOC1 8cb71d95c3a09f7614716442fb1a218a [0,0,0,1,0,0|3,0,0]=4 7066 B12R1.255 NC(=O)CCOCC1CCCC1 167018dbab2b7997aaf8e1abb1649431 [0,0,0,1,0,0|2,0,0]=3 7067 B12R1.255 NC(=O)CCOCC1CCCO1 e533e27c5b04988e0cb378b988a7c2b9 [0,0,0,1,0,0|3,0,0]=4 7068 B12R1.255 NC(=O)CCOCC1CCCS1 3a53deb18ad022f419ffeddfbff726a8 [0,0,0,1,0,0|3,0,0]=4 7069 B12R1.255 NC(=O)CCOCC1CCOC1 62ddba5feb671b175333a1bb68ac1d78 [0,0,0,1,0,0|3,0,0]=4 7070 B12R1.255 NC(=O)CCOCN1CCCC1 e590eab8d676b99776d24318e5d4976c [0,0,0,1,0,0|3,0,0]=4 7071 B12R1.255 NC(=O)CCOC[C@@H]1CCCO1 4d63dda3b9cdaefb18e35b4ebeca9e1b [0,0,0,1,0,0|3,0,0]=4 7072 B12R1.255 NC(=O)CCOC[C@@H]1CCOC1 b89639d93ac87348c31b4aadab0f0251 [0,0,0,1,0,0|3,0,0]=4 7073 B12R1.255 NC(=O)CCOC[C@H]1CCCO1 7f9c6508dd43f156650987a6ed83310a [0,0,0,1,0,0|3,0,0]=4 7074 B12R1.255 NC(=O)CCOC[C@H]1CCOC1 37a745399c516b41108e31947ccf32bd [0,0,0,1,0,0|3,0,0]=4 7075 B12R1.255 NC(=O)CNCCC1CCCC1 14277e310ae8a52dc71571c134e05e64 [0,0,0,1,0,0|2,0,0]=3 7076 B12R1.255 NC(=O)CNCCC1CCCO1 fdc7db075fb2518e6379f19a888d642e [0,0,0,1,0,0|3,0,0]=4 7077 B12R1.255 NC(=O)CNCCC1CCOC1 6c4df4190b6740a6257724117fa00261 [0,0,0,1,0,0|3,0,0]=4 7078 B12R1.255 NC(=O)CNCCN1CCCC1 46bc8a1f901a46283876dac05b01f2a3 [0,0,0,1,0,0|3,0,0]=4 7079 B12R1.255 NC(=O)COCCC1CCCC1 7783af30972de3ad3e34292ae4d5fc44 [0,0,0,1,0,0|2,0,0]=3 7080 B12R1.255 NC(=O)COCCC1CCCO1 5e44cf583162c69df25799fb3db02da2 [0,0,0,1,0,0|3,0,0]=4 7081 B12R1.255 NC(=O)COCCC1CCOC1 f036c3769ce72aa86a36013b30b60d5d [0,0,0,1,0,0|3,0,0]=4 7082 B12R1.255 NC(=O)COCCN1CCCC1 63a45dd672d4a5bd30c4473fcecb3b3a [0,0,0,1,0,0|3,0,0]=4 7083 B12R1.255 NC(=O)NCCNC1CCCC1 e20ab84d74ce316a41fefb7b44fc8d55 [0,0,0,1,0,0|3,0,0]=4 7084 B12R1.255 NC(=O)NCCOC1CCCC1 ac42caaab8d0da851ccae2193f04624f [0,0,0,1,0,0|3,0,0]=4 7085 B12R1.255 NC(=O)NCOCC1CCCC1 3b891fbc8eaa917ea30280b693c90e0e [0,0,0,1,0,0|3,0,0]=4 7086 B12R1.255 NC(=O)SCNCC1CCCC1 7f61a6d2ddbf733623ce8bb961b84c7d [0,0,0,1,0,0|3,0,0]=4 7087 B12R1.255 NC(=O)SCOCC1CCCC1 2a9a9d8c63505bc6ce3e4e676542def3 [0,0,0,1,0,0|3,0,0]=4 7088 B12R1.255 NC(=S)CCNCC1CCCC1 89d8297de5bae4a667abf4d9b682d8b6 [0,0,0,1,0,0|2,1,0]=4 7089 B12R1.255 NC(=S)COCCC1CCCC1 24c7ffb9b7d72dfbfb4c39d49ae4c80b [0,0,0,1,0,0|2,1,0]=4 7090 B12R1.255 O=C(O)/C=C/CNC1CCCC1 ddf1ea7ec9e2dae264c2f44102cf7b0a [0,0,0,1,0,0|1,0,2]=4 7091 B12R1.255 O=C(O)/C=C/COC1CCCC1 858501ea1a093ab630e64744a2497bad [0,0,0,1,0,0|1,0,2]=4 7092 B12R1.255 O=C(O)C#CCNC1CCCC1 2e9251275aea1ae1c030165e7fd8d4a4 [0,0,0,1,0,0|1,0,2]=4 7093 B12R1.255 O=C(O)C#CCOC1CCCC1 ce4c568c465e71ababfb2208cca4ca16 [0,0,0,1,0,0|1,0,2]=4 7094 B12R1.255 O=C(O)C=CCNC1CCCC1 431d56005c89c80af7609bcc2a8849cc [0,0,0,1,0,0|1,0,2]=4 7095 B12R1.255 O=C(O)C=CCOC1CCCC1 b06f89b4c894f39829d231d182ac78af [0,0,0,1,0,0|1,0,2]=4 7096 B12R1.255 O=C(O)CCCCN1CC=CC1 1da21527310345b16ee802cbd7e9aa57 [0,0,0,1,0,0|1,0,2]=4 7097 B12R1.255 O=C(O)CCCCN1CCSC1 ea92e3351883f9e39c16e8286a442c5c [0,0,0,1,0,0|2,0,0]=3 7098 B12R1.255 O=C(O)CCCNC1CC=CC1 2c2681c2ed7dfa192763459342e1ad2d [0,0,0,1,0,0|1,0,2]=4 7099 B12R1.255 O=C(O)CCCNC1CCOC1 e205be8551efc304e864a20040f3a6c1 [0,0,0,1,0,0|2,0,0]=3 7100 B12R1.255 O=C(O)CCCNC1CCSC1 2c7bc606a23bb4f66f969226eb4c0449 [0,0,0,1,0,0|2,0,0]=3 7101 B12R1.255 O=C(O)CCCN[C@@H]1CCOC1 8bb11e6f4aa656f5949b88a7f65c5532 [0,0,0,1,0,0|2,0,0]=3 7102 B12R1.255 O=C(O)CCCN[C@H]1CCOC1 4d78b864d02ba6ef9ad5d8cd8928b7b1 [0,0,0,1,0,0|2,0,0]=3 7103 B12R1.255 O=C(O)CCCOC1C=CCC1 a0239b0bdcdd284955ade9ed6e726010 [0,0,0,1,0,0|1,0,2]=4 7104 B12R1.255 O=C(O)CCCOC1CC=CC1 02d6f264fcbaa97d483364405bca64ac [0,0,0,1,0,0|1,0,2]=4 7105 B12R1.255 O=C(O)CCCOC1CCCC1 99bc43476fc63e5fbe03c71111b0689d [0,0,0,1,0,0|1,0,0]=2 7106 B12R1.255 O=C(O)CCNCC1CC=CC1 b43143040abade248de517e80b4a3046 [0,0,0,1,0,0|1,0,2]=4 7107 B12R1.255 O=C(O)CCNCC1CCCC1 4d18a330c62979fee5f0178a497f80d0 [0,0,0,1,0,0|1,0,0]=2 7108 B12R1.255 O=C(O)CCNCC1CCCO1 b9998d9abf88faeea7e3ae6ecc914431 [0,0,0,1,0,0|2,0,0]=3 7109 B12R1.255 O=C(O)CCNCC1CCOC1 5e3acc0b71c7029984d74168b738f0cd [0,0,0,1,0,0|2,0,0]=3 7110 B12R1.255 O=C(O)CCNC[C@@H]1CCCO1 b6ce0827552172f342e76dcffc2d9723 [0,0,0,1,0,0|2,0,0]=3 7111 B12R1.255 O=C(O)CCNC[C@@H]1CCOC1 a43caec2925af2b34c1ff2d6244e819a [0,0,0,1,0,0|2,0,0]=3 7112 B12R1.255 O=C(O)CCNC[C@H]1CCCO1 928b2bbbf87249324933b741c4e04cf6 [0,0,0,1,0,0|2,0,0]=3 7113 B12R1.255 O=C(O)CCNC[C@H]1CCOC1 30610ffd1852aca76f98ceb99ca724f0 [0,0,0,1,0,0|2,0,0]=3 7114 B12R1.255 O=C(O)CCOCC1C=CCC1 e33c02a7a9c2496b33c99d557b8ba57b [0,0,0,1,0,0|1,0,2]=4 7115 B12R1.255 O=C(O)CCOCC1CC=CC1 0d79a3a07312c7a49807346bc63fc495 [0,0,0,1,0,0|1,0,2]=4 7116 B12R1.255 O=C(O)CCOCC1CCCC1 988b046a92322d1038b6ce57d1132960 [0,0,0,1,0,0|1,0,0]=2 7117 B12R1.255 O=C(O)CCOCC1CCCO1 73195bb71364626a44f8f4661dea6a49 [0,0,0,1,0,0|2,0,0]=3 7118 B12R1.255 O=C(O)CCOCC1CCCS1 0566f33abb66e7b0f97e4ed2e3ead893 [0,0,0,1,0,0|2,0,0]=3 7119 B12R1.255 O=C(O)CCOCC1CCOC1 12f08f4fd4b9d2354155da6decaf1f1d [0,0,0,1,0,0|2,0,0]=3 7120 B12R1.255 O=C(O)CCOCN1CCCC1 0a634eecd03eff4ca4dde72e52972339 [0,0,0,1,0,0|2,0,0]=3 7121 B12R1.255 O=C(O)CCOC[C@@H]1CCCO1 aa15fad0dbb6551c3cccee9b93ae1de6 [0,0,0,1,0,0|2,0,0]=3 7122 B12R1.255 O=C(O)CCOC[C@@H]1CCOC1 72491aac7b6df0b3d0613a75655582f3 [0,0,0,1,0,0|2,0,0]=3 7123 B12R1.255 O=C(O)CCOC[C@H]1CCCO1 c00099161393e23cdf42127359741950 [0,0,0,1,0,0|2,0,0]=3 7124 B12R1.255 O=C(O)CCOC[C@H]1CCOC1 93a47f45c943413ffff698c261bb4a1c [0,0,0,1,0,0|2,0,0]=3 7125 B12R1.255 O=C(O)CNCCC1CCCC1 324f85356df7a32eacba93e5a4f8ba31 [0,0,0,1,0,0|1,0,0]=2 7126 B12R1.255 O=C(O)CNCCC1CCCO1 6e1dc9781a17c4bb80e5d50336f8466a [0,0,0,1,0,0|2,0,0]=3 7127 B12R1.255 O=C(O)CNCCC1CCOC1 defc07405dc82d510d7aba78f0bf584a [0,0,0,1,0,0|2,0,0]=3 7128 B12R1.255 O=C(O)CNCCN1CCCC1 a01f3e8a4860d2a1870547639b651e17 [0,0,0,1,0,0|2,0,0]=3 7129 B12R1.255 O=C(O)COCC=C1CCCC1 a5817dde28f49e4776f7a7e220844fa3 [0,0,0,1,0,0|1,0,2]=4 7130 B12R1.255 O=C(O)COCCC1CCCC1 fab27bb93cf625b0c938c51342b434ce [0,0,0,1,0,0|1,0,0]=2 7131 B12R1.255 O=C(O)COCCC1CCCO1 babcd2d2d2bba0e6fc9570d258c2c013 [0,0,0,1,0,0|2,0,0]=3 7132 B12R1.255 O=C(O)COCCC1CCOC1 4c21f776e6aace06e1bd8f4a11186da7 [0,0,0,1,0,0|2,0,0]=3 7133 B12R1.255 O=C(O)COCCN1CCCC1 8030904d5b160c673ef0385ae663abee [0,0,0,1,0,0|2,0,0]=3 7134 B12R1.255 O=C(O)COCCN1CCOC1 651d49b99269a11ae6dff459c9746782 [0,0,0,1,0,0|3,0,0]=4 7135 B12R1.255 O=C(O)COCCN1CCSC1 77807a4ce5979f1d42a920abddd8f6e9 [0,0,0,1,0,0|3,0,0]=4 7136 B12R1.255 O=S(O)CCNCC1CCCC1 0cdf243e5270c31dbda143ba2b34c34a [0,0,0,1,0,0|2,0,0]=3 7137 B12R1.255 O=S(O)CCNCC1CCCO1 b3bb9104554d6397493957012e49782b [0,0,0,1,0,0|3,0,0]=4 7138 B12R1.255 O=S(O)CCNCC1CCOC1 58a86099247bd57623dd685faffa5e40 [0,0,0,1,0,0|3,0,0]=4 7139 B12R1.255 O=S(O)COCCC1CCCC1 b479dda34b427599079230d970417977 [0,0,0,1,0,0|2,0,0]=3 7140 B12R1.255 O=S(O)COCCC1CCCO1 2ad7d3773c9337c92ebd8a3f7ed6eb84 [0,0,0,1,0,0|3,0,0]=4 7141 B12R1.255 O=S(O)COCCC1CCOC1 9b8b83fe2350e2e2427e9c4ce73a5334 [0,0,0,1,0,0|3,0,0]=4 7142 B12R1.255 O=S(O)COCCN1CCCC1 7bfd85c5447d40c0079628b7409f283a [0,0,0,1,0,0|3,0,0]=4 7143 B12R1.255 O=[N+]([O-])CCCNC1CCCC1 255bb441b1fcc15456e3cb203510dd32 [0,0,0,1,0,0|2,0,1]=4 7144 B12R1.255 O=[N+]([O-])CCCOC1CCCC1 c5a4ba6e43c66d3f1c14f55bdcf4ce72 [0,0,0,1,0,0|2,0,1]=4 7145 B12R1.255 O=[N+]([O-])CCOCC1CCCC1 17b757654b1991eeb819b7a06b968107 [0,0,0,1,0,0|2,0,1]=4 7146 B12R1.255 O=[N+]([O-])CNCCC1CCCC1 a0c2cb30d078786ee58493ac4cef77e0 [0,0,0,1,0,0|2,0,1]=4 7147 B12R1.255 O=[N+]([O-])COCCC1CCCC1 ea615a7d32205c4f09f051f19891ec81 [0,0,0,1,0,0|2,0,1]=4 7148 B12R1.257 C=C(Br)CCOCCC1CCC1 40f89d5eed8d8eca813f4c14732b309a [0,0,0,1,0,0|3,0,0]=4 7149 B12R1.257 C=C(Br)COCCCC1CCC1 3aa95e87effc835ebebd8214c488b578 [0,0,0,1,0,0|3,0,0]=4 7150 B12R1.257 C=C(C)CCCNCC1CCC1 87532844ea2ff72f2549ccbec2dae5af [0,0,0,1,0,0|3,0,0]=4 7151 B12R1.257 C=C(C)CCCOCC1CCC1 10e40385bb4eef82d04e7d9e8476f9cd [0,0,0,1,0,0|3,0,0]=4 7152 B12R1.257 C=C(C)CCNCCC1CCC1 d114552d04688a85696520114d26076d [0,0,0,1,0,0|3,0,0]=4 7153 B12R1.257 C=C(C)CCOCCC1CCC1 70c19607bfc618d87bdefba0e7cde0b3 [0,0,0,1,0,0|3,0,0]=4 7154 B12R1.257 C=C(C)COCCCC1CCC1 15d5e4298820d7c118b1d1f8cb6b3b11 [0,0,0,1,0,0|3,0,0]=4 7155 B12R1.257 C=C(Cl)COCCCC1CCC1 1c972bfa9584cbd181af6fac41e51300 [0,0,0,1,0,0|3,0,0]=4 7156 B12R1.257 C=C(F)COCCCC1CCC1 da52a26b40b69294cfbfce4074893c48 [0,0,0,1,0,0|3,0,0]=4 7157 B12R1.257 CC(=O)CCCCCN1CCC1 efe7b58e7215f9ad1bd4fb4e5e4853eb [0,0,0,1,0,0|2,0,0]=3 7158 B12R1.257 CC(=O)CCCCNC1CCC1 b4db55fd0a97b73708647e38a6cea15f [0,0,0,1,0,0|2,0,0]=3 7159 B12R1.257 CC(=O)CCCCNC1COC1 d3625430f995d181d656a77fb00e93b1 [0,0,0,1,0,0|3,0,0]=4 7160 B12R1.257 CC(=O)CCCCOC1CCC1 c935acdd1b4bbc157dc7c158c3291571 [0,0,0,1,0,0|2,0,0]=3 7161 B12R1.257 CC(=O)CCCCOC1COC1 78ef70272d5434fac7345e5cc5442ad1 [0,0,0,1,0,0|3,0,0]=4 7162 B12R1.257 CC(=O)CCCCOC1CSC1 a408721e99c71316a794e76bb0c6f914 [0,0,0,1,0,0|3,0,0]=4 7163 B12R1.257 CC(=O)CCCNCC1CCC1 d958b86e9e0093e24a8412a5ddcf5640 [0,0,0,1,0,0|2,0,0]=3 7164 B12R1.257 CC(=O)CCCNCC1CCO1 3372894bffe8092f9e055bac1fe5d430 [0,0,0,1,0,0|3,0,0]=4 7165 B12R1.257 CC(=O)CCCNCC1COC1 1670037a14e599369615c77325e5630e [0,0,0,1,0,0|3,0,0]=4 7166 B12R1.257 CC(=O)CCCNC[C@@H]1CCO1 b30960332635fab56c07770ecd1e826a [0,0,0,1,0,0|3,0,0]=4 7167 B12R1.257 CC(=O)CCCNC[C@H]1CCO1 8a88c68e7d8a5d6dc3ed203a8ee1c176 [0,0,0,1,0,0|3,0,0]=4 7168 B12R1.257 CC(=O)CCCOCC1CCC1 742d444b0d64c95aee91fdef9ffa00a8 [0,0,0,1,0,0|2,0,0]=3 7169 B12R1.257 CC(=O)CCCOCC1CCO1 21433e795fbc407ffe30ef272eb2704c [0,0,0,1,0,0|3,0,0]=4 7170 B12R1.257 CC(=O)CCCOCC1COC1 ada0ca17ad40a53ffad77f338ec77432 [0,0,0,1,0,0|3,0,0]=4 7171 B12R1.257 CC(=O)CCCOCC1CSC1 6ae995b015d64a6ab8b138518ccc9b81 [0,0,0,1,0,0|3,0,0]=4 7172 B12R1.257 CC(=O)CCCOC[C@@H]1CCO1 7ebdde8ac248b1edd41f2fc8d3448f18 [0,0,0,1,0,0|3,0,0]=4 7173 B12R1.257 CC(=O)CCCOC[C@H]1CCO1 40e8a9f66937fe9ef4997917f36faf48 [0,0,0,1,0,0|3,0,0]=4 7174 B12R1.257 CC(=O)CCNCCC1CCC1 6611f750b4db5a236a4c3b09a686d4ee [0,0,0,1,0,0|2,0,0]=3 7175 B12R1.257 CC(=O)CCNCCC1CCO1 a25f1c34c47f5ecd3c4b4d399198f0ba [0,0,0,1,0,0|3,0,0]=4 7176 B12R1.257 CC(=O)CCNCCC1COC1 7865f117d1e67b305914f7ff9dd77543 [0,0,0,1,0,0|3,0,0]=4 7177 B12R1.257 CC(=O)CCNCCN1CCC1 573baebe9ed289d2025909dbcd219ce7 [0,0,0,1,0,0|3,0,0]=4 7178 B12R1.257 CC(=O)CCNCC[C@@H]1CCO1 7846e203e50b4d1ecce5a289bb19ab1f [0,0,0,1,0,0|3,0,0]=4 7179 B12R1.257 CC(=O)CCOCCC1CCC1 7fd4128189263f6ed6bd49dea1c016ec [0,0,0,1,0,0|2,0,0]=3 7180 B12R1.257 CC(=O)CCOCCC1CCO1 48beb0e528cfaed073981c280aa11c84 [0,0,0,1,0,0|3,0,0]=4 7181 B12R1.257 CC(=O)CCOCCC1COC1 59a1ab2984fa8f885e6caea38c2399ee [0,0,0,1,0,0|3,0,0]=4 7182 B12R1.257 CC(=O)CCOCCN1CCC1 6e6ecd040d0a37e051b08cea900cbd01 [0,0,0,1,0,0|3,0,0]=4 7183 B12R1.257 CC(=O)CCOCC[C@@H]1CCO1 ae7afea3c49afd0b1dfcfdbdd9288d48 [0,0,0,1,0,0|3,0,0]=4 7184 B12R1.257 CC(=O)CCOCC[C@H]1CCO1 2e485801dacea13e69e32d2ca9bdbdec [0,0,0,1,0,0|3,0,0]=4 7185 B12R1.257 CC(=O)CNCCOC1CCC1 443681ef695e0ea7739d9831f3c8b3a5 [0,0,0,1,0,0|3,0,0]=4 7186 B12R1.257 CC(=O)COCCOC1CCC1 101eed5343fa33253ea63f4930e8c493 [0,0,0,1,0,0|3,0,0]=4 7187 B12R1.257 CC(=O)NCCCNC1CCC1 0b413f98a016c651df049f5f1a204679 [0,0,0,1,0,0|3,0,0]=4 7188 B12R1.257 CC(=O)NCCCOC1CCC1 da38755d99323d7f24214854db63be48 [0,0,0,1,0,0|3,0,0]=4 7189 B12R1.257 CC(=O)NCCNCC1CCC1 e8ee8fd5d93d0cede2197c5c07988718 [0,0,0,1,0,0|3,0,0]=4 7190 B12R1.257 CC(=O)NCCOCC1CCC1 9c1e39a36fc64f0413da414781da6c34 [0,0,0,1,0,0|3,0,0]=4 7191 B12R1.257 CC(=O)NCOCCC1CCC1 cf1dbb986542f978ec0e21b71cd5ee27 [0,0,0,1,0,0|3,0,0]=4 7192 B12R1.257 CC(=O)OCCCCN1CCC1 ca3529c2e6df3a567a7a9bc29b73e420 [0,0,0,1,0,0|3,0,0]=4 7193 B12R1.257 CC(=O)OCCCNC1CCC1 5e038a55564a6b58051d32dc9671367b [0,0,0,1,0,0|3,0,0]=4 7194 B12R1.257 CC(=O)OCCCOC1CCC1 a6787fb0fd69440782688ec56efa8169 [0,0,0,1,0,0|3,0,0]=4 7195 B12R1.257 CC(=O)OCCNCC1CCC1 9dd3737a68892b92e2d5700411a5b985 [0,0,0,1,0,0|3,0,0]=4 7196 B12R1.257 CC(=O)OCCOCC1CCC1 8cee9bf9df244beb3b48ea3c8581108b [0,0,0,1,0,0|3,0,0]=4 7197 B12R1.257 CC(=O)OCNCCC1CCC1 9945ea48a4ed8f8db69308cde90f655a [0,0,0,1,0,0|3,0,0]=4 7198 B12R1.257 CC(=O)OCOCCC1CCC1 ec589872701e61b2eb74b069b2183c4d [0,0,0,1,0,0|3,0,0]=4 7199 B12R1.257 CC(=O)SCCCCN1CCC1 1b4db669605eecac5bcb257932cf56b5 [0,0,0,1,0,0|3,0,0]=4 7200 B12R1.257 CC(=O)SCCCNC1CCC1 36540518c560bfdbf25ce3f95807c62a [0,0,0,1,0,0|3,0,0]=4 7201 B12R1.257 CC(=O)SCCCOC1CCC1 b98247fe785cec76d20537f92eed14ba [0,0,0,1,0,0|3,0,0]=4 7202 B12R1.257 CC(=O)SCCNCC1CCC1 7f14b18b31ad78ac3ef90800709ea274 [0,0,0,1,0,0|3,0,0]=4 7203 B12R1.257 CC(=O)SCCOCC1CCC1 7871893b806fef032c98bc8302af0d7c [0,0,0,1,0,0|3,0,0]=4 7204 B12R1.257 CC(O)CCCCNC1CCC1 09a3a6695ea3926122d9db9bebe6f05b [0,0,0,1,0,0|2,0,1]=4 7205 B12R1.257 CC(O)CCCNCC1CCC1 c147b05bb5f91696575b37310e592c9b [0,0,0,1,0,0|2,0,1]=4 7206 B12R1.257 CC(O)CCNCCC1CCC1 71dacf7b917d1af74b019a49ef8645f6 [0,0,0,1,0,0|2,0,1]=4 7207 B12R1.257 CS(=O)CCCNCC1CCC1 2b559ff578c208fcf045cee55429621c [0,0,0,1,0,0|3,0,0]=4 7208 B12R1.257 CS(=O)CCNCCC1CCC1 d7fc350a32754abf27f32ccfbcb4494d [0,0,0,1,0,0|3,0,0]=4 7209 B12R1.257 CS(=O)CCOCCC1CCC1 da9c158383d86674bef51c8e823ca61c [0,0,0,1,0,0|3,0,0]=4 7210 B12R1.257 C[C@@H](O)CCCCNC1CCC1 62ea18892c3a89b5090be0a2e3c5ea91 [0,0,0,1,0,0|2,0,1]=4 7211 B12R1.257 C[C@@H](O)CCNCCC1CCC1 f4bcff188f4f38f2964be8ce6a13d35a [0,0,0,1,0,0|2,0,1]=4 7212 B12R1.257 C[C@H](O)CCNCCC1CCC1 0d2cb89910c40c173b588181e3847c97 [0,0,0,1,0,0|2,0,1]=4 7213 B12R1.257 NC(=O)CCCCCN1CCC1 6df3232b95c843b23ec35ad9f7572d1b [0,0,0,1,0,0|2,0,0]=3 7214 B12R1.257 NC(=O)CCCCNC1CCC1 034e0a66f4ea088e552001d90fba0169 [0,0,0,1,0,0|2,0,0]=3 7215 B12R1.257 NC(=O)CCCCNC1COC1 6c8328a158c0c9feafd5681eea99a499 [0,0,0,1,0,0|3,0,0]=4 7216 B12R1.257 NC(=O)CCCCOC1CCC1 5338e568c19c13d53c7c42dfa7f13438 [0,0,0,1,0,0|2,0,0]=3 7217 B12R1.257 NC(=O)CCCCOC1COC1 c0dc7de742bcba9680449e2cce8da940 [0,0,0,1,0,0|3,0,0]=4 7218 B12R1.257 NC(=O)CCCCOC1CSC1 2092f005ec0b99808ae2414ea9801f2b [0,0,0,1,0,0|3,0,0]=4 7219 B12R1.257 NC(=O)CCCNCC1CCC1 a0c7d3cbc66b5a9d7f2f9b5d2ca604fe [0,0,0,1,0,0|2,0,0]=3 7220 B12R1.257 NC(=O)CCCNCC1CCO1 9dda84d8de3e773be15ba98e4a49b6cb [0,0,0,1,0,0|3,0,0]=4 7221 B12R1.257 NC(=O)CCCNCC1COC1 4e8dc7d3f3d031a5baddf2d86f4a412a [0,0,0,1,0,0|3,0,0]=4 7222 B12R1.257 NC(=O)CCCNC[C@@H]1CCO1 896bc336a0987eb06eac6afa40df7c01 [0,0,0,1,0,0|3,0,0]=4 7223 B12R1.257 NC(=O)CCCNC[C@H]1CCO1 3fc4d7bbfdd4a6cda28aae822ad7e603 [0,0,0,1,0,0|3,0,0]=4 7224 B12R1.257 NC(=O)CCCOCC1CCC1 568685786938ae5e7481bdb1d81f4f07 [0,0,0,1,0,0|2,0,0]=3 7225 B12R1.257 NC(=O)CCCOCC1CCO1 8c282293ccf1a95da6be8bcd547bf398 [0,0,0,1,0,0|3,0,0]=4 7226 B12R1.257 NC(=O)CCCOCC1COC1 b0e7b4f96f4a916c0bd03a702e05c365 [0,0,0,1,0,0|3,0,0]=4 7227 B12R1.257 NC(=O)CCCOCC1CSC1 e048d5077422452fd07090ff0de2abf9 [0,0,0,1,0,0|3,0,0]=4 7228 B12R1.257 NC(=O)CCCOC[C@@H]1CCO1 dd3872199663b216359b0aa6f1c7a992 [0,0,0,1,0,0|3,0,0]=4 7229 B12R1.257 NC(=O)CCCOC[C@H]1CCO1 38c48a7d846c15ce693b1648208f2597 [0,0,0,1,0,0|3,0,0]=4 7230 B12R1.257 NC(=O)CCNCCC1CCC1 f09d0f235187cd84a045d8972d9c0dfc [0,0,0,1,0,0|2,0,0]=3 7231 B12R1.257 NC(=O)CCNCCC1CCO1 1c9eed9a6f1150792a2b692607f1f529 [0,0,0,1,0,0|3,0,0]=4 7232 B12R1.257 NC(=O)CCNCCC1COC1 ecd4c0ede37173b7b8d90b3c772d34c9 [0,0,0,1,0,0|3,0,0]=4 7233 B12R1.257 NC(=O)CCNCCN1CCC1 7c0341929f789f265b91f0624ece0381 [0,0,0,1,0,0|3,0,0]=4 7234 B12R1.257 NC(=O)CCNCC[C@@H]1CCO1 79cbbfa5afc1444abee79b36251aa2ce [0,0,0,1,0,0|3,0,0]=4 7235 B12R1.257 NC(=O)CCOCCC1CCC1 7919824bec43d80001bc9230c6ff6245 [0,0,0,1,0,0|2,0,0]=3 7236 B12R1.257 NC(=O)CCOCCC1CCO1 375dadcc79959f3da3b5ad949255a0de [0,0,0,1,0,0|3,0,0]=4 7237 B12R1.257 NC(=O)CCOCCC1COC1 5a4055b792d343421a6f623d7db1ee56 [0,0,0,1,0,0|3,0,0]=4 7238 B12R1.257 NC(=O)CCOCCN1CCC1 1df49bdf2b199deb108668b47275f330 [0,0,0,1,0,0|3,0,0]=4 7239 B12R1.257 NC(=O)CCOCC[C@@H]1CCO1 a4474a8edeaf07f8049f650eb23a0670 [0,0,0,1,0,0|3,0,0]=4 7240 B12R1.257 NC(=O)CCOCC[C@H]1CCO1 fd59fbaae295bff15f909c03f014091a [0,0,0,1,0,0|3,0,0]=4 7241 B12R1.257 NC(=O)CNCCCN1CCC1 444450b1f6dd515aa6d3870f240568ac [0,0,0,1,0,0|3,0,0]=4 7242 B12R1.257 NC(=O)CNCCOC1CCC1 2cbc01be8abcbc77970f71b6840f3ee2 [0,0,0,1,0,0|3,0,0]=4 7243 B12R1.257 NC(=O)COCCCC1CCC1 fe017b39dd706d557a1fa00701a54151 [0,0,0,1,0,0|2,0,0]=3 7244 B12R1.257 NC(=O)COCCCC1COC1 01afec0917b6556ab4e7535db240c83a [0,0,0,1,0,0|3,0,0]=4 7245 B12R1.257 NC(=O)COCCCN1CCC1 4aa025707d352e3fdd7bd952225deea7 [0,0,0,1,0,0|3,0,0]=4 7246 B12R1.257 NC(=O)COCCNC1CCC1 84b804865383cdd0d733f4339baa5749 [0,0,0,1,0,0|3,0,0]=4 7247 B12R1.257 NC(=O)COCCOC1CCC1 ea0dad296633e2266a992123024b4e9e [0,0,0,1,0,0|3,0,0]=4 7248 B12R1.257 NC(=O)CSCCOC1CCC1 ac3b62abc3b10a92e1623cb67b3f32a0 [0,0,0,1,0,0|3,0,0]=4 7249 B12R1.257 NC(=O)NCCNCC1CCC1 110d4aa5d34a5258775989ab31450303 [0,0,0,1,0,0|3,0,0]=4 7250 B12R1.257 NC(=O)NCCOCC1CCC1 3dfd0dc498a6741f8289b0ab5d336e06 [0,0,0,1,0,0|3,0,0]=4 7251 B12R1.257 NC(=O)NCOCCC1CCC1 5ea57876d45377064e4f639ff522de1d [0,0,0,1,0,0|3,0,0]=4 7252 B12R1.257 NC(=O)SCNCCC1CCC1 16fdd159f145eebede75b0505e0e73d2 [0,0,0,1,0,0|3,0,0]=4 7253 B12R1.257 NC(=O)SCOCCC1CCC1 ea447988d90676edd534144512ca6d08 [0,0,0,1,0,0|3,0,0]=4 7254 B12R1.257 NC(=S)CCNCCC1CCC1 b185254e88cb901e6a612aa77c5e95cc [0,0,0,1,0,0|2,1,0]=4 7255 B12R1.257 O=C(O)/C=C/CNCC1CCC1 176c3afef1421f4e15e38e607db4548c [0,0,0,1,0,0|1,0,2]=4 7256 B12R1.257 O=C(O)/C=C/COCC1CCC1 e8881dc83dc126f51f097e7bb75372bb [0,0,0,1,0,0|1,0,2]=4 7257 B12R1.257 O=C(O)C#CCCOC1CCC1 69eac482c165e98ed75dd0198cece279 [0,0,0,1,0,0|1,0,2]=4 7258 B12R1.257 O=C(O)C#CCNCC1CCC1 39a9ac3a0d769dbd49876e3fb5c5e905 [0,0,0,1,0,0|1,0,2]=4 7259 B12R1.257 O=C(O)C#CCOCC1CCC1 8047bba763cfb2f1b81c1f6fd7e30ee3 [0,0,0,1,0,0|1,0,2]=4 7260 B12R1.257 O=C(O)C=CCNCC1CCC1 344ef174c0b3a2c6b6622eef565f4db9 [0,0,0,1,0,0|1,0,2]=4 7261 B12R1.257 O=C(O)C=CCOCC1CCC1 de49d7e01fb9ffe5965e46d2e430e5f8 [0,0,0,1,0,0|1,0,2]=4 7262 B12R1.257 O=C(O)CCCCNC1CCC1 8c47e392b662667e9c316e378eb973b0 [0,0,0,1,0,0|1,0,0]=2 7263 B12R1.257 O=C(O)CCCCNC1COC1 b5f5f603db7fab49fba93bb5ee53ee98 [0,0,0,1,0,0|2,0,0]=3 7264 B12R1.257 O=C(O)CCCCOC1CCC1 1fdb76a3e3b199883a9ad69599b6cb2c [0,0,0,1,0,0|1,0,0]=2 7265 B12R1.257 O=C(O)CCCCOC1COC1 66da960280f9d59a7e77ba6c15427f3a [0,0,0,1,0,0|2,0,0]=3 7266 B12R1.257 O=C(O)CCCNCC1CCC1 97344480eadad049288902e57ea670ec [0,0,0,1,0,0|1,0,0]=2 7267 B12R1.257 O=C(O)CCCNCC1CCO1 58a01e151cf50a21fe3dc90e4f3882ed [0,0,0,1,0,0|2,0,0]=3 7268 B12R1.257 O=C(O)CCCNCC1COC1 cb14f37948f4ca5ddaba0ec8ffe510b8 [0,0,0,1,0,0|2,0,0]=3 7269 B12R1.257 O=C(O)CCCNC[C@@H]1CCO1 d0d2b368ac6bbbe016f0743c19cb809a [0,0,0,1,0,0|2,0,0]=3 7270 B12R1.257 O=C(O)CCCNC[C@H]1CCO1 1f3eb77ad0b1b0306874df43298bb86e [0,0,0,1,0,0|2,0,0]=3 7271 B12R1.257 O=C(O)CCNCCC1CCC1 89341b80152249ae63d8c6f8fb43bdbf [0,0,0,1,0,0|1,0,0]=2 7272 B12R1.257 O=C(O)CCNCCC1CCO1 663eb024630d4df0a24d6115151fb92c [0,0,0,1,0,0|2,0,0]=3 7273 B12R1.257 O=C(O)CCNCCC1COC1 0529ad39245ce4748b646e73aede6758 [0,0,0,1,0,0|2,0,0]=3 7274 B12R1.257 O=C(O)CCNCCN1CCC1 c0e95121fab6ebd72de85df9498a1f52 [0,0,0,1,0,0|2,0,0]=3 7275 B12R1.257 O=C(O)CCNCC[C@@H]1CCO1 3fa97e8155a66d3337085262290e3d1a [0,0,0,1,0,0|2,0,0]=3 7276 B12R1.257 O=C(O)CCOCCC1CCC1 f014e0910ae5fde508e2bc800d57a87f [0,0,0,1,0,0|1,0,0]=2 7277 B12R1.257 O=C(O)CCOCCC1CCO1 689cee4f910d412a3e940416dfd29884 [0,0,0,1,0,0|2,0,0]=3 7278 B12R1.257 O=C(O)CCOCCC1COC1 eeaef2ba6cd40be7a8994c775bd44eda [0,0,0,1,0,0|2,0,0]=3 7279 B12R1.257 O=C(O)CCOCCN1CCC1 bdddd9b712186b7bb22f5f0fe531675c [0,0,0,1,0,0|2,0,0]=3 7280 B12R1.257 O=C(O)CCOCC[C@@H]1CCO1 3c171f18659775f90c8dad05c55ac5d4 [0,0,0,1,0,0|2,0,0]=3 7281 B12R1.257 O=C(O)CCOCC[C@H]1CCO1 6ff32e6a6184cae868255182def4fa9d [0,0,0,1,0,0|2,0,0]=3 7282 B12R1.257 O=C(O)CNCCCN1CCC1 2e767e9a077080eda995afe90ff1c2b1 [0,0,0,1,0,0|2,0,0]=3 7283 B12R1.257 O=C(O)CNCCOC1CCC1 cf6ecdef14a98db009651c627e2b67c9 [0,0,0,1,0,0|2,0,0]=3 7284 B12R1.257 O=C(O)COCCCC1CCC1 ba000324a3df4f318fc6414303193d92 [0,0,0,1,0,0|1,0,0]=2 7285 B12R1.257 O=C(O)COCCCC1COC1 e021824a52e23c161ff1f86ede30c8f4 [0,0,0,1,0,0|2,0,0]=3 7286 B12R1.257 O=C(O)COCCCN1CCC1 6e0a03d354b7e3605a93471d9feed679 [0,0,0,1,0,0|2,0,0]=3 7287 B12R1.257 O=C(O)COCCNC1CCC1 be124f2ffdef88c5a75068f5ec1d6132 [0,0,0,1,0,0|2,0,0]=3 7288 B12R1.257 O=C(O)COCCNC1COC1 80cf556b89cd8033f52bdd9cf3bd6848 [0,0,0,1,0,0|3,0,0]=4 7289 B12R1.257 O=C(O)COCCOC1CCC1 619b97f3f97d739e502b24ec841d09cc [0,0,0,1,0,0|2,0,0]=3 7290 B12R1.257 O=C(O)COCCOC1COC1 4d819ba066dba1886e2c954783e17120 [0,0,0,1,0,0|3,0,0]=4 7291 B12R1.257 O=C(O)COCCOC1CSC1 5477a4ceff3d35f56418dcbbabb2cf7e [0,0,0,1,0,0|3,0,0]=4 7292 B12R1.257 O=S(O)CCNCCC1CCC1 4f3cdaa2feafd5213a8b093c23d40c67 [0,0,0,1,0,0|2,0,0]=3 7293 B12R1.257 O=S(O)CCNCCC1CCO1 4561db08597f90b056f1eb8ed4dfeed5 [0,0,0,1,0,0|3,0,0]=4 7294 B12R1.257 O=S(O)CCNCCC1COC1 1458a4918271d7bd59d70fb7fe205d2d [0,0,0,1,0,0|3,0,0]=4 7295 B12R1.257 O=S(O)COCCOC1CCC1 3c308d96852ddc324716e9d8034a357f [0,0,0,1,0,0|3,0,0]=4 7296 B12R1.257 O=[N+]([O-])CCCCOC1CCC1 f225d79df949d215dfe68b923ebdc23b [0,0,0,1,0,0|2,0,1]=4 7297 B12R1.257 O=[N+]([O-])CCCNCC1CCC1 4cf2a57bb4fe10ca6a1e0e9607c7c4db [0,0,0,1,0,0|2,0,1]=4 7298 B12R1.257 O=[N+]([O-])CCCOCC1CCC1 05313ae99f836c58af504043fdf8cc99 [0,0,0,1,0,0|2,0,1]=4 7299 B12R1.257 O=[N+]([O-])CCOCCC1CCC1 eb7d633a4624e79bab6d8a64940e6451 [0,0,0,1,0,0|2,0,1]=4 7300 B12R1.257 O=[N+]([O-])COCCCC1CCC1 0dd853bfad00439c42e8297051c2321e [0,0,0,1,0,0|2,0,1]=4 7301 B12R1.271 C=C1CC1COCCCCCC 869a2c97573a88780e2747c36be1cccc [0,0,0,1,0,0|3,0,0]=4 7302 B12R1.283 C#CCN1CCCCC1C(=O)O c92e9668973c53d9b126c17436d104dd [0,0,0,1,0,0|1,0,2]=4 7303 B12R1.283 C#CCN1CCCC[C@@H]1C(=O)O b8680b348333913b9c37ce8de89bbb11 [0,0,0,1,0,0|1,0,2]=4 7304 B12R1.283 C#CCN1CCCC[C@H]1C(=O)O d69217c5b2ac3410557c5160cc1be25e [0,0,0,1,0,0|1,0,2]=4 7305 B12R1.283 C=CCN1CCCCC1C(=O)O 0d9a86bb4e21d7ab05b365f94f1bc7f2 [0,0,0,1,0,0|1,0,2]=4 7306 B12R1.283 C=CCN1CCCC[C@@H]1C(=O)O 99f9c3a60f94bda70c9c9689437b6d20 [0,0,0,1,0,0|1,0,2]=4 7307 B12R1.283 C=CCN1CCCC[C@H]1C(=O)O 591e8a7a5ad84dd6e3938cd9e1ad2098 [0,0,0,1,0,0|1,0,2]=4 7308 B12R1.283 CC(=O)C1CCCCN1CCF 27359bb112a10893d18a1c753c8b4ad7 [0,0,0,1,0,0|3,0,0]=4 7309 B12R1.283 CC(=O)C1CCCCN1CCO 1457e8d8c0cc911c2895b6a7d705b285 [0,0,0,1,0,0|3,0,0]=4 7310 B12R1.283 CC(=O)C1CCCCN1CCS 7ea8b7630fca57791c154529348194a2 [0,0,0,1,0,0|3,0,0]=4 7311 B12R1.283 CC(=O)N1CCCCC1CCCl 8077ca57726c8f5b709a6b351cff7f9c [0,0,0,1,0,0|3,0,0]=4 7312 B12R1.283 CC(=O)N1CCCCC1CCO ac05b03fa133d27e0878ba9678543db1 [0,0,0,1,0,0|3,0,0]=4 7313 B12R1.283 CC(=O)N1CCCC[C@@H]1CCO f2fed46c0bf9292d3feb9017dd9d8541 [0,0,0,1,0,0|3,0,0]=4 7314 B12R1.283 CC(=O)N1CCCC[C@H]1CCO 2f965bdcaefff93c8a4cc658f936b0f7 [0,0,0,1,0,0|3,0,0]=4 7315 B12R1.283 CCCC1COCCN1C(=O)C 963d4cd05fefb1d786e819d6e767933c [0,0,0,1,0,0|3,0,0]=4 7316 B12R1.283 CCCN1CC=CC[C@H]1C(=O)O bcf4a0f40a19f8cf2f57fdd98763b928 [0,0,0,1,0,0|1,0,2]=4 7317 B12R1.283 CCCN1CCCCC1C(=O)C 7c2c223f521e0536b13116c4b90da35e [0,0,0,1,0,0|2,0,0]=3 7318 B12R1.283 CCCN1CCCCC1C(=O)N 3457df2c780bfb7b8342e76388805cfe [0,0,0,1,0,0|2,0,0]=3 7319 B12R1.283 CCCN1CCCCC1C(=O)O abc904457c95c595db72ccb051ad6a80 [0,0,0,1,0,0|1,0,0]=2 7320 B12R1.283 CCCN1CCCC[C@@H]1C(=O)N bd443430474922fb62e130964c1826f2 [0,0,0,1,0,0|2,0,0]=3 7321 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O e827085340113380b3effa328728f865 [0,0,0,1,0,0|1,0,0]=2 7322 B12R1.283 CCCN1CCCC[C@H]1C(=O)N 3b5372949ff2151134190a5e0cb11fdf [0,0,0,1,0,0|2,0,0]=3 7323 B12R1.283 CCCN1CCCC[C@H]1C(=O)O 048bd70b07e44b81e3a792298ad86f3d [0,0,0,1,0,0|1,0,0]=2 7324 B12R1.283 CCCN1CCCSC1C(=O)O 2ccc7a47473340ad3fa7cd6c6ae6260b [0,0,0,1,0,0|2,0,0]=3 7325 B12R1.283 CCCN1CCOCC1C(=O)N c2bf7adf98b8365ba0aa408fadee2471 [0,0,0,1,0,0|3,0,0]=4 7326 B12R1.283 CCCN1CCOCC1C(=O)O eb337666b9f7519faccd97557d177302 [0,0,0,1,0,0|2,0,0]=3 7327 B12R1.283 CCCN1CCOC[C@@H]1C(=O)N f6369c1f2d66d27f6a50e9f252f282dd [0,0,0,1,0,0|3,0,0]=4 7328 B12R1.283 CCCN1CCOC[C@@H]1C(=O)O 4031c6b7916924373a4090d4d3d12b6c [0,0,0,1,0,0|2,0,0]=3 7329 B12R1.283 CCCN1CCOC[C@H]1C(=O)N 1be2dac32ea75c4824d1b3773b4fc2f8 [0,0,0,1,0,0|3,0,0]=4 7330 B12R1.283 CCCN1CCOC[C@H]1C(=O)O 9424e5b1ef7a330f67914b45a1b951bd [0,0,0,1,0,0|2,0,0]=3 7331 B12R1.283 CCCN1CCSCC1C(=O)O 8f644b37d563d80f9f8a6cf212d09506 [0,0,0,1,0,0|2,0,0]=3 7332 B12R1.283 CCCN1CCSC[C@@H]1C(=O)O f340ea7dcbf73dc20a5f92020585bd50 [0,0,0,1,0,0|2,0,0]=3 7333 B12R1.283 CCCN1CCSC[C@H]1C(=O)O 9ff7d581759a59a3e786abd3196d6443 [0,0,0,1,0,0|2,0,0]=3 7334 B12R1.283 CCNC1CCCCC1C(=O)O 2801e5865e0e37e41e6303c6c8aa0aad [0,0,0,1,0,0|1,0,0]=2 7335 B12R1.283 CCN[C@@H]1CC=CC[C@@H]1C(=O)O c305612edb4671a197b9d807784eb2cf [0,0,0,1,0,0|1,0,2]=4 7336 B12R1.283 CCN[C@@H]1CCCC[C@@H]1C(=O)N c89f692fa387941f5513ac371e080e78 [0,0,0,1,0,0|2,0,0]=3 7337 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)N f3febf0a5506c9a5ef44bd871c2693f2 [0,0,0,1,0,0|2,0,0]=3 7338 B12R1.283 CCN[C@H]1CC=CC[C@@H]1C(=O)O f0fc7ba2baa6f7a312fd8bf3b5e57ec7 [0,0,0,1,0,0|1,0,2]=4 7339 B12R1.283 CCN[C@H]1CCCC[C@@H]1C(=O)N 69b5ebbaac3ae3dcfe90470b72f41594 [0,0,0,1,0,0|2,0,0]=3 7340 B12R1.283 CCN[C@H]1CCCC[C@@H]1C(=O)O 3e939cae097addbcc14cc6c3fba239b5 [0,0,0,1,0,0|1,0,0]=2 7341 B12R1.283 CCN[C@H]1CCCC[C@H]1C(=O)N da0f761a11f8e258432ad812dc0ebc70 [0,0,0,1,0,0|2,0,0]=3 7342 B12R1.283 CCN[C@H]1CCCC[C@H]1C(=O)O b70442dbb9aa3c442c7b613fcb81ed5a [0,0,0,1,0,0|1,0,0]=2 7343 B12R1.283 CCN[C@H]1COCC[C@H]1C(=O)O 03761a4b8c5db7946d99c54021afb58b [0,0,0,1,0,0|2,0,0]=3 7344 B12R1.283 CCOC1CCCCC1C(=O)O 8727008b5a3064458f9a59b0ef36913b [0,0,0,1,0,0|1,0,0]=2 7345 B12R1.283 CCOC1CCCCC1[N+](=O)[O-] 1180b285b041d04398777ea16bfc030f [0,0,0,1,0,0|2,0,1]=4 7346 B12R1.283 CCOC1CCOCC1C(=O)O 7e003267f71d65eb68e53f09d798376f [0,0,0,1,0,0|2,0,0]=3 7347 B12R1.283 COCC1CCCCN1C(=O)C 49b7e1f483bb6f6e28b5c2df6c0e5d8c [0,0,0,1,0,0|3,0,0]=4 7348 B12R1.283 COCN1CCCCC1C(=O)C e3c94c3fe67819ce77a1256b4b6237b0 [0,0,0,1,0,0|3,0,0]=4 7349 B12R1.283 COCN1CCCCC1C(=O)N 753e8259ca4ba7e2b9503d8740ea5a90 [0,0,0,1,0,0|3,0,0]=4 7350 B12R1.283 COCN1CCCCC1C(=O)O ec8a8ef9e6b98d51dbf75ec49c2a009c [0,0,0,1,0,0|2,0,0]=3 7351 B12R1.283 COCN1CCCC[C@@H]1C(=O)N e3090d04381afc058bfd7f8d75323fa3 [0,0,0,1,0,0|3,0,0]=4 7352 B12R1.283 COCN1CCCC[C@@H]1C(=O)O ba1ed48407b2c04367269682dc30eb41 [0,0,0,1,0,0|2,0,0]=3 7353 B12R1.283 COCN1CCCC[C@H]1C(=O)N 4a6aecfe5f8a5ae8d46649aff6616673 [0,0,0,1,0,0|3,0,0]=4 7354 B12R1.283 COCN1CCCC[C@H]1C(=O)O c9694d969e16aa8a1144219f5eb50c70 [0,0,0,1,0,0|2,0,0]=3 7355 B12R1.283 COCN1CCCSC1C(=O)O 2c5809260aee9bee2c11bae317f16b94 [0,0,0,1,0,0|3,0,0]=4 7356 B12R1.283 COCN1CCOCC1C(=O)O f6c57e2afae40ebbb271a0b32b4fb63d [0,0,0,1,0,0|3,0,0]=4 7357 B12R1.283 COCN1CCOC[C@@H]1C(=O)O 40661ad1d1718657777b1dee9c015577 [0,0,0,1,0,0|3,0,0]=4 7358 B12R1.283 COCN1CCOC[C@H]1C(=O)O 6163d26175b9115279110664165b56b2 [0,0,0,1,0,0|3,0,0]=4 7359 B12R1.283 COCN1CCSCC1C(=O)O e8f8d1502bd7432b4ab905c37696caa7 [0,0,0,1,0,0|3,0,0]=4 7360 B12R1.283 COCN1CCSC[C@@H]1C(=O)O 9acd4e6027ad24024974894ef59dd699 [0,0,0,1,0,0|3,0,0]=4 7361 B12R1.283 COCN1CCSC[C@H]1C(=O)O 89580833d939d32823ed7cdc56c54e54 [0,0,0,1,0,0|3,0,0]=4 7362 B12R1.283 CSCN1CCCCC1C(=O)C 38625311ce3e084ff746fc71f00794ac [0,0,0,1,0,0|3,0,0]=4 7363 B12R1.283 CSCN1CCCCC1C(=O)N a529cb017acedbc627a4cf75bed649ce [0,0,0,1,0,0|3,0,0]=4 7364 B12R1.283 CSCN1CCCCC1C(=O)O 3fae4367adfc4e3c2e915c89cdad4b7f [0,0,0,1,0,0|2,0,0]=3 7365 B12R1.283 CSCN1CCCC[C@@H]1C(=O)N de8a78917db2e40db54195c42f4fe4c8 [0,0,0,1,0,0|3,0,0]=4 7366 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O fe226aca91058676dec534ffdd7b56f8 [0,0,0,1,0,0|2,0,0]=3 7367 B12R1.283 CSCN1CCCC[C@H]1C(=O)N a7bebcbee8c1930a48e9ff35accc44a7 [0,0,0,1,0,0|3,0,0]=4 7368 B12R1.283 CSCN1CCCC[C@H]1C(=O)O 6bf778f53de9e1d22eea00a85d00f4ac [0,0,0,1,0,0|2,0,0]=3 7369 B12R1.283 CSCN1CCCSC1C(=O)O 78ded9821954eec6eae48266386e3312 [0,0,0,1,0,0|3,0,0]=4 7370 B12R1.283 CSCN1CCOCC1C(=O)O 3ba28e7b4545cfd24034ddf12d400777 [0,0,0,1,0,0|3,0,0]=4 7371 B12R1.283 CSCN1CCOC[C@@H]1C(=O)O 4c2090f384a20876e6e39ca1258d2d96 [0,0,0,1,0,0|3,0,0]=4 7372 B12R1.283 CSCN1CCOC[C@H]1C(=O)O 9bf8ed85815be7701594acc0be50c100 [0,0,0,1,0,0|3,0,0]=4 7373 B12R1.283 CSCN1CCSCC1C(=O)O 9738f5546c5f85df07a2a4ed0210334e [0,0,0,1,0,0|3,0,0]=4 7374 B12R1.283 CSCN1CCSC[C@@H]1C(=O)O 399d467b010e0972f82e4c9373bcb0a6 [0,0,0,1,0,0|3,0,0]=4 7375 B12R1.283 CSCN1CCSC[C@H]1C(=O)O 2c4f53053ada68d6f346e508d98474d2 [0,0,0,1,0,0|3,0,0]=4 7376 B12R1.283 N#CCN1CCCCC1C(=O)O cb721dafcb753c7fc16024befccb049e [0,0,0,1,0,0|2,0,1]=4 7377 B12R1.283 N#CCN1CCCC[C@@H]1C(=O)O 187dda43c2619cea9f0fda87ff29deae [0,0,0,1,0,0|2,0,1]=4 7378 B12R1.283 N#CCN1CCCC[C@H]1C(=O)O a858edef5b025c723ae8a19ce07aa66c [0,0,0,1,0,0|2,0,1]=4 7379 B12R1.283 NC(=O)C1CCCCN1CCF f8b46bf8b4e3dc0b8800ec9d7300d676 [0,0,0,1,0,0|3,0,0]=4 7380 B12R1.283 NC(=O)C1CCCCN1CCO 9396c6de3491c20ab2298e634cceac9b [0,0,0,1,0,0|3,0,0]=4 7381 B12R1.283 NC(=O)C1CCCCN1CCS a79c9db6b3f5df26d5be4486bd7a907f [0,0,0,1,0,0|3,0,0]=4 7382 B12R1.283 NC(=O)[C@@H]1CCCCN1CCF e92fb418338bcf352cfd09427f80768e [0,0,0,1,0,0|3,0,0]=4 7383 B12R1.283 NC(=O)[C@@H]1CCCCN1CCO 6cd699fd977203c1efd5257e9d44eb04 [0,0,0,1,0,0|3,0,0]=4 7384 B12R1.283 NC(=O)[C@@H]1CCCCN1CCS e58821ae7e65fc570b8821a4de0b9ade [0,0,0,1,0,0|3,0,0]=4 7385 B12R1.283 NC(=O)[C@@H]1CCCC[C@@H]1NCF 99bb538343af8391c6204be472430be4 [0,0,0,1,0,0|3,0,0]=4 7386 B12R1.283 NC(=O)[C@@H]1CCCC[C@@H]1NCO ed6e0dcf842476ea00eae361d65c0b52 [0,0,0,1,0,0|3,0,0]=4 7387 B12R1.283 NC(=O)[C@@H]1CCCC[C@H]1NCF 0f8ba7ee7ee15c4554c79ab2c9eeade0 [0,0,0,1,0,0|3,0,0]=4 7388 B12R1.283 NC(=O)[C@@H]1CCCC[C@H]1NCO 9e926eef0ee50765fc21cfe0089d9296 [0,0,0,1,0,0|3,0,0]=4 7389 B12R1.283 NC(=O)[C@H]1CCCCN1CCF 02e6edb0915aaa2cd9c7e60c84822529 [0,0,0,1,0,0|3,0,0]=4 7390 B12R1.283 NC(=O)[C@H]1CCCCN1CCO b4eccfd470fb528e0ed07d3b86220de3 [0,0,0,1,0,0|3,0,0]=4 7391 B12R1.283 NC(=O)[C@H]1CCCCN1CCS 3860058abe881633ec269e157fa4cf71 [0,0,0,1,0,0|3,0,0]=4 7392 B12R1.283 NC(=O)[C@H]1CCCC[C@@H]1NCF 363003595678b87295a7edc8f4ae6bf2 [0,0,0,1,0,0|3,0,0]=4 7393 B12R1.283 NC(=O)[C@H]1CCCC[C@@H]1NCO 562266f427bdf4b9eadd7cbfc64bd184 [0,0,0,1,0,0|3,0,0]=4 7394 B12R1.283 NC(=O)[C@H]1CCCC[C@H]1NCF 82bd78a203c7c5e4ae34b0a0fb9b2713 [0,0,0,1,0,0|3,0,0]=4 7395 B12R1.283 NC(=O)[C@H]1CCCC[C@H]1NCO 3671cc8611d8265ca1e8e4743f0972d0 [0,0,0,1,0,0|3,0,0]=4 7396 B12R1.283 O=C(O)C1CCCCC1NCF 3613b171c42f7e04bd3302bf2269addb [0,0,0,1,0,0|2,0,0]=3 7397 B12R1.283 O=C(O)C1CCCCC1NCO 78304e0c0bd989926b139e2dc0599a24 [0,0,0,1,0,0|2,0,0]=3 7398 B12R1.283 O=C(O)C1CCCCC1OCF 6247803eb5093910faa68d017f1f00da [0,0,0,1,0,0|2,0,0]=3 7399 B12R1.283 O=C(O)C1CCCCN1CCF 01473e6d3a646b5d9433d2fc35299be6 [0,0,0,1,0,0|2,0,0]=3 7400 B12R1.283 O=C(O)C1CCCCN1CCO 11476c12e6576304586fde52ef4812da [0,0,0,1,0,0|2,0,0]=3 7401 B12R1.283 O=C(O)C1CCCCN1CCS 10d5bd87ea5b864eb77b788a0ac7a925 [0,0,0,1,0,0|2,0,0]=3 7402 B12R1.283 O=C(O)C1COCCC1OCF d2af0f2a377c09f6e924d82d26dd3679 [0,0,0,1,0,0|3,0,0]=4 7403 B12R1.283 O=C(O)C1COCCN1CCF 114c61e113868949a24ca4da5bf38f4d [0,0,0,1,0,0|3,0,0]=4 7404 B12R1.283 O=C(O)C1COCCN1CCO 3a684a9d7e444adecba03c46756c22ca [0,0,0,1,0,0|3,0,0]=4 7405 B12R1.283 O=C(O)C1COCCN1CCS 8592ac675ee49c95ccf78e318ae8ca50 [0,0,0,1,0,0|3,0,0]=4 7406 B12R1.283 O=C(O)C1CSCCN1CCF 59c7f5ccf4e7e37b66997e0513dc6d46 [0,0,0,1,0,0|3,0,0]=4 7407 B12R1.283 O=C(O)C1CSCCN1CCO bb2bad45ec525c6d51b36a3069e7d743 [0,0,0,1,0,0|3,0,0]=4 7408 B12R1.283 O=C(O)C1CSCCN1CCS 7ce163924a3422323bb1ea4c63e61701 [0,0,0,1,0,0|3,0,0]=4 7409 B12R1.283 O=C(O)C1SCCCN1CCF 4ef41b01439dc0ebe981dedf76ddfdde [0,0,0,1,0,0|3,0,0]=4 7410 B12R1.283 O=C(O)C1SCCCN1CCO 0c5bcf64c303d0289dfa496d4c84df0e [0,0,0,1,0,0|3,0,0]=4 7411 B12R1.283 O=C(O)C1SCCCN1CCS 268ab1397b54d0439055f5ba41378a42 [0,0,0,1,0,0|3,0,0]=4 7412 B12R1.283 O=C(O)[C@@H]1CCCCN1CCF 702d10a0a346e6e7b756b2c68126daef [0,0,0,1,0,0|2,0,0]=3 7413 B12R1.283 O=C(O)[C@@H]1CCCCN1CCO a1536f0ff36702b67fabbe2f58d00dea [0,0,0,1,0,0|2,0,0]=3 7414 B12R1.283 O=C(O)[C@@H]1CCCCN1CCS 3fcbd5cdec6285d32eae39b90a0a8419 [0,0,0,1,0,0|2,0,0]=3 7415 B12R1.283 O=C(O)[C@@H]1CCCC[C@@H]1NCF bffafb52769245d854b2527657138aab [0,0,0,1,0,0|2,0,0]=3 7416 B12R1.283 O=C(O)[C@@H]1CCCC[C@@H]1NCO 8e3f3bacc689fa9f10a7a84fbd215b18 [0,0,0,1,0,0|2,0,0]=3 7417 B12R1.283 O=C(O)[C@@H]1CCOC[C@@H]1NCF fcaa8e5c8787ea6ba0d3555fb0a3ebea [0,0,0,1,0,0|3,0,0]=4 7418 B12R1.283 O=C(O)[C@@H]1CCOC[C@@H]1NCO 7227825d7cb1f58476c20143220283f2 [0,0,0,1,0,0|3,0,0]=4 7419 B12R1.283 O=C(O)[C@@H]1COCCN1CCF 4b8a8082df06945e99088e7d9647804a [0,0,0,1,0,0|3,0,0]=4 7420 B12R1.283 O=C(O)[C@@H]1COCCN1CCO cd4b37fbcba090f8fe818292a4232697 [0,0,0,1,0,0|3,0,0]=4 7421 B12R1.283 O=C(O)[C@@H]1COCCN1CCS 15398f89dc17413f2cd57671ce055d1f [0,0,0,1,0,0|3,0,0]=4 7422 B12R1.283 O=C(O)[C@@H]1CSCCN1CCF 540667d404c9faf55330a43d7ed06c68 [0,0,0,1,0,0|3,0,0]=4 7423 B12R1.283 O=C(O)[C@@H]1CSCCN1CCO 7fd8ebc8f728a2b994e3559cd47f64a6 [0,0,0,1,0,0|3,0,0]=4 7424 B12R1.283 O=C(O)[C@@H]1CSCCN1CCS 4d8a46b8ebfefc58c52316b3b5a23567 [0,0,0,1,0,0|3,0,0]=4 7425 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 8b2c20c91c5b2c09442910b1f2c35d97 [0,0,0,1,0,0|2,0,0]=3 7426 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 32126ba51df45dd24e2233d0e9e38f8f [0,0,0,1,0,0|2,0,0]=3 7427 B12R1.283 O=C(O)[C@H]1CCCCN1CCS d100bf19c1b2f7861f96aa5f7059b49f [0,0,0,1,0,0|2,0,0]=3 7428 B12R1.283 O=C(O)[C@H]1CCCC[C@@H]1NCF a685bed1a957a59852a717f7b287cb8f [0,0,0,1,0,0|2,0,0]=3 7429 B12R1.283 O=C(O)[C@H]1CCCC[C@@H]1NCO 8e77ad608cb6d48367d1dc7aae6b708d [0,0,0,1,0,0|2,0,0]=3 7430 B12R1.283 O=C(O)[C@H]1COCCN1CCF 527f29655e382c918a22c2a1bbf92c83 [0,0,0,1,0,0|3,0,0]=4 7431 B12R1.283 O=C(O)[C@H]1COCCN1CCO 67f426c3d3025ba2ced6e9de31d66991 [0,0,0,1,0,0|3,0,0]=4 7432 B12R1.283 O=C(O)[C@H]1COCCN1CCS d9dc1b0bb00131f7ccdfea5e01448840 [0,0,0,1,0,0|3,0,0]=4 7433 B12R1.283 O=C(O)[C@H]1CSCCN1CCF 8a8d521a1cc5f92460dd3f30a2254287 [0,0,0,1,0,0|3,0,0]=4 7434 B12R1.283 O=C(O)[C@H]1CSCCN1CCO 7b2ca43df9ae209c09addd23f7674c16 [0,0,0,1,0,0|3,0,0]=4 7435 B12R1.283 O=C(O)[C@H]1CSCCN1CCS e26a7ac4fe57d364f6157496f3b77552 [0,0,0,1,0,0|3,0,0]=4 7436 B12R1.283 O=CCN1CCCCC1C(=O)O 2730a0677ad5430505ae21f39efc2289 [0,0,0,1,0,0|2,0,1]=4 7437 B12R1.283 O=CCN1CCCC[C@@H]1C(=O)O e5fd82bae7801d4aa26cb290d032e1db [0,0,0,1,0,0|2,0,1]=4 7438 B12R1.283 O=CCN1CCCC[C@H]1C(=O)O bfc151a2cdb3d0482be6c1eafd526b59 [0,0,0,1,0,0|2,0,1]=4 7439 B12R1.289 C#CCN1CCCC1CC(=O)O ba5c8978e9e74dd04c86769479944cd3 [0,0,0,1,0,0|1,0,2]=4 7440 B12R1.289 C#CCN1CCC[C@@H]1CC(=O)O a2af58ed184a2ac9b660fd3c6c70a693 [0,0,0,1,0,0|1,0,2]=4 7441 B12R1.289 C#CCN1CCC[C@H]1CC(=O)O 02bc6fd652a293826cd4bae012468e6d [0,0,0,1,0,0|1,0,2]=4 7442 B12R1.289 C=CCN1CCCC1CC(=O)O f87aa2d6db2e4e9acd9166d1ee9c4d73 [0,0,0,1,0,0|1,0,2]=4 7443 B12R1.289 C=CCN1CCC[C@@H]1CC(=O)O 734531968c6fcd81e8b0582fef0494c8 [0,0,0,1,0,0|1,0,2]=4 7444 B12R1.289 C=CCN1CCC[C@H]1CC(=O)O b37f1dbfba39cf71795ff68b384a7227 [0,0,0,1,0,0|1,0,2]=4 7445 B12R1.289 CCCC1C=CCN1CC(=O)O 4dc0d625a61490570e250e81ca81f7df [0,0,0,1,0,0|1,0,2]=4 7446 B12R1.289 CCCC1SCCN1CC(=O)N fea53db6821fc4b30d9123ebdaa585b5 [0,0,0,1,0,0|3,0,0]=4 7447 B12R1.289 CCCC1SCCN1CC(=O)O 1add0a8a23159bddda0dd9f78bb85756 [0,0,0,1,0,0|2,0,0]=3 7448 B12R1.289 CCCN1CCCC1CC(=O)O 5ab52f7819964ea5746c897e9f209b5d [0,0,0,1,0,0|1,0,0]=2 7449 B12R1.289 CCCN1CCC[C@@H]1CC(=O)O bf160ee86cef9555754ad1c4c493993f [0,0,0,1,0,0|1,0,0]=2 7450 B12R1.289 CCCN1CCC[C@H]1CC(=O)O 0926e28dbaa25186f0b0fee71283ef15 [0,0,0,1,0,0|1,0,0]=2 7451 B12R1.289 CCO[C@H]1CCC[C@@H]1NC(=O)C 7e029a6239194c082f3741259d2d532e [0,0,0,1,0,0|3,0,0]=4 7452 B12R1.289 COCC1CCCN1CC(=O)N ad75db5c891d5f294213a33fae8ecd4a [0,0,0,1,0,0|3,0,0]=4 7453 B12R1.289 COCC1CCCN1CC(=O)O ce213cbd5a62158b82cf73d05a2c03cc [0,0,0,1,0,0|2,0,0]=3 7454 B12R1.289 COCN1CCCC1CC(=O)O 6ecc2621576816ed73891db55d23726a [0,0,0,1,0,0|2,0,0]=3 7455 B12R1.289 COCN1CCC[C@@H]1CC(=O)O ded55387dd1cf668b3b576f496b16dd5 [0,0,0,1,0,0|2,0,0]=3 7456 B12R1.289 COCN1CCC[C@H]1CC(=O)O 1a7bad48f4bc3f1ab79e97ea0cbc1ac0 [0,0,0,1,0,0|2,0,0]=3 7457 B12R1.289 COC[C@@H]1CCCN1CC(=O)N 9f15e406bb9fa0ac947522b9c6a145f0 [0,0,0,1,0,0|3,0,0]=4 7458 B12R1.289 COC[C@@H]1CCCN1CC(=O)O 056672140c9fd0711d982840370a0923 [0,0,0,1,0,0|2,0,0]=3 7459 B12R1.289 COC[C@@H]1CCC[C@@H]1NC(=O)C 79708390bac38a731965621b36822aae [0,0,0,1,0,0|3,0,0]=4 7460 B12R1.289 COC[C@H]1CCCN1CC(=O)N cb7844612f737ca43b209fbd50a62346 [0,0,0,1,0,0|3,0,0]=4 7461 B12R1.289 COC[C@H]1CCCN1CC(=O)O 198d1490af356ed69afd8a4c99184605 [0,0,0,1,0,0|2,0,0]=3 7462 B12R1.289 COC[C@H]1CCC[C@H]1NC(=O)C 7a0c9645bcf81deafac5c8db970be1f0 [0,0,0,1,0,0|3,0,0]=4 7463 B12R1.289 CSCC1CCCN1CC(=O)N 0c9422f3ed08eae921f9ca011230e638 [0,0,0,1,0,0|3,0,0]=4 7464 B12R1.289 CSCC1CCCN1CC(=O)O 4ce4eb77482c678522d4edb1c24742b9 [0,0,0,1,0,0|2,0,0]=3 7465 B12R1.289 CSCN1CCCC1CC(=O)O 5e98a8019904459e5498de3977fb3372 [0,0,0,1,0,0|2,0,0]=3 7466 B12R1.289 CSCN1CCC[C@@H]1CC(=O)O f758ae04a87dd09c3c7807b82cd59665 [0,0,0,1,0,0|2,0,0]=3 7467 B12R1.289 CSCN1CCC[C@H]1CC(=O)O 90c94c30b068c47c51e26c290ff7ccaf [0,0,0,1,0,0|2,0,0]=3 7468 B12R1.289 N#CCN1CCCC1CC(=O)O 63f0951d97030fcc236f731f5023910e [0,0,0,1,0,0|2,0,1]=4 7469 B12R1.289 N#CCN1CCC[C@@H]1CC(=O)O 066293f2ab9610ffdb483b1e4741cd63 [0,0,0,1,0,0|2,0,1]=4 7470 B12R1.289 N#CCN1CCC[C@H]1CC(=O)O 54b3320a3aa310ea8a4c32e2966fc13b [0,0,0,1,0,0|2,0,1]=4 7471 B12R1.289 NC(=O)CN1CCCC1CCO 7e92a203e869355919a27360bebbdb49 [0,0,0,1,0,0|3,0,0]=4 7472 B12R1.289 NC(=O)CN1CCC[C@@H]1CCO 13fd25e76106db5f1a08e29164311f61 [0,0,0,1,0,0|3,0,0]=4 7473 B12R1.289 O=C(O)CC1CCCN1CCF 49f79b2ce6c853dad6d898c5e0d3f71c [0,0,0,1,0,0|2,0,0]=3 7474 B12R1.289 O=C(O)CC1CCCN1CCO 7551fd8dd94e53c78dd37a2cc808790e [0,0,0,1,0,0|2,0,0]=3 7475 B12R1.289 O=C(O)CC1CCCN1CCS cfeda80351b0922da99a691cfd499c0f [0,0,0,1,0,0|2,0,0]=3 7476 B12R1.289 O=C(O)CN1CCCC1CCO a811c30b0af30a771585b0bded5c600a [0,0,0,1,0,0|2,0,0]=3 7477 B12R1.289 O=C(O)CN1CCC[C@@H]1CCO 970b3c491708a3ac9d4f4dec7ad0097a [0,0,0,1,0,0|2,0,0]=3 7478 B12R1.289 O=C(O)C[C@@H]1CCCN1CCF 4d77d20ff475bfc13bd6af6c26e0bdff [0,0,0,1,0,0|2,0,0]=3 7479 B12R1.289 O=C(O)C[C@@H]1CCCN1CCO 4137454e19b76c11b9a593b327fa7770 [0,0,0,1,0,0|2,0,0]=3 7480 B12R1.289 O=C(O)C[C@@H]1CCCN1CCS 1695d85ab66c2cd24986802fe66f9af7 [0,0,0,1,0,0|2,0,0]=3 7481 B12R1.289 O=C(O)C[C@H]1CCCN1CCF cd87571b090170ef9e6a43a0cd45cc22 [0,0,0,1,0,0|2,0,0]=3 7482 B12R1.289 O=C(O)C[C@H]1CCCN1CCO 6da673bdab412ca0ddac54e34ad9f743 [0,0,0,1,0,0|2,0,0]=3 7483 B12R1.289 O=C(O)C[C@H]1CCCN1CCS 377f6977830ceba426c247109d91c4bd [0,0,0,1,0,0|2,0,0]=3 7484 B12R1.289 O=CCN1CCCC1CC(=O)O 323e2d35ea2eb965b93264839e3ff3df [0,0,0,1,0,0|2,0,1]=4 7485 B12R1.289 O=CCN1CCC[C@@H]1CC(=O)O b5fb1a6e008d298e2b9f12d710d0ab8d [0,0,0,1,0,0|2,0,1]=4 7486 B12R1.289 O=CCN1CCC[C@H]1CC(=O)O 251ce482202bb9570d9aa40b429a4d4f [0,0,0,1,0,0|2,0,1]=4 7487 B12R1.321 CCCCN1CCCCC(C1)O 1e14194b6903d7a146bf2c590eba9a6b [0,0,0,1,0,0|2,0,1]=4 7488 B12R1.321 CCCCN1CCCC[C@H](C1)O 4f9b1d12ad51123f80bcedce1998373b [0,0,0,1,0,0|2,0,1]=4 7489 B12R1.321 CCCCN1CCCNC(=O)C1 74edd50be96c8d10b1a9ab85b7ecdb76 [0,0,0,1,0,0|3,0,0]=4 7490 B12R1.321 CCCOC1CCCNC(=O)C1 613b246a29a98fa233a4b20d966fc3f9 [0,0,0,1,0,0|3,0,0]=4 7491 B12R1.321 CCOCC1CCCCC(=O)N1 837f1b31b3c4f97e4560e55cd1cb9fa1 [0,0,0,1,0,0|2,0,0]=3 7492 B12R1.321 O=C1CCCCC(N1)COCF b127f72b87ae048def4248e3d615d70b [0,0,0,1,0,0|3,0,0]=4 7493 B12R1.324 C#CCCN1CCC1CC(=O)O 1090838644bff8807c9fced56fb87437 [0,0,0,1,0,0|1,0,2]=4 7494 B12R1.324 C/C=C/CN1CCC1CC(=O)O 442244019a444835b7e5d6d1fc5ffd13 [0,0,0,1,0,0|1,0,2]=4 7495 B12R1.324 C/C=C\CN1CCC1CC(=O)O 581061d0c01b8e6834a86be13a7a18e4 [0,0,0,1,0,0|1,0,2]=4 7496 B12R1.324 C=CCCN1CCC1CC(=O)O 88f6a5dea57589cf84e94e4b2fe2b5d3 [0,0,0,1,0,0|1,0,2]=4 7497 B12R1.324 CCCCN1CCC1CC(=O)O 9616ded4178e8bca4e7aea6f8208d945 [0,0,0,1,0,0|1,0,0]=2 7498 B12R1.324 CCCOC1CCC1OC(=O)C 61734e7df11aa94e19218ee711ec5a85 [0,0,0,1,0,0|3,0,0]=4 7499 B12R1.324 CCOCN1CCC1CC(=O)O 6877e278e35927880799d510249c9a65 [0,0,0,1,0,0|2,0,0]=3 7500 B12R1.324 COCCN1CCC1CC(=O)O 18f2bf4dce306b1d7435e17d215f2688 [0,0,0,1,0,0|2,0,0]=3 7501 B12R1.324 CSCCN1CCC1CC(=O)O f52b8dbf27ae2c403597990c63edc91d [0,0,0,1,0,0|2,0,0]=3 7502 B12R1.324 N#CCCN1CCC1CC(=O)O f7dd9c0a2296f2116557369325b8a280 [0,0,0,1,0,0|2,0,1]=4 7503 B12R1.324 O=C(O)CC1CCN1CCCF c14218a0ebbeffe7ef99f96bc2aded7b [0,0,0,1,0,0|2,0,0]=3 7504 B12R1.324 O=C(O)CC1CCN1CCCO 983be34e8d5bc0f507c0ee8172f1fd58 [0,0,0,1,0,0|2,0,0]=3 7505 B12R1.324 O=C(O)CC1CCN1CCCS 7f87fb6e06e74df0e9f8d339b40a3984 [0,0,0,1,0,0|2,0,0]=3 7506 B12R1.324 O=CCCN1CCC1CC(=O)O 41196e4fb1eeba48522c4c9749febf55 [0,0,0,1,0,0|2,0,1]=4 7507 B12R1.384 CCCNC1CCCCC1(C)O 4b76d79cf4aa90cd043301c7e8791e59 [0,0,0,1,0,0|2,0,1]=4 7508 B12R1.386 C#CCCN1CCCC1C(=O)O 883f486a8258739a38ee3529b7a096ee [0,0,0,1,0,0|1,0,2]=4 7509 B12R1.386 C#CCCN1CCC[C@@H]1C(=O)O bd256fa899537fba01cbe27f3bb90b52 [0,0,0,1,0,0|1,0,2]=4 7510 B12R1.386 C#CCCN1CCC[C@H]1C(=O)O 688bc85963557122cd898558c1b81ab1 [0,0,0,1,0,0|1,0,2]=4 7511 B12R1.386 C#CCN[C@@H]1CCC[C@@H]1C(=O)O af73bc094075e712d14449cf07d41306 [0,0,0,1,0,0|1,0,2]=4 7512 B12R1.386 C#CCN[C@H]1CCC[C@@H]1C(=O)O 7f8be619afd86ecbcbd548cc0b2227df [0,0,0,1,0,0|1,0,2]=4 7513 B12R1.386 C#CCN[C@H]1CCC[C@H]1C(=O)O 82c631cd8cdb7da5cec641cde7ce42ab [0,0,0,1,0,0|1,0,2]=4 7514 B12R1.386 C#CCOC1CCCC1C(=O)O 6c0bb52985899c53885f1d65c57228e7 [0,0,0,1,0,0|1,0,2]=4 7515 B12R1.386 C#CCO[C@@H]1CCC[C@@H]1C(=O)O c6909f32bdbea362ece32aad1a95ef41 [0,0,0,1,0,0|1,0,2]=4 7516 B12R1.386 C#CCO[C@@H]1CCC[C@H]1C(=O)O 46907870f9ad69714c110613de680d42 [0,0,0,1,0,0|1,0,2]=4 7517 B12R1.386 C#CCO[C@H]1CCC[C@H]1C(=O)O 0cb81ca3e668b021fda87d21623de057 [0,0,0,1,0,0|1,0,2]=4 7518 B12R1.386 C/C=C/CN1CCCC1C(=O)O 07bc368e8ba86f05cc339942c9a12fcf [0,0,0,1,0,0|1,0,2]=4 7519 B12R1.386 C/C=C/CN1CCC[C@@H]1C(=O)O 758b7295244c9b57c0fc429cbc1a688a [0,0,0,1,0,0|1,0,2]=4 7520 B12R1.386 C/C=C/CN1CCC[C@H]1C(=O)O f6d58b22151669e33761b2e25f3dcf37 [0,0,0,1,0,0|1,0,2]=4 7521 B12R1.386 C/C=C\CN1CCCC1C(=O)O e237ae6b42015e0f79b6b643dac8d76a [0,0,0,1,0,0|1,0,2]=4 7522 B12R1.386 C/C=C\CN1CCC[C@@H]1C(=O)O 0112d1b2cc0bc03259732e1717187edd [0,0,0,1,0,0|1,0,2]=4 7523 B12R1.386 C/C=C\CN1CCC[C@H]1C(=O)O a89161c8c8d00a685edb70c83638a8f0 [0,0,0,1,0,0|1,0,2]=4 7524 B12R1.386 C=CCCN1CCCC1C(=O)O d3ceba19504d275f39c02e45012448eb [0,0,0,1,0,0|1,0,2]=4 7525 B12R1.386 C=CCCN1CCC[C@@H]1C(=O)O 014a3fb9e2e9d1c7641e40a11fedca93 [0,0,0,1,0,0|1,0,2]=4 7526 B12R1.386 C=CCCN1CCC[C@H]1C(=O)O ab4a436acbccfb2f0de41beac29ca060 [0,0,0,1,0,0|1,0,2]=4 7527 B12R1.386 C=CCN[C@@H]1CCC[C@@H]1C(=O)O 79c43ff0db47c821781c2df356884de6 [0,0,0,1,0,0|1,0,2]=4 7528 B12R1.386 C=CCN[C@H]1CCC[C@@H]1C(=O)O 5a7456345706a0065eebfb5b9e415e83 [0,0,0,1,0,0|1,0,2]=4 7529 B12R1.386 C=CCN[C@H]1CCC[C@H]1C(=O)O e9d5620394b65018d48228d5ce5661e8 [0,0,0,1,0,0|1,0,2]=4 7530 B12R1.386 C=CCOC1CCCC1C(=O)O 82f96151c6388157861cf5dd61a159ea [0,0,0,1,0,0|1,0,2]=4 7531 B12R1.386 C=CCO[C@@H]1CCC[C@@H]1C(=O)O d814e1428515ffc5a0cf9036b6daa77e [0,0,0,1,0,0|1,0,2]=4 7532 B12R1.386 C=CCO[C@@H]1CCC[C@H]1C(=O)O 1e54aaafee3c93b3977571d6029129d4 [0,0,0,1,0,0|1,0,2]=4 7533 B12R1.386 C=CCO[C@H]1CCC[C@H]1C(=O)O dae5d1c3bd50751cdb5c6e01a5e84125 [0,0,0,1,0,0|1,0,2]=4 7534 B12R1.386 CC#CCN1CCCC1C(=O)O f97c049a1280ebf48135528976a38a51 [0,0,0,1,0,0|1,0,2]=4 7535 B12R1.386 CC#CCN1CCC[C@@H]1C(=O)O 32f85a80c65fb3fb6ae52f4acc5c9638 [0,0,0,1,0,0|1,0,2]=4 7536 B12R1.386 CC#CCN1CCC[C@H]1C(=O)O 91b5568add2e6bdf05a2e629cb4c6467 [0,0,0,1,0,0|1,0,2]=4 7537 B12R1.386 CCCCC1CCCN1C(=O)C f24cfb2b1a2445296afae0f77873b2b9 [0,0,0,1,0,0|2,0,0]=3 7538 B12R1.386 CCCCN1CC=CC1C(=O)O e24b8e51be0ea4b7c123841d95f67728 [0,0,0,1,0,0|1,0,2]=4 7539 B12R1.386 CCCCN1CC=C[C@H]1C(=O)O c6c280b88f86dd00bcc182cee449cc5c [0,0,0,1,0,0|1,0,2]=4 7540 B12R1.386 CCCCN1CCCC1C(=O)N cf967fad9f3baf2ef4cdf3e17dc59a20 [0,0,0,1,0,0|2,0,0]=3 7541 B12R1.386 CCCCN1CCCC1C(=O)O 8d254cf786b863422f204444f8f985bd [0,0,0,1,0,0|1,0,0]=2 7542 B12R1.386 CCCCN1CCCC1C(C)O d029916e218f818c2cf753375f706d06 [0,0,0,1,0,0|2,0,1]=4 7543 B12R1.386 CCCCN1CCC[C@@H]1C(=O)N 301ea273ed9a9e2a5530340188d94ae6 [0,0,0,1,0,0|2,0,0]=3 7544 B12R1.386 CCCCN1CCC[C@@H]1C(=O)O 501d7bd1b7fce3248993801a6cec2990 [0,0,0,1,0,0|1,0,0]=2 7545 B12R1.386 CCCCN1CCC[C@@H]1C(C)O ae2125a24d6340a3a01ad6e43b2e84f7 [0,0,0,1,0,0|2,0,1]=4 7546 B12R1.386 CCCCN1CCC[C@H]1C(=O)N 9c21298f6b3ecb92543f176be124f3a5 [0,0,0,1,0,0|2,0,0]=3 7547 B12R1.386 CCCCN1CCC[C@H]1C(=O)O 9b23be9f3658261df2da572c35e583b5 [0,0,0,1,0,0|1,0,0]=2 7548 B12R1.386 CCCCN1CCC[C@H]1[C@H](C)O 42d2cf09affa9283b250e4f573c0b35e [0,0,0,1,0,0|2,0,1]=4 7549 B12R1.386 CCCCN1CCSC1C(=O)O 14dc26b77e4f810eedce261d8eb4edce [0,0,0,1,0,0|2,0,0]=3 7550 B12R1.386 CCCCN1CSCC1C(=O)O b05dd5351b9b0348074d3b74d105b0d6 [0,0,0,1,0,0|2,0,0]=3 7551 B12R1.386 CCCCN1CSC[C@@H]1C(=O)O e91e143cbad3d91dd3fe6cbb56109c25 [0,0,0,1,0,0|2,0,0]=3 7552 B12R1.386 CCCCN1CSC[C@H]1C(=O)O 98726bad78a678f345f942c95659a018 [0,0,0,1,0,0|2,0,0]=3 7553 B12R1.386 CCCNC1C=CCC1C(=O)O 30d66fb592ffbe6ce4ee2cda94359b91 [0,0,0,1,0,0|1,0,2]=4 7554 B12R1.386 CCCNC1COCC1C(=O)N b2f4fbbb4c5f72db2bac20729d94f316 [0,0,0,1,0,0|3,0,0]=4 7555 B12R1.386 CCCN[C@@H]1CCC[C@@H]1C(=O)O cfad12ade12f99a87002af6ea9f0932a [0,0,0,1,0,0|1,0,0]=2 7556 B12R1.386 CCCN[C@@H]1COC[C@@H]1C(=O)N 611cb59b36a5fffaed2aedf6cc34f134 [0,0,0,1,0,0|3,0,0]=4 7557 B12R1.386 CCCN[C@@H]1COC[C@@H]1C(=O)O 648f76ca324ea02eb132baa9d5273454 [0,0,0,1,0,0|2,0,0]=3 7558 B12R1.386 CCCN[C@@H]1COC[C@H]1C(=O)N f5d8434bd8d25fe3ce36cc78077f53a1 [0,0,0,1,0,0|3,0,0]=4 7559 B12R1.386 CCCN[C@@H]1COC[C@H]1C(=O)O b5d8dc5cc229bd9a232f2d86d888043a [0,0,0,1,0,0|2,0,0]=3 7560 B12R1.386 CCCN[C@H]1CCC[C@@H]1C(=O)O 79616891427e1d4385f831e5e0a6f18c [0,0,0,1,0,0|1,0,0]=2 7561 B12R1.386 CCCN[C@H]1CCC[C@H]1C(=O)O 7ac340d2f94a27891b1a8a8d65014002 [0,0,0,1,0,0|1,0,0]=2 7562 B12R1.386 CCCN[C@H]1COC[C@@H]1C(=O)N 8467b9e4644bd5ce23231c768bd4e088 [0,0,0,1,0,0|3,0,0]=4 7563 B12R1.386 CCCN[C@H]1COC[C@@H]1C(=O)O 8379f3f9a7a5ab4e393a52d520b48a92 [0,0,0,1,0,0|2,0,0]=3 7564 B12R1.386 CCCN[C@H]1COC[C@H]1C(=O)N 06060be18d3944c2dc62554d2f06eb00 [0,0,0,1,0,0|3,0,0]=4 7565 B12R1.386 CCCN[C@H]1COC[C@H]1C(=O)O 5b5ee8f6709847d58bd03e0ae2cd0597 [0,0,0,1,0,0|2,0,0]=3 7566 B12R1.386 CCCOC1CCCC1C(=O)N 32625c660ae6aa77c7994f522537cf4e [0,0,0,1,0,0|2,0,0]=3 7567 B12R1.386 CCCOC1CCCC1C(=O)O 9501ea922c9ec74de76107ab6828f48e [0,0,0,1,0,0|1,0,0]=2 7568 B12R1.386 CCCO[C@@H]1CCC[C@@H]1C(=O)O 0bb4c9ade21944eabef58e324215cff7 [0,0,0,1,0,0|1,0,0]=2 7569 B12R1.386 CCCO[C@@H]1CCC[C@H]1C(=O)O 65bec8f1ca36232606a9e9ea7bc075a3 [0,0,0,1,0,0|1,0,0]=2 7570 B12R1.386 CCCO[C@H]1CCC[C@H]1C(=O)O 3d0418fcac664d10915b2c9cd7fdabb2 [0,0,0,1,0,0|1,0,0]=2 7571 B12R1.386 CCOCC1CCCN1C(=O)C 8b99b835a26cddc5ef329b77270b3ce6 [0,0,0,1,0,0|3,0,0]=4 7572 B12R1.386 CCOCN1CCCC1C(=O)N 4be2f42547c3605964e224fe155935a1 [0,0,0,1,0,0|3,0,0]=4 7573 B12R1.386 CCOCN1CCCC1C(=O)O 9dc0786836ddeb9d9c64610332a8b081 [0,0,0,1,0,0|2,0,0]=3 7574 B12R1.386 CCOCN1CCC[C@@H]1C(=O)N e7118bfce921feb3178575e81b015c1a [0,0,0,1,0,0|3,0,0]=4 7575 B12R1.386 CCOCN1CCC[C@@H]1C(=O)O a90a26cbf95373bb04bebfd767c00acc [0,0,0,1,0,0|2,0,0]=3 7576 B12R1.386 CCOCN1CCC[C@H]1C(=O)N fcaaf1b71e85bc6906755f9a7e2e6007 [0,0,0,1,0,0|3,0,0]=4 7577 B12R1.386 CCOCN1CCC[C@H]1C(=O)O addf65a7e1ab572e7d562013daec93bd [0,0,0,1,0,0|2,0,0]=3 7578 B12R1.386 CCOCN1CCSC1C(=O)O d4fef019bd470f91447f4012e9fb10d4 [0,0,0,1,0,0|3,0,0]=4 7579 B12R1.386 CCOCN1CSCC1C(=O)O db9cb718dd81c8e9c8db706550a4440e [0,0,0,1,0,0|3,0,0]=4 7580 B12R1.386 CCOCN1CSC[C@@H]1C(=O)O 72050ab99c89b03f2f11a3d39de8685e [0,0,0,1,0,0|3,0,0]=4 7581 B12R1.386 CCOCN1CSC[C@H]1C(=O)O d87a9e602974bb3d06039e1abd2e11a8 [0,0,0,1,0,0|3,0,0]=4 7582 B12R1.386 CCOC[C@@H]1CCCN1C(=O)C e6ab020175e343d263e271cf4b38f209 [0,0,0,1,0,0|3,0,0]=4 7583 B12R1.386 CCOC[C@@H]1CCCN1C(=O)N 96c8c632e0d90a50f3cd52877cf14af4 [0,0,0,1,0,0|3,0,0]=4 7584 B12R1.386 CCOC[C@H]1CCCN1C(=O)C a2c3a4da0688d944e3d308c42652d9c2 [0,0,0,1,0,0|3,0,0]=4 7585 B12R1.386 COCCC1CCCN1C(=O)C 0d47c615f04e5f6be562a40eda18cf6a [0,0,0,1,0,0|3,0,0]=4 7586 B12R1.386 COCCN1CCCC1C(=O)N f176c7adfcb38dcfadb7e49950ecb748 [0,0,0,1,0,0|3,0,0]=4 7587 B12R1.386 COCCN1CCCC1C(=O)O ddbcae8e375b359dabd53f0f2a05aa1d [0,0,0,1,0,0|2,0,0]=3 7588 B12R1.386 COCCN1CCC[C@@H]1C(=O)N 75436ba053ccc2339147bbb840357bd3 [0,0,0,1,0,0|3,0,0]=4 7589 B12R1.386 COCCN1CCC[C@@H]1C(=O)O 67daef876c918031f68511815ca63f7e [0,0,0,1,0,0|2,0,0]=3 7590 B12R1.386 COCCN1CCC[C@H]1C(=O)N b1e73484e7b91f529871ec5908b45ccf [0,0,0,1,0,0|3,0,0]=4 7591 B12R1.386 COCCN1CCC[C@H]1C(=O)O 58dd0f712f31ac3d19e404d463f64ce7 [0,0,0,1,0,0|2,0,0]=3 7592 B12R1.386 COCCN1CCSC1C(=O)O f747b6cc95c413dff32f1d0c64c98a72 [0,0,0,1,0,0|3,0,0]=4 7593 B12R1.386 COCCN1CSCC1C(=O)O 635e25c741e7b2137055df9e0e6e2d48 [0,0,0,1,0,0|3,0,0]=4 7594 B12R1.386 COCCN1CSC[C@@H]1C(=O)O 5c743690455a9712fbd550537b65f7ee [0,0,0,1,0,0|3,0,0]=4 7595 B12R1.386 COCCN1CSC[C@H]1C(=O)O 8538dc3ab463b0ec16b7d3e1f4af91f6 [0,0,0,1,0,0|3,0,0]=4 7596 B12R1.386 COCN[C@@H]1CCC[C@@H]1C(=O)O 491586bb76e082fd98924d927aa64cc8 [0,0,0,1,0,0|2,0,0]=3 7597 B12R1.386 COCN[C@@H]1COC[C@@H]1C(=O)O f66df3dffcacf57404d25dfde4031c6d [0,0,0,1,0,0|3,0,0]=4 7598 B12R1.386 COCN[C@@H]1COC[C@H]1C(=O)O c8b7a7d9adb11ccfed7ee3d1af87b531 [0,0,0,1,0,0|3,0,0]=4 7599 B12R1.386 COCN[C@H]1CCC[C@@H]1C(=O)O ef1b9a8e320bdf74cfe9258146dcf404 [0,0,0,1,0,0|2,0,0]=3 7600 B12R1.386 COCN[C@H]1CCC[C@H]1C(=O)O 75f30233712e084f9ba26f855009c396 [0,0,0,1,0,0|2,0,0]=3 7601 B12R1.386 COCN[C@H]1COC[C@@H]1C(=O)O ce8c75c89b43f12225a950ce3e403111 [0,0,0,1,0,0|3,0,0]=4 7602 B12R1.386 COCN[C@H]1COC[C@H]1C(=O)O 78a2cbf5cee44d9a3a5d5e1920caf986 [0,0,0,1,0,0|3,0,0]=4 7603 B12R1.386 COCOC1CCCC1C(=O)N 249abb2e6b05492766e314d4a45601d2 [0,0,0,1,0,0|3,0,0]=4 7604 B12R1.386 COCOC1CCCC1C(=O)O 58da31758895398214e6014d22bf464e [0,0,0,1,0,0|2,0,0]=3 7605 B12R1.386 COCO[C@@H]1CCC[C@@H]1C(=O)O c4ae1c505a7916f95ed8601b198c0093 [0,0,0,1,0,0|2,0,0]=3 7606 B12R1.386 COCO[C@@H]1CCC[C@H]1C(=O)O 3b0492866a69c9449acbe380c352773f [0,0,0,1,0,0|2,0,0]=3 7607 B12R1.386 COCO[C@H]1CCC[C@H]1C(=O)O 1e96bbfb19b717dd3f290654a66228e1 [0,0,0,1,0,0|2,0,0]=3 7608 B12R1.386 CSCCN1CCCC1C(=O)N a2c3701d92699527adfbdedd4360c33b [0,0,0,1,0,0|3,0,0]=4 7609 B12R1.386 CSCCN1CCCC1C(=O)O aa1429c553b9468a98a6424a9b6379d2 [0,0,0,1,0,0|2,0,0]=3 7610 B12R1.386 CSCCN1CCC[C@@H]1C(=O)N a387546aeac1189304e8db3f13f9ffd0 [0,0,0,1,0,0|3,0,0]=4 7611 B12R1.386 CSCCN1CCC[C@@H]1C(=O)O 130b03042307f800c7aaf03bd7432346 [0,0,0,1,0,0|2,0,0]=3 7612 B12R1.386 CSCCN1CCC[C@H]1C(=O)N 15b08db7d66e33a6f66cac901252ad17 [0,0,0,1,0,0|3,0,0]=4 7613 B12R1.386 CSCCN1CCC[C@H]1C(=O)O 6325ddaec83582ae22d82136b0892c81 [0,0,0,1,0,0|2,0,0]=3 7614 B12R1.386 CSCCN1CCSC1C(=O)O fc12229e180ada6f8aa3a5922fd13c73 [0,0,0,1,0,0|3,0,0]=4 7615 B12R1.386 CSCCN1CSCC1C(=O)O ca669a953f1ccb020d69f01f3f02997a [0,0,0,1,0,0|3,0,0]=4 7616 B12R1.386 CSCCN1CSC[C@@H]1C(=O)O e5652ebdc8e122a8e90c8d748e92c22a [0,0,0,1,0,0|3,0,0]=4 7617 B12R1.386 CSCCN1CSC[C@H]1C(=O)O bbe8f2fb773bf017d1157f78958c5fa3 [0,0,0,1,0,0|3,0,0]=4 7618 B12R1.386 CSCN[C@@H]1CCC[C@@H]1C(=O)O f19c2165d460c75486a6657abe43cd3d [0,0,0,1,0,0|2,0,0]=3 7619 B12R1.386 CSCN[C@@H]1COC[C@@H]1C(=O)O 392c6c49e86ebd8902e61c3fc3ba56cc [0,0,0,1,0,0|3,0,0]=4 7620 B12R1.386 CSCN[C@@H]1COC[C@H]1C(=O)O 011155ad46671f1de8b64a0faee1bf69 [0,0,0,1,0,0|3,0,0]=4 7621 B12R1.386 CSCN[C@H]1CCC[C@@H]1C(=O)O 9dfd5f557f41be91da74c95f7d3f6fd8 [0,0,0,1,0,0|2,0,0]=3 7622 B12R1.386 CSCN[C@H]1CCC[C@H]1C(=O)O 8343e12ceab00ebf4064c61cf7d561f1 [0,0,0,1,0,0|2,0,0]=3 7623 B12R1.386 CSCN[C@H]1COC[C@@H]1C(=O)O b7c41cb82424cb695b160379695bb0b4 [0,0,0,1,0,0|3,0,0]=4 7624 B12R1.386 CSCN[C@H]1COC[C@H]1C(=O)O c0dab8aa823b70329a6becc1cdca4a81 [0,0,0,1,0,0|3,0,0]=4 7625 B12R1.386 CSCOC1CCCC1C(=O)N a03978ff4047a8a5a659f4246c107de1 [0,0,0,1,0,0|3,0,0]=4 7626 B12R1.386 CSCOC1CCCC1C(=O)O 2de3dab6df103db5e9bd296b815dd2b6 [0,0,0,1,0,0|2,0,0]=3 7627 B12R1.386 CSCO[C@@H]1CCC[C@@H]1C(=O)O f8f860fa9371343aa9c6952c4fbcd146 [0,0,0,1,0,0|2,0,0]=3 7628 B12R1.386 CSCO[C@@H]1CCC[C@H]1C(=O)O 1c5f69ca35dd25de7ce5c0799be1740b [0,0,0,1,0,0|2,0,0]=3 7629 B12R1.386 CSCO[C@H]1CCC[C@H]1C(=O)O 714dcc6da0d914bc00af5f577e76df62 [0,0,0,1,0,0|2,0,0]=3 7630 B12R1.386 N#CCCN1CCCC1C(=O)O b2bdb305c1b4da256a6001d30bd1531b [0,0,0,1,0,0|2,0,1]=4 7631 B12R1.386 N#CCCN1CCC[C@@H]1C(=O)O 80566b0dd2a1397f8cb4fd8547d25323 [0,0,0,1,0,0|2,0,1]=4 7632 B12R1.386 N#CCCN1CCC[C@H]1C(=O)O c9e1f37689c7e58f2bad1bba000e591f [0,0,0,1,0,0|2,0,1]=4 7633 B12R1.386 N#CCN[C@@H]1CCC[C@@H]1C(=O)O 86ea85f67d531dab1563f6c50bea5cb7 [0,0,0,1,0,0|2,0,1]=4 7634 B12R1.386 N#CCN[C@H]1CCC[C@@H]1C(=O)O ec65cf95273395ab38826fca633ca86d [0,0,0,1,0,0|2,0,1]=4 7635 B12R1.386 N#CCN[C@H]1CCC[C@H]1C(=O)O 5b5f4b74bbeaab09d5a508462f976488 [0,0,0,1,0,0|2,0,1]=4 7636 B12R1.386 N#CCOC1CCCC1C(=O)O 6991d435205befdc4e68b6e27e7d17ca [0,0,0,1,0,0|2,0,1]=4 7637 B12R1.386 N#CCO[C@@H]1CCC[C@@H]1C(=O)O 6809e97e34aa95270d75ea6cbc85f601 [0,0,0,1,0,0|2,0,1]=4 7638 B12R1.386 N#CCO[C@@H]1CCC[C@H]1C(=O)O 7549859ebe8baa55c4d7a7b720a81deb [0,0,0,1,0,0|2,0,1]=4 7639 B12R1.386 N#CCO[C@H]1CCC[C@H]1C(=O)O c2810e640aeacb257d54ddaaedca5db0 [0,0,0,1,0,0|2,0,1]=4 7640 B12R1.386 NC(=O)C1CCCC1OCCF 86174a6f49047827657fd26e1d33bb3a [0,0,0,1,0,0|3,0,0]=4 7641 B12R1.386 NC(=O)C1CCCC1OCCS f1a08a751167bad5e54fba506144b2be [0,0,0,1,0,0|3,0,0]=4 7642 B12R1.386 NC(=O)C1CCCN1CCCF 9e8c723849e51f1f5fa92455b26f4ab5 [0,0,0,1,0,0|3,0,0]=4 7643 B12R1.386 NC(=O)C1CCCN1CCCO cfde097120cbfb85aa24231ec17d46ad [0,0,0,1,0,0|3,0,0]=4 7644 B12R1.386 NC(=O)C1CCCN1CCCS 8b67ba9e8c9ef7162b760cfa728dc6c5 [0,0,0,1,0,0|3,0,0]=4 7645 B12R1.386 NC(=O)[C@@H]1CCCN1CCCF 592988eb87d4113f26ddc3bbfc5dab73 [0,0,0,1,0,0|3,0,0]=4 7646 B12R1.386 NC(=O)[C@@H]1CCCN1CCCO 7846b08ea916f501f959d27fede72390 [0,0,0,1,0,0|3,0,0]=4 7647 B12R1.386 NC(=O)[C@@H]1CCCN1CCCS c7ce68d54a7f846439ddfdb4627bd647 [0,0,0,1,0,0|3,0,0]=4 7648 B12R1.386 NC(=O)[C@H]1CCCN1CCCF 51274553a78917393ae0c2b3e1c9879e [0,0,0,1,0,0|3,0,0]=4 7649 B12R1.386 NC(=O)[C@H]1CCCN1CCCO dd10afde0941f69e8a231d84ab15ca5b [0,0,0,1,0,0|3,0,0]=4 7650 B12R1.386 NC(=O)[C@H]1CCCN1CCCS 5aafa4b808b0578d7b23ea8431010c6a [0,0,0,1,0,0|3,0,0]=4 7651 B12R1.386 O=C(O)C1CCCC1OCCF 0e8f30f64e3b2880dc26c9a7892894b9 [0,0,0,1,0,0|2,0,0]=3 7652 B12R1.386 O=C(O)C1CCCC1OCCS 874c1a933a95460070f6cc3efb9e970e [0,0,0,1,0,0|2,0,0]=3 7653 B12R1.386 O=C(O)C1CCCN1CCCF 672e69b325cef9d4739796c6c8d610ae [0,0,0,1,0,0|2,0,0]=3 7654 B12R1.386 O=C(O)C1CCCN1CCCO 6e7d2ad7b2dac4879bd6c46dddb641df [0,0,0,1,0,0|2,0,0]=3 7655 B12R1.386 O=C(O)C1CCCN1CCCS 0f305891ffc8f6bb9e785695e3d4a6ff [0,0,0,1,0,0|2,0,0]=3 7656 B12R1.386 O=C(O)C1CSCN1CCCF f7d456020ebfab4928c0f4abbce843ad [0,0,0,1,0,0|3,0,0]=4 7657 B12R1.386 O=C(O)C1CSCN1CCCO 2d625b0b8b35760a6d154f72539428b7 [0,0,0,1,0,0|3,0,0]=4 7658 B12R1.386 O=C(O)C1CSCN1CCCS 287032d337b8cba29d4d162d9a6ea562 [0,0,0,1,0,0|3,0,0]=4 7659 B12R1.386 O=C(O)C1SCCN1CCCF 974dd9dc85d5c9775c5e8a7ad2e36f76 [0,0,0,1,0,0|3,0,0]=4 7660 B12R1.386 O=C(O)C1SCCN1CCCO 4c0f6a1aefdaf49bd007028b3775c7d3 [0,0,0,1,0,0|3,0,0]=4 7661 B12R1.386 O=C(O)C1SCCN1CCCS b4a58f4445e1abfb026851f91e6ac7da [0,0,0,1,0,0|3,0,0]=4 7662 B12R1.386 O=C(O)[C@@H]1CCCN1CCCF a67faa2a72875aadc75a20066a85cc6b [0,0,0,1,0,0|2,0,0]=3 7663 B12R1.386 O=C(O)[C@@H]1CCCN1CCCO 7abe359d378e56955095e713821b39dc [0,0,0,1,0,0|2,0,0]=3 7664 B12R1.386 O=C(O)[C@@H]1CCCN1CCCS 1205bee19e8ed61510313b5ba2e36f82 [0,0,0,1,0,0|2,0,0]=3 7665 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCF d62e2f67a4ba81017c0c290b6e030c58 [0,0,0,1,0,0|2,0,0]=3 7666 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCO 8437ec49059462c1f928514deb1910f4 [0,0,0,1,0,0|2,0,0]=3 7667 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1NCCS a6945f56b53b0726174436a5d6b11bc4 [0,0,0,1,0,0|2,0,0]=3 7668 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1OCCF 8b9fd38a62017afdc74bfa0316e5a347 [0,0,0,1,0,0|2,0,0]=3 7669 B12R1.386 O=C(O)[C@@H]1CCC[C@@H]1OCCS 95ab2a3017bc33673701a42ec30039d2 [0,0,0,1,0,0|2,0,0]=3 7670 B12R1.386 O=C(O)[C@@H]1CCC[C@H]1OCCF 81a7d6fdd16dd872fc60e3a0536c7cdb [0,0,0,1,0,0|2,0,0]=3 7671 B12R1.386 O=C(O)[C@@H]1CCC[C@H]1OCCS 54f1cc450448c5c51e78be0142bec4ab [0,0,0,1,0,0|2,0,0]=3 7672 B12R1.386 O=C(O)[C@@H]1COC[C@@H]1NCCF 83ea17507dec66cc38dc68903c13be44 [0,0,0,1,0,0|3,0,0]=4 7673 B12R1.386 O=C(O)[C@@H]1COC[C@@H]1NCCO 013d2c8f2d219148f6f612a125a37ff3 [0,0,0,1,0,0|3,0,0]=4 7674 B12R1.386 O=C(O)[C@@H]1COC[C@@H]1NCCS 4fd6e98da5189223fe72774628a78d17 [0,0,0,1,0,0|3,0,0]=4 7675 B12R1.386 O=C(O)[C@@H]1COC[C@H]1NCCF 36c70c917c81014a86a8e4e9bc63a8cc [0,0,0,1,0,0|3,0,0]=4 7676 B12R1.386 O=C(O)[C@@H]1COC[C@H]1NCCO c2e5023fa9d379f735d07aa7ac331160 [0,0,0,1,0,0|3,0,0]=4 7677 B12R1.386 O=C(O)[C@@H]1COC[C@H]1NCCS f563e089c7cff75bf9c5bb5353ff3bd1 [0,0,0,1,0,0|3,0,0]=4 7678 B12R1.386 O=C(O)[C@@H]1CSCN1CCCF 80cc403f0851eea36c083c25fc2806ca [0,0,0,1,0,0|3,0,0]=4 7679 B12R1.386 O=C(O)[C@@H]1CSCN1CCCO 212b6680e1659ecdfe7f5fbefc20e422 [0,0,0,1,0,0|3,0,0]=4 7680 B12R1.386 O=C(O)[C@@H]1CSCN1CCCS 9d302de11ab1d8e2a207765439cdc7fd [0,0,0,1,0,0|3,0,0]=4 7681 B12R1.386 O=C(O)[C@H]1CCCN1CCCF 3e0cb63485d41a0fd741fab003c14be8 [0,0,0,1,0,0|2,0,0]=3 7682 B12R1.386 O=C(O)[C@H]1CCCN1CCCO ce6e2fcc9468db22007f04db7bfabd04 [0,0,0,1,0,0|2,0,0]=3 7683 B12R1.386 O=C(O)[C@H]1CCCN1CCCS 62bbbbba3a8ee3a43eb083b5d29f5735 [0,0,0,1,0,0|2,0,0]=3 7684 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCF ee7d46b58a2adec8739838fc0be1d9d4 [0,0,0,1,0,0|2,0,0]=3 7685 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCO 4b74ac1184672ef96b5e4728045eb8ac [0,0,0,1,0,0|2,0,0]=3 7686 B12R1.386 O=C(O)[C@H]1CCC[C@@H]1NCCS f00dfbbd6163169e3d56c6704f331fc9 [0,0,0,1,0,0|2,0,0]=3 7687 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCF a89744aaa1bf7774ec29788cebe04b5f [0,0,0,1,0,0|2,0,0]=3 7688 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCO 19a8bdfb5790ded200ab9d5e84a260f4 [0,0,0,1,0,0|2,0,0]=3 7689 B12R1.386 O=C(O)[C@H]1CCC[C@H]1NCCS 2acf4da215abd174778c23887ecef249 [0,0,0,1,0,0|2,0,0]=3 7690 B12R1.386 O=C(O)[C@H]1CCC[C@H]1OCCF 44e421678538b3f147b76364d0f9516a [0,0,0,1,0,0|2,0,0]=3 7691 B12R1.386 O=C(O)[C@H]1CCC[C@H]1OCCS 9be096b3c08c013ce33b12a9c0f79101 [0,0,0,1,0,0|2,0,0]=3 7692 B12R1.386 O=C(O)[C@H]1COC[C@@H]1NCCF 850ffe2936457ceb5406a5b70a8e621e [0,0,0,1,0,0|3,0,0]=4 7693 B12R1.386 O=C(O)[C@H]1COC[C@@H]1NCCO 8026bc8bb4e9a5dcfb41b44f55ff124b [0,0,0,1,0,0|3,0,0]=4 7694 B12R1.386 O=C(O)[C@H]1COC[C@@H]1NCCS 9bd3f491acafbb5e8c8d249b05d97629 [0,0,0,1,0,0|3,0,0]=4 7695 B12R1.386 O=C(O)[C@H]1COC[C@H]1NCCF 8591539d590cec815751511db3328174 [0,0,0,1,0,0|3,0,0]=4 7696 B12R1.386 O=C(O)[C@H]1COC[C@H]1NCCO f89f41b07c8cc16982029313cf51e59b [0,0,0,1,0,0|3,0,0]=4 7697 B12R1.386 O=C(O)[C@H]1COC[C@H]1NCCS f23a3325a3724cb42b567d24e45297e8 [0,0,0,1,0,0|3,0,0]=4 7698 B12R1.386 O=C(O)[C@H]1CSCN1CCCF 11b213fb19e2c1dd050060beb2af326c [0,0,0,1,0,0|3,0,0]=4 7699 B12R1.386 O=C(O)[C@H]1CSCN1CCCO 8c8dbef2dd4df74add287a1c047943a2 [0,0,0,1,0,0|3,0,0]=4 7700 B12R1.386 O=C(O)[C@H]1CSCN1CCCS 86eddaea3a84ec5f2f614942094f8153 [0,0,0,1,0,0|3,0,0]=4 7701 B12R1.386 O=CCCN1CCCC1C(=O)O bb08800795f15aab8aa8eccd35a24f07 [0,0,0,1,0,0|2,0,1]=4 7702 B12R1.386 O=CCCN1CCC[C@@H]1C(=O)O 8968e894892f44c90ddd97889b2ae53d [0,0,0,1,0,0|2,0,1]=4 7703 B12R1.386 O=CCCN1CCC[C@H]1C(=O)O e06951b6271e697c345e689bb74c8528 [0,0,0,1,0,0|2,0,1]=4 7704 B12R1.386 O=CCN[C@@H]1CCC[C@@H]1C(=O)O 47df8befd592e1d68457abf2fef0611f [0,0,0,1,0,0|2,0,1]=4 7705 B12R1.386 O=CCN[C@H]1CCC[C@@H]1C(=O)O 3db89796227b57edff69f399771c4cd5 [0,0,0,1,0,0|2,0,1]=4 7706 B12R1.386 O=CCN[C@H]1CCC[C@H]1C(=O)O ac944f04ecbcca98fbad4240f3882e09 [0,0,0,1,0,0|2,0,1]=4 7707 B12R1.386 O=CCOC1CCCC1C(=O)O 99a8eb1350a0a63326319c1b65021390 [0,0,0,1,0,0|2,0,1]=4 7708 B12R1.386 O=CCO[C@@H]1CCC[C@@H]1C(=O)O bd200fef079b5ca482e79620842c5431 [0,0,0,1,0,0|2,0,1]=4 7709 B12R1.386 O=CCO[C@@H]1CCC[C@H]1C(=O)O d59394482c98dc1205372d397f0746be [0,0,0,1,0,0|2,0,1]=4 7710 B12R1.386 O=CCO[C@H]1CCC[C@H]1C(=O)O 556dac478d52ceae7888b4e9d1f6021f [0,0,0,1,0,0|2,0,1]=4 7711 B12R1.390 C=C(C)CCCNCCC1CC1 f5c2f7f4e46428fd4ab915c7063a1f8a [0,0,0,1,0,0|3,0,0]=4 7712 B12R1.390 C=C(C)CCCOCCC1CC1 2f7ec4ec7d45e11302bb79093561fff6 [0,0,0,1,0,0|3,0,0]=4 7713 B12R1.390 C=C(C)CCOCCCC1CC1 aa0e0ebb415d536474b1e330e612f50f [0,0,0,1,0,0|3,0,0]=4 7714 B12R1.390 CC(=O)CCCCCNC1CC1 e8062cd98dbb22d0287fb43792a2ab84 [0,0,0,1,0,0|2,0,0]=3 7715 B12R1.390 CC(=O)CCCCCOC1CC1 a5ad8e1dc0290f028ec2bab875875022 [0,0,0,1,0,0|2,0,0]=3 7716 B12R1.390 CC(=O)CCCCNCC1CC1 309fbdb962c6e9cd7704fb3ae91b248d [0,0,0,1,0,0|2,0,0]=3 7717 B12R1.390 CC(=O)CCCCOCC1CC1 f84a1ed9d9a93077acb82bc1a331e2c2 [0,0,0,1,0,0|2,0,0]=3 7718 B12R1.390 CC(=O)CCCNCCC1CC1 bb663138f7dda6cbf97733575bac5f40 [0,0,0,1,0,0|2,0,0]=3 7719 B12R1.390 CC(=O)CCCNCCN1CC1 2d4810111e96004ff9f896c7acaa78b9 [0,0,0,1,0,0|3,0,0]=4 7720 B12R1.390 CC(=O)CCCOCCC1CC1 16fc571b39f6cfb35414377a119053b4 [0,0,0,1,0,0|2,0,0]=3 7721 B12R1.390 CC(=O)CCCOCCN1CC1 12bbd638be54005827874806eae84a56 [0,0,0,1,0,0|3,0,0]=4 7722 B12R1.390 CC(=O)CCNCCOC1CC1 7c7d48702b4334b397feca7f2c844426 [0,0,0,1,0,0|3,0,0]=4 7723 B12R1.390 CC(=O)CCOCCCC1CC1 4638f665f5c69b6be447981598236020 [0,0,0,1,0,0|2,0,0]=3 7724 B12R1.390 CC(=O)CCOCCOC1CC1 af7358a20f1d86251960eb5191666c22 [0,0,0,1,0,0|3,0,0]=4 7725 B12R1.390 CC(=O)NCCCCNC1CC1 102ac44c3e1181a0950a145bb73e066e [0,0,0,1,0,0|3,0,0]=4 7726 B12R1.390 CC(=O)NCCCNCC1CC1 e4b5b4b536503d747e688644ca82fb09 [0,0,0,1,0,0|3,0,0]=4 7727 B12R1.390 CC(=O)NCCCOCC1CC1 538a8045af712e48cc6d11d98cc348a1 [0,0,0,1,0,0|3,0,0]=4 7728 B12R1.390 CC(=O)NCCNCCC1CC1 295fc03159fc6db1b5f97ca4583231e6 [0,0,0,1,0,0|3,0,0]=4 7729 B12R1.390 CC(=O)NCCOCCC1CC1 72809a0f783b685f9f20013c36599e34 [0,0,0,1,0,0|3,0,0]=4 7730 B12R1.390 CC(=O)OCCCCNC1CC1 8025e6af6f60c034b40ba4a821f3518f [0,0,0,1,0,0|3,0,0]=4 7731 B12R1.390 CC(=O)OCCCCOC1CC1 0bbc1ea64168f3111e6b89cfd417f314 [0,0,0,1,0,0|3,0,0]=4 7732 B12R1.390 CC(=O)OCCCNCC1CC1 2837370f683ba79afcf5125542f7619f [0,0,0,1,0,0|3,0,0]=4 7733 B12R1.390 CC(=O)OCCCOCC1CC1 c49f6e1220d160f608ee7a67e592db78 [0,0,0,1,0,0|3,0,0]=4 7734 B12R1.390 CC(=O)OCCNCCC1CC1 058d24aca0131c3f348e2d2bee8a3872 [0,0,0,1,0,0|3,0,0]=4 7735 B12R1.390 CC(=O)OCCOCCC1CC1 b2fef2cee62c9a18a7022a84992da320 [0,0,0,1,0,0|3,0,0]=4 7736 B12R1.390 CC(=O)OCOCCCC1CC1 cad425552d5dc4e234de25fb2be3dca4 [0,0,0,1,0,0|3,0,0]=4 7737 B12R1.390 CC(=O)SCCCCNC1CC1 2d891664b633d46f872120b3b2895307 [0,0,0,1,0,0|3,0,0]=4 7738 B12R1.390 CC(=O)SCCCCOC1CC1 f0d88ec0383fb3250f9228984d477259 [0,0,0,1,0,0|3,0,0]=4 7739 B12R1.390 CC(=O)SCCCNCC1CC1 57c28168b892a9587fb0f0f9ce183073 [0,0,0,1,0,0|3,0,0]=4 7740 B12R1.390 CC(=O)SCCCOCC1CC1 0fa4678fecd9041a9553937c5a5109cf [0,0,0,1,0,0|3,0,0]=4 7741 B12R1.390 CC(=O)SCCNCCC1CC1 d798a185432143be0fd463937300e1f4 [0,0,0,1,0,0|3,0,0]=4 7742 B12R1.390 CC(=O)SCCOCCC1CC1 38a4f7a83be089a3f7a12c2effd08af9 [0,0,0,1,0,0|3,0,0]=4 7743 B12R1.390 CC(O)CCCCNCC1CC1 f49b6d04d4f3023d58cc9b08b3d41976 [0,0,0,1,0,0|2,0,1]=4 7744 B12R1.390 CC(O)CCCNCCC1CC1 e2eea692ac8ff8395ba7388dde558d73 [0,0,0,1,0,0|2,0,1]=4 7745 B12R1.390 CS(=O)CCCNCCC1CC1 60b4d4ccc7c2d1bc812fb7f1dbf7999d [0,0,0,1,0,0|3,0,0]=4 7746 B12R1.390 CS(=O)CCOCCCC1CC1 af948e400f1453336e215d0e4c945c6b [0,0,0,1,0,0|3,0,0]=4 7747 B12R1.390 C[C@@H](O)CCCCNCC1CC1 68fbb5bb61d687571ad36d559f530b34 [0,0,0,1,0,0|2,0,1]=4 7748 B12R1.390 NC(=O)CCCCCNC1CC1 81fff814d3783e65ab083ebe570b6cff [0,0,0,1,0,0|2,0,0]=3 7749 B12R1.390 NC(=O)CCCCCOC1CC1 b910d372617371853e9457c4ad7a0d9d [0,0,0,1,0,0|2,0,0]=3 7750 B12R1.390 NC(=O)CCCCNCC1CC1 3be4773453c1228de12e22a232feb2a3 [0,0,0,1,0,0|2,0,0]=3 7751 B12R1.390 NC(=O)CCCCOCC1CC1 51aa0947f9fcea90c8f042f686fae500 [0,0,0,1,0,0|2,0,0]=3 7752 B12R1.390 NC(=O)CCCNCCC1CC1 11990932d262544793bbb953dba75302 [0,0,0,1,0,0|2,0,0]=3 7753 B12R1.390 NC(=O)CCCNCCN1CC1 7e1b9d1bac88a9876be9f63c766c27cc [0,0,0,1,0,0|3,0,0]=4 7754 B12R1.390 NC(=O)CCCOCCC1CC1 0eaa80eb6ddf98fd019826c9f0d259e3 [0,0,0,1,0,0|2,0,0]=3 7755 B12R1.390 NC(=O)CCCOCCN1CC1 3aecdb5ece20e686e7b7df5c8859f780 [0,0,0,1,0,0|3,0,0]=4 7756 B12R1.390 NC(=O)CCNCCOC1CC1 49fe535e0c928f70a05250ea1995cf14 [0,0,0,1,0,0|3,0,0]=4 7757 B12R1.390 NC(=O)CCOCCCC1CC1 4f2c53859fe86c5930bdf1cd63e3f3d8 [0,0,0,1,0,0|2,0,0]=3 7758 B12R1.390 NC(=O)CCOCCOC1CC1 2e84d9fd029d423962944e86faebcf47 [0,0,0,1,0,0|3,0,0]=4 7759 B12R1.390 NC(=O)CNCCSCC1CC1 2fd910b08c156355261f3518328df16d [0,0,0,1,0,0|3,0,0]=4 7760 B12R1.390 NC(=O)COCCCSC1CC1 bb9deb6eb70d394d6a9b710c49f3c909 [0,0,0,1,0,0|3,0,0]=4 7761 B12R1.390 NC(=O)COCCNCC1CC1 f89505eadd6e44177294e28b4e5ce5d5 [0,0,0,1,0,0|3,0,0]=4 7762 B12R1.390 NC(=O)COCCOCC1CC1 8bf5214bfca07fc52a17b5306b66b684 [0,0,0,1,0,0|3,0,0]=4 7763 B12R1.390 NC(=O)CSCCOCC1CC1 6cac0a8a332bf98c63958b3f1b986cab [0,0,0,1,0,0|3,0,0]=4 7764 B12R1.390 NC(=O)NCCNCCC1CC1 5b63f23e381be299f482ebc1eba1eac2 [0,0,0,1,0,0|3,0,0]=4 7765 B12R1.390 NC(=O)NCCOCCC1CC1 fc2edbe7027fc1c709564da61486773b [0,0,0,1,0,0|3,0,0]=4 7766 B12R1.390 NC(=O)SCOCCCC1CC1 00248e1e94c34aa6991a1465b64ebc56 [0,0,0,1,0,0|3,0,0]=4 7767 B12R1.390 O=C(O)/C=C/CNCCC1CC1 2de1c4842359bd1863fe4421d4a14e3d [0,0,0,1,0,0|1,0,2]=4 7768 B12R1.390 O=C(O)/C=C/COCCC1CC1 16990d172c8c2027ef83e1a210fec6a0 [0,0,0,1,0,0|1,0,2]=4 7769 B12R1.390 O=C(O)C#CCCOCC1CC1 8fd831ee2d5b6bb100e4314303caf85a [0,0,0,1,0,0|1,0,2]=4 7770 B12R1.390 O=C(O)C#CCNCCC1CC1 d955983c652308c8c7591b06ea13d140 [0,0,0,1,0,0|1,0,2]=4 7771 B12R1.390 O=C(O)C#CCOCCC1CC1 1b87dc4b8bbefda4bffa8915b712bb36 [0,0,0,1,0,0|1,0,2]=4 7772 B12R1.390 O=C(O)C=CCNCCC1CC1 0563c3cf31c4bf8ecf9256bcc48c9db3 [0,0,0,1,0,0|1,0,2]=4 7773 B12R1.390 O=C(O)C=CCOCCC1CC1 5765d06956be74292b8f83002f0277a8 [0,0,0,1,0,0|1,0,2]=4 7774 B12R1.390 O=C(O)CCCCCNC1CC1 9d2efd054b2df89f273859f3cf87b696 [0,0,0,1,0,0|1,0,0]=2 7775 B12R1.390 O=C(O)CCCCCOC1CC1 d9f73c1f75605c8c666b29a2329ba2d3 [0,0,0,1,0,0|1,0,0]=2 7776 B12R1.390 O=C(O)CCCCNCC1CC1 2332e86a60f2402d937abc8d0f9b81a5 [0,0,0,1,0,0|1,0,0]=2 7777 B12R1.390 O=C(O)CCCCOCC1CC1 b7c6452faf2ef5cc08b9da872439324a [0,0,0,1,0,0|1,0,0]=2 7778 B12R1.390 O=C(O)CCCNCCC1CC1 21f7f789f47361c988dde0b9bcd8bb3a [0,0,0,1,0,0|1,0,0]=2 7779 B12R1.390 O=C(O)CCCNCCN1CC1 7938b7fa8cdb99e8d5cc175c7989d337 [0,0,0,1,0,0|2,0,0]=3 7780 B12R1.390 O=C(O)CCCOCCC1CC1 32c69780f07b26ee36a3826018eab396 [0,0,0,1,0,0|1,0,0]=2 7781 B12R1.390 O=C(O)CCCOCCN1CC1 29a00bdf6c2b50422ff5652d217a1569 [0,0,0,1,0,0|2,0,0]=3 7782 B12R1.390 O=C(O)CCNCCOC1CC1 0fd71ae4dcb79a6c92f524ae82d49923 [0,0,0,1,0,0|2,0,0]=3 7783 B12R1.390 O=C(O)CCOC/C=C/C1CC1 eeed804e84e594a7f8dc17358abde61e [0,0,0,1,0,0|1,0,2]=4 7784 B12R1.390 O=C(O)CCOCC#CC1CC1 e093632cfe132370fab81a003bf691ae [0,0,0,1,0,0|1,0,2]=4 7785 B12R1.390 O=C(O)CCOCCCC1CC1 a7571845e3911af88a130ff18aba8d17 [0,0,0,1,0,0|1,0,0]=2 7786 B12R1.390 O=C(O)CCOCCNC1CC1 55e16efcce41d967faeaa22610d50505 [0,0,0,1,0,0|2,0,0]=3 7787 B12R1.390 O=C(O)CCOCCOC1CC1 c8f1716f4e22021f342033eadfa61c90 [0,0,0,1,0,0|2,0,0]=3 7788 B12R1.390 O=C(O)CNCCCC=C1CC1 7f886029bbdb45b633e5de4678899fc1 [0,0,0,1,0,0|1,0,2]=4 7789 B12R1.390 O=C(O)CNCCSCC1CC1 6bc439a5eccd81a25a1e5f4b7ac03c27 [0,0,0,1,0,0|2,0,0]=3 7790 B12R1.390 O=C(O)COCCCC=C1CC1 95f6d8dc31023a89a5e0ecfebb757b84 [0,0,0,1,0,0|1,0,2]=4 7791 B12R1.390 O=C(O)COCCCNC1CC1 e7d4efff3246d3bf313cdb4fa9f74f49 [0,0,0,1,0,0|2,0,0]=3 7792 B12R1.390 O=C(O)COCCCOC1CC1 325993320abd90b5be90a193f317ec0e [0,0,0,1,0,0|2,0,0]=3 7793 B12R1.390 O=C(O)COCCCSC1CC1 86ac76bf6d50c2655fbb455050475214 [0,0,0,1,0,0|2,0,0]=3 7794 B12R1.390 O=C(O)COCCNCC1CC1 dc12c02993b4921ecf5d75899241ffc5 [0,0,0,1,0,0|2,0,0]=3 7795 B12R1.390 O=C(O)COCCOCC1CC1 b949fbfc3e454d292636e73b1b2204f8 [0,0,0,1,0,0|2,0,0]=3 7796 B12R1.390 O=C(O)CSCCNCC1CC1 7ab2e1ec4bb4d5cdb1d438047de213fa [0,0,0,1,0,0|2,0,0]=3 7797 B12R1.390 O=S(O)CCNCCOC1CC1 67ddf4404138b7e3502e1befa3f791fb [0,0,0,1,0,0|3,0,0]=4 7798 B12R1.390 O=[N+]([O-])CCCCOCC1CC1 566fbfec674e7ce82cf12a8dc799462c [0,0,0,1,0,0|2,0,1]=4 7799 B12R1.390 O=[N+]([O-])CCCNCCC1CC1 ec8440c8259ed7194e7fc2211ced49db [0,0,0,1,0,0|2,0,1]=4 7800 B12R1.390 O=[N+]([O-])CCCOCCC1CC1 79aa27c5ec27517226c47328b25df22b [0,0,0,1,0,0|2,0,1]=4 7801 B12R1.395 C#C[C@H]1C[C@H]1COCCC(=O)O 14e35ed1d205e7dae187d93ffef15c78 [0,0,0,1,0,0|1,0,2]=4 7802 B12R1.395 CC(=O)CCCN[C@@H]1C[C@H]1CO 32bba8e136e62af9acda6c5d45322d1e [0,0,0,1,0,0|3,0,0]=4 7803 B12R1.395 CC(=O)CCCN[C@H]1C[C@@H]1CO 62bfa29637822bff0f7aff4cd4b08a89 [0,0,0,1,0,0|3,0,0]=4 7804 B12R1.395 CC(=O)CCCN[C@H]1C[C@H]1CO 67a3e0e480925234049757b01ec46dca [0,0,0,1,0,0|3,0,0]=4 7805 B12R1.395 CC(=O)CCNCC1CC1CO 04b7889045b79c85ffce164a09c2309e [0,0,0,1,0,0|3,0,0]=4 7806 B12R1.395 CO[C@H]1C[C@H]1NCCCC(=O)C bbeac1586a9fbfa1696e667206fcd820 [0,0,0,1,0,0|3,0,0]=4 7807 B12R1.395 CO[C@H]1C[C@H]1NCCCC(=O)N b259bf91dd169e00488f9b83121ffddd [0,0,0,1,0,0|3,0,0]=4 7808 B12R1.395 CO[C@H]1C[C@H]1NCCCC(=O)O ad1d60f6f4702b046f498e5d8b1a21fe [0,0,0,1,0,0|2,0,0]=3 7809 B12R1.395 N#CC1CC1COCCC(=O)O fc6c94b3baf90191149a615867925a68 [0,0,0,1,0,0|2,0,1]=4 7810 B12R1.395 NC(=O)CCCN[C@@H]1C[C@H]1CO bba9a03b30e32b6a110e6f2147428111 [0,0,0,1,0,0|3,0,0]=4 7811 B12R1.395 NC(=O)CCCN[C@H]1C[C@@H]1CO 5e05b081c52359cc9f95e91624e5f637 [0,0,0,1,0,0|3,0,0]=4 7812 B12R1.395 NC(=O)CCCN[C@H]1C[C@H]1CO efa4ee6d5560c3a112e0bb74623125a5 [0,0,0,1,0,0|3,0,0]=4 7813 B12R1.395 NC(=O)CCNCC1CC1CO c9fe64bee5e08259a1b1da2603485e40 [0,0,0,1,0,0|3,0,0]=4 7814 B12R1.395 O=C(O)CCCN[C@@H]1C[C@H]1CO cc724aef4eaaaa64e183525b1127b722 [0,0,0,1,0,0|2,0,0]=3 7815 B12R1.395 O=C(O)CCCN[C@H]1C[C@@H]1CO 3782d21718e3555a634047c373872711 [0,0,0,1,0,0|2,0,0]=3 7816 B12R1.395 O=C(O)CCCN[C@H]1C[C@H]1CO ec538050f9951292b0efa663bf89c09a [0,0,0,1,0,0|2,0,0]=3 7817 B12R1.395 O=C(O)CCNCC1CC1CO 01043809eaee99afab08e854591c30be [0,0,0,1,0,0|2,0,0]=3 7818 B12R1.395 O=CC1CC1NCCCC(=O)O 03ef0dbc8985d089ce4713c2b305dc10 [0,0,0,1,0,0|2,0,1]=4 7819 B12R1.405 CC(=O)N1CCCCCC1CO af86dbc50f4a18bc583243f3bef5c70f [0,0,0,1,0,0|3,0,0]=4 7820 B12R1.405 CCN1CCCCCC1C(=O)O 28d0ecd95a31d5490656ce91b7ffad18 [0,0,0,1,0,0|1,0,0]=2 7821 B12R1.405 CCN1CCCCC[C@@H]1C(=O)O 1a87655fa87733b28a46795465e1469d [0,0,0,1,0,0|1,0,0]=2 7822 B12R1.405 CCN1CCCCC[C@H]1C(=O)O fbb1612037de3d2034737b6a6c708a12 [0,0,0,1,0,0|1,0,0]=2 7823 B12R1.405 CCN1CCCOCC1C(=O)O d3cfce82cd0556b77a432a09a820b0bf [0,0,0,1,0,0|2,0,0]=3 7824 B12R1.405 O=C(O)C1CCCCCN1CF 90179ab866331e793378794bfacd4d7d [0,0,0,1,0,0|2,0,0]=3 7825 B12R1.405 O=C(O)C1CCCCCN1CO 551f428f8af6787ec64511784d37316c [0,0,0,1,0,0|2,0,0]=3 7826 B12R1.405 O=C(O)C1COCCCN1CF d75224852515f991f7fe4c02f474b92a [0,0,0,1,0,0|3,0,0]=4 7827 B12R1.405 O=C(O)C1COCCCN1CO 6d79a78549e2ff9373960701fb73f26d [0,0,0,1,0,0|3,0,0]=4 7828 B12R1.405 O=C(O)[C@@H]1CCCCCN1CF 1c1f5cf0f9211fe24434d4c2a8937469 [0,0,0,1,0,0|2,0,0]=3 7829 B12R1.405 O=C(O)[C@@H]1CCCCCN1CO a1707529d818563288a489327873d1d2 [0,0,0,1,0,0|2,0,0]=3 7830 B12R1.405 O=C(O)[C@H]1CCCCCN1CF 8364586d3c3e15746a34506e4d7b21ec [0,0,0,1,0,0|2,0,0]=3 7831 B12R1.405 O=C(O)[C@H]1CCCCCN1CO cfe3323652ae8854ea5458f4fe249b61 [0,0,0,1,0,0|2,0,0]=3 7832 B12R1.444 C=C(C)CCCN1CCC1CC 8a73f44f33112a211cbad8fcaeaa5190 [0,0,0,1,0,0|3,0,0]=4 7833 B12R1.444 CC(=O)CCCN1CCC1CO d827f5de4ce7fed8ed7b9163b6d0a293 [0,0,0,1,0,0|3,0,0]=4 7834 B12R1.444 CC(=O)CCCN1CC[C@@H]1CO a1b19def14c7ba50e1d1dc4348ac0580 [0,0,0,1,0,0|3,0,0]=4 7835 B12R1.444 CC(=O)CCCN1CC[C@H]1CO d4a743f7f1f98e83c3d1e9be369b5138 [0,0,0,1,0,0|3,0,0]=4 7836 B12R1.444 CCC1CCN1C/C=C/C(=O)O 03e7b237112945acb984647c5a728fc0 [0,0,0,1,0,0|1,0,2]=4 7837 B12R1.444 CCC1CCN1CC=CC(=O)O befe11a533f8194a52f0f0d23d485583 [0,0,0,1,0,0|1,0,2]=4 7838 B12R1.444 CCC1CCN1CCCC(=O)C 775bb23651d11e332042ed32bdc450ef [0,0,0,1,0,0|2,0,0]=3 7839 B12R1.444 CCC1CCN1CCCC(=O)N 76533dda7eb0ed6fe4b938056aada167 [0,0,0,1,0,0|2,0,0]=3 7840 B12R1.444 CCC1CCN1CCCC(=O)O b5261ace6f44f98d2d9e52cc6bfb60a9 [0,0,0,1,0,0|1,0,0]=2 7841 B12R1.444 CCC1CCN1CCCC(C)O 4882379f24626875c1adf004c7633287 [0,0,0,1,0,0|2,0,1]=4 7842 B12R1.444 CCC1CCN1CCC[N+](=O)[O-] 85fc87f4a071cf836368a7be13e18b7c [0,0,0,1,0,0|2,0,1]=4 7843 B12R1.444 CCC1CCN1CCNC(=O)C 35849d59f8463bcfbb2f155c22d41b7e [0,0,0,1,0,0|3,0,0]=4 7844 B12R1.444 CCC1CCN1CCNC(=O)N 7ddfee953df23f6330ba96a507a82833 [0,0,0,1,0,0|3,0,0]=4 7845 B12R1.444 CCC1CCN1CCOC(=O)C 81bb54f973f62541b9c47a9388ebd1e4 [0,0,0,1,0,0|3,0,0]=4 7846 B12R1.444 CCC1CCN1CCSC(=O)C 2e272ca9ed9da33169971d0f31d5f2dc [0,0,0,1,0,0|3,0,0]=4 7847 B12R1.444 COC1CCC1COCC(=O)N 206caebc74cf647d648413749992e58f [0,0,0,1,0,0|3,0,0]=4 7848 B12R1.444 COC1CCC1COCC(=O)O c56104ecefd1b129bea1e4a2ec20c7d1 [0,0,0,1,0,0|2,0,0]=3 7849 B12R1.444 COC1CCC1NCCC(=O)C 8036c6f5f169a87368078569e2b6d12b [0,0,0,1,0,0|3,0,0]=4 7850 B12R1.444 COC1CCC1NCCC(=O)N 3a84d1b86d489c82de864d2bd058ec03 [0,0,0,1,0,0|3,0,0]=4 7851 B12R1.444 COC1CCC1NCCC(=O)O 96c2433c34a02c14bbaabc360bc3801b [0,0,0,1,0,0|2,0,0]=3 7852 B12R1.444 CO[C@@H]1CC[C@@H]1COCC(=O)N b3e264aa385ada24195bfffbf2306fd0 [0,0,0,1,0,0|3,0,0]=4 7853 B12R1.444 CO[C@@H]1CC[C@@H]1COCC(=O)O 6036b89f4ab10c264b6a56a578159944 [0,0,0,1,0,0|2,0,0]=3 7854 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(=O)C 4665cbf3b6abf908c7b5f6b8dc2db8eb [0,0,0,1,0,0|3,0,0]=4 7855 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(=O)N 2c00fbd1390859fa229a73970d08e3d5 [0,0,0,1,0,0|3,0,0]=4 7856 B12R1.444 CO[C@@H]1CC[C@@H]1NCCC(=O)O 0cbdb1a267bdc0248726bf326089fcde [0,0,0,1,0,0|2,0,0]=3 7857 B12R1.444 CO[C@@H]1CC[C@H]1COCC(=O)N 1874aad179772100731e0d5e08f0e8ae [0,0,0,1,0,0|3,0,0]=4 7858 B12R1.444 CO[C@@H]1CC[C@H]1COCC(=O)O df86be5d95fac03d7213c5173772a862 [0,0,0,1,0,0|2,0,0]=3 7859 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(=O)C e033786e4ef5f4cbf7840d70490a97a3 [0,0,0,1,0,0|3,0,0]=4 7860 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(=O)N c224ee9a67882a87b63a421513b82621 [0,0,0,1,0,0|3,0,0]=4 7861 B12R1.444 CO[C@@H]1CC[C@H]1NCCC(=O)O 91966c8467c4440da1b0fa25b447a2f3 [0,0,0,1,0,0|2,0,0]=3 7862 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(=O)C f80a4fa1614502111e6a92b8fd757b4a [0,0,0,1,0,0|3,0,0]=4 7863 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(=O)N 5ff212624895a1f3187f971bd741635b [0,0,0,1,0,0|3,0,0]=4 7864 B12R1.444 CO[C@H]1CC[C@@H]1NCCC(=O)O 60ce0bd23015afc0f92cbf1fc35439d7 [0,0,0,1,0,0|2,0,0]=3 7865 B12R1.444 CO[C@H]1CC[C@H]1NCCC(=O)C 09859bcca83b3703d20a430205f498c6 [0,0,0,1,0,0|3,0,0]=4 7866 B12R1.444 CO[C@H]1CC[C@H]1NCCC(=O)N 53beacf543efa612b68abc62efd23429 [0,0,0,1,0,0|3,0,0]=4 7867 B12R1.444 CO[C@H]1CC[C@H]1NCCC(=O)O 862e72e3c7faeb3ce5376b3d99a12c82 [0,0,0,1,0,0|2,0,0]=3 7868 B12R1.444 NC(=O)CCCN1CCC1CO 9d009c7e34452e6e6ad13754a00df12b [0,0,0,1,0,0|3,0,0]=4 7869 B12R1.444 NC(=O)CCCN1CC[C@@H]1CO 847fbae196a776f97a91bc3ad42846c3 [0,0,0,1,0,0|3,0,0]=4 7870 B12R1.444 NC(=O)CCCN1CC[C@H]1CO 5b0e9a46f9be44fe8641f216c1aff69b [0,0,0,1,0,0|3,0,0]=4 7871 B12R1.444 O=C(O)CCCN1CCC1CO 3fa7368fd8c1506d4a1719fa81b20134 [0,0,0,1,0,0|2,0,0]=3 7872 B12R1.444 O=C(O)CCCN1CC[C@@H]1CO b22cfc7555edb4b943e8fb5bb6db0777 [0,0,0,1,0,0|2,0,0]=3 7873 B12R1.444 O=C(O)CCCN1CC[C@H]1CO 1756ccb1346d200da5608ec071ef897c [0,0,0,1,0,0|2,0,0]=3 7874 B12R1.459 CCCCNC1CCCC1(C)O cd0d5792c45cc05bd48edae2ac432fff [0,0,0,1,0,0|2,0,1]=4 7875 B12R1.459 CCCCN[C@@H]1CCC[C@@]1(C)O e464c92e88374105aef2a8134cf63636 [0,0,0,1,0,0|2,0,1]=4 7876 B12R1.459 CCCCN[C@H]1CCC[C@]1(C)O 195dd8692808db67e786e708f559fc8c [0,0,0,1,0,0|2,0,1]=4 7877 B12R1.459 CCCOCC1CCCS1(=O)=O 9e381e6a8df7dc5e902200c1ed77ae3f [0,0,0,1,0,0|2,0,1]=4 7878 B12R1.522 C#CCCCN1CCC1C(=O)O a219f23afa044b759684d6c7f5f0f5c6 [0,0,0,1,0,0|1,0,2]=4 7879 B12R1.522 C#CCCCN1CC[C@@H]1C(=O)O dd922357d427518f5e16eb59fdf72edf [0,0,0,1,0,0|1,0,2]=4 7880 B12R1.522 C#CCCCN1CC[C@H]1C(=O)O b5118a22b86a1196847a9648fb61f7dc [0,0,0,1,0,0|1,0,2]=4 7881 B12R1.522 C#CCCN[C@H]1CC[C@H]1C(=O)O 50eb971f07738e5ae799fa58b4ca44ae [0,0,0,1,0,0|1,0,2]=4 7882 B12R1.522 C#CCCOC1CCC1C(=O)O a8d47218105fd83e83b1b541e85945a8 [0,0,0,1,0,0|1,0,2]=4 7883 B12R1.522 C#CCCO[C@H]1CC[C@@H]1C(=O)O 53f0b662e44e9c83b2cb1b2414382799 [0,0,0,1,0,0|1,0,2]=4 7884 B12R1.522 C/C=C/CN[C@H]1CC[C@H]1C(=O)O 9d8c4a872140a7df88d027fdeef081df [0,0,0,1,0,0|1,0,2]=4 7885 B12R1.522 C/C=C/COC1CCC1C(=O)O c27f7e59c7fe2f9e5bb8e795633a6422 [0,0,0,1,0,0|1,0,2]=4 7886 B12R1.522 C/C=C/CO[C@H]1CC[C@@H]1C(=O)O 39a7c8ca521810e83e2977fc2faf5a51 [0,0,0,1,0,0|1,0,2]=4 7887 B12R1.522 C/C=C\CN[C@H]1CC[C@H]1C(=O)O 72388e3dd02de23ff248538d70d38a92 [0,0,0,1,0,0|1,0,2]=4 7888 B12R1.522 C/C=C\COC1CCC1C(=O)O 193106378aa10e56b9773260a38466f6 [0,0,0,1,0,0|1,0,2]=4 7889 B12R1.522 C/C=C\CO[C@H]1CC[C@@H]1C(=O)O 4c02bcbf6bb27b07a075a52ff93aa221 [0,0,0,1,0,0|1,0,2]=4 7890 B12R1.522 C=CCCCN1CCC1C(=O)O 13591a647783614702ee6c2a9d21996e [0,0,0,1,0,0|1,0,2]=4 7891 B12R1.522 C=CCCCN1CC[C@@H]1C(=O)O 1cd34028c7b7cc785257577187b71ea1 [0,0,0,1,0,0|1,0,2]=4 7892 B12R1.522 C=CCCCN1CC[C@H]1C(=O)O 348ef31ab55fa31304177ae2770ee90d [0,0,0,1,0,0|1,0,2]=4 7893 B12R1.522 C=CCCN[C@H]1CC[C@H]1C(=O)O 903bc66f3bc5c4641201f30c571dd564 [0,0,0,1,0,0|1,0,2]=4 7894 B12R1.522 C=CCCOC1CCC1C(=O)O d1494f74e448a594aa2dad8ee54dc977 [0,0,0,1,0,0|1,0,2]=4 7895 B12R1.522 C=CCCO[C@H]1CC[C@@H]1C(=O)O 03a093606b6baae31aa6945b2c9cfcf1 [0,0,0,1,0,0|1,0,2]=4 7896 B12R1.522 CC/C=C/CN1CCC1C(=O)O a91ff38b151f43e23ce3e436c461b461 [0,0,0,1,0,0|1,0,2]=4 7897 B12R1.522 CC/C=C/CN1CC[C@@H]1C(=O)O b867ecc335b4c28744febfd7c26a6db6 [0,0,0,1,0,0|1,0,2]=4 7898 B12R1.522 CC/C=C/CN1CC[C@H]1C(=O)O 282c45f041943a65d31663f70ad3d1d8 [0,0,0,1,0,0|1,0,2]=4 7899 B12R1.522 CCCCCN1CCC1C(=O)N b7eea8598b141662821c7b632ef21372 [0,0,0,1,0,0|2,0,0]=3 7900 B12R1.522 CCCCCN1CCC1C(=O)O 868ef6ee956f72f47502d06d7f48c294 [0,0,0,1,0,0|1,0,0]=2 7901 B12R1.522 CCCCCN1CC[C@@H]1C(=O)N 16e6578e20f9468de0bba558b5a1b0af [0,0,0,1,0,0|2,0,0]=3 7902 B12R1.522 CCCCCN1CC[C@@H]1C(=O)O 527dfc21ae8859936644a484936e3ac3 [0,0,0,1,0,0|1,0,0]=2 7903 B12R1.522 CCCCCN1CC[C@H]1C(=O)N 3754ba4c7b595ec8188bed2d288c3f2a [0,0,0,1,0,0|2,0,0]=3 7904 B12R1.522 CCCCCN1CC[C@H]1C(=O)O e660d12881171deded76f2ed1f507815 [0,0,0,1,0,0|1,0,0]=2 7905 B12R1.522 CCCCN[C@H]1CC[C@H]1C(=O)O 0718609899241007041aea70c5170d05 [0,0,0,1,0,0|1,0,0]=2 7906 B12R1.522 CCCCOC1CCC1C(=O)O 31fb62568f257eeb7251cdcb2723daa8 [0,0,0,1,0,0|1,0,0]=2 7907 B12R1.522 CCCCO[C@H]1CC[C@@H]1C(=O)O be56f78fbaef715fca1975af1b02085e [0,0,0,1,0,0|1,0,0]=2 7908 B12R1.522 CCCOCC1CCN1C(=O)C 61e0f31ac8d767cd8f6e291d38e744d8 [0,0,0,1,0,0|3,0,0]=4 7909 B12R1.522 CCOCCN1CCC1C(=O)N be3ffdf9e8444c4ef31ee5cb424f7776 [0,0,0,1,0,0|3,0,0]=4 7910 B12R1.522 CCOCCN1CCC1C(=O)O c34e5b818f146da4447420c030f754a4 [0,0,0,1,0,0|2,0,0]=3 7911 B12R1.522 CCOCCN1CC[C@@H]1C(=O)N c1b4757a45b82ff684fa35999027244a [0,0,0,1,0,0|3,0,0]=4 7912 B12R1.522 CCOCCN1CC[C@@H]1C(=O)O f104e1c3565946d51df64f6ec4e377eb [0,0,0,1,0,0|2,0,0]=3 7913 B12R1.522 CCOCCN1CC[C@H]1C(=O)N 9ab44e065b08741b0edcf158953d97b2 [0,0,0,1,0,0|3,0,0]=4 7914 B12R1.522 CCOCCN1CC[C@H]1C(=O)O 86d29a3de8d4fb146e6d5c8144a1dfac [0,0,0,1,0,0|2,0,0]=3 7915 B12R1.522 CCOCN[C@H]1CC[C@H]1C(=O)O f09ba1a258957938c1783d0a7e929378 [0,0,0,1,0,0|2,0,0]=3 7916 B12R1.522 CCOCOC1CCC1C(=O)O 046c2eaa4895f70f71b312e90d7f114d [0,0,0,1,0,0|2,0,0]=3 7917 B12R1.522 CCOCO[C@H]1CC[C@@H]1C(=O)O 7f3cd850836cd79d019251d2ffe2fa6a [0,0,0,1,0,0|2,0,0]=3 7918 B12R1.522 CCSCCN1CCC1C(=O)N 3e0f526444c78170d5ddc0cad36168b9 [0,0,0,1,0,0|3,0,0]=4 7919 B12R1.522 CCSCCN1CCC1C(=O)O 7c9875cfc1477131cd06044631bfd97d [0,0,0,1,0,0|2,0,0]=3 7920 B12R1.522 CCSCCN1CC[C@@H]1C(=O)N aa7fef7c6d691bb6ca8e76ad1207a7f2 [0,0,0,1,0,0|3,0,0]=4 7921 B12R1.522 CCSCCN1CC[C@@H]1C(=O)O 0197532ca1c2e54c182ec950d4dd93f0 [0,0,0,1,0,0|2,0,0]=3 7922 B12R1.522 CCSCCN1CC[C@H]1C(=O)N 8022150591cc84a413ca26f20209c07f [0,0,0,1,0,0|3,0,0]=4 7923 B12R1.522 CCSCCN1CC[C@H]1C(=O)O 7aa2a74638734e7d3eade1aa8346c535 [0,0,0,1,0,0|2,0,0]=3 7924 B12R1.522 COCCCN1CCC1C(=O)N ec9df36347015c9f6c6bc01d3eb257c0 [0,0,0,1,0,0|3,0,0]=4 7925 B12R1.522 COCCCN1CCC1C(=O)O 4c04f77b8c5451a95c46d91468903b32 [0,0,0,1,0,0|2,0,0]=3 7926 B12R1.522 COCCCN1CC[C@@H]1C(=O)N 35fda22e48ce107b9d44fc608e00d127 [0,0,0,1,0,0|3,0,0]=4 7927 B12R1.522 COCCCN1CC[C@@H]1C(=O)O b2c8780de8d91811dd704396951ed7f6 [0,0,0,1,0,0|2,0,0]=3 7928 B12R1.522 COCCCN1CC[C@H]1C(=O)N 80430d4a776f526cfd5c8c018a8b4d5c [0,0,0,1,0,0|3,0,0]=4 7929 B12R1.522 COCCCN1CC[C@H]1C(=O)O fae27c4709f4aa2338fa88c88f9d1972 [0,0,0,1,0,0|2,0,0]=3 7930 B12R1.522 COCCN[C@H]1CC[C@H]1C(=O)O c12e6dcada4763795e6b83db8c78e8f8 [0,0,0,1,0,0|2,0,0]=3 7931 B12R1.522 COCCOC1CCC1C(=O)O a048c04e9d2f47aa68817190aba9469d [0,0,0,1,0,0|2,0,0]=3 7932 B12R1.522 COCCO[C@H]1CC[C@@H]1C(=O)O ca155855363ca8d0ef0039f2495838f8 [0,0,0,1,0,0|2,0,0]=3 7933 B12R1.522 CSCCCN1CCC1C(=O)N ef489b3366a66c1e3116fbb598e2df38 [0,0,0,1,0,0|3,0,0]=4 7934 B12R1.522 CSCCCN1CCC1C(=O)O 78d720cc9ea85ba5a7878fd8a2e5f141 [0,0,0,1,0,0|2,0,0]=3 7935 B12R1.522 CSCCCN1CC[C@@H]1C(=O)N 274fd47e5052d4d2dd9690132a1016b2 [0,0,0,1,0,0|3,0,0]=4 7936 B12R1.522 CSCCCN1CC[C@@H]1C(=O)O a16c0a571512e1b56040961900f0b671 [0,0,0,1,0,0|2,0,0]=3 7937 B12R1.522 CSCCCN1CC[C@H]1C(=O)N 8a452cd53069fa5db322ed2c520cd5e2 [0,0,0,1,0,0|3,0,0]=4 7938 B12R1.522 CSCCCN1CC[C@H]1C(=O)O 5520628f947f5d19d065f54447f27297 [0,0,0,1,0,0|2,0,0]=3 7939 B12R1.522 CSCCN[C@H]1CC[C@H]1C(=O)O 344f9179b37b845d0d2bcce8106dc7b3 [0,0,0,1,0,0|2,0,0]=3 7940 B12R1.522 CSCCOC1CCC1C(=O)O 5e78ae2cd5097cad4841608696774e10 [0,0,0,1,0,0|2,0,0]=3 7941 B12R1.522 CSCCO[C@H]1CC[C@@H]1C(=O)O f5fb043c1cb012864ac76d741f6b2847 [0,0,0,1,0,0|2,0,0]=3 7942 B12R1.522 N#CCCCN1CCC1C(=O)O 913d145949f8b04cd778dd80fb19e6a0 [0,0,0,1,0,0|2,0,1]=4 7943 B12R1.522 N#CCCCN1CC[C@@H]1C(=O)O b04a4992ef6fc1c1363d44b5bd67db13 [0,0,0,1,0,0|2,0,1]=4 7944 B12R1.522 N#CCCCN1CC[C@H]1C(=O)O 0d49b2984dab279ebc6cd2af558161cf [0,0,0,1,0,0|2,0,1]=4 7945 B12R1.522 N#CCCN[C@H]1CC[C@H]1C(=O)O 86b44bcf5f1e3c0bf7915d039e9d9f8d [0,0,0,1,0,0|2,0,1]=4 7946 B12R1.522 N#CCCOC1CCC1C(=O)O f9b93de8aa585931b3c3622935c9bac8 [0,0,0,1,0,0|2,0,1]=4 7947 B12R1.522 N#CCCO[C@H]1CC[C@@H]1C(=O)O c4358257b2a27c60e631a8f900161ff9 [0,0,0,1,0,0|2,0,1]=4 7948 B12R1.522 NC(=O)C1CCN1CCCCF bad2021157a266d442dd0cb4a2d5c291 [0,0,0,1,0,0|3,0,0]=4 7949 B12R1.522 NC(=O)C1CCN1CCCCO fdca3d2202e24715451304434a95937e [0,0,0,1,0,0|3,0,0]=4 7950 B12R1.522 NC(=O)[C@@H]1CCN1CCCCF bb65e5ca2f9ade487f2f95404bc9b961 [0,0,0,1,0,0|3,0,0]=4 7951 B12R1.522 NC(=O)[C@@H]1CCN1CCCCO eb4ae415b52ff710e59b4450c94462f2 [0,0,0,1,0,0|3,0,0]=4 7952 B12R1.522 NC(=O)[C@H]1CCN1CCCCF cc0044507c78a22251bfabc67d13a84d [0,0,0,1,0,0|3,0,0]=4 7953 B12R1.522 NC(=O)[C@H]1CCN1CCCCO e58ad89ad5d542a6080c24a4a1f62530 [0,0,0,1,0,0|3,0,0]=4 7954 B12R1.522 O=C(O)C1CCC1OCCCF 9668454f37ca32411decfbb83b7dda0c [0,0,0,1,0,0|2,0,0]=3 7955 B12R1.522 O=C(O)C1CCC1OCCCS e4f0d54b25093bf3fb79745940ab9378 [0,0,0,1,0,0|2,0,0]=3 7956 B12R1.522 O=C(O)C1CCN1CCCCF 89e2e4c5c505be27958eeadc5d993cd1 [0,0,0,1,0,0|2,0,0]=3 7957 B12R1.522 O=C(O)C1CCN1CCCCO 482d3f8fb7a7c917aa957866b3876ad3 [0,0,0,1,0,0|2,0,0]=3 7958 B12R1.522 O=C(O)[C@@H]1CCN1CCCCF 6ef5e610fd561f0f014bf0006929a210 [0,0,0,1,0,0|2,0,0]=3 7959 B12R1.522 O=C(O)[C@@H]1CCN1CCCCO 9ac3555e2b2757d88e0b495b078945c4 [0,0,0,1,0,0|2,0,0]=3 7960 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCF 6f7ae8a08e2efb1904dc168cce52fc2f [0,0,0,1,0,0|2,0,0]=3 7961 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCO 9608bb605098053f71115b67f26c9564 [0,0,0,1,0,0|2,0,0]=3 7962 B12R1.522 O=C(O)[C@@H]1CC[C@@H]1NCCCS c81802dfd3821a06c84154d7d22acfbe [0,0,0,1,0,0|2,0,0]=3 7963 B12R1.522 O=C(O)[C@H]1CCN1CCCCF 4206b12f34afb79e5af72ab0a04d3c22 [0,0,0,1,0,0|2,0,0]=3 7964 B12R1.522 O=C(O)[C@H]1CCN1CCCCO f342c7366bf2b3cfc66aeea4374d727f [0,0,0,1,0,0|2,0,0]=3 7965 B12R1.522 O=C(O)[C@H]1CC[C@@H]1OCCCF cfc12796cadd44df35cad07ba31d2d46 [0,0,0,1,0,0|2,0,0]=3 7966 B12R1.522 O=C(O)[C@H]1CC[C@@H]1OCCCS c72b48807135e696bf35b8ba04346837 [0,0,0,1,0,0|2,0,0]=3 7967 B12R1.522 O=CCCCN1CCC1C(=O)O d2f1c5be54411d0ab5ac022d82532d3b [0,0,0,1,0,0|2,0,1]=4 7968 B12R1.522 O=CCCCN1CC[C@@H]1C(=O)O 4b699d7a1e00600c68e311ab4076ee3d [0,0,0,1,0,0|2,0,1]=4 7969 B12R1.522 O=CCCCN1CC[C@H]1C(=O)O 4e9a628e8fe14f6785903619d6d6f465 [0,0,0,1,0,0|2,0,1]=4 7970 B12R1.522 O=CCCN[C@H]1CC[C@H]1C(=O)O f011a5a6d6555ff67122eb3f6832eb52 [0,0,0,1,0,0|2,0,1]=4 7971 B12R1.522 O=CCCOC1CCC1C(=O)O f496626680eb8776c2880301c5986763 [0,0,0,1,0,0|2,0,1]=4 7972 B12R1.522 O=CCCO[C@H]1CC[C@@H]1C(=O)O 8ab52c0580ffe2bffb56ae3a75f0fdb4 [0,0,0,1,0,0|2,0,1]=4 7973 B12R1.842 CCCCNCC1CCS1(=O)=O 0eed547a702cc37172401a4532e1db24 [0,0,0,1,0,0|2,0,1]=4 7974 B12R1.842 CCCCOCC1CCS1(=O)=O 014f70e6a1dedf622431bc2e4fca7c12 [0,0,0,1,0,0|2,0,1]=4 7975 B12R1.1335 CC(=O)N1CCCCCCCC1 472bcb41fa3fc1d5d8be9a24287e8823 [0,0,0,1,0,0|2,0,0]=3 7976 B12R1.1343 C=C(Br)CNC1CCCCCC1 c2970cf4f6a21a920fc53ff38ecb19a0 [0,0,0,1,0,0|3,0,0]=4 7977 B12R1.1343 C=C(Br)COC1CCCCCC1 ea2c5ee12e227d65ffad070b7c5b529e [0,0,0,1,0,0|3,0,0]=4 7978 B12R1.1343 C=C(C)CCN1CCCCCC1 b5834cd3f9bced0444538dc9a5d2adff [0,0,0,1,0,0|3,0,0]=4 7979 B12R1.1343 C=C(C)CNC1CCCCCC1 f467465cd42c14c49673722f0509f4ee [0,0,0,1,0,0|3,0,0]=4 7980 B12R1.1343 C=C(C)COC1CCCCCC1 9d6338f86ff00bfafe94f43920542e26 [0,0,0,1,0,0|3,0,0]=4 7981 B12R1.1343 C=C(Cl)CNC1CCCCCC1 6fc03ee6d2e335c34a16260d34d9bf18 [0,0,0,1,0,0|3,0,0]=4 7982 B12R1.1343 C=C(Cl)COC1CCCCCC1 08a222b97fd67e99e092eb1b6fd9e2cb [0,0,0,1,0,0|3,0,0]=4 7983 B12R1.1343 C=C(F)CNC1CCCCCC1 3d01ebb88fcd5e7df3d363aa51e3a393 [0,0,0,1,0,0|3,0,0]=4 7984 B12R1.1343 C=C(F)COC1CCCCCC1 9060702c19fdc9cb9cbac83becd7d662 [0,0,0,1,0,0|3,0,0]=4 7985 B12R1.1343 C=C(I)COC1CCCCCC1 8e3afdf3b32dbde187bef870526baaf8 [0,0,0,1,0,0|3,0,0]=4 7986 B12R1.1343 CC(=O)CCN1CCCCCC1 9db15848eb5a0afe3b5199eaf4f54938 [0,0,0,1,0,0|2,0,0]=3 7987 B12R1.1343 CC(=O)CCN1CCCOCC1 f41db085ec88290b6df8d7c6893e6a71 [0,0,0,1,0,0|3,0,0]=4 7988 B12R1.1343 CC(=O)CNC1CCCCCC1 472d52fc3a3f9e34562900413429031a [0,0,0,1,0,0|2,0,0]=3 7989 B12R1.1343 CC(=O)CNC1CCCOCC1 261025515065cc7d621da93b6aee8b2f [0,0,0,1,0,0|3,0,0]=4 7990 B12R1.1343 CC(=O)COC1CCCCCC1 c5d3f177a64f6ef4de1601b127407ff7 [0,0,0,1,0,0|2,0,0]=3 7991 B12R1.1343 CC(=O)COC1CCCOCC1 726ddce28f082a8227cd35083ebb9f88 [0,0,0,1,0,0|3,0,0]=4 7992 B12R1.1343 CC(=O)NCC1CCCCCC1 6de497aff6b4d44ba8330446be88d57e [0,0,0,1,0,0|2,0,0]=3 7993 B12R1.1343 CC(=O)OCN1CCCCCC1 b7dacc34ea6d8f4612587dfa1ddfa355 [0,0,0,1,0,0|3,0,0]=4 7994 B12R1.1343 CC(O)CCN1CCCCCC1 88e9123459fa44c589502ba38c4aa8b6 [0,0,0,1,0,0|2,0,1]=4 7995 B12R1.1343 CC(O)CNC1CCCCCC1 8f9f0b4e0d70b7efda3f98247703d7b8 [0,0,0,1,0,0|2,0,1]=4 7996 B12R1.1343 CS(=O)CCN1CCCCCC1 3c2cd9ef9db675bf964f39eea6a6df89 [0,0,0,1,0,0|3,0,0]=4 7997 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 ff8e7e104a44ab8afb24c266502f3528 [0,0,0,1,0,0|2,0,1]=4 7998 B12R1.1343 C[C@H](O)CNC1CCCCCC1 0d27f221717ea4c206dfb107e1177348 [0,0,0,1,0,0|2,0,1]=4 7999 B12R1.1343 NC(=O)CCN1CCCCCC1 3f7a6aa665e898b9d19410460d18b97a [0,0,0,1,0,0|2,0,0]=3 8000 B12R1.1343 NC(=O)CCN1CCCOCC1 b2e2e3fc763cfc1439a72555a706469d [0,0,0,1,0,0|3,0,0]=4 8001 B12R1.1343 NC(=O)CNC1CCCCCC1 fe4fd29118c95b23339ad0920f325f8e [0,0,0,1,0,0|2,0,0]=3 8002 B12R1.1343 NC(=O)CNC1CCCOCC1 504550267ff1e1c71a5b768677a6b9e0 [0,0,0,1,0,0|3,0,0]=4 8003 B12R1.1343 NC(=O)COC1CCCCCC1 5c709e941f7fc8de2b169946ceb65020 [0,0,0,1,0,0|2,0,0]=3 8004 B12R1.1343 NC(=O)COC1CCCOCC1 26507495fbfc670eb692146a7f7322cf [0,0,0,1,0,0|3,0,0]=4 8005 B12R1.1343 NC(=O)SCN1CCCCCC1 b19c6a989be384c3309f66f43a40bd11 [0,0,0,1,0,0|3,0,0]=4 8006 B12R1.1343 NC(=S)COC1CCCCCC1 6f480ae1aa9aacb58901dedf1e2dbc67 [0,0,0,1,0,0|2,1,0]=4 8007 B12R1.1343 O=C(O)CCN1CCCCCC1 6ed2e90f731eac4e658979eda5d73780 [0,0,0,1,0,0|1,0,0]=2 8008 B12R1.1343 O=C(O)CCN1CCCOCC1 1e521645a9e9e9d03e8724d1c5a2d916 [0,0,0,1,0,0|2,0,0]=3 8009 B12R1.1343 O=C(O)CNC1CCC=CCC1 2e06e0effe4ffe84eff3aad0c3e00ce7 [0,0,0,1,0,0|1,0,2]=4 8010 B12R1.1343 O=C(O)CNC1CCCCCC1 3682f9e28927883757889fb3d93aede3 [0,0,0,1,0,0|1,0,0]=2 8011 B12R1.1343 O=C(O)CNC1CCCOCC1 7301349f329b6a76287864c7ea1263e3 [0,0,0,1,0,0|2,0,0]=3 8012 B12R1.1343 O=C(O)COC1CCCCCC1 7e5cc9ed47a0c03f4fe7fb85c985896c [0,0,0,1,0,0|1,0,0]=2 8013 B12R1.1343 O=C(O)COC1CCCOCC1 36853b68c5534d0cedbf1cd44ea84435 [0,0,0,1,0,0|2,0,0]=3 8014 B12R1.1343 O=C(O)COC1COCCOC1 13f84a22bb6de11a969b9502ba9edaef [0,0,0,1,0,0|3,0,0]=4 8015 B12R1.1343 O=S(O)COC1CCCCCC1 52ffe6b56378a860f6698bebe15c2a2d [0,0,0,1,0,0|2,0,0]=3 8016 B12R1.1343 O=S(O)COC1CCCOCC1 e4175ea21bb19b218a53619deaf6dae3 [0,0,0,1,0,0|3,0,0]=4 8017 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 b55dda5e4dc927ad19684662e706d5fc [0,0,0,1,0,0|2,0,1]=4 8018 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 9556983a393d99fcc7a3c77ac9ae16d3 [0,0,0,1,0,0|2,0,1]=4 8019 B12R1.1392 C=C(Br)CN1CCCCCCC1 9c4a401caf0b6a770e935f3d06774f63 [0,0,0,1,0,0|3,0,0]=4 8020 B12R1.1392 C=C(C)CN1CCCCCCC1 9d79d9bed91e55fb2fb73288f3a48d32 [0,0,0,1,0,0|3,0,0]=4 8021 B12R1.1392 C=C(Cl)CN1CCCCCCC1 e785b48039ab07888297717f06f3f21c [0,0,0,1,0,0|3,0,0]=4 8022 B12R1.1392 C=C(F)CN1CCCCCCC1 5acb6cbaef21b0fc4078c09717361981 [0,0,0,1,0,0|3,0,0]=4 8023 B12R1.1392 CC(=O)NC1CCCCCCC1 706b4665a4d0397396f67ba93d627708 [0,0,0,1,0,0|2,0,0]=3 8024 B12R1.1392 CC(O)CN1CCCCCCC1 844ad6b1fe1423cf22ee789eaa44b646 [0,0,0,1,0,0|2,0,1]=4 8025 B12R1.1392 C[C@@H](O)CN1CCCCCCC1 ddcedaa286b87f599dcef10fe2700d4d [0,0,0,1,0,0|2,0,1]=4 8026 B12R1.1392 C[C@H](O)CN1CCCCCCC1 45b5fcd2ac9f1ea0f8389f9e0e58d63b [0,0,0,1,0,0|2,0,1]=4 8027 B12R1.1392 NC(=O)CN1CCCCCCC1 05de9741775d2786cf439ae8b2d595ef [0,0,0,1,0,0|2,0,0]=3 8028 B12R1.1392 O=C(O)CN1CCCCCCC1 b947e4536c1423929c78c658665cc4c1 [0,0,0,1,0,0|1,0,0]=2 8029 B12R1.1392 O=[N+]([O-])CN1CCCCCCC1 2ec7eb5a2614cf3b2d9cbfe0a2ac4cee [0,0,0,1,0,0|2,0,1]=4 8030 B12R1.1755 C#CCCCN[C@@H]1C[C@@H]1C(=O)O 08ac206ffd8430632b14c5b5f2cedc03 [0,0,0,1,0,0|1,0,2]=4 8031 B12R1.1755 C#CCCCN[C@H]1C[C@@H]1C(=O)O a629e1af881558bdea681ed9bb511dff [0,0,0,1,0,0|1,0,2]=4 8032 B12R1.1755 C#CCCCN[C@H]1C[C@H]1C(=O)O d220c4d63cfc61abf857b99c384dc1fa [0,0,0,1,0,0|1,0,2]=4 8033 B12R1.1755 C#CCCCO[C@@H]1C[C@@H]1C(=O)O b246829e675aec4139c397f1a8d3ff05 [0,0,0,1,0,0|1,0,2]=4 8034 B12R1.1755 C#CCCCO[C@H]1C[C@@H]1C(=O)O 5a8bd2001b65f1c8454ae750f7a5059f [0,0,0,1,0,0|1,0,2]=4 8035 B12R1.1755 C#CCCCO[C@H]1C[C@H]1C(=O)O dc13719dd05eac105f3511f4789456b2 [0,0,0,1,0,0|1,0,2]=4 8036 B12R1.1755 C#CCCNCC1CC1C(=O)O 5f666d354ce1a54b21cf73cffa25a577 [0,0,0,1,0,0|1,0,2]=4 8037 B12R1.1755 C#CCCNC[C@@H]1C[C@H]1C(=O)O 54903ed4051a59703d984d6fcae7a2f6 [0,0,0,1,0,0|1,0,2]=4 8038 B12R1.1755 C#CCCOCC1CC1C(=O)O 5f28aa85fb339d98a08b9e70c6f9b96d [0,0,0,1,0,0|1,0,2]=4 8039 B12R1.1755 C#CCCOC[C@@H]1C[C@H]1C(=O)O 65b29898533df1ef25049205a0f68fbd [0,0,0,1,0,0|1,0,2]=4 8040 B12R1.1755 C#CCCOC[C@H]1C[C@@H]1C(=O)O 34eee01b40dd7ab00b58af4ca26fc15f [0,0,0,1,0,0|1,0,2]=4 8041 B12R1.1755 C#CCCOC[C@H]1C[C@H]1C(=O)O 570113f2199658af60be68654e2c1964 [0,0,0,1,0,0|1,0,2]=4 8042 B12R1.1755 C/C=C/CCO[C@@H]1C[C@@H]1C(=O)O 919d0d0b49ee02ae723717fe2b1ead53 [0,0,0,1,0,0|1,0,2]=4 8043 B12R1.1755 C/C=C/CCO[C@H]1C[C@@H]1C(=O)O 24e3ecd205a5683030ae4d97e293af10 [0,0,0,1,0,0|1,0,2]=4 8044 B12R1.1755 C/C=C/CCO[C@H]1C[C@H]1C(=O)O 2f5cb87e5870ae93608851468eb432ea [0,0,0,1,0,0|1,0,2]=4 8045 B12R1.1755 C/C=C/CNC[C@@H]1C[C@H]1C(=O)O b3220304c1e36156ace09f2ba4cd29e2 [0,0,0,1,0,0|1,0,2]=4 8046 B12R1.1755 C/C=C/COCC1CC1C(=O)O cced6d1e8802260c6a73cd18b675f3b1 [0,0,0,1,0,0|1,0,2]=4 8047 B12R1.1755 C/C=C/COC[C@@H]1C[C@H]1C(=O)O e4625a367bd55b98f9d2d5552b985404 [0,0,0,1,0,0|1,0,2]=4 8048 B12R1.1755 C/C=C/COC[C@H]1C[C@@H]1C(=O)O 9f45dac1db426ad9832c066732966344 [0,0,0,1,0,0|1,0,2]=4 8049 B12R1.1755 C/C=C/COC[C@H]1C[C@H]1C(=O)O 9385ad8cde8092f1d4f8a19977289c89 [0,0,0,1,0,0|1,0,2]=4 8050 B12R1.1755 C/C=C\CNC[C@@H]1C[C@H]1C(=O)O df1cba9cad5a9d42d68ed42c3acf1c56 [0,0,0,1,0,0|1,0,2]=4 8051 B12R1.1755 C/C=C\COCC1CC1C(=O)O fdd13d9477783aada04338d48ddb86e5 [0,0,0,1,0,0|1,0,2]=4 8052 B12R1.1755 C/C=C\COC[C@@H]1C[C@H]1C(=O)O dbdd7275fee809479e4d2e7b7f04f794 [0,0,0,1,0,0|1,0,2]=4 8053 B12R1.1755 C/C=C\COC[C@H]1C[C@@H]1C(=O)O 8ae77fb7d3942657d9a9f223ea8c7fee [0,0,0,1,0,0|1,0,2]=4 8054 B12R1.1755 C/C=C\COC[C@H]1C[C@H]1C(=O)O 0baf289e70da77aca1a25406f6098c94 [0,0,0,1,0,0|1,0,2]=4 8055 B12R1.1755 C=CCCCN[C@@H]1C[C@@H]1C(=O)O 96137732ce417876b5b349444f2265cc [0,0,0,1,0,0|1,0,2]=4 8056 B12R1.1755 C=CCCCN[C@H]1C[C@@H]1C(=O)O eb4c5aded294ddfd6f823d15270e816b [0,0,0,1,0,0|1,0,2]=4 8057 B12R1.1755 C=CCCCN[C@H]1C[C@H]1C(=O)O fe6fad41791b5724e7511f70ab6d8029 [0,0,0,1,0,0|1,0,2]=4 8058 B12R1.1755 C=CCCCO[C@@H]1C[C@@H]1C(=O)O 3a6b48925448328c961811b18a6f1a57 [0,0,0,1,0,0|1,0,2]=4 8059 B12R1.1755 C=CCCCO[C@H]1C[C@@H]1C(=O)O 01e704060cc5204a68477dd314afc042 [0,0,0,1,0,0|1,0,2]=4 8060 B12R1.1755 C=CCCCO[C@H]1C[C@H]1C(=O)O 141ecc67ece34a0c7c3ac159423782d8 [0,0,0,1,0,0|1,0,2]=4 8061 B12R1.1755 C=CCCNCC1CC1C(=O)O dce29f4b7af42f26aee43edb02e8ca72 [0,0,0,1,0,0|1,0,2]=4 8062 B12R1.1755 C=CCCNC[C@@H]1C[C@H]1C(=O)O 152889971736750c8ae983190a047e1e [0,0,0,1,0,0|1,0,2]=4 8063 B12R1.1755 C=CCCOCC1CC1C(=O)O 08e09e2fe9be8246f25c0e7bbcb6ec69 [0,0,0,1,0,0|1,0,2]=4 8064 B12R1.1755 C=CCCOC[C@@H]1C[C@H]1C(=O)O ce89d95e7509a79d39a3ed7b3df81a5a [0,0,0,1,0,0|1,0,2]=4 8065 B12R1.1755 C=CCCOC[C@H]1C[C@@H]1C(=O)O fa709b7d737b998623bff4cd335f1bbf [0,0,0,1,0,0|1,0,2]=4 8066 B12R1.1755 C=CCCOC[C@H]1C[C@H]1C(=O)O 37e5000709cd3c4dcd6632ee4060526a [0,0,0,1,0,0|1,0,2]=4 8067 B12R1.1755 CC#CCCO[C@@H]1C[C@@H]1C(=O)O de85da05cf852e06180985dccab5819a [0,0,0,1,0,0|1,0,2]=4 8068 B12R1.1755 CC#CCCO[C@H]1C[C@@H]1C(=O)O 9c40dcf725423640de1aa8ebbf677a2d [0,0,0,1,0,0|1,0,2]=4 8069 B12R1.1755 CC#CCCO[C@H]1C[C@H]1C(=O)O f0179eed281953b23bd4a784e06c8cb8 [0,0,0,1,0,0|1,0,2]=4 8070 B12R1.1755 CC#CCNCC1CC1C(=O)O 9a6466a5037db3d571b703c69bdb4b50 [0,0,0,1,0,0|1,0,2]=4 8071 B12R1.1755 CC#CCNC[C@@H]1C[C@H]1C(=O)O 622bd28ce66658dccacec7e68be4d64a [0,0,0,1,0,0|1,0,2]=4 8072 B12R1.1755 CC#CCOCC1CC1C(=O)O edc69978391a8663386cc7e94a0b94ac [0,0,0,1,0,0|1,0,2]=4 8073 B12R1.1755 CC#CCOC[C@@H]1C[C@H]1C(=O)O 9d757072abb31b09c21ff57287d41e7c [0,0,0,1,0,0|1,0,2]=4 8074 B12R1.1755 CC/C=C/CO[C@@H]1C[C@@H]1C(=O)O ab252b2e9b0461dbd762e29af7461c21 [0,0,0,1,0,0|1,0,2]=4 8075 B12R1.1755 CC/C=C/CO[C@H]1C[C@@H]1C(=O)O 3e5af4bb5d20ee3fa518f99bfd104b4b [0,0,0,1,0,0|1,0,2]=4 8076 B12R1.1755 CC/C=C/CO[C@H]1C[C@H]1C(=O)O 8210a72a99cdf61527254ec0e2353e0f [0,0,0,1,0,0|1,0,2]=4 8077 B12R1.1755 CC/C=C\CO[C@@H]1C[C@@H]1C(=O)O 221360588fb5f6d614c0197ce25af043 [0,0,0,1,0,0|1,0,2]=4 8078 B12R1.1755 CC/C=C\CO[C@H]1C[C@@H]1C(=O)O 083e4067d21a958d779d33b8e829bb9d [0,0,0,1,0,0|1,0,2]=4 8079 B12R1.1755 CC/C=C\CO[C@H]1C[C@H]1C(=O)O 7f6dabe8d9fbe426ed8bd5dfd9ca2f2a [0,0,0,1,0,0|1,0,2]=4 8080 B12R1.1755 CC=CCNCC1CC1C(=O)O 56bd7600d3a2eed83a7a186f1cf75084 [0,0,0,1,0,0|1,0,2]=4 8081 B12R1.1755 CC=CCNC[C@@H]1C[C@H]1C(=O)O aa5508b38d4c108b95ae00cafb963db4 [0,0,0,1,0,0|1,0,2]=4 8082 B12R1.1755 CC=CCOCC1CC1C(=O)O 67fde6d13201c71e51e179372b8bf1ca [0,0,0,1,0,0|1,0,2]=4 8083 B12R1.1755 CC=CCOC[C@@H]1C[C@H]1C(=O)O 740c9bad20cad5651e37bbf7700a267b [0,0,0,1,0,0|1,0,2]=4 8084 B12R1.1755 CCC#CCO[C@@H]1C[C@@H]1C(=O)O a8acf4a55691604e25468f42249f197b [0,0,0,1,0,0|1,0,2]=4 8085 B12R1.1755 CCC#CCO[C@H]1C[C@@H]1C(=O)O 76a1d89796c22d0ea3ee6af28f585051 [0,0,0,1,0,0|1,0,2]=4 8086 B12R1.1755 CCC#CCO[C@H]1C[C@H]1C(=O)O 1b7ccb3571f01b40ea817315f4d5419f [0,0,0,1,0,0|1,0,2]=4 8087 B12R1.1755 CCCCCN[C@@H]1C[C@@H]1C(=O)O dc7a208490e75010e46b3e231a3c362e [0,0,0,1,0,0|1,0,0]=2 8088 B12R1.1755 CCCCCN[C@H]1C[C@@H]1C(=O)O aee5fbd6b6032990369b006524f546be [0,0,0,1,0,0|1,0,0]=2 8089 B12R1.1755 CCCCCN[C@H]1C[C@H]1C(=O)O d63ff5065e1e05c318a77db19eca620a [0,0,0,1,0,0|1,0,0]=2 8090 B12R1.1755 CCCCCO[C@@H]1C[C@@H]1C(=O)O 0de3b40982f4bf69442cd8f4f5d3369c [0,0,0,1,0,0|1,0,0]=2 8091 B12R1.1755 CCCCCO[C@H]1C[C@@H]1C(=O)O a35a1e2087a6e5cd445b48ca19572c22 [0,0,0,1,0,0|1,0,0]=2 8092 B12R1.1755 CCCCCO[C@H]1C[C@H]1C(=O)O ac5e67675507d1b46d847e01c497f0b1 [0,0,0,1,0,0|1,0,0]=2 8093 B12R1.1755 CCCCNCC1CC1C(=O)O 54459448b6659e20c9715d1a25cea263 [0,0,0,1,0,0|1,0,0]=2 8094 B12R1.1755 CCCCNC[C@@H]1C[C@H]1C(=O)O 724c370bbd468c0a2cdb3f6046b9bb3b [0,0,0,1,0,0|1,0,0]=2 8095 B12R1.1755 CCCCOCC1CC1C(=O)O 1540be510903897b88d1579006ee0d5a [0,0,0,1,0,0|1,0,0]=2 8096 B12R1.1755 CCCCOC[C@@H]1C[C@H]1C(=O)O 636afe16e837ecf8e8261d29f171be53 [0,0,0,1,0,0|1,0,0]=2 8097 B12R1.1755 CCCCOC[C@H]1C[C@@H]1C(=O)O fff6cd54ae73d4eec9d728a0fd3fb6e7 [0,0,0,1,0,0|1,0,0]=2 8098 B12R1.1755 CCCCOC[C@H]1C[C@H]1C(=O)O 5827add97c6eb51837ecdbdf511fc88f [0,0,0,1,0,0|1,0,0]=2 8099 B12R1.1755 CCOCCN[C@@H]1C[C@@H]1C(=O)O 1a6e5ea52500a630f7b6858ee468fdb3 [0,0,0,1,0,0|2,0,0]=3 8100 B12R1.1755 CCOCCN[C@H]1C[C@@H]1C(=O)O e521b8118a319551704d16536273a1d5 [0,0,0,1,0,0|2,0,0]=3 8101 B12R1.1755 CCOCCN[C@H]1C[C@H]1C(=O)O 6712a505a63af99f9ef0d6503b72cd5c [0,0,0,1,0,0|2,0,0]=3 8102 B12R1.1755 CCOCCO[C@@H]1C[C@@H]1C(=O)O 5e7d6b18b6f97e09ba7ed06f69e0096f [0,0,0,1,0,0|2,0,0]=3 8103 B12R1.1755 CCOCCO[C@H]1C[C@@H]1C(=O)O 20358dfc02d07330a01696ba07960b92 [0,0,0,1,0,0|2,0,0]=3 8104 B12R1.1755 CCOCCO[C@H]1C[C@H]1C(=O)O 648140b59430cfc5956905428124de8c [0,0,0,1,0,0|2,0,0]=3 8105 B12R1.1755 CCOCNC[C@@H]1C[C@H]1C(=O)O 8e84b35397c78954d530af381353e615 [0,0,0,1,0,0|2,0,0]=3 8106 B12R1.1755 CCOCOCC1CC1C(=O)O 610039878b71ddc0021c917f516ed1e6 [0,0,0,1,0,0|2,0,0]=3 8107 B12R1.1755 CCOCOC[C@@H]1C[C@H]1C(=O)O 9a5cdb92a57aa856f42db3098f9dd9ef [0,0,0,1,0,0|2,0,0]=3 8108 B12R1.1755 CCOCOC[C@H]1C[C@@H]1C(=O)O 8f9c7179c435e621514488d1f6997552 [0,0,0,1,0,0|2,0,0]=3 8109 B12R1.1755 CCOCOC[C@H]1C[C@H]1C(=O)O b75f4801d1519ca53c317fec173956dc [0,0,0,1,0,0|2,0,0]=3 8110 B12R1.1755 CCSCCN[C@@H]1C[C@@H]1C(=O)O f35cb6c87f3643ea37d40494d604cd2e [0,0,0,1,0,0|2,0,0]=3 8111 B12R1.1755 CCSCCN[C@H]1C[C@@H]1C(=O)O 3c035f72dec3546c640c55bb6a3ea6dc [0,0,0,1,0,0|2,0,0]=3 8112 B12R1.1755 CCSCCN[C@H]1C[C@H]1C(=O)O 802a7fd95183fd188af578cd783107c3 [0,0,0,1,0,0|2,0,0]=3 8113 B12R1.1755 CCSCCO[C@@H]1C[C@@H]1C(=O)O fc0ab2f31538a1e71c863e57dd7db2aa [0,0,0,1,0,0|2,0,0]=3 8114 B12R1.1755 CCSCCO[C@H]1C[C@@H]1C(=O)O 89003f202baa9bfc9f47999a31c09996 [0,0,0,1,0,0|2,0,0]=3 8115 B12R1.1755 CCSCCO[C@H]1C[C@H]1C(=O)O 8b13d9ae4728cab7e16c6599aadf7df3 [0,0,0,1,0,0|2,0,0]=3 8116 B12R1.1755 COCCCN[C@@H]1C[C@@H]1C(=O)O 314f4f854ece1d6f9d60bd8a85e2fab4 [0,0,0,1,0,0|2,0,0]=3 8117 B12R1.1755 COCCCN[C@H]1C[C@@H]1C(=O)O a19ccab3d328b9a8c7eb4076b16081e7 [0,0,0,1,0,0|2,0,0]=3 8118 B12R1.1755 COCCCN[C@H]1C[C@H]1C(=O)O 2fc814e81c9631697ee7ab0e02fbf6b3 [0,0,0,1,0,0|2,0,0]=3 8119 B12R1.1755 COCCCO[C@@H]1C[C@@H]1C(=O)O 6009b1eb759a0eae5dca34c895c55ad4 [0,0,0,1,0,0|2,0,0]=3 8120 B12R1.1755 COCCCO[C@H]1C[C@@H]1C(=O)O 69334578e146dec1dd3ff7d31d6220a8 [0,0,0,1,0,0|2,0,0]=3 8121 B12R1.1755 COCCCO[C@H]1C[C@H]1C(=O)O 89a2afed3e51e1cbf6b960bf23dba3b5 [0,0,0,1,0,0|2,0,0]=3 8122 B12R1.1755 COCCNCC1CC1C(=O)O e40b42a80b578a9b2e41b61f99bffdaf [0,0,0,1,0,0|2,0,0]=3 8123 B12R1.1755 COCCNC[C@@H]1C[C@H]1C(=O)O 60b4a6f43cd33fe4088dda0682a95b3c [0,0,0,1,0,0|2,0,0]=3 8124 B12R1.1755 COCCOCC1CC1C(=O)O 586342ba992600b18e9baa2f4264ae9d [0,0,0,1,0,0|2,0,0]=3 8125 B12R1.1755 COCCOC[C@@H]1C[C@H]1C(=O)O e411dbbae3388a2033b4619c86c0dadd [0,0,0,1,0,0|2,0,0]=3 8126 B12R1.1755 COCCOC[C@H]1C[C@@H]1C(=O)O 644c31e23936d4fe281a297e09097dd3 [0,0,0,1,0,0|2,0,0]=3 8127 B12R1.1755 COCCOC[C@H]1C[C@H]1C(=O)O 85b644a30ffa6baaca8374d5da3b6767 [0,0,0,1,0,0|2,0,0]=3 8128 B12R1.1755 CSCCCN[C@@H]1C[C@@H]1C(=O)O 766ccbf56c879169973080185e6af941 [0,0,0,1,0,0|2,0,0]=3 8129 B12R1.1755 CSCCCN[C@H]1C[C@@H]1C(=O)O 33c28b7dc321aace36abd287f82e3057 [0,0,0,1,0,0|2,0,0]=3 8130 B12R1.1755 CSCCCN[C@H]1C[C@H]1C(=O)O c67296880a98ecf92d2e09140c9ec624 [0,0,0,1,0,0|2,0,0]=3 8131 B12R1.1755 CSCCCO[C@@H]1C[C@@H]1C(=O)O e7d8b0bfc150be2af60c374772ae2406 [0,0,0,1,0,0|2,0,0]=3 8132 B12R1.1755 CSCCCO[C@H]1C[C@@H]1C(=O)O 66263885c33b72ca65c76ab279b40be1 [0,0,0,1,0,0|2,0,0]=3 8133 B12R1.1755 CSCCCO[C@H]1C[C@H]1C(=O)O a28db2134774264fad43c0451a7d3a0f [0,0,0,1,0,0|2,0,0]=3 8134 B12R1.1755 CSCCNCC1CC1C(=O)O 4230753b5e36bc3777400bf1809aa5c4 [0,0,0,1,0,0|2,0,0]=3 8135 B12R1.1755 CSCCNC[C@@H]1C[C@H]1C(=O)O c7801a9f487ac036ea509d6790bb430b [0,0,0,1,0,0|2,0,0]=3 8136 B12R1.1755 CSCCOCC1CC1C(=O)O 6d9b3fd206a13950f5a944c02ae0dad8 [0,0,0,1,0,0|2,0,0]=3 8137 B12R1.1755 CSCCOC[C@@H]1C[C@H]1C(=O)O c6a103a07bbe2cfcb44251ee2af2c565 [0,0,0,1,0,0|2,0,0]=3 8138 B12R1.1755 CSCCOC[C@H]1C[C@@H]1C(=O)O 55861ec51c40dafe1cc5e22a7bb8f999 [0,0,0,1,0,0|2,0,0]=3 8139 B12R1.1755 CSCCOC[C@H]1C[C@H]1C(=O)O 2d046a5104e10e694cf43d28f637140c [0,0,0,1,0,0|2,0,0]=3 8140 B12R1.1755 N#CCCCN[C@@H]1C[C@@H]1C(=O)O c2364099e20164b4977b0d11c934c6fd [0,0,0,1,0,0|2,0,1]=4 8141 B12R1.1755 N#CCCCN[C@H]1C[C@@H]1C(=O)O 5394c4736f3f81ce9daa341b5efb5688 [0,0,0,1,0,0|2,0,1]=4 8142 B12R1.1755 N#CCCCN[C@H]1C[C@H]1C(=O)O e736b23570ff3c8af37a622ca9044a36 [0,0,0,1,0,0|2,0,1]=4 8143 B12R1.1755 N#CCCCO[C@@H]1C[C@@H]1C(=O)O efc66c67ca4c2cfa5900ab8e2e163bf4 [0,0,0,1,0,0|2,0,1]=4 8144 B12R1.1755 N#CCCCO[C@H]1C[C@@H]1C(=O)O 94410b9ea86c1e5b44dad0341a514803 [0,0,0,1,0,0|2,0,1]=4 8145 B12R1.1755 N#CCCCO[C@H]1C[C@H]1C(=O)O 3d0f21a3de18e1beb2c52a11ff9869be [0,0,0,1,0,0|2,0,1]=4 8146 B12R1.1755 N#CCCNCC1CC1C(=O)O 0740d0a4182b1263f4202829b1cdffd2 [0,0,0,1,0,0|2,0,1]=4 8147 B12R1.1755 N#CCCNC[C@@H]1C[C@H]1C(=O)O 95b2158683848c201da5a0b4d6afc7a5 [0,0,0,1,0,0|2,0,1]=4 8148 B12R1.1755 N#CCCOCC1CC1C(=O)O 18644544c814d5ec64b73dcbd5e35473 [0,0,0,1,0,0|2,0,1]=4 8149 B12R1.1755 N#CCCOC[C@@H]1C[C@H]1C(=O)O 4176bb87f1c5af27f59cc679aa4e7bea [0,0,0,1,0,0|2,0,1]=4 8150 B12R1.1755 N#CCCOC[C@H]1C[C@@H]1C(=O)O 7f874e94aabd9a036fa441581e9c4355 [0,0,0,1,0,0|2,0,1]=4 8151 B12R1.1755 N#CCCOC[C@H]1C[C@H]1C(=O)O 38223e73f4258029c14514f5b299331e [0,0,0,1,0,0|2,0,1]=4 8152 B12R1.1755 NOCCNCC1CC1C(=O)O 68ae8553fd0badbff345273bb55d038a [0,0,0,1,0,0|3,0,0]=4 8153 B12R1.1755 NOCCNC[C@@H]1C[C@H]1C(=O)O c5a7aab5c518608d76e5381161417791 [0,0,0,1,0,0|3,0,0]=4 8154 B12R1.1755 O=C(O)C1CC1CNCCCCl ddc6ec5d1930512dc4403a68da29709b [0,0,0,1,0,0|2,0,0]=3 8155 B12R1.1755 O=C(O)C1CC1CNCCCO d770801456a8cc956086b2de1eaf7023 [0,0,0,1,0,0|2,0,0]=3 8156 B12R1.1755 O=C(O)C1CC1COCCCF 3f1fa94c93f8f14653d660c6cca3fdb4 [0,0,0,1,0,0|2,0,0]=3 8157 B12R1.1755 O=C(O)C1CC1COCCCS 32f6dd4b641aba10a64bc85b69291c2d [0,0,0,1,0,0|2,0,0]=3 8158 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1COCCCF 6e3f3968b2cc86063af9186a14f48049 [0,0,0,1,0,0|2,0,0]=3 8159 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1COCCCS c01c7fce5843b23da4db20d91c294fef [0,0,0,1,0,0|2,0,0]=3 8160 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCCl b37ec30697e0b77c8748073cc7929068 [0,0,0,1,0,0|2,0,0]=3 8161 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCO 04d4470e8a4ee24c1665df4dc4263960 [0,0,0,1,0,0|2,0,0]=3 8162 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1NCCCCS 73a8b70f79e1051a90b850a876b4b662 [0,0,0,1,0,0|2,0,0]=3 8163 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1OCCCCF 64a4c9496bf58e6dd2d313c13da085c8 [0,0,0,1,0,0|2,0,0]=3 8164 B12R1.1755 O=C(O)[C@@H]1C[C@@H]1OCCCCS da5980cd2fcd7fcda812c5863e762ae5 [0,0,0,1,0,0|2,0,0]=3 8165 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCCl d14b6baa6a06833fd2715b5a9e283480 [0,0,0,1,0,0|2,0,0]=3 8166 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCF 3de37d168bbc96c3acdfa18a09208113 [0,0,0,1,0,0|2,0,0]=3 8167 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCO 891d7693caf3f5d67c8529b43acbd089 [0,0,0,1,0,0|2,0,0]=3 8168 B12R1.1755 O=C(O)[C@@H]1C[C@H]1CNCCCS 04222541b455f164f6c56027a9b0f443 [0,0,0,1,0,0|2,0,0]=3 8169 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COCCCF 2779992c845f673e08c50991d3d6b922 [0,0,0,1,0,0|2,0,0]=3 8170 B12R1.1755 O=C(O)[C@@H]1C[C@H]1COCCCS 53e245385493eaccf979dfcf18edc465 [0,0,0,1,0,0|2,0,0]=3 8171 B12R1.1755 O=C(O)[C@H]1C[C@@H]1COCCCF ae859ce229c4a601a7b8d3065677ad59 [0,0,0,1,0,0|2,0,0]=3 8172 B12R1.1755 O=C(O)[C@H]1C[C@@H]1COCCCS f2eb795fb98d0ef6425ffaa7e9f4a96c [0,0,0,1,0,0|2,0,0]=3 8173 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCCl 79637e755a99660fb3f73381bd25efc7 [0,0,0,1,0,0|2,0,0]=3 8174 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCO 5669d1df690c3f584d4b5aa4b04c7627 [0,0,0,1,0,0|2,0,0]=3 8175 B12R1.1755 O=C(O)[C@H]1C[C@@H]1NCCCCS 90fba41661eb256f4b90b86dad8c2129 [0,0,0,1,0,0|2,0,0]=3 8176 B12R1.1755 O=C(O)[C@H]1C[C@@H]1OCCCCF 5fe317f37e72909bd066abaa1b6bde2f [0,0,0,1,0,0|2,0,0]=3 8177 B12R1.1755 O=C(O)[C@H]1C[C@@H]1OCCCCS 535f9cc95df0007ee0bce6294d9bacac [0,0,0,1,0,0|2,0,0]=3 8178 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCCl 4599adb3e0eb0defdc976d00af0b7db2 [0,0,0,1,0,0|2,0,0]=3 8179 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCO 45c339ac8ddbbd52e3c208a3ca70d9d3 [0,0,0,1,0,0|2,0,0]=3 8180 B12R1.1755 O=C(O)[C@H]1C[C@H]1NCCCCS 37baa51139bc15477e73dec08820c2bb [0,0,0,1,0,0|2,0,0]=3 8181 B12R1.1755 O=C(O)[C@H]1C[C@H]1OCCCCF a10d40a0772d2cad7b6d1a99442331b8 [0,0,0,1,0,0|2,0,0]=3 8182 B12R1.1755 O=C(O)[C@H]1C[C@H]1OCCCCS bbaff85c84bab3149bf0e991dd9efa32 [0,0,0,1,0,0|2,0,0]=3 8183 B12R1.1755 O=CCCCO[C@@H]1C[C@@H]1C(=O)O 396ffd56187941954f5cce8d8e9ec1a8 [0,0,0,1,0,0|2,0,1]=4 8184 B12R1.1755 O=CCCCO[C@H]1C[C@@H]1C(=O)O 67407d060f9427513bb2d8c63332d585 [0,0,0,1,0,0|2,0,1]=4 8185 B12R1.1755 O=CCCCO[C@H]1C[C@H]1C(=O)O 07b75d32f41f6c0ec87b72bd0aff6509 [0,0,0,1,0,0|2,0,1]=4 8186 B12R1.1755 O=CCCNC[C@@H]1C[C@H]1C(=O)O c177986fd9248672e217c51cfa1c0e67 [0,0,0,1,0,0|2,0,1]=4 8187 B12R1.1755 O=CCCOCC1CC1C(=O)O 7371c007915727c58d2a0bd1c73635cc [0,0,0,1,0,0|2,0,1]=4 8188 B12R1.1755 O=CCCOC[C@@H]1C[C@H]1C(=O)O 2dc00a6e44c45e9d4197a4d99d59a51d [0,0,0,1,0,0|2,0,1]=4 8189 B12R1.1755 O=CCCOC[C@H]1C[C@@H]1C(=O)O 12eca9632935bdace8c6de07adc4c3d7 [0,0,0,1,0,0|2,0,1]=4 8190 B12R1.1755 O=CCCOC[C@H]1C[C@H]1C(=O)O bf7ea1d301f77452f3ac068bb0305b18 [0,0,0,1,0,0|2,0,1]=4 8191 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [2,0,0,0,0,0|2,0,0]=4 8192 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [2,0,0,0,0,0|2,0,0]=4 8193 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [2,0,0,0,0,0|2,0,0]=4 8194 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [2,0,0,0,0,0|1,0,0]=3 8195 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [2,0,0,0,0,0|2,0,0]=4 8196 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [2,0,0,0,0,0|2,0,0]=4 8197 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [2,0,0,0,0,0|1,0,0]=3 8198 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [2,0,0,0,0,0|2,0,0]=4 8199 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [2,0,0,0,0,0|2,0,0]=4 8200 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [2,0,0,0,0,0|2,0,0]=4 8201 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [2,0,0,0,0,0|1,0,0]=3 8202 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [2,0,0,0,0,0|2,0,0]=4 8203 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [2,0,0,0,0,0|2,0,0]=4 8204 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [2,0,0,0,0,0|2,0,0]=4 8205 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [2,0,0,0,0,0|1,0,0]=3 8206 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [2,0,0,0,0,0|2,0,0]=4 8207 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [2,0,0,0,0,0|2,0,0]=4 8208 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [2,0,0,0,0,0|1,0,0]=3 8209 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [2,0,0,0,0,0|2,0,0]=4 8210 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [2,0,0,0,0,0|2,0,0]=4 8211 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [2,0,0,0,0,0|1,0,0]=3 8212 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [2,0,0,0,0,0|2,0,0]=4 8213 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [2,0,0,0,0,0|1,0,0]=3 8214 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [2,0,0,0,0,0|2,0,0]=4 8215 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [2,0,0,0,0,0|2,0,0]=4 8216 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [2,0,0,0,0,0|2,0,0]=4 8217 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [2,0,0,0,0,0|2,0,0]=4 8218 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [2,0,0,0,0,0|1,0,0]=3 8219 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [2,0,0,0,0,0|2,0,0]=4 8220 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [2,0,0,0,0,0|2,0,0]=4 8221 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [2,0,0,0,0,0|2,0,0]=4 8222 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [2,0,0,0,0,0|2,0,0]=4 8223 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [2,0,0,0,0,0|2,0,0]=4 8224 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [2,0,0,0,0,0|2,0,0]=4 8225 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [2,0,0,0,0,0|2,0,0]=4 8226 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [2,0,0,0,0,0|2,0,0]=4 8227 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [2,0,0,0,0,0|2,0,0]=4 8228 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [2,0,0,0,0,0|2,0,0]=4 8229 B9R0.2 COCNCCCC(=O)O 64bd770f694cab9d693114f7ad1b17c7 [2,0,0,0,0,0|2,0,0]=4 8230 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [2,0,0,0,0,0|2,0,0]=4 8231 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [2,0,0,0,0,0|2,0,0]=4 8232 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [2,0,0,0,0,0|2,0,0]=4 8233 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [2,0,0,0,0,0|2,0,0]=4 8234 B9R0.2 CSCNCCCC(=O)O 7eae2fdc26b7518d89f6059c70e462f4 [2,0,0,0,0,0|2,0,0]=4 8235 B9R0.2 O=C(O)CCCCNCF f1da66cc537567fc1409c1b8a001e59a [2,0,0,0,0,0|2,0,0]=4 8236 B9R0.2 O=C(O)CCCCNCO a429407eaab02fb376aa947f0797c09f [2,0,0,0,0,0|2,0,0]=4 8237 B9R0.2 O=C(O)CCCCOCF 272aa66e75d0e45407420628e364d2e7 [2,0,0,0,0,0|2,0,0]=4 8238 B9R0.2 O=C(O)CCCNCCF 0ab78b72bdcdd94b4fcf99e3ac56449a [2,0,0,0,0,0|2,0,0]=4 8239 B9R0.2 O=C(O)CCCNCCI 7033442a1b0a8ae6af132618bc1c6df8 [2,0,0,0,0,0|2,0,0]=4 8240 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [2,0,0,0,0,0|2,0,0]=4 8241 B9R0.2 O=C(O)CCCNCCS ec86078ea056d643545478c3e7a92429 [2,0,0,0,0,0|2,0,0]=4 8242 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [2,0,0,0,0,0|2,0,0]=4 8243 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [2,0,0,0,0,0|2,0,0]=4 8244 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [2,0,0,0,0,0|2,0,0]=4 8245 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [2,0,0,0,0,0|2,0,0]=4 8246 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [2,0,0,0,0,0|2,0,0]=4 8247 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [2,0,0,0,0,0|2,0,0]=4 8248 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [2,0,0,0,0,0|2,0,0]=4 8249 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [2,0,0,0,0,0|2,0,0]=4 8250 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [2,0,0,0,0,0|2,0,0]=4 8251 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [2,0,0,0,0,0|2,0,0]=4 8252 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [2,0,0,0,0,0|2,0,0]=4 8253 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [2,0,0,0,0,0|2,0,0]=4 8254 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [2,0,0,0,0,0|2,0,0]=4 8255 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [2,0,0,0,0,0|1,0,1]=4 8256 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [2,0,0,0,0,0|1,0,1]=4 8257 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [2,0,0,0,0,0|1,0,1]=4 8258 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [2,0,0,0,0,0|1,0,1]=4 8259 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [2,0,0,0,0,0|1,0,1]=4 8260 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [2,0,0,0,0,0|1,0,1]=4 8261 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [2,0,0,0,0,0|1,0,1]=4 8262 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [2,0,0,0,0,0|1,0,1]=4 8263 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [2,0,0,0,0,0|1,0,1]=4 8264 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [2,0,0,0,0,0|1,0,1]=4 8265 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [2,0,0,0,0,0|1,0,0]=3 8266 B9R0.45 CCCCCCCNCC 31fa4e94f188453162c86e218e83a3fe [2,0,0,0,0,0|1,0,1]=4 8267 B9R0.45 CCCCCCCNCF 39b29e109b290c792595feab642af08e [2,0,0,0,0,0|2,0,0]=4 8268 B9R0.45 CCCCCCCNCO 7598d2cec5f82b679ede94b43530bd89 [2,0,0,0,0,0|1,0,0]=3 8269 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [2,0,0,0,0,0|1,0,1]=4 8270 B9R0.45 CCCCCCCOCF 34dddba0abdfe53e071e6123614e32ad [2,0,0,0,0,0|2,0,0]=4 8271 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [2,0,0,0,0,0|1,0,0]=3 8272 B9R0.45 CCCCCCNCCBr 432851e349f9c8ac31da8524f48578e2 [2,0,0,0,0,0|2,0,0]=4 8273 B9R0.45 CCCCCCNCCC e9c4dc74296e69be276b9ef8aee733d2 [2,0,0,0,0,0|1,0,1]=4 8274 B9R0.45 CCCCCCNCCF 9254cc0c3491162ddb811a1ca350686d [2,0,0,0,0,0|2,0,0]=4 8275 B9R0.45 CCCCCCNCCI 211348b41f09447d155ab96e959b3555 [2,0,0,0,0,0|2,0,0]=4 8276 B9R0.45 CCCCCCNCCO 2c640e5cf0d398eb15c3da8e201ff9a9 [2,0,0,0,0,0|1,0,0]=3 8277 B9R0.45 CCCCCCNCCS 295b56fa02564919637f2af1760de842 [2,0,0,0,0,0|1,1,0]=4 8278 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [2,0,0,0,0,0|1,0,0]=3 8279 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [2,0,0,0,0,0|1,0,1]=4 8280 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [2,0,0,0,0,0|2,0,0]=4 8281 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [2,0,0,0,0,0|1,1,0]=4 8282 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [2,0,0,0,0,0|1,0,1]=4 8283 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [2,0,0,0,0,0|1,0,0]=3 8284 B9R0.45 CCCCCNCCCC 4b3b475ebd19f4e81120126dc44604b9 [2,0,0,0,0,0|1,0,1]=4 8285 B9R0.45 CCCCCNCCCCl 109aece1b500375b78357a337e9896e4 [2,0,0,0,0,0|2,0,0]=4 8286 B9R0.45 CCCCCNCCCF 5ad689e26c296fbe8637b1c72c8b1ac8 [2,0,0,0,0,0|2,0,0]=4 8287 B9R0.45 CCCCCNCCCO 3cb5b804fc7f29c415be4738c214f571 [2,0,0,0,0,0|1,0,0]=3 8288 B9R0.45 CCCCCNCCCS 7d387ec49be60b8d3336c43db9a47159 [2,0,0,0,0,0|1,1,0]=4 8289 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [2,0,0,0,0,0|1,0,0]=3 8290 B9R0.45 CCCCCOCCCC 452d4f5e08ae861a8237c2e4edaffcee [2,0,0,0,0,0|1,0,1]=4 8291 B9R0.45 CCCCCOCCCF fafa7792cbca75bb6104f416c496b552 [2,0,0,0,0,0|2,0,0]=4 8292 B9R0.45 CCCCCOCCCS d7a2eff0ce3ac908cbe201d57fc422a2 [2,0,0,0,0,0|1,1,0]=4 8293 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [2,0,0,0,0,0|1,0,0]=3 8294 B9R0.45 CCCCNCCCCCl 8e0e9ebf8dfb1495f624013ef828e19e [2,0,0,0,0,0|2,0,0]=4 8295 B9R0.45 CCCCNCCCCF 953d043841cd25eff2ef5c3d0831f1dd [2,0,0,0,0,0|2,0,0]=4 8296 B9R0.45 CCCCNCCCCO 74a60cb017e8f2dcfff3bd80cde22232 [2,0,0,0,0,0|1,0,0]=3 8297 B9R0.45 CCCCNCCCCS 293a84436b4673ea4650c3832cb6a843 [2,0,0,0,0,0|1,1,0]=4 8298 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [2,0,0,0,0,0|1,0,0]=3 8299 B9R0.45 CCCCOCCCCF 42830ea441c5128d22602f571e3205b9 [2,0,0,0,0,0|2,0,0]=4 8300 B9R0.45 CCCCOCCCCS ec359e1317d20b353c1e6ee1fa4be1a0 [2,0,0,0,0,0|1,1,0]=4 8301 B9R0.45 CCCCOCCNC=O 4226cf4337dc176d54852a303582fe15 [2,0,0,0,0,0|2,0,0]=4 8302 B9R0.45 CCCCOCCNCO cd975e60385ed19fb54161372698cee4 [2,0,0,0,0,0|2,0,0]=4 8303 B9R0.45 CCCCOCCOC=O 731530ac43d06b0807181f538b37c31d [2,0,0,0,0,0|2,0,0]=4 8304 B9R0.45 CCCCOCNCCO 6bb9eca64afcebb6f28e84a821a2a862 [2,0,0,0,0,0|2,0,0]=4 8305 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [2,0,0,0,0,0|1,0,0]=3 8306 B9R0.45 CCCNCCCCCCl 2d5ae8cd51b6a7e591941cb7b0622e55 [2,0,0,0,0,0|2,0,0]=4 8307 B9R0.45 CCCNCCCCCF 7ddf79ca6b37ad2b5e8ddc392231f404 [2,0,0,0,0,0|2,0,0]=4 8308 B9R0.45 CCCNCCCCCO f3d6f4913e5f254c1bf460b36dd70b4c [2,0,0,0,0,0|1,0,0]=3 8309 B9R0.45 CCCNCCOCC=O 1acace12342365729be0b4a1c8839b77 [2,0,0,0,0,0|2,0,0]=4 8310 B9R0.45 CCCNCCOCCO 26e2580fee42af23b6bec1a5344f6efe [2,0,0,0,0,0|2,0,0]=4 8311 B9R0.45 CCCNCCSCCO 1f86c5fc79a4d95fd86404e323963902 [2,0,0,0,0,0|2,0,0]=4 8312 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [2,0,0,0,0,0|1,0,0]=3 8313 B9R0.45 CCCOCCCCCF b14e93115958730ea8214bff1c89eb77 [2,0,0,0,0,0|2,0,0]=4 8314 B9R0.45 CCCOCCCNC=O 3f83c74e540093398b86151d188b589d [2,0,0,0,0,0|2,0,0]=4 8315 B9R0.45 CCCOCCCNCO f453546a549baebba8d4dda9dd1f2b96 [2,0,0,0,0,0|2,0,0]=4 8316 B9R0.45 CCCOCCNCC=O cdec424df104fd1655eaaf340942285e [2,0,0,0,0,0|2,0,0]=4 8317 B9R0.45 CCCOCCNCCO 2fe038760c01b7075e45b162c476ceb9 [2,0,0,0,0,0|2,0,0]=4 8318 B9R0.45 CCCOCCOCC=O 486de8dd4e53e5f78a86ffc7c128bf3d [2,0,0,0,0,0|2,0,0]=4 8319 B9R0.45 CCCSCCOCC=O e8465b63891a9e011620a8eb43746fcd [2,0,0,0,0,0|2,0,0]=4 8320 B9R0.45 CCNCCCCCCCl 59b5285c49bc16b0b152df55e767300a [2,0,0,0,0,0|2,0,0]=4 8321 B9R0.45 CCNCCCCCCO 59b1923e7d0b8671db87a813cf6b4ab5 [2,0,0,0,0,0|1,0,0]=3 8322 B9R0.45 CCNCCCOCCO 6c261c514fd28efb5350d358913fae05 [2,0,0,0,0,0|2,0,0]=4 8323 B9R0.45 CCNCCOCCCO 0587f8b538abe097ec5a15ca1741ae9c [2,0,0,0,0,0|2,0,0]=4 8324 B9R0.45 CCOCCCCCCF 1581be03b145221792da0e70f0dc7ced [2,0,0,0,0,0|2,0,0]=4 8325 B9R0.45 CCOCCCCCCS 890481a3122baa8d804b207afa67ebc3 [2,0,0,0,0,0|1,1,0]=4 8326 B9R0.45 CCOCCCNCC=O 1df50ec465f64bbc25635b22e5db7849 [2,0,0,0,0,0|2,0,0]=4 8327 B9R0.45 CCOCCCNCCO 2b9ad8b94ae5a803722e62535f4291fd [2,0,0,0,0,0|2,0,0]=4 8328 B9R0.45 CCOCCCOCC=O cf6a32481fe179a2dab7e02bde302388 [2,0,0,0,0,0|2,0,0]=4 8329 B9R0.45 CCOCCNCCC=O 1589f5d637413f41c0bad2d8a4cd3b81 [2,0,0,0,0,0|2,0,0]=4 8330 B9R0.45 CCOCCNCCCO f920b2cdd5960150c1761b62d58446b4 [2,0,0,0,0,0|2,0,0]=4 8331 B9R0.45 CCOCCOCCC=O fba0b09a493de7243832a69755d5a406 [2,0,0,0,0,0|2,0,0]=4 8332 B9R0.45 CCOCNCCCCO 8a098d07046f425046fb40aa034ce721 [2,0,0,0,0,0|2,0,0]=4 8333 B9R0.45 CCOCOCCCC=O 8ebce82bd916a55c6d87bc905a09f51f [2,0,0,0,0,0|2,0,0]=4 8334 B9R0.45 CCSCCCCNC=O e3da595d950c9d5eba0c543529449821 [2,0,0,0,0,0|2,0,0]=4 8335 B9R0.45 CCSCCCCNCO b5317d3d243e051b414811fd9803b081 [2,0,0,0,0,0|2,0,0]=4 8336 B9R0.45 CCSCCCNCCO b73a81c9666f167eb7df0d9e4e845db9 [2,0,0,0,0,0|2,0,0]=4 8337 B9R0.45 CCSCCCOCC=O ff794a905fa0fbec7cf974222d58c65f [2,0,0,0,0,0|2,0,0]=4 8338 B9R0.45 CCSCCNCCC=O a73cdd3c5e667bfa86a2f130b2447f60 [2,0,0,0,0,0|2,0,0]=4 8339 B9R0.45 CCSCCNCCCO d094498045f2b61ea374614f3a36e63e [2,0,0,0,0,0|2,0,0]=4 8340 B9R0.45 CCSCCOCCC=O 4abc77696f56ecc9cbf6b43c5ce07dd7 [2,0,0,0,0,0|2,0,0]=4 8341 B9R0.45 COCCCCCNC=O e93060d28d3ca03cb27bbc266d47205c [2,0,0,0,0,0|2,0,0]=4 8342 B9R0.45 COCCCCCNCO bcbefdff7df1910d96b91030fdd66d71 [2,0,0,0,0,0|2,0,0]=4 8343 B9R0.45 COCCCCNCC=O bc0f621bc614bad8c542e04b6f8c00d4 [2,0,0,0,0,0|2,0,0]=4 8344 B9R0.45 COCCCCNCCO c64f84dda1c7e1a3b83c8677baf02563 [2,0,0,0,0,0|2,0,0]=4 8345 B9R0.45 COCCCCOCC=O 5bf6bdc536c03e33ef79afe0bce39d17 [2,0,0,0,0,0|2,0,0]=4 8346 B9R0.45 COCCCNCCC=O b57190bb20fa468cbc8789f244d6b619 [2,0,0,0,0,0|2,0,0]=4 8347 B9R0.45 COCCCNCCCO 80827af578dfd9221e88944d50b47203 [2,0,0,0,0,0|2,0,0]=4 8348 B9R0.45 COCCCOCCC=O b6a7a464a93f4512a62aaafac7d2c3bf [2,0,0,0,0,0|2,0,0]=4 8349 B9R0.45 COCCNCCCC=O 8de8c440c27ce646b454682cc54ec04c [2,0,0,0,0,0|2,0,0]=4 8350 B9R0.45 COCCNCCCCO 98a0ba2b4e7cfdb77ca7eb5bd158bcce [2,0,0,0,0,0|2,0,0]=4 8351 B9R0.45 COCCOCCCC=O 4eced31e0a91724ea66865665efb8a73 [2,0,0,0,0,0|2,0,0]=4 8352 B9R0.45 COCNCCCCCO 1110af8acba3f65702890e8caffb75f5 [2,0,0,0,0,0|2,0,0]=4 8353 B9R0.45 COCOCCCCC=O 1e9f4f95dc82f1192a72acc421b3ceb4 [2,0,0,0,0,0|2,0,0]=4 8354 B9R0.45 CSCCCCNCC=O ceb16b1926dbac74a0dccfe6e9c90c38 [2,0,0,0,0,0|2,0,0]=4 8355 B9R0.45 CSCCCCNCCO 71aec6063e81fccb3b9166d912cdd51e [2,0,0,0,0,0|2,0,0]=4 8356 B9R0.45 CSCCCCOCC=O c382918f846eeb37fed2c51c97422532 [2,0,0,0,0,0|2,0,0]=4 8357 B9R0.45 CSCCCNCCC=O d38fed5441cd6c2e041c6d8986238557 [2,0,0,0,0,0|2,0,0]=4 8358 B9R0.45 CSCCCNCCCO 28a7baa82e21352faa8b2b7ae1ad9e7c [2,0,0,0,0,0|2,0,0]=4 8359 B9R0.45 CSCCCOCCC=O 8295bf8657dc69649b9faab665f00482 [2,0,0,0,0,0|2,0,0]=4 8360 B9R0.45 CSCCNCCCC=O 8d7d5642d85386280bfc36051d0df084 [2,0,0,0,0,0|2,0,0]=4 8361 B9R0.45 CSCCNCCCCO 62e46910418c4ce52244f7fbd91c204a [2,0,0,0,0,0|2,0,0]=4 8362 B9R0.45 CSCCOCCCC=O 52e7ca7dbd7d70965091faf706831a8b [2,0,0,0,0,0|2,0,0]=4 8363 B9R0.45 CSCNCCCCCO 5bb2e7db9b994ef76c056647cef0a208 [2,0,0,0,0,0|2,0,0]=4 8364 B9R0.45 CSCOCCCCC=O e279a2cb99bc97e67b45db8cbfac7c12 [2,0,0,0,0,0|2,0,0]=4 8365 B9R0.45 O=CCCCCNCCBr 5abec0ed0917442c8c232cdb425a9841 [2,0,0,0,0,0|2,0,0]=4 8366 B9R0.45 O=CCCCCNCCF eb9f24cce8e482daf38d14d9d549bbb1 [2,0,0,0,0,0|2,0,0]=4 8367 B9R0.45 O=CCCCCNCCI 70b4665906e4318f4c49372e2844c374 [2,0,0,0,0,0|2,0,0]=4 8368 B9R0.45 O=CCCCCNCCO 85ae23fbf5ae9276f3b511278a68fed1 [2,0,0,0,0,0|2,0,0]=4 8369 B9R0.45 O=CCCCCNCCS deffd1d2c176beb2f0f71b26a9711ee2 [2,0,0,0,0,0|2,0,0]=4 8370 B9R0.45 O=CCCCCOCCF 9b2c7b33aa8c8f306ca8eb570fcf7b58 [2,0,0,0,0,0|2,0,0]=4 8371 B9R0.45 O=CCCCCOCCS bc4f0fef628b9966ab9f3b44089a7d10 [2,0,0,0,0,0|2,0,0]=4 8372 B9R0.45 O=CCCCNCCCCl 3dae4dda634271ae27163fd45f5d3163 [2,0,0,0,0,0|2,0,0]=4 8373 B9R0.45 O=CCCCNCCCO 58ef7b77b7be690608fd65ce9c6abe71 [2,0,0,0,0,0|2,0,0]=4 8374 B9R0.45 O=CCCCOCCCF e1070872c292eb7b879ef21318c9c15c [2,0,0,0,0,0|2,0,0]=4 8375 B9R0.45 O=CCCCOCCCS 138cbbec11bd45b1a4d85bf9b5287b7a [2,0,0,0,0,0|2,0,0]=4 8376 B9R0.45 O=CCCNCCCCCl f851f5adb29aefdb303aca6a0afddb51 [2,0,0,0,0,0|2,0,0]=4 8377 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [2,0,0,0,0,0|2,0,0]=4 8378 B9R0.45 O=CCCNCCCCS a16cbec588d57d2616e56c10fc4cf764 [2,0,0,0,0,0|2,0,0]=4 8379 B9R0.45 O=CCCOCCCCF b28a94840b1fc0f0b86ff0a09810e8f8 [2,0,0,0,0,0|2,0,0]=4 8380 B9R0.45 O=CCCOCCCCS 1e02f2461dcb63ee34b6c10ad7ae6e80 [2,0,0,0,0,0|2,0,0]=4 8381 B9R0.45 O=CCNCCCCCCl a090314f6f7fb6541d79b47c4505cb08 [2,0,0,0,0,0|2,0,0]=4 8382 B9R0.45 O=CCNCCCCCO e20d30c887448f62cb966ff66604b03d [2,0,0,0,0,0|2,0,0]=4 8383 B9R0.45 O=CNCCCCCCCl a8d8b40eb8e24dc175f39e3613e37fe1 [2,0,0,0,0,0|2,0,0]=4 8384 B9R0.45 O=CNCCCCCCO da506faeac8e24bf810b2dadaf20a2f0 [2,0,0,0,0,0|2,0,0]=4 8385 B9R0.45 OCCCCCCNCF 9f8dd59df8b832f35306dcc311b8ba0b [2,0,0,0,0,0|2,0,0]=4 8386 B9R0.45 OCCCCCCNCO b03974d5eaea260ed44c4429a42a8efd [2,0,0,0,0,0|2,0,0]=4 8387 B9R0.45 OCCCCCNCCBr b6fe72a70aa9ee94c38953fc5fa03507 [2,0,0,0,0,0|2,0,0]=4 8388 B9R0.45 OCCCCCNCCF efe70d32a4c6133cd05e8c1bf8301a0a [2,0,0,0,0,0|2,0,0]=4 8389 B9R0.45 OCCCCCNCCI 4b343205ce8465baed90cb0f419c6c4d [2,0,0,0,0,0|2,0,0]=4 8390 B9R0.45 OCCCCCNCCO c6e0d5af126a56a449acd76dabb0d0a6 [2,0,0,0,0,0|2,0,0]=4 8391 B9R0.45 OCCCCCNCCS 81db03003d62237a4ac003bf8b7c1409 [2,0,0,0,0,0|2,0,0]=4 8392 B9R0.45 OCCCCNCCCCl 5d4dd36721e99428cdc35a6893c3e2fe [2,0,0,0,0,0|2,0,0]=4 8393 B9R0.45 OCCCCNCCCF 6f20b166a61175e5d8c115f1b02448f2 [2,0,0,0,0,0|2,0,0]=4 8394 B9R0.45 OCCCCNCCCO 5785bad1b39de5e973646d0653e00598 [2,0,0,0,0,0|2,0,0]=4 8395 B9R0.45 OCCCCNCCCS 15be786d5d00bee1f4424bf326f6da44 [2,0,0,0,0,0|2,0,0]=4 8396 B9R0.45 OCCCNCCCCCl 19919d9b789640b88d6d653b90e1be74 [2,0,0,0,0,0|2,0,0]=4 8397 B9R0.45 OCCCNCCCCF 1b694695d8d20de2554ac05a72c91dce [2,0,0,0,0,0|2,0,0]=4 8398 B9R0.45 OCCCNCCCCS 8e91b12d63d803cd106ce9f5169f8923 [2,0,0,0,0,0|2,0,0]=4 8399 B9R0.45 OCCNCCCCCCl e9f98005127c4b0d506088db3b60ee60 [2,0,0,0,0,0|2,0,0]=4 8400 B9R0.45 OCCNCCCCCF 758b4b8080a41888cab6ab1d11640066 [2,0,0,0,0,0|2,0,0]=4 8401 B9R0.45 OCNCCCCCCCl 6c66f104945205670f9512f61ea483f8 [2,0,0,0,0,0|2,0,0]=4 8402 B11R0.2 CC(CC(=O)O)NCCCCCl b331d0c86b049005bf08062a71d294c4 [1,1,0,0,0,0|2,0,0]=4 8403 B11R0.2 CC(CC(=O)O)NCCCCF 0ab1ef0cfae5c2805fd9d4711c296ea0 [1,1,0,0,0,0|2,0,0]=4 8404 B11R0.2 CC(CC(=O)O)NCCCCO 6e13e79fbb4ef5e1dab6d3cf15f5e138 [1,1,0,0,0,0|2,0,0]=4 8405 B11R0.2 CC(CC(=O)O)NCCCCS b1ff01afe8b912f8bf615c463090cd2d [1,1,0,0,0,0|2,0,0]=4 8406 B11R0.2 CC(CC(=O)O)OCCCCF 83ec30abf4260741aee18f3da935bde5 [1,1,0,0,0,0|2,0,0]=4 8407 B11R0.2 CC(CCNCCBr)CC(=O)O bba1e8138b07ce55051d0aabea777ad3 [1,1,0,0,0,0|2,0,0]=4 8408 B11R0.2 CC(CCNCCF)CC(=O)O 981d7b96788088140e88d6f568d7e70a [1,1,0,0,0,0|2,0,0]=4 8409 B11R0.2 CC(CCNCCI)CC(=O)O 1fb2dd48d2ae1d6e4aaa846221efafd4 [1,1,0,0,0,0|2,0,0]=4 8410 B11R0.2 CC(CCNCCO)CC(=O)O ef40bd0cccd720b29e6419d585cbd8c9 [1,1,0,0,0,0|2,0,0]=4 8411 B11R0.2 CC(CCNCCS)CC(=O)O 763121a5e4adb3523211fa7efd1ad56f [1,1,0,0,0,0|2,0,0]=4 8412 B11R0.2 CC(CCOCCF)CC(=O)O 8b0e6d33ad5baeaace35366d9ba4a1ef [1,1,0,0,0,0|2,0,0]=4 8413 B11R0.2 CC(CCOCCS)CC(=O)O bdb288c9ac72be4a538660ab84972031 [1,1,0,0,0,0|2,0,0]=4 8414 B11R0.2 CCCCCCC(C)NC(=O)C 7d2594c88fb8150c121e8324175f88c5 [1,1,0,0,0,0|2,0,0]=4 8415 B11R0.2 CCCCCCN(C)CC(=O)N 2afd7c62493d1775bf0dfb85f9ba8679 [1,1,0,0,0,0|2,0,0]=4 8416 B11R0.2 CCCCCCN(C)CC(=O)O fffbd83ababffa159958606d9a112cce [1,1,0,0,0,0|1,0,0]=3 8417 B11R0.2 CCCCCC[C@@H](C)NC(=O)C af528d8f66525ad70454e456f4855ab6 [1,1,0,0,0,0|2,0,0]=4 8418 B11R0.2 CCCCCC[C@H](C)NC(=O)C 4ac5ea84352b83ba49d889143f6264a1 [1,1,0,0,0,0|2,0,0]=4 8419 B11R0.2 CCCCCNC(C)CC(=O)O 35ff80d8a8ecd4079ace6eaf7231bc4a [1,1,0,0,0,0|1,0,0]=3 8420 B11R0.2 CCCCCN[C@@H](C)CC(=O)O c45c1d80dfd9c8037699654c10768e13 [1,1,0,0,0,0|1,0,0]=3 8421 B11R0.2 CCCCCN[C@H](C)CC(=O)O de2ba2e7faa23b2ad6983512ff9a06fc [1,1,0,0,0,0|1,0,0]=3 8422 B11R0.2 CCCCCOC(C)CC(=O)N f8e1b826266308c0b0e93a288800c0a5 [1,1,0,0,0,0|2,0,0]=4 8423 B11R0.2 CCCCCOC(C)CC(=O)O c4f6d91d5cba7a6eb60e8eedc267d663 [1,1,0,0,0,0|1,0,0]=3 8424 B11R0.2 CCCCCO[C@@H](C)CC(=O)O 760c1d1cf7508749ba57f8e374efa729 [1,1,0,0,0,0|1,0,0]=3 8425 B11R0.2 CCCCCO[C@H](C)CC(=O)O 8b6a404610ba4ea008d74ddda615d1d3 [1,1,0,0,0,0|1,0,0]=3 8426 B11R0.2 CCCCNCC(=O)CC(=O)O 924460e29012324689885e436a9da05b [1,1,0,0,0,0|1,0,1]=4 8427 B11R0.2 CCCCNCC(O)CC(=O)O 5cd44d1731f9375b8f32ca873f44f433 [1,1,0,0,0,0|1,0,0]=3 8428 B11R0.2 CCCCNC[C@@H](O)CC(=O)O 26599441bd630ac3e4d20d4b6672416d [1,1,0,0,0,0|1,0,0]=3 8429 B11R0.2 CCCCNC[C@H](O)CC(=O)O a6b23ab90314f2eda54f59837c52415c [1,1,0,0,0,0|1,0,0]=3 8430 B11R0.2 CCCCOCC(=O)CC(=O)O bee6e58f12e6a46c40700c754be2d5be [1,1,0,0,0,0|1,0,1]=4 8431 B11R0.2 CCCCOCN(C)CC(=O)O 366130abc5c0618364805b732068c639 [1,1,0,0,0,0|2,0,0]=4 8432 B11R0.2 CCCNCCC(C)CC(=O)O 3df807e8d4a6f4424410fa08035527d6 [1,1,0,0,0,0|1,0,0]=3 8433 B11R0.2 CCCOCCC(C)CC(=O)O 9bbb78eef3e48b584e04ea8fe4ce94ed [1,1,0,0,0,0|1,0,0]=3 8434 B11R0.2 CCCOCCN(C)CC(=O)O 6eb60fa6cbce5573167abece5b4dd060 [1,1,0,0,0,0|2,0,0]=4 8435 B11R0.2 CCOCCCN(C)CC(=O)O d36503e2c1e74cdc0f0b425927b33cc3 [1,1,0,0,0,0|2,0,0]=4 8436 B11R0.2 CCOCCNC(C)CC(=O)O a15a3fffeaf0a2f3de62a1a038696d92 [1,1,0,0,0,0|2,0,0]=4 8437 B11R0.2 CCOCCN[C@@H](C)CC(=O)O 044071e079b6d7207205dc1c3ee76ce8 [1,1,0,0,0,0|2,0,0]=4 8438 B11R0.2 CCOCCN[C@H](C)CC(=O)O 4dd36f6823dc4f005eaff8bf660467be [1,1,0,0,0,0|2,0,0]=4 8439 B11R0.2 CCOCCOC(C)CC(=O)O cfec32be174307cbe281e0567b463a1f [1,1,0,0,0,0|2,0,0]=4 8440 B11R0.2 CCOCCO[C@@H](C)CC(=O)O 778f64cf9be2f57ec97eeb3f8959162d [1,1,0,0,0,0|2,0,0]=4 8441 B11R0.2 CCOCCO[C@H](C)CC(=O)O 29342161c7a4e299f35958ee10b81573 [1,1,0,0,0,0|2,0,0]=4 8442 B11R0.2 CCOCNCC(O)CC(=O)O f0e005d08cf5516603fc5b7d1a459aa3 [1,1,0,0,0,0|2,0,0]=4 8443 B11R0.2 CCOCNC[C@@H](O)CC(=O)O 828ebd4a30a371da6dd94204746f68ce [1,1,0,0,0,0|2,0,0]=4 8444 B11R0.2 CCOCNC[C@H](O)CC(=O)O 4f07e848f41b1f8b44bead0f67cd13a0 [1,1,0,0,0,0|2,0,0]=4 8445 B11R0.2 CCSCCCN(C)CC(=O)O c951f6788f00a0f0c0ef07f1b26f296c [1,1,0,0,0,0|2,0,0]=4 8446 B11R0.2 CCSCCNC(C)CC(=O)O 74d8de5b518b0ff401548001d266592c [1,1,0,0,0,0|2,0,0]=4 8447 B11R0.2 CCSCCN[C@@H](C)CC(=O)O 0e575ecfccb78779b4e018fd110711dc [1,1,0,0,0,0|2,0,0]=4 8448 B11R0.2 CCSCCN[C@H](C)CC(=O)O c49b112fc56e991990ec4431189cbc81 [1,1,0,0,0,0|2,0,0]=4 8449 B11R0.2 CCSCCOC(C)CC(=O)O 5c494fcb0170a88a41ab2559a61230cd [1,1,0,0,0,0|2,0,0]=4 8450 B11R0.2 CN(CCCCCF)CC(=O)O 12639e047e14b8526dd0c46ed16ca6a0 [1,1,0,0,0,0|2,0,0]=4 8451 B11R0.2 CN(CCCCCO)CC(=O)O 83b7e21eeb46918d762b90e77be80bca [1,1,0,0,0,0|2,0,0]=4 8452 B11R0.2 COCCCCN(C)CC(=O)O 4e3b3f81e00138eb82c9761e9e6d6a82 [1,1,0,0,0,0|2,0,0]=4 8453 B11R0.2 COCCCNC(C)CC(=O)O 9a0205d62a43a92c14b3729996b3fc84 [1,1,0,0,0,0|2,0,0]=4 8454 B11R0.2 COCCCN[C@@H](C)CC(=O)O 07532df5ef9a55af4313d8a5af39583b [1,1,0,0,0,0|2,0,0]=4 8455 B11R0.2 COCCCN[C@H](C)CC(=O)O 47def5a71bdc0bea4005c452fabf52fe [1,1,0,0,0,0|2,0,0]=4 8456 B11R0.2 COCCCOC(C)CC(=O)O 89020822910975f48996cd77d10f047b [1,1,0,0,0,0|2,0,0]=4 8457 B11R0.2 COCCCO[C@@H](C)CC(=O)O 64ff7b73fc8bf7395c9a2fe2cdb67c79 [1,1,0,0,0,0|2,0,0]=4 8458 B11R0.2 COCCCO[C@H](C)CC(=O)O d167dfc9432878848a948379fb4bcac0 [1,1,0,0,0,0|2,0,0]=4 8459 B11R0.2 COCCNCC(O)CC(=O)O 7245dd8ea6e73dc86e145a8b152cc3a1 [1,1,0,0,0,0|2,0,0]=4 8460 B11R0.2 COCCNC[C@@H](O)CC(=O)O 50183035a6ca43df4d7557a2346f43bd [1,1,0,0,0,0|2,0,0]=4 8461 B11R0.2 COCCNC[C@H](O)CC(=O)O d6f2b77d0b4b5603b217903d5ac6deaf [1,1,0,0,0,0|2,0,0]=4 8462 B11R0.2 COCOCCC(C)CC(=O)O 843ddeb10c9fd9e50e45da0778203112 [1,1,0,0,0,0|2,0,0]=4 8463 B11R0.2 CSCCCNC(C)CC(=O)O 52dfb832f2459c5f495ca3f890127451 [1,1,0,0,0,0|2,0,0]=4 8464 B11R0.2 CSCCCN[C@@H](C)CC(=O)O cea454f9c59cdb48628f31cb9e7d1af0 [1,1,0,0,0,0|2,0,0]=4 8465 B11R0.2 CSCCCN[C@H](C)CC(=O)O ee10f861e06f9fffd7e65f305fb1018b [1,1,0,0,0,0|2,0,0]=4 8466 B11R0.2 CSCCCOC(C)CC(=O)O d0f846f0c54f0932c08009562947ebf1 [1,1,0,0,0,0|2,0,0]=4 8467 B11R0.2 CSCCCO[C@@H](C)CC(=O)O 34f00cedeee38e529f099e58f0d869ac [1,1,0,0,0,0|2,0,0]=4 8468 B11R0.2 CSCCCO[C@H](C)CC(=O)O a9143fddbc2176d077c08b4304e87268 [1,1,0,0,0,0|2,0,0]=4 8469 B11R0.2 CSCCNCC(O)CC(=O)O a0b90bc6bdedd8e4602f3820a767c916 [1,1,0,0,0,0|2,0,0]=4 8470 B11R0.2 CSCCNC[C@@H](O)CC(=O)O 27c7a971143bacc39e7341163fc94731 [1,1,0,0,0,0|2,0,0]=4 8471 B11R0.2 CSCCNC[C@H](O)CC(=O)O 7d84bb16b1d9a976dacbb733bf15a253 [1,1,0,0,0,0|2,0,0]=4 8472 B11R0.2 C[C@@H](CC(=O)O)NCCCCF f221a374204d6d070cc508a569cb6fdc [1,1,0,0,0,0|2,0,0]=4 8473 B11R0.2 C[C@@H](CC(=O)O)NCCCCO 704779c61403675510f67ed57c0e6f28 [1,1,0,0,0,0|2,0,0]=4 8474 B11R0.2 C[C@@H](CC(=O)O)OCCCCF e7e443470709eda4bdf8c6e4d188719b [1,1,0,0,0,0|2,0,0]=4 8475 B11R0.2 C[C@H](CC(=O)O)NCCCCF 64cd394c1ecb451ee05250a0826800a4 [1,1,0,0,0,0|2,0,0]=4 8476 B11R0.2 C[C@H](CC(=O)O)NCCCCO 9493a0e444e889bab899afcf7d491c35 [1,1,0,0,0,0|2,0,0]=4 8477 B11R0.2 C[C@H](CC(=O)O)OCCCCF 97c0633bc8ada75a21b39ea490d61d95 [1,1,0,0,0,0|2,0,0]=4 8478 B11R0.2 O=C(O)CC(O)CNCCCF b597f9da5bfa5502b4b824595ef9dadc [1,1,0,0,0,0|2,0,0]=4 8479 B11R0.2 O=C(O)CC(O)CNCCCO e8421a993a6e4ebc00c059e03d8b5589 [1,1,0,0,0,0|2,0,0]=4 8480 B11R0.2 O=C(O)CC(O)CNCCCS fea648af86df17193bb32e89e7cfa1c9 [1,1,0,0,0,0|2,0,0]=4 8481 B11R0.2 O=C(O)C[C@@H](O)CNCCCF 4192980fb55d1138c4144bb3a565c35f [1,1,0,0,0,0|2,0,0]=4 8482 B11R0.2 O=C(O)C[C@@H](O)CNCCCO 8fbb8fade9c7cc3a07ee7bc8b12b519d [1,1,0,0,0,0|2,0,0]=4 8483 B11R0.2 O=C(O)C[C@@H](O)CNCCCS 4c4801d0aad5ae9804124921d86ad8ff [1,1,0,0,0,0|2,0,0]=4 8484 B11R0.2 O=C(O)C[C@H](O)CNCCCF 4494c06e74da87814ee9518fabf1782a [1,1,0,0,0,0|2,0,0]=4 8485 B11R0.2 O=C(O)C[C@H](O)CNCCCO 663e42a4437f78547401fb74b1c19cf7 [1,1,0,0,0,0|2,0,0]=4 8486 B11R0.2 O=C(O)C[C@H](O)CNCCCS 1d742f00a2dc0009c7b61bf82ba5f91c [1,1,0,0,0,0|2,0,0]=4 8487 B11R0.30 C=C(C)CCCNCCC(=O)O 544896bfdf9464fa0a936c441c95e572 [1,1,0,0,0,0|1,0,1]=4 8488 B11R0.30 C=C(C)CCCOCCC(=O)O d1d9a510249864686b07c2c599d33cf7 [1,1,0,0,0,0|1,0,1]=4 8489 B11R0.30 C=C(C)CCNCCCC(=O)O 4c01cc892d0c201003dffca49566a552 [1,1,0,0,0,0|1,0,1]=4 8490 B11R0.30 C=C(C)CNCCCCC(=O)O e9f19bdfbade7f5ebcb1d3a03088003e [1,1,0,0,0,0|1,0,1]=4 8491 B11R0.30 C=C(C)COCCCCC(=O)O 35e8b99d3aa4c924a74b1d98c7280906 [1,1,0,0,0,0|1,0,1]=4 8492 B11R0.30 CC(=O)CCCCCOC(C)C 757b0472136ac1cbb797dd6ffe7fffff [1,1,0,0,0,0|2,0,0]=4 8493 B11R0.30 CC(=O)CCCCNCC(=O)O 1c57a7ba0f4b7994ec3637755a7dd6e5 [1,1,0,0,0,0|1,0,1]=4 8494 B11R0.30 CC(=O)CCCCNCC(C)C 086583d64fdfe80870f5b9f3470e6f30 [1,1,0,0,0,0|2,0,0]=4 8495 B11R0.30 CC(=O)CCCCNCC(C)O 150661f01df1b41b256186747d770382 [1,1,0,0,0,0|2,0,0]=4 8496 B11R0.30 CC(=O)CCCCNC[C@@H](C)O 877536ea410bda933fd0d11829e3f1f5 [1,1,0,0,0,0|2,0,0]=4 8497 B11R0.30 CC(=O)CCCCNC[C@H](C)O cfdd04aa9ecca29fba214bac18aab3b2 [1,1,0,0,0,0|2,0,0]=4 8498 B11R0.30 CC(=O)CCCCOCC(=O)O 9b9d1beac29b1e52af0a87800aa596f1 [1,1,0,0,0,0|1,0,1]=4 8499 B11R0.30 CC(=O)CCCCOCC(C)C 7a79126218a597dff4d8ec4e795cfcbb [1,1,0,0,0,0|2,0,0]=4 8500 B11R0.30 CC(=O)CCCCOCC(C)F bcbd60aef8b3c116db3a7fa70ce8e83f [1,1,0,0,0,0|2,0,0]=4 8501 B11R0.30 CC(=O)CCCCOCC(C)S 7832309074eede08d6a582a017a4f5bb [1,1,0,0,0,0|2,0,0]=4 8502 B11R0.30 CC(=O)CCCCOC[C@@H](C)F 746bce0aab382588d2193be2f829323e [1,1,0,0,0,0|2,0,0]=4 8503 B11R0.30 CC(=O)CCCCOC[C@H](C)F 04ce9cbbfb67e80646c5ae44c5a73ebb [1,1,0,0,0,0|2,0,0]=4 8504 B11R0.30 CC(=O)CCCNCCC(=O)O fad58c31a6bbc58fdd7ddd380df80eaa [1,1,0,0,0,0|1,0,1]=4 8505 B11R0.30 CC(=O)CCCNCCC(C)C 6c5866f61f9b5537e5ad109ebe65ed57 [1,1,0,0,0,0|2,0,0]=4 8506 B11R0.30 CC(=O)CCCNCCC(C)O e90fa3f64f3d5ab2f15000bb5aca15e9 [1,1,0,0,0,0|2,0,0]=4 8507 B11R0.30 CC(=O)CCCNCC[C@@H](C)O 01845a444019ef69b56595bff259c90d [1,1,0,0,0,0|2,0,0]=4 8508 B11R0.30 CC(=O)CCCNCC[C@H](C)O dbf4bbd732f1f0f607a0fcba58e3d450 [1,1,0,0,0,0|2,0,0]=4 8509 B11R0.30 CC(=O)CCCOCCC(=O)O 0a4e8bfaee2ea1356de7862b185bfccb [1,1,0,0,0,0|1,0,1]=4 8510 B11R0.30 CC(=O)CCCOCCC(C)C ec869dd280510c00f1aed0572d475c1d [1,1,0,0,0,0|2,0,0]=4 8511 B11R0.30 CC(=O)CCNCCCC(=O)O 56f4d878dc3100248d1a3bb95b838ccd [1,1,0,0,0,0|1,0,1]=4 8512 B11R0.30 CC(=O)CCNCCCC(C)C ebc7fcb5de4dacc7e32ec9d237cbf140 [1,1,0,0,0,0|2,0,0]=4 8513 B11R0.30 CC(=O)CCOCCCC(C)C b939bcd8111992cefd519ecf222ca090 [1,1,0,0,0,0|2,0,0]=4 8514 B11R0.30 CC(=O)CNCCCCC(C)C 3d35a05533fd3f24af80d939dcafa2e5 [1,1,0,0,0,0|2,0,0]=4 8515 B11R0.30 CC(=O)CNCCCCC(C)O 15573be76016b8f7bd0e839b5556feb2 [1,1,0,0,0,0|2,0,0]=4 8516 B11R0.30 CC(=O)CNCCCC[C@@H](C)O 873c419bc007215fffd2c2568d78654b [1,1,0,0,0,0|2,0,0]=4 8517 B11R0.30 CC(=O)COCCCCC(C)C d7852fa28391ec3ec73b1da98f42a6dc [1,1,0,0,0,0|2,0,0]=4 8518 B11R0.30 CC(=O)NCCCCCC(C)C 0c729d95049ba0127ccadd97d26dcf95 [1,1,0,0,0,0|2,0,0]=4 8519 B11R0.30 CC(C)CCCCNCC(=O)N aa426cff99b6725d758fb0a6757339d9 [1,1,0,0,0,0|2,0,0]=4 8520 B11R0.30 CC(C)CCCCNCC(=O)O 39a93d590261e532e6f29909d3f91c16 [1,1,0,0,0,0|1,0,0]=3 8521 B11R0.30 CC(C)CCCCOCC(=O)N 24ef63b582da970833efb0d86a881957 [1,1,0,0,0,0|2,0,0]=4 8522 B11R0.30 CC(C)CCCCOCC(=O)O 11166f2d7cea686a04aab0f10eb2bc17 [1,1,0,0,0,0|1,0,0]=3 8523 B11R0.30 CC(C)CCCCOCS(=O)O 16179452b051abf8bf9e3a01650e37c3 [1,1,0,0,0,0|2,0,0]=4 8524 B11R0.30 CC(C)CCCNCCC(=O)N f691e1ed05799cf321f627e70f67d4f8 [1,1,0,0,0,0|2,0,0]=4 8525 B11R0.30 CC(C)CCCNCCC(=O)O 9fddffe46eb38a449aed1424523e58eb [1,1,0,0,0,0|1,0,0]=3 8526 B11R0.30 CC(C)CCCNCCS(=O)O aa10ef71943fc444a169c6b7a54bcaec [1,1,0,0,0,0|2,0,0]=4 8527 B11R0.30 CC(C)CCCOCCC(=O)N 4a38c871264ea818f4a2d88445342696 [1,1,0,0,0,0|2,0,0]=4 8528 B11R0.30 CC(C)CCCOCCC(=O)O 045ec022986b652ea5c7631767d6500a [1,1,0,0,0,0|1,0,0]=3 8529 B11R0.30 CC(C)CCNCCCC(=O)N 2f3d20836b1204012b3896324c24c0ce [1,1,0,0,0,0|2,0,0]=4 8530 B11R0.30 CC(C)CCNCCCC(=O)O e6b38baa886c90ac0d215e2a16fee953 [1,1,0,0,0,0|1,0,0]=3 8531 B11R0.30 CC(C)CCOCCCC(=O)N b793772c46250531664b28a72c08195d [1,1,0,0,0,0|2,0,0]=4 8532 B11R0.30 CC(C)CNCCCCC(=O)N 6f11fc49e99188a2ec093040e80a48ac [1,1,0,0,0,0|2,0,0]=4 8533 B11R0.30 CC(C)CNCCCCC(=O)O 5548bd77a92bf974b6877feef8de1811 [1,1,0,0,0,0|1,0,0]=3 8534 B11R0.30 CC(C)CNCCOCC(=O)O 80e81b7dcba119a32def60c9dd8be241 [1,1,0,0,0,0|2,0,0]=4 8535 B11R0.30 CC(C)CNCCSCC(=O)O 9da9e86a13299c9d51ea4eaf3970a743 [1,1,0,0,0,0|2,0,0]=4 8536 B11R0.30 CC(C)COCCCCC(=O)N 07c931c376acd33db918386c45b02d1f [1,1,0,0,0,0|2,0,0]=4 8537 B11R0.30 CC(C)COCCCCC(=O)O 9dd6d4e8425617c9be3c7d35609714a4 [1,1,0,0,0,0|1,0,0]=3 8538 B11R0.30 CC(C)COCCNCC(=O)O 2736a68be015fe4a7aa2e6d508daad87 [1,1,0,0,0,0|2,0,0]=4 8539 B11R0.30 CC(C)COCCOCC(=O)O 102376f215d5dc8e5c76f12781199c9c [1,1,0,0,0,0|2,0,0]=4 8540 B11R0.30 CC(C)CSCCOCC(=O)O ab3c38f511f498706e1b6026c172202e [1,1,0,0,0,0|2,0,0]=4 8541 B11R0.30 CC(C)NCCCCCC(=O)N 63ce2ec60713f828ce9bff6a30926442 [1,1,0,0,0,0|2,0,0]=4 8542 B11R0.30 CC(C)NCCCCCC(=O)O 0fa6dda8948ff26f06556f714a7766aa [1,1,0,0,0,0|1,0,0]=3 8543 B11R0.30 CC(C)NCCOCCC(=O)O fc063751c65cddecdcf0d46f570d2f65 [1,1,0,0,0,0|2,0,0]=4 8544 B11R0.30 CC(C)OCCCCCC(=O)N 5a8ea6c8f426585a80450570ad4eb161 [1,1,0,0,0,0|2,0,0]=4 8545 B11R0.30 CC(C)OCCCCCC(=O)O db9a0ab4c678c26853cc6d16db0df97a [1,1,0,0,0,0|1,0,0]=3 8546 B11R0.30 CC(C)OCCCNCC(=O)O e5b05e591aeb2ffb5c6460865f9cd0f4 [1,1,0,0,0,0|2,0,0]=4 8547 B11R0.30 CC(C)OCCCOCC(=O)O 85d4ed8113998f359c0416d09e1a14af [1,1,0,0,0,0|2,0,0]=4 8548 B11R0.30 CC(C)OCCNCCC(=O)O 82eb96625b139e80953ccb542425dd17 [1,1,0,0,0,0|2,0,0]=4 8549 B11R0.30 CC(C)OCCOCCC(=O)O 25d65e51f6d2668ac4042c35125ba0cb [1,1,0,0,0,0|2,0,0]=4 8550 B11R0.30 CC(C)OCNCCCC(=O)O 5c7b98589ea3b97df0e670eb1208d3dc [1,1,0,0,0,0|2,0,0]=4 8551 B11R0.30 CC(C)SCCCNCC(=O)O 152a973e5155d2e34651eb62bc1bf8d7 [1,1,0,0,0,0|2,0,0]=4 8552 B11R0.30 CC(C)SCCCOCC(=O)O 2ba9d8423fa11ac09df26e819a8db90d [1,1,0,0,0,0|2,0,0]=4 8553 B11R0.30 CC(C)SCCNCCC(=O)O 02a9604457009743aadc4518198c6847 [1,1,0,0,0,0|2,0,0]=4 8554 B11R0.30 CC(C)SCCOCCC(=O)O e6563660025b02806c4297559abbf80a [1,1,0,0,0,0|2,0,0]=4 8555 B11R0.30 CC(F)COCCCCC(=O)N fa470b8d2477e49068a03a92d26a5ee2 [1,1,0,0,0,0|2,0,0]=4 8556 B11R0.30 CC(F)COCCOCC(=O)O 3d8b0889f656d1409a140f015546799b [1,1,0,0,0,0|2,0,0]=4 8557 B11R0.30 CC(O)CCCCNCC(=O)N 1a5f4dca1abc1a7f76e8a140d06513d9 [1,1,0,0,0,0|2,0,0]=4 8558 B11R0.30 CC(O)CCCCNCC(=O)O 8ace7019a75bd4e3f2fa1cdb39804ad3 [1,1,0,0,0,0|1,0,0]=3 8559 B11R0.30 CC(O)CCCNCCC(=O)N 7584948b12f1ad68b7341d952f2e6a62 [1,1,0,0,0,0|2,0,0]=4 8560 B11R0.30 CC(O)CCCNCCC(=O)O e545876e5122d6c93c5b82e9664781f0 [1,1,0,0,0,0|1,0,0]=3 8561 B11R0.30 CC(O)CCCNCCS(=O)O 4d93823095a73e991adad38446f1f1c9 [1,1,0,0,0,0|2,0,0]=4 8562 B11R0.30 CC(O)CCNCCCC(=O)N 368302aa18e149b31dd00388b7c4801d [1,1,0,0,0,0|2,0,0]=4 8563 B11R0.30 CC(O)CCNCCCC(=O)O 6ee06c85843817aac8d5c523a45d2881 [1,1,0,0,0,0|1,0,0]=3 8564 B11R0.30 CC(O)CNCCCCC(=O)N 2e6edb4487eb96d4ec7e7681fb035a7d [1,1,0,0,0,0|2,0,0]=4 8565 B11R0.30 CC(O)CNCCCCC(=O)O 0fa47e549b47d5274161f6feb011a766 [1,1,0,0,0,0|1,0,0]=3 8566 B11R0.30 CC(O)CNCCOCC(=O)O 2f3dccd96c7f2ba6d2fec066aebd44b6 [1,1,0,0,0,0|2,0,0]=4 8567 B11R0.30 CC(O)CNCCSCC(=O)O f401c3079724beebfa5102b1bc9f7d31 [1,1,0,0,0,0|2,0,0]=4 8568 B11R0.30 CC(S)COCCCCC(=O)N 18b84bbfb6600c34667d32a62b0e7a53 [1,1,0,0,0,0|2,0,0]=4 8569 B11R0.30 CC(S)COCCOCC(=O)O db8c52608dcfa5a992a428ced315853a [1,1,0,0,0,0|2,0,0]=4 8570 B11R0.30 CN(C)CCCCNCC(=O)O 8855c115c1b33e8ce75a926b90fdf8b8 [1,1,0,0,0,0|2,0,0]=4 8571 B11R0.30 CN(C)CCCCOCC(=O)O d265e1db0b6f83c239ab2b3a4a52c191 [1,1,0,0,0,0|2,0,0]=4 8572 B11R0.30 CN(C)CCCNCCC(=O)O c6fb3ebe76bb222e65fe8d7ec4c7a639 [1,1,0,0,0,0|2,0,0]=4 8573 B11R0.30 CN(C)CCCOCCC(=O)O 15c6f3353bf905a8332a6d46e9c7c5f8 [1,1,0,0,0,0|2,0,0]=4 8574 B11R0.30 CN(C)CCNCCCC(=O)O 68a1a348f692ea2d8ad9072e6f0f2252 [1,1,0,0,0,0|2,0,0]=4 8575 B11R0.30 CN(C)CNCCCCC(=O)O 591d0069729faa79c948e6c153da7f7a [1,1,0,0,0,0|2,0,0]=4 8576 B11R0.30 CN(C)COCCCCC(=O)O 20c7d94978f3b0abfb616ec30bf04664 [1,1,0,0,0,0|2,0,0]=4 8577 B11R0.30 C[C@@H](F)COCCCCC(=O)N 6d5c38af45ac42c78d648fe2763859fb [1,1,0,0,0,0|2,0,0]=4 8578 B11R0.30 C[C@@H](F)COCCOCC(=O)O 8a00426e588dde48ba1cda2c83918f23 [1,1,0,0,0,0|2,0,0]=4 8579 B11R0.30 C[C@@H](O)CCCCNCC(=O)N b4f78c7094b894b3b333d7e47750465b [1,1,0,0,0,0|2,0,0]=4 8580 B11R0.30 C[C@@H](O)CCCCNCC(=O)O 383e38e7bfaf5340113526b5bf38e00f [1,1,0,0,0,0|1,0,0]=3 8581 B11R0.30 C[C@@H](O)CCNCCCC(=O)N 13d94837b1f5c9d0a1b4a39b0bf3f2e7 [1,1,0,0,0,0|2,0,0]=4 8582 B11R0.30 C[C@@H](O)CCNCCCC(=O)O 9848f914bbdde66026dc5d82813febcd [1,1,0,0,0,0|1,0,0]=3 8583 B11R0.30 C[C@@H](O)CNCCCCC(=O)N 76a565e7de8c80e5ddec7d6fb2f6abed [1,1,0,0,0,0|2,0,0]=4 8584 B11R0.30 C[C@@H](O)CNCCCCC(=O)O fa7248fda5a7fc7c2d2e7dede51ec1b1 [1,1,0,0,0,0|1,0,0]=3 8585 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 57ab3e0fa31fdc565fe03fe66262ab63 [1,1,0,0,0,0|2,0,0]=4 8586 B11R0.30 C[C@H](F)COCCCCC(=O)N ed093c7554379d646dfaf0fcbc49bfd0 [1,1,0,0,0,0|2,0,0]=4 8587 B11R0.30 C[C@H](F)COCCOCC(=O)O fd18f700d6c0e042bbd8353f5df7307a [1,1,0,0,0,0|2,0,0]=4 8588 B11R0.30 C[C@H](O)CCNCCCC(=O)N 016626ad4b7b3065711c0c7d6dddc8f3 [1,1,0,0,0,0|2,0,0]=4 8589 B11R0.30 C[C@H](O)CCNCCCC(=O)O 0b4d40863c274eac47c210c41da2fdff [1,1,0,0,0,0|1,0,0]=3 8590 B11R0.30 C[C@H](O)CNCCCCC(=O)N ad502d43c30e4eb209eb593693528c81 [1,1,0,0,0,0|2,0,0]=4 8591 B11R0.30 C[C@H](O)CNCCCCC(=O)O 43b960b9894303888fc34352756603c5 [1,1,0,0,0,0|1,0,0]=3 8592 B11R0.30 C[C@H](O)CNCCOCC(=O)O e1f328cb6e5c4e620629ccc246d5e00e [1,1,0,0,0,0|2,0,0]=4 8593 B11R0.30 C[C@H](O)CNCCSCC(=O)O 637be1bdd2dd40c20ae6a4206931d368 [1,1,0,0,0,0|2,0,0]=4 8594 B11R0.30 O=C(O)CCCCNCC(F)F 9c223d8ce652d420b959b2f70513cc0a [1,1,0,0,0,0|2,0,0]=4 8595 B11R0.30 O=C(O)CCCCOCC(F)F 83d1f5b14fc879abdc48147fdec24ca2 [1,1,0,0,0,0|2,0,0]=4 8596 B11R0.30 O=C(O)CCCNCCC(F)F 2c1b3ef75bbe7cfd3b015e0f089f4ee6 [1,1,0,0,0,0|2,0,0]=4 8597 B11R0.30 O=C(O)CCCOCCC(F)F cca1cb0ac5d3c78ea3177449afc925bd [1,1,0,0,0,0|2,0,0]=4 8598 B11R0.30 O=C(O)CNCCCCC(F)F 7f071f6e392c7aeaadb036754b526099 [1,1,0,0,0,0|2,0,0]=4 8599 B11R0.40 C#CC(=O)NCCCCCCC 0eae3cad00dce1265569f39d62b75552 [1,1,0,0,0,0|2,0,0]=4 8600 B11R0.40 C=C(C=O)OCCCCCCC 5222448d8e72f81bee19037f75e00b4c [1,1,0,0,0,0|2,0,0]=4 8601 B11R0.40 C=C(CNCCCCCC)OC b50f3fa0913553bb25a4d41e332bf3c9 [1,1,0,0,0,0|2,0,0]=4 8602 B11R0.40 C=C(CO)CNCCCCCC 55d23f35995915afb4b436463be1bd8f [1,1,0,0,0,0|2,0,0]=4 8603 B11R0.40 C=C(COCCCCCC)OC 0b95e642e1e4df81a1841fb1104211cb [1,1,0,0,0,0|2,0,0]=4 8604 B11R0.40 C=CC(=O)CCCNCCCC bbe6cc9efa2cfede0189e258e7938747 [1,1,0,0,0,0|2,0,0]=4 8605 B11R0.40 C=CC(=O)CCCOCCCC 47940038721735bb278c8d355b063009 [1,1,0,0,0,0|2,0,0]=4 8606 B11R0.40 C=CC(=O)NCCCCCCC f1adb5880043356bf107a0e1433c2cec [1,1,0,0,0,0|2,0,0]=4 8607 B11R0.40 CCCCCCCCN(C)C=O 60df17e7bff532b45ddfc3473c76a602 [1,1,0,0,0,0|2,0,0]=4 8608 B11R0.40 CCCCCCCCN(C)CO fae3de65e7b8918f8c44c346d84947bf [1,1,0,0,0,0|2,0,0]=4 8609 B11R0.40 CCCCCCCNC(=O)C=O abee9ded1e7a7a6b29f3f186b2d24366 [1,1,0,0,0,0|1,0,1]=4 8610 B11R0.40 CCCCCCCNC(=O)CC 686f1ce47fd62528159d592ae6144fd0 [1,1,0,0,0,0|2,0,0]=4 8611 B11R0.40 CCCCCCCNC(=O)CF 406840209e6eaaa926c9723f43f43bb3 [1,1,0,0,0,0|2,0,0]=4 8612 B11R0.40 CCCCCCCNC(=O)CO 649c57dfd5f4fa0f4565341b8aa151e7 [1,1,0,0,0,0|1,0,0]=3 8613 B11R0.40 CCCCCCCNC(=O)CS 53771c9c8b167b3f7995337d22f4a6f9 [1,1,0,0,0,0|1,1,0]=4 8614 B11R0.40 CCCCCCNCC(=O)CC c8e5732d0f65da9c5c5b2a092b9f01ac [1,1,0,0,0,0|2,0,0]=4 8615 B11R0.40 CCCCCCNCC(=O)CO 22481f5647b4924598aea5bd39f61ac5 [1,1,0,0,0,0|1,0,0]=3 8616 B11R0.40 CCCCCCNCC(=O)NC 40b08a506355532a04de3945e21a62e5 [1,1,0,0,0,0|2,0,0]=4 8617 B11R0.40 CCCCCCNCC(=O)NO 70ed1d49a75a058f80d6cb8d6355c00e [1,1,0,0,0,0|1,0,0]=3 8618 B11R0.40 CCCCCCNCC(=O)OC b4b64d05ad9791105a1ead038a87d73e [1,1,0,0,0,0|1,0,0]=3 8619 B11R0.40 CCCCCCOCC(=O)CC adcf10a6b79c1dbe703e4ef32ea4d479 [1,1,0,0,0,0|2,0,0]=4 8620 B11R0.40 CCCCCCOCC(=O)NC 36fff55613dedf0508c95b9965e07157 [1,1,0,0,0,0|2,0,0]=4 8621 B11R0.40 CCCCCCOCC(=O)OC 09bff5c54ea2c2317e4ffa1248f416e4 [1,1,0,0,0,0|1,0,0]=3 8622 B11R0.40 CCCCCNCCC(=O)NC bf2880d61bf311927f37d9459b95311c [1,1,0,0,0,0|2,0,0]=4 8623 B11R0.40 CCCCCNCCC(=O)NO 0e3cd417c385fa2267d618895d9f197e [1,1,0,0,0,0|1,0,0]=3 8624 B11R0.40 CCCCCNCCC(=O)OC 528d03f621767c5da7a29df90a9b38b7 [1,1,0,0,0,0|1,0,0]=3 8625 B11R0.40 CCCCCNCOC(=O)OC 1a984734eabc63cd259d87fe0f6d0e3a [1,1,0,0,0,0|2,0,0]=4 8626 B11R0.40 CCCCCOCCC(=O)NC d53a8d398531b211866f279fd03bc27d [1,1,0,0,0,0|2,0,0]=4 8627 B11R0.40 CCCCCOCCC(=O)OC ccac832df9f8c79f4c2f2e191d935c4d [1,1,0,0,0,0|1,0,0]=3 8628 B11R0.40 CCCCCOCOC(=O)OC 8437c1266fb81e44453bd4eda59a8fa6 [1,1,0,0,0,0|2,0,0]=4 8629 B11R0.40 CCCCNCCCC(=O)NC 5ab58c06c9aebec88dfab837bc396f59 [1,1,0,0,0,0|2,0,0]=4 8630 B11R0.40 CCCCNCCCC(=O)OC af4a3bbabc42a3dd3e1785630a7ed514 [1,1,0,0,0,0|1,0,0]=3 8631 B11R0.40 CCCCOCCCC(=O)NC c2d274710c85b38a446478cdb547f403 [1,1,0,0,0,0|2,0,0]=4 8632 B11R0.40 CCCCOCCCC(=O)OC 2c00c25d55f4aed289459825ca6caf67 [1,1,0,0,0,0|1,0,0]=3 8633 B11R0.40 CCCCOCCNC(=O)CO 46d63bbe6e95cb3021fbf39dbedf64e4 [1,1,0,0,0,0|2,0,0]=4 8634 B11R0.40 CCCCOCCOC(=O)OC b231bf275b01e991c727c5357c04f648 [1,1,0,0,0,0|2,0,0]=4 8635 B11R0.40 CCCCOCNCC(=O)NO 09ac782899b5e5b3655f86eea50aeb0c [1,1,0,0,0,0|2,0,0]=4 8636 B11R0.40 CCCCOCNCC(=O)OC 730d997397b70287e85ae8c4a8daeadc [1,1,0,0,0,0|2,0,0]=4 8637 B11R0.40 CCCCOCOCC(=O)OC 946e25ac7c12d92c76f185574d681691 [1,1,0,0,0,0|2,0,0]=4 8638 B11R0.40 CCCNCCCCC(=O)CC a0ca041e30af7810958502bfc4beeb26 [1,1,0,0,0,0|2,0,0]=4 8639 B11R0.40 CCCNCCCCC(=O)OC 060557c49fc8b2682bce09dcecd26897 [1,1,0,0,0,0|1,0,0]=3 8640 B11R0.40 CCCNCCOCC(=O)OC 7d542560aee618cccb8ce15c1eff67f0 [1,1,0,0,0,0|2,0,0]=4 8641 B11R0.40 CCCOCCCCC(=O)CC 177be31e74ea458cdea2086674fce0ec [1,1,0,0,0,0|2,0,0]=4 8642 B11R0.40 CCCOCCCCC(=O)OC c38c96dc4e6815105987ed08074c5cd5 [1,1,0,0,0,0|1,0,0]=3 8643 B11R0.40 CCCOCCCNC(=O)CO a47934e78a1d20ef948dc30f597ef7f9 [1,1,0,0,0,0|2,0,0]=4 8644 B11R0.40 CCCOCCNCC(=O)CO 47b079dfc4b06824587236598da16550 [1,1,0,0,0,0|2,0,0]=4 8645 B11R0.40 CCCOCCNCC(=O)NO d792239503bd5ec0bb9e8a7cfbfc479f [1,1,0,0,0,0|2,0,0]=4 8646 B11R0.40 CCCOCCNCC(=O)OC dc4681ef40747337e3903e762819be10 [1,1,0,0,0,0|2,0,0]=4 8647 B11R0.40 CCCOCCOCC(=O)OC 64aebb87f3244a9d7b7f06c29592a387 [1,1,0,0,0,0|2,0,0]=4 8648 B11R0.40 CCCSCCOCC(=O)OC bfd9150e07503b75f145ebf21333d513 [1,1,0,0,0,0|2,0,0]=4 8649 B11R0.40 CCNCCCCCC(=O)OC 78bd529289af6b285c7f270dc69f9cc3 [1,1,0,0,0,0|1,0,0]=3 8650 B11R0.40 CCOCCCCCC(=O)OC 9b80041f3611c56f4bedd2a18eade3b1 [1,1,0,0,0,0|1,0,0]=3 8651 B11R0.40 CCOCCCNCC(=O)CO 38c5656cb2b027b7ffdf35a630aad082 [1,1,0,0,0,0|2,0,0]=4 8652 B11R0.40 CCOCCCNCC(=O)NO 51be6bc87a2f7ff8eb05461ef8175c26 [1,1,0,0,0,0|2,0,0]=4 8653 B11R0.40 CCOCCCNCC(=O)OC c7485a37569a461c52aa81ad8055e3b4 [1,1,0,0,0,0|2,0,0]=4 8654 B11R0.40 CCOCCCOCC(=O)OC 57dddf421e069c47297be6f52caa57fc [1,1,0,0,0,0|2,0,0]=4 8655 B11R0.40 CCOCCNCCC(=O)NO 47b978d3e7d87d74830d799207ceb727 [1,1,0,0,0,0|2,0,0]=4 8656 B11R0.40 CCOCCNCCC(=O)OC 9739503ab4bf541699a74f281c2e2b9c [1,1,0,0,0,0|2,0,0]=4 8657 B11R0.40 CCOCCOCCC(=O)OC b15bdf82e04bdb738b2e374226a2be54 [1,1,0,0,0,0|2,0,0]=4 8658 B11R0.40 CCOCNCCCC(=O)OC 46be0dc6a2fa53d0e3dcfb4db7331cb1 [1,1,0,0,0,0|2,0,0]=4 8659 B11R0.40 CCSCCCCNC(=O)CO 3d767f9c997321d233814d207e1ee524 [1,1,0,0,0,0|2,0,0]=4 8660 B11R0.40 CCSCCCNCC(=O)NO 8d518ac43899a5c80d0e06dd1ac77e47 [1,1,0,0,0,0|2,0,0]=4 8661 B11R0.40 CCSCCCNCC(=O)OC d693d460276bdecc5b8f625d27e28722 [1,1,0,0,0,0|2,0,0]=4 8662 B11R0.40 CCSCCCOCC(=O)OC 3e5dce16e86bb76e36032bc19e30b6c4 [1,1,0,0,0,0|2,0,0]=4 8663 B11R0.40 CCSCCNCCC(=O)NO 5ec51ed13ab38566690412a74ee47be9 [1,1,0,0,0,0|2,0,0]=4 8664 B11R0.40 CCSCCNCCC(=O)OC 06a359cc9c842e83d31563a3d685e384 [1,1,0,0,0,0|2,0,0]=4 8665 B11R0.40 CCSCCOCCC(=O)OC 3a5d46de8a20f41384df05397c6e099d [1,1,0,0,0,0|2,0,0]=4 8666 B11R0.40 COC(=O)CCCCCNCF 2fdeafd19615aabdfecac65c7ee85598 [1,1,0,0,0,0|2,0,0]=4 8667 B11R0.40 COC(=O)CCCCCNCO af7eaee93a3fef3c4544e48a16c6e56f [1,1,0,0,0,0|2,0,0]=4 8668 B11R0.40 COC(=O)CCCCCOCF 3b8a2ff8fc1bef6bde3b7c835f3e6a30 [1,1,0,0,0,0|2,0,0]=4 8669 B11R0.40 COC(=O)CCCCNCCBr 389a9425bed3fc47018de90353426cdc [1,1,0,0,0,0|2,0,0]=4 8670 B11R0.40 COC(=O)CCCCNCCF acdfcaf980a2e2514f502844739bd67a [1,1,0,0,0,0|2,0,0]=4 8671 B11R0.40 COC(=O)CCCCNCCI 8fc5f158498fb34376eecf1a634e8fc5 [1,1,0,0,0,0|2,0,0]=4 8672 B11R0.40 COC(=O)CCCCNCCO e7f0e01865858a91030334a948df571f [1,1,0,0,0,0|2,0,0]=4 8673 B11R0.40 COC(=O)CCCCNCCS 530b407c8654dbd48105c768dba745e8 [1,1,0,0,0,0|2,0,0]=4 8674 B11R0.40 COC(=O)CCCCNCSC a8830018c591017122980cf3745fb50b [1,1,0,0,0,0|2,0,0]=4 8675 B11R0.40 COC(=O)CCCCOCCF 1d20051be253a43f413739bd5e7398e1 [1,1,0,0,0,0|2,0,0]=4 8676 B11R0.40 COC(=O)CCCCOCCS 5f146b13f8bc53f0b1d9f8770994d494 [1,1,0,0,0,0|2,0,0]=4 8677 B11R0.40 COC(=O)CCCCOCSC 0863b97c6be13255d8906e28183b8659 [1,1,0,0,0,0|2,0,0]=4 8678 B11R0.40 COC(=O)CCCNCCCCl 8508da7d6b43fa27c5046753d4a650fb [1,1,0,0,0,0|2,0,0]=4 8679 B11R0.40 COC(=O)CCCNCCCF c509034befe6b0b71c5e6bf9f704b220 [1,1,0,0,0,0|2,0,0]=4 8680 B11R0.40 COC(=O)CCCNCCCO ae78a0866713110e761cbc6c0669803d [1,1,0,0,0,0|2,0,0]=4 8681 B11R0.40 COC(=O)CCCNCCCS b8568108aca169fbbea4b0e8d5dcbc4d [1,1,0,0,0,0|2,0,0]=4 8682 B11R0.40 COC(=O)CCCNCCSC 6bea0abab707a37e0a3725effd1a3095 [1,1,0,0,0,0|2,0,0]=4 8683 B11R0.40 COC(=O)CCCOCCCF ad4a657375774e174695b5c380767605 [1,1,0,0,0,0|2,0,0]=4 8684 B11R0.40 COC(=O)CCCOCCCS 614db15c725c13d73ce896e4a3526258 [1,1,0,0,0,0|2,0,0]=4 8685 B11R0.40 COC(=O)CCCOCCSC a532869a6a9d1335d72148f96ad99d09 [1,1,0,0,0,0|2,0,0]=4 8686 B11R0.40 COC(=O)CCNCCCCCl bb826384e531e4c800eddcc5d242e17f [1,1,0,0,0,0|2,0,0]=4 8687 B11R0.40 COC(=O)CCNCCCCF d4b42e07dbe86fc7a477b2dc03e98869 [1,1,0,0,0,0|2,0,0]=4 8688 B11R0.40 COC(=O)CCNCCCCO 01547e1a5ff564f49609eb19c19b3246 [1,1,0,0,0,0|2,0,0]=4 8689 B11R0.40 COC(=O)CCNCCCCS e5445b20c264ac106343d36efa453bce [1,1,0,0,0,0|2,0,0]=4 8690 B11R0.40 COC(=O)CCNCCCSC f634b170aff4c9918b899afbd28dc77d [1,1,0,0,0,0|2,0,0]=4 8691 B11R0.40 COC(=O)CCOCCCCF fdd63d188c06e45bc0534668d783c9fe [1,1,0,0,0,0|2,0,0]=4 8692 B11R0.40 COC(=O)CCOCCCCS 3b9308a913cffb35eed8fd20b29ba3e8 [1,1,0,0,0,0|2,0,0]=4 8693 B11R0.40 COC(=O)CCOCCCSC b26f1a53d0c30e5fe57fe463fe93b69e [1,1,0,0,0,0|2,0,0]=4 8694 B11R0.40 COC(=O)CNCCCCCCl 0c1d69aaf18f86e286dc851d6b343161 [1,1,0,0,0,0|2,0,0]=4 8695 B11R0.40 COC(=O)CNCCCCCF 820ed3e8b866d3514f6760b96b1f6d43 [1,1,0,0,0,0|2,0,0]=4 8696 B11R0.40 COC(=O)CNCCCCCO 5569fb90468880f109cc36d64e9a9a82 [1,1,0,0,0,0|2,0,0]=4 8697 B11R0.40 COC(=O)CNCCCCSC b2c17859876c00fe792d17efa257daec [1,1,0,0,0,0|2,0,0]=4 8698 B11R0.40 COC(=O)COCCCCCF cba36326a78ca1f965959e137fb7ac72 [1,1,0,0,0,0|2,0,0]=4 8699 B11R0.40 COC(=O)COCCCCSC 447c9e188b6f6e43d32a8bc9d652b2ad [1,1,0,0,0,0|2,0,0]=4 8700 B11R0.40 COCCCCCNC(=O)CO 60d8072e5d6484d79910c980a11ba8d6 [1,1,0,0,0,0|2,0,0]=4 8701 B11R0.40 COCCCCNCC(=O)CO 31d44522c7c4c00441905fa4da232bdc [1,1,0,0,0,0|2,0,0]=4 8702 B11R0.40 COCCCCNCC(=O)NO fd2162f73e9d0d4e3a5103bac2a81c2b [1,1,0,0,0,0|2,0,0]=4 8703 B11R0.40 COCCCCNCC(=O)OC 047baeb57289bf0885885f64979f4866 [1,1,0,0,0,0|2,0,0]=4 8704 B11R0.40 COCCCCOCC(=O)OC 931b9f10ba823e1596417b22b927de75 [1,1,0,0,0,0|2,0,0]=4 8705 B11R0.40 COCCCNCCC(=O)NO c35235a4170548ef0720a7bd9f0f4d9a [1,1,0,0,0,0|2,0,0]=4 8706 B11R0.40 COCCCNCCC(=O)OC e306541eb8340983226a2af15f8dfebb [1,1,0,0,0,0|2,0,0]=4 8707 B11R0.40 COCCCOCCC(=O)OC b4f1d1de8127af98e6f242234cd1ea0e [1,1,0,0,0,0|2,0,0]=4 8708 B11R0.40 COCCNCCCC(=O)OC 83cc4d7e4535f097edd93f9c804c386b [1,1,0,0,0,0|2,0,0]=4 8709 B11R0.40 COCCOCCCC(=O)OC 99cf3628ca871405b6cc15b92d3d5b58 [1,1,0,0,0,0|2,0,0]=4 8710 B11R0.40 COCNCCCCC(=O)OC ca301f2e53472380737e2e1a16df5a62 [1,1,0,0,0,0|2,0,0]=4 8711 B11R0.40 COCOCCCCC(=O)OC 46187c7866992bbcae1859b32e6d100b [1,1,0,0,0,0|2,0,0]=4 8712 B11R0.40 CSCCCCNCC(=O)CO f2fd79f1ccfc8ac07d50685faaa51616 [1,1,0,0,0,0|2,0,0]=4 8713 B11R0.40 CSCCCNCCC(=O)NO 2bec89b82578902d80c13d5145e68444 [1,1,0,0,0,0|2,0,0]=4 8714 B11R0.40 O=C(CCNCCCCF)NO 017670fe7ceb2cab251c80df3081b80f [1,1,0,0,0,0|2,0,0]=4 8715 B11R0.40 O=C(CCNCCCCO)NO a88ee6183f2279d0ef7955aee8b5390f [1,1,0,0,0,0|2,0,0]=4 8716 B11R0.40 O=C(CNCCCCCF)NO bb2e68b122e81136ef69349e61ee5e9c [1,1,0,0,0,0|2,0,0]=4 8717 B11R0.40 O=C(CNCCCCCO)NO 147cd889eb10e26d74dc067964e2b2a2 [1,1,0,0,0,0|2,0,0]=4 8718 B11R0.40 O=C(CO)CNCCCCCCl 606a142a4758e981892716dfd004ff3b [1,1,0,0,0,0|2,0,0]=4 8719 B11R0.40 O=C(CO)CNCCCCCO dd2db0edcecc3767d3c9d40443d3d1ae [1,1,0,0,0,0|2,0,0]=4 8720 B11R0.40 O=C(CO)NCCCCCCCl dbfc21936551b9a9fe635f023097f8d4 [1,1,0,0,0,0|2,0,0]=4 8721 B11R0.40 O=C(CO)NCCCCCCO 7bfceec3914389840f05d685c72f8368 [1,1,0,0,0,0|2,0,0]=4 8722 B11R0.42 C=C(CNCCCCC)C(=O)O 3961ad8178fe871479ff4ea92189d193 [1,1,0,0,0,0|1,0,1]=4 8723 B11R0.42 C=C(COCCCCC)C(=O)O b11d9270348f2e3567924ca4886b501a [1,1,0,0,0,0|1,0,1]=4 8724 B11R0.42 CC(CCCNCCBr)C(=O)O f993012066c5246b198ccbd0d901dad3 [1,1,0,0,0,0|2,0,0]=4 8725 B11R0.42 CC(CCCNCCF)C(=O)O 0a58968733c5578ba00df270f8b683f9 [1,1,0,0,0,0|2,0,0]=4 8726 B11R0.42 CC(CCCNCCI)C(=O)O 4387609a1933463348bbdedc5c2acb5f [1,1,0,0,0,0|2,0,0]=4 8727 B11R0.42 CC(CCCNCCO)C(=O)O 5399f2a28bf18de06d42c9bec805fd96 [1,1,0,0,0,0|2,0,0]=4 8728 B11R0.42 CC(CCCNCCS)C(=O)O 10670fe7f9f6b8515ea82a6322840ae3 [1,1,0,0,0,0|2,0,0]=4 8729 B11R0.42 CC(CCCOCCF)C(=O)O 5b703a09be3689cf6d24114b38e7f575 [1,1,0,0,0,0|2,0,0]=4 8730 B11R0.42 CC(CCCOCCS)C(=O)O 0b39aaa3468af1cff8546b1bf363f6ef [1,1,0,0,0,0|2,0,0]=4 8731 B11R0.42 CC(CNCCCCCl)C(=O)O d9a9a3d5798f61652990c93457d2ee04 [1,1,0,0,0,0|2,0,0]=4 8732 B11R0.42 CC(CNCCCCF)C(=O)O ad006fcc6fdb92c3bf8db9ca1c4a4984 [1,1,0,0,0,0|2,0,0]=4 8733 B11R0.42 CC(CNCCCCO)C(=O)O 51dec7e27fa7da6558a4218a5b3c02c0 [1,1,0,0,0,0|2,0,0]=4 8734 B11R0.42 CC(CNCCCCS)C(=O)O fd3127d41f8d19526de4b5cf8d0e9082 [1,1,0,0,0,0|2,0,0]=4 8735 B11R0.42 CC(COCCCCF)C(=O)O 36e6a15f06e34ceb655797ee41f963d2 [1,1,0,0,0,0|2,0,0]=4 8736 B11R0.42 CC(COCCCCS)C(=O)O 80a102b471ea2a87f600ee611a224060 [1,1,0,0,0,0|2,0,0]=4 8737 B11R0.42 CC(NCCCCCCl)C(=O)O 367ae711b8cbab97d33b7930fa5b93a4 [1,1,0,0,0,0|2,0,0]=4 8738 B11R0.42 CC(NCCCCCF)C(=O)O 61170dc10b3ff42752f4221c6fa290bf [1,1,0,0,0,0|2,0,0]=4 8739 B11R0.42 CC(NCCCCCO)C(=O)O fc4381ef531faf41d073a6c02bce2035 [1,1,0,0,0,0|2,0,0]=4 8740 B11R0.42 CC(OCCCCCF)C(=O)O 635dad89702c82dc68f6fea8c076366e [1,1,0,0,0,0|2,0,0]=4 8741 B11R0.42 CCCCCCCN(C)C(=O)C 1f4b637e30d478d227f74fe9a9d54418 [1,1,0,0,0,0|2,0,0]=4 8742 B11R0.42 CCCCCCNC(C)C(=O)C 7e4aea5d747cb726d6c6aeddee61064c [1,1,0,0,0,0|2,0,0]=4 8743 B11R0.42 CCCCCCNC(C)C(=O)N 484037d24d3f5ceff502583ee1a0cbed [1,1,0,0,0,0|2,0,0]=4 8744 B11R0.42 CCCCCCNC(C)C(=O)O 50bfa12bfc8c95b1997dd92553c2e32b [1,1,0,0,0,0|1,0,0]=3 8745 B11R0.42 CCCCCCNC(O)C(=O)O d5631789bd7704646a19262486df8915 [1,1,0,0,0,0|1,0,0]=3 8746 B11R0.42 CCCCCCN[C@@H](C)C(=O)N 7f3c9c3f8b9bf2b3448788715be47164 [1,1,0,0,0,0|2,0,0]=4 8747 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 395de785801e54e5b92d8ae30cfb56de [1,1,0,0,0,0|1,0,0]=3 8748 B11R0.42 CCCCCCN[C@H](C)C(=O)N 548e802d09ec758dd6a4f4b847da2e70 [1,1,0,0,0,0|2,0,0]=4 8749 B11R0.42 CCCCCCN[C@H](C)C(=O)O 49da1238680c9629cec61a676283fa13 [1,1,0,0,0,0|1,0,0]=3 8750 B11R0.42 CCCCCCOC(C)C(=O)C 3bdd6256cac5c3ad22aec5aadbdcce6a [1,1,0,0,0,0|2,0,0]=4 8751 B11R0.42 CCCCCCOC(C)C(=O)N 94ae347361ad2308803adc672c9ae2d7 [1,1,0,0,0,0|2,0,0]=4 8752 B11R0.42 CCCCCCOC(C)C(=O)O ba21e8aa3b32a1583572a63691edc513 [1,1,0,0,0,0|1,0,0]=3 8753 B11R0.42 CCCCCCOC(F)C(=O)N 060c7586a654fa212600a62b52281c38 [1,1,0,0,0,0|2,0,0]=4 8754 B11R0.42 CCCCCCOC(F)C(=O)O 6513d7d3184867dd4d6531ac1435f34c [1,1,0,0,0,0|1,0,0]=3 8755 B11R0.42 CCCCCCO[C@@H](C)C(=O)N 14fa7620d8e265665a9c21bf35a3b0d0 [1,1,0,0,0,0|2,0,0]=4 8756 B11R0.42 CCCCCCO[C@@H](C)C(=O)O 71ae583b09335f51d5b93320f22a9636 [1,1,0,0,0,0|1,0,0]=3 8757 B11R0.42 CCCCCCO[C@@H](F)C(=O)O bc9bab01eee21fa811102268d0d068e6 [1,1,0,0,0,0|1,0,0]=3 8758 B11R0.42 CCCCCCO[C@H](C)C(=O)N cd1fa55577a354aad490c80dbc24b4ac [1,1,0,0,0,0|2,0,0]=4 8759 B11R0.42 CCCCCCO[C@H](C)C(=O)O 30eec93387a99e6543ce01b336b219ad [1,1,0,0,0,0|1,0,0]=3 8760 B11R0.42 CCCCCNCC(=O)C(=O)O 334ba3ab0d0b0c071ce9583c7fda34fb [1,1,0,0,0,0|1,0,1]=4 8761 B11R0.42 CCCCCNCC(C)C(=O)O d7ab8a865b04f3ca26ed1bb56f29829b [1,1,0,0,0,0|1,0,0]=3 8762 B11R0.42 CCCCCNCC(F)C(=O)O 6dd9378b212fed9498da6f1ac0af33ab [1,1,0,0,0,0|1,0,0]=3 8763 B11R0.42 CCCCCNCC(O)C(=O)O 4e5cb041e0083e3d17fdc334715c0c74 [1,1,0,0,0,0|1,0,0]=3 8764 B11R0.42 CCCCCNC[C@@H](C)C(=O)O 3e8b2dbf5e151483377f52c4aa7ca0f3 [1,1,0,0,0,0|1,0,0]=3 8765 B11R0.42 CCCCCNC[C@@H](O)C(=O)O 7c3f58b6f5b64e5c04dcd3ba9159f99b [1,1,0,0,0,0|1,0,0]=3 8766 B11R0.42 CCCCCNC[C@H](C)C(=O)O 906bee280cec00a604dd42f884ea0431 [1,1,0,0,0,0|1,0,0]=3 8767 B11R0.42 CCCCCNC[C@H](O)C(=O)O 116e84833776cfa4df322a97659aa73d [1,1,0,0,0,0|1,0,0]=3 8768 B11R0.42 CCCCCOCC(C)C(=O)C 07792cad239f223a05f4315ca1c284a9 [1,1,0,0,0,0|2,0,0]=4 8769 B11R0.42 CCCCCOCC(C)C(=O)O abdc6858bb4bef1d08a29ea26aabc6cc [1,1,0,0,0,0|1,0,0]=3 8770 B11R0.42 CCCCCOC[C@@H](C)C(=O)O c0e8d04b997b71c90836c735580fb74d [1,1,0,0,0,0|1,0,0]=3 8771 B11R0.42 CCCCCOC[C@H](C)C(=O)O e68c2b0f49fdf9ce2ac4956f8f5292fa [1,1,0,0,0,0|1,0,0]=3 8772 B11R0.42 CCCCNCCC(F)C(=O)O 8e9109fc2b84600842974fef2be5abe0 [1,1,0,0,0,0|1,0,0]=3 8773 B11R0.42 CCCCNCCC(O)C(=O)O c62833d2767c42162c05c00866c68c67 [1,1,0,0,0,0|1,0,0]=3 8774 B11R0.42 CCCCNCC[C@H](O)C(=O)O b87f453e24319785102f4b7103d302e5 [1,1,0,0,0,0|1,0,0]=3 8775 B11R0.42 CCCCOCNC(C)C(=O)O dd1c2e6b40df25128237554fe8a11a20 [1,1,0,0,0,0|2,0,0]=4 8776 B11R0.42 CCCCOCNC(O)C(=O)O bec0f288a99288fca8c501ef5a2b1ecb [1,1,0,0,0,0|2,0,0]=4 8777 B11R0.42 CCCCOCN[C@@H](C)C(=O)O f4b674403ef12311704563aca14336c6 [1,1,0,0,0,0|2,0,0]=4 8778 B11R0.42 CCCCOCN[C@H](C)C(=O)O 9a1a825256efd252e655519ec5ea28b4 [1,1,0,0,0,0|2,0,0]=4 8779 B11R0.42 CCCCOCOC(C)C(=O)O e00b5dbfb824b82703cb60cbf59eb726 [1,1,0,0,0,0|2,0,0]=4 8780 B11R0.42 CCCCOCO[C@@H](C)C(=O)O 36e4ac67205a23dc06dda7aca96777f3 [1,1,0,0,0,0|2,0,0]=4 8781 B11R0.42 CCCCOCO[C@H](C)C(=O)O 713cbe85378d7893134abd0784f2e7dc [1,1,0,0,0,0|2,0,0]=4 8782 B11R0.42 CCCNCCCC(C)C(=O)O 9a4c115d144a60b49341a6de4b76f6c9 [1,1,0,0,0,0|1,0,0]=3 8783 B11R0.42 CCCOCCCC(C)C(=O)O 01585b70a1b61ec5a4fd8b0afc139c7c [1,1,0,0,0,0|1,0,0]=3 8784 B11R0.42 CCCOCCNC(C)C(=O)O 8812f31379f9e7713bf49bab75a3cdc1 [1,1,0,0,0,0|2,0,0]=4 8785 B11R0.42 CCCOCCNC(O)C(=O)O 8209e23fd595be82eccb124a5adcf510 [1,1,0,0,0,0|2,0,0]=4 8786 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 619acb0b7fdaaea81f4f2b00805a6730 [1,1,0,0,0,0|2,0,0]=4 8787 B11R0.42 CCCOCCN[C@H](C)C(=O)O 563d0e1cf61c96322f7998d3bfe3525b [1,1,0,0,0,0|2,0,0]=4 8788 B11R0.42 CCCOCCOC(C)C(=O)O 27bd20e7861823124435e8f3d7e47b08 [1,1,0,0,0,0|2,0,0]=4 8789 B11R0.42 CCCOCCOC(F)C(=O)O be48e54337242fe90dc153c8aacefc14 [1,1,0,0,0,0|2,0,0]=4 8790 B11R0.42 CCCOCCO[C@@H](C)C(=O)O 99ee572159415168f9c8b34f3d253eb5 [1,1,0,0,0,0|2,0,0]=4 8791 B11R0.42 CCCOCCO[C@@H](F)C(=O)O fab335d12596d3988a79cad82fc09bf8 [1,1,0,0,0,0|2,0,0]=4 8792 B11R0.42 CCCOCCO[C@H](C)C(=O)O 893bde31e15274035e8abc0064c8eca5 [1,1,0,0,0,0|2,0,0]=4 8793 B11R0.42 CCNCCSCC(C)C(=O)O 452176978f69fa0d7e5b6a73b1ca572a [1,1,0,0,0,0|2,0,0]=4 8794 B11R0.42 CCOCCCNC(C)C(=O)O ea437b1016955596decb70b0fa5de4ac [1,1,0,0,0,0|2,0,0]=4 8795 B11R0.42 CCOCCCNC(O)C(=O)O 786cb6f46da4ccb5b109f3a51cacf1ac [1,1,0,0,0,0|2,0,0]=4 8796 B11R0.42 CCOCCCN[C@@H](C)C(=O)O c46c84723da8cbb70e28953dd8be3ec1 [1,1,0,0,0,0|2,0,0]=4 8797 B11R0.42 CCOCCCN[C@H](C)C(=O)O c1ac2c4495025aeaf95b84ff555a7f44 [1,1,0,0,0,0|2,0,0]=4 8798 B11R0.42 CCOCCCOC(C)C(=O)O d8f78446814d8dfe036a987f6428917f [1,1,0,0,0,0|2,0,0]=4 8799 B11R0.42 CCOCCCOC(F)C(=O)O 97087b4488061dacdc1774c9d7ba100b [1,1,0,0,0,0|2,0,0]=4 8800 B11R0.42 CCOCCCO[C@@H](C)C(=O)O dbeb857030fda9dcaf65d75f68c28364 [1,1,0,0,0,0|2,0,0]=4 8801 B11R0.42 CCOCCCO[C@@H](F)C(=O)O 956ebb7669275079117e6ebebed08e1b [1,1,0,0,0,0|2,0,0]=4 8802 B11R0.42 CCOCCCO[C@H](C)C(=O)O da27f95b330a599ace12ccee2f4b514f [1,1,0,0,0,0|2,0,0]=4 8803 B11R0.42 CCOCCNCC(C)C(=O)O ba62020594f8bfe8dc576f6a3c10d854 [1,1,0,0,0,0|2,0,0]=4 8804 B11R0.42 CCOCCNCC(F)C(=O)O 8db88f68b1580bffc6a9d41b33da9665 [1,1,0,0,0,0|2,0,0]=4 8805 B11R0.42 CCOCCNCC(O)C(=O)O 6835b7b605a62cf5036ee3aba8058ce9 [1,1,0,0,0,0|2,0,0]=4 8806 B11R0.42 CCOCCNC[C@@H](C)C(=O)O 4c3c88fbc19ee6fcdf7ddc2e4dc35b05 [1,1,0,0,0,0|2,0,0]=4 8807 B11R0.42 CCOCCNC[C@@H](O)C(=O)O fef4b1ca898c2c1efeb5dae21f830d42 [1,1,0,0,0,0|2,0,0]=4 8808 B11R0.42 CCOCCNC[C@H](C)C(=O)O 7ba2f4861316c3d892d6eb1a4a2f2a7d [1,1,0,0,0,0|2,0,0]=4 8809 B11R0.42 CCOCCNC[C@H](O)C(=O)O 3cf3206adbcff22ac0ef8aaf4985ea86 [1,1,0,0,0,0|2,0,0]=4 8810 B11R0.42 CCOCCOCC(C)C(=O)O 155b2a5823a8f3026945da0792f46932 [1,1,0,0,0,0|2,0,0]=4 8811 B11R0.42 CCOCCOC[C@@H](C)C(=O)O ef2905f75b33faf9aeb7eb45c8b2fb96 [1,1,0,0,0,0|2,0,0]=4 8812 B11R0.42 CCOCCOC[C@H](C)C(=O)O b6ca21952b6835c9c0827ac64e329f63 [1,1,0,0,0,0|2,0,0]=4 8813 B11R0.42 CCOCNCCC(F)C(=O)O 1f43b89032ed04d79bef3c4f8be92567 [1,1,0,0,0,0|2,0,0]=4 8814 B11R0.42 CCOCNCCC(O)C(=O)O b929db6d6ea8904de209975322d72e31 [1,1,0,0,0,0|2,0,0]=4 8815 B11R0.42 CCOCNCC[C@H](O)C(=O)O 791034ba2e2b3d1924e43203dd9c639c [1,1,0,0,0,0|2,0,0]=4 8816 B11R0.42 CCSCCCNC(C)C(=O)O a0284e02a0674a75ac3eaaab84e34be8 [1,1,0,0,0,0|2,0,0]=4 8817 B11R0.42 CCSCCCN[C@@H](C)C(=O)O 3e3afcff1d0c6a0976e0558fcb42e749 [1,1,0,0,0,0|2,0,0]=4 8818 B11R0.42 CCSCCCN[C@H](C)C(=O)O 0c3c6c27eed19fd9e4ebdd8430777e2b [1,1,0,0,0,0|2,0,0]=4 8819 B11R0.42 CCSCCCOC(F)C(=O)O d8ab0c564c3fae0daec78529eaea0d08 [1,1,0,0,0,0|2,0,0]=4 8820 B11R0.42 CCSCCCO[C@@H](F)C(=O)O 174ae2854e683d69ed5185c4c9a10166 [1,1,0,0,0,0|2,0,0]=4 8821 B11R0.42 CCSCCNCC(C)C(=O)O a168d8ad1cc5a4b07e1c46ffe9cf77c1 [1,1,0,0,0,0|2,0,0]=4 8822 B11R0.42 CCSCCNCC(O)C(=O)O 463a9bfb046b2665a112740d0107f59d [1,1,0,0,0,0|2,0,0]=4 8823 B11R0.42 CCSCCNC[C@@H](C)C(=O)O b21e10c15a3c6964bd5ec91e3a929c8b [1,1,0,0,0,0|2,0,0]=4 8824 B11R0.42 CCSCCNC[C@@H](O)C(=O)O 079d401cbe0c44607dd5b4499348e3f0 [1,1,0,0,0,0|2,0,0]=4 8825 B11R0.42 CCSCCNC[C@H](C)C(=O)O 14bb2966c86914dff37b6d898f8e3f79 [1,1,0,0,0,0|2,0,0]=4 8826 B11R0.42 CCSCCNC[C@H](O)C(=O)O 4d5f6ea994dcd1426abe0f9ff1015da4 [1,1,0,0,0,0|2,0,0]=4 8827 B11R0.42 CCSCCOCC(C)C(=O)O 32b1d30660dbc5987634f8e92aef576c [1,1,0,0,0,0|2,0,0]=4 8828 B11R0.42 CCSCCOC[C@@H](C)C(=O)O 731d7d3a8a81e285bedc64bf5a41f83c [1,1,0,0,0,0|2,0,0]=4 8829 B11R0.42 CCSCCOC[C@H](C)C(=O)O b981ab05eb57c033f56d420dbc083db1 [1,1,0,0,0,0|2,0,0]=4 8830 B11R0.42 COCCCCNC(C)C(=O)O 795b835973e09851d1e77160d90df076 [1,1,0,0,0,0|2,0,0]=4 8831 B11R0.42 COCCCCNC(O)C(=O)O 357ae496a9867146d2285273bd8a801a [1,1,0,0,0,0|2,0,0]=4 8832 B11R0.42 COCCCCN[C@@H](C)C(=O)O cde845b286112be32cf13ea09a353337 [1,1,0,0,0,0|2,0,0]=4 8833 B11R0.42 COCCCCN[C@H](C)C(=O)O e42f27da828968aa140138840b221a9b [1,1,0,0,0,0|2,0,0]=4 8834 B11R0.42 COCCCCOC(C)C(=O)O b1d42aa6564426514df3b6f43ff0c358 [1,1,0,0,0,0|2,0,0]=4 8835 B11R0.42 COCCCCO[C@@H](C)C(=O)O 8aa9a5cc4dfab598da8180a5288ef73e [1,1,0,0,0,0|2,0,0]=4 8836 B11R0.42 COCCCCO[C@H](C)C(=O)O 41dbaf020ee9dbb37f590c108993f007 [1,1,0,0,0,0|2,0,0]=4 8837 B11R0.42 COCCCNCC(C)C(=O)O 3388ea82e39b7432d41f4175d2b2f2ee [1,1,0,0,0,0|2,0,0]=4 8838 B11R0.42 COCCCNCC(F)C(=O)O cba8f7a7b731a9eb6dd1fd4f39f08783 [1,1,0,0,0,0|2,0,0]=4 8839 B11R0.42 COCCCNCC(O)C(=O)O 19d080e0d3cbbaa42b7c6ba56b81128e [1,1,0,0,0,0|2,0,0]=4 8840 B11R0.42 COCCCNC[C@@H](C)C(=O)O 6c824a593f65cdd27264b1588667cd38 [1,1,0,0,0,0|2,0,0]=4 8841 B11R0.42 COCCCNC[C@@H](O)C(=O)O 6a350ee00508814a45aaa2fcc2d87bcd [1,1,0,0,0,0|2,0,0]=4 8842 B11R0.42 COCCCNC[C@H](C)C(=O)O 0473a721fcc4ccd15ba3bf11912c1411 [1,1,0,0,0,0|2,0,0]=4 8843 B11R0.42 COCCCNC[C@H](O)C(=O)O 154c99cf10f86f052fbaa4228cd3fc28 [1,1,0,0,0,0|2,0,0]=4 8844 B11R0.42 COCCCOCC(C)C(=O)O 9ae5b5e1cf1c541acb43ca29a0304d10 [1,1,0,0,0,0|2,0,0]=4 8845 B11R0.42 COCCCOC[C@@H](C)C(=O)O 38d352b91c9d6e667ee310443da69588 [1,1,0,0,0,0|2,0,0]=4 8846 B11R0.42 COCCCOC[C@H](C)C(=O)O acb048afeb72f87502227e7bc41c363e [1,1,0,0,0,0|2,0,0]=4 8847 B11R0.42 COCCNCCC(F)C(=O)O 900384e53f5c442345a6637cdd20cb43 [1,1,0,0,0,0|2,0,0]=4 8848 B11R0.42 COCCNCCC(O)C(=O)O 0bf040f190e7553ca9b378c80dd7df11 [1,1,0,0,0,0|2,0,0]=4 8849 B11R0.42 COCCNCC[C@H](O)C(=O)O 0afbdde900ee8924298d7bb9a2d6fb34 [1,1,0,0,0,0|2,0,0]=4 8850 B11R0.42 COCOCCCC(C)C(=O)O ba3042b1b438dfb9777f8f98a224c4a8 [1,1,0,0,0,0|2,0,0]=4 8851 B11R0.42 CSCCCCNC(C)C(=O)O 98b4bbeee5c0eb078f9b09272c7d7bd6 [1,1,0,0,0,0|2,0,0]=4 8852 B11R0.42 CSCCCCN[C@@H](C)C(=O)O 8c8f52459919f4e05fb2d9c792674bb7 [1,1,0,0,0,0|2,0,0]=4 8853 B11R0.42 CSCCCCN[C@H](C)C(=O)O ec352ad81edbb74eb46d04f5cc35879c [1,1,0,0,0,0|2,0,0]=4 8854 B11R0.42 CSCCCNCC(C)C(=O)O c00be7767c9c18f1b27709ca240e5e74 [1,1,0,0,0,0|2,0,0]=4 8855 B11R0.42 CSCCCNCC(F)C(=O)O 8ab2e5c6c74946ef335772d15ac74805 [1,1,0,0,0,0|2,0,0]=4 8856 B11R0.42 CSCCCNCC(O)C(=O)O 7ec5092fd20727b5faaae842fa4d0e97 [1,1,0,0,0,0|2,0,0]=4 8857 B11R0.42 CSCCCNC[C@@H](C)C(=O)O 8e37bf59c9c6e3875201ef951a0c1ff1 [1,1,0,0,0,0|2,0,0]=4 8858 B11R0.42 CSCCCNC[C@@H](O)C(=O)O fd8be8a9ff98adab905bf6ca8f247c9f [1,1,0,0,0,0|2,0,0]=4 8859 B11R0.42 CSCCCNC[C@H](C)C(=O)O 3ea8267e8f553011966e3f22026ec54c [1,1,0,0,0,0|2,0,0]=4 8860 B11R0.42 CSCCCNC[C@H](O)C(=O)O 8451b8a066c55338989bcd5840268df3 [1,1,0,0,0,0|2,0,0]=4 8861 B11R0.42 CSCCCOCC(C)C(=O)O 82401c6ac95b4b4e1234874ad2b94d70 [1,1,0,0,0,0|2,0,0]=4 8862 B11R0.42 CSCCCOC[C@@H](C)C(=O)O 369a6e04dbfd9415630b8ff7d5feb2e1 [1,1,0,0,0,0|2,0,0]=4 8863 B11R0.42 CSCCCOC[C@H](C)C(=O)O 2b720c2c8c33952ed9e2bdbf099b7c4a [1,1,0,0,0,0|2,0,0]=4 8864 B11R0.42 CSCCNCCC(F)C(=O)O b9082c0e66ed5a718c4ec6efd38e2aa6 [1,1,0,0,0,0|2,0,0]=4 8865 B11R0.42 CSCCNCCC(O)C(=O)O bfb322e38ef24575020a0f7724f725e6 [1,1,0,0,0,0|2,0,0]=4 8866 B11R0.42 CSCCNCC[C@H](O)C(=O)O b23734696cd426ac27bddc9e99cc5d1e [1,1,0,0,0,0|2,0,0]=4 8867 B11R0.42 C[C@@H](CNCCCCF)C(=O)O 8e95ee71746c30b535dbf7275d3d6996 [1,1,0,0,0,0|2,0,0]=4 8868 B11R0.42 C[C@@H](CNCCCCO)C(=O)O 13fb9dad6b986b4529bbd59252d1fb36 [1,1,0,0,0,0|2,0,0]=4 8869 B11R0.42 C[C@@H](COCCCCF)C(=O)O ee56b3f59d1599297da33a3c70eb1776 [1,1,0,0,0,0|2,0,0]=4 8870 B11R0.42 C[C@@H](NCCCCCCl)C(=O)O 43a549663308329945e14a44007f5f2e [1,1,0,0,0,0|2,0,0]=4 8871 B11R0.42 C[C@@H](NCCCCCF)C(=O)O 133a3ac908b473639816170f249b624f [1,1,0,0,0,0|2,0,0]=4 8872 B11R0.42 C[C@@H](NCCCCCO)C(=O)O ab537cd2731b5048a8aa82edb106b6d7 [1,1,0,0,0,0|2,0,0]=4 8873 B11R0.42 C[C@@H](OCCCCCF)C(=O)O 0dd95bc42b77368a1b2cce3a9036c2a7 [1,1,0,0,0,0|2,0,0]=4 8874 B11R0.42 C[C@H](CNCCCCF)C(=O)O 45085acdd096c58b06de42f69a74ebdb [1,1,0,0,0,0|2,0,0]=4 8875 B11R0.42 C[C@H](CNCCCCO)C(=O)O 4063dc10fdcd4429e12152c301ba60d8 [1,1,0,0,0,0|2,0,0]=4 8876 B11R0.42 C[C@H](COCCCCF)C(=O)O 2418931f9815c40ba60596daeef1f645 [1,1,0,0,0,0|2,0,0]=4 8877 B11R0.42 C[C@H](NCCCCCCl)C(=O)O 0d8b3336357ef7a813df2ad1159d8cd8 [1,1,0,0,0,0|2,0,0]=4 8878 B11R0.42 C[C@H](NCCCCCF)C(=O)O 1f2ebdd115197ad1180fa4549e438f1c [1,1,0,0,0,0|2,0,0]=4 8879 B11R0.42 C[C@H](NCCCCCO)C(=O)O 013ac2706385c076dd48e585382b77af [1,1,0,0,0,0|2,0,0]=4 8880 B11R0.42 C[C@H](OCCCCCF)C(=O)O 0a4f02d7c00f4424470149709ff5c13d [1,1,0,0,0,0|2,0,0]=4 8881 B11R0.42 O=C(O)C(F)CCNCCCF 20aab4ab1db877e067ca7ce87e5196e4 [1,1,0,0,0,0|2,0,0]=4 8882 B11R0.42 O=C(O)C(F)CCNCCCO 4b202a1b5e3bba575f1a3b2fee92c0ca [1,1,0,0,0,0|2,0,0]=4 8883 B11R0.42 O=C(O)C(F)CCNCCCS 02df3d9fc4e4e92494bf98e252487f42 [1,1,0,0,0,0|2,0,0]=4 8884 B11R0.42 O=C(O)C(F)CNCCCCF 00ee1754ed970571480fdc59e00d294e [1,1,0,0,0,0|2,0,0]=4 8885 B11R0.42 O=C(O)C(F)CNCCCCO 2a84dcc3ad29fe1889989e00f1ccb20d [1,1,0,0,0,0|2,0,0]=4 8886 B11R0.42 O=C(O)C(O)CCNCCCF b55a287ddbbb142fafbff5d157ee232b [1,1,0,0,0,0|2,0,0]=4 8887 B11R0.42 O=C(O)C(O)CCNCCCO 73b60751b2b9a82b9883811a26ce210d [1,1,0,0,0,0|2,0,0]=4 8888 B11R0.42 O=C(O)C(O)CNCCCCCl 8f356771434c5c2ff41c5cd1cd50317b [1,1,0,0,0,0|2,0,0]=4 8889 B11R0.42 O=C(O)C(O)CNCCCCF 418dd8c527fffa3fbd0c14c12850dd0a [1,1,0,0,0,0|2,0,0]=4 8890 B11R0.42 O=C(O)C(O)CNCCCCO 145ca259f9416fe00b8d81c2df187cc9 [1,1,0,0,0,0|2,0,0]=4 8891 B11R0.42 O=C(O)C(O)NCCCCCF 7045c79cb8d5343b2fb79526c0352dc2 [1,1,0,0,0,0|2,0,0]=4 8892 B11R0.42 O=C(O)C(O)NCCCCCO 3e6ba4b727c0b43ba4e996e67d3a9fe2 [1,1,0,0,0,0|2,0,0]=4 8893 B11R0.42 O=C(O)[C@@H](O)CCNCCCF 1da7f3449d95c674941c66cb2b9de388 [1,1,0,0,0,0|2,0,0]=4 8894 B11R0.42 O=C(O)[C@@H](O)CCNCCCO e624afb6aed08fc3dbe024b776bc8a81 [1,1,0,0,0,0|2,0,0]=4 8895 B11R0.42 O=C(O)[C@@H](O)CNCCCCCl 1a5c341d5b32bffa91f14c120b2da658 [1,1,0,0,0,0|2,0,0]=4 8896 B11R0.42 O=C(O)[C@@H](O)CNCCCCF e232a63334cd0cf785988d9303b2bb62 [1,1,0,0,0,0|2,0,0]=4 8897 B11R0.42 O=C(O)[C@@H](O)CNCCCCO 2aa6c41d906977475989cd086090dc11 [1,1,0,0,0,0|2,0,0]=4 8898 B11R0.42 O=C(O)[C@H](O)CNCCCCF 4619e327e2e778741d03409e6a3a0b18 [1,1,0,0,0,0|2,0,0]=4 8899 B11R0.42 O=C(O)[C@H](O)CNCCCCO 1412dd69c649025554f5c222fb23c1d9 [1,1,0,0,0,0|2,0,0]=4 8900 B11R0.46 CC(CCC(=O)O)NCCCCl 0c5726326a5ac744389838ca32f33650 [1,1,0,0,0,0|2,0,0]=4 8901 B11R0.46 CC(CCC(=O)O)NCCCF c72d9ab1b6334f56ab15801ac7c5c4eb [1,1,0,0,0,0|2,0,0]=4 8902 B11R0.46 CC(CCC(=O)O)NCCCO 9f474b864a0f9a1d6914b674e5d77698 [1,1,0,0,0,0|2,0,0]=4 8903 B11R0.46 CC(CCC(=O)O)OCCCF a30a71ea7c3b566a9ad3318917402b5a [1,1,0,0,0,0|2,0,0]=4 8904 B11R0.46 CC(CCC(=O)O)OCCCS 72cf467bc9040fda699004aa4e91ad77 [1,1,0,0,0,0|2,0,0]=4 8905 B11R0.46 CC(CCCCO)NCC(=O)O 1e3367a2bce532bdba078601384912b2 [1,1,0,0,0,0|2,0,0]=4 8906 B11R0.46 CCCCCC(C)NCC(=O)C 3b744ffccb982ef0751d36a0d377f99f [1,1,0,0,0,0|2,0,0]=4 8907 B11R0.46 CCCCCC(C)NCC(=O)N 943aae418b0f98c8aea2bcb180980244 [1,1,0,0,0,0|2,0,0]=4 8908 B11R0.46 CCCCCC(C)NCC(=O)O 1bfdcef2296e34b5c0fe308e42cf1372 [1,1,0,0,0,0|1,0,0]=3 8909 B11R0.46 CCCCCC(C)OCC(=O)C f5ec04e321ea7339d1ec164595b99541 [1,1,0,0,0,0|2,0,0]=4 8910 B11R0.46 CCCCCC(C)OCC(=O)N 336ac0942dad4ff0856fcbe92d51fa22 [1,1,0,0,0,0|2,0,0]=4 8911 B11R0.46 CCCCCC(C)OCC(=O)O 57324f0b00c57fa34b0ceda6a018e6d9 [1,1,0,0,0,0|1,0,0]=3 8912 B11R0.46 CCCCCC(C)OCS(=O)O 040abc4b4316bdad6fa921cd79346996 [1,1,0,0,0,0|2,0,0]=4 8913 B11R0.46 CCCCCN(C)CCC(=O)C 276c20c223d691194a14135a8e6444f1 [1,1,0,0,0,0|2,0,0]=4 8914 B11R0.46 CCCCCN(C)CCC(=O)N 815a7e216d799288e2a8d29eb95c2c0f [1,1,0,0,0,0|2,0,0]=4 8915 B11R0.46 CCCCCN(C)CCC(=O)O 099f3f711cc11015825f627121b0638e [1,1,0,0,0,0|1,0,0]=3 8916 B11R0.46 CCCCC[C@@H](C)OCC(=O)N 2a3d91aa30c42ab530bc4dd4180a19b7 [1,1,0,0,0,0|2,0,0]=4 8917 B11R0.46 CCCCC[C@@H](C)OCC(=O)O 977fea29395a7a8bfc512e7fc52361b2 [1,1,0,0,0,0|1,0,0]=3 8918 B11R0.46 CCCCC[C@H](C)NCC(=O)C 2180a0169e98281e3cac31743e458333 [1,1,0,0,0,0|2,0,0]=4 8919 B11R0.46 CCCCC[C@H](C)NCC(=O)N 07ee3774c382960521b38b9b0d8c3373 [1,1,0,0,0,0|2,0,0]=4 8920 B11R0.46 CCCCC[C@H](C)NCC(=O)O 0380343a2030d4f567471addb377c0f8 [1,1,0,0,0,0|1,0,0]=3 8921 B11R0.46 CCCCC[C@H](C)OCC(=O)C 96ee3e27225025e413cc06c320c2b0ba [1,1,0,0,0,0|2,0,0]=4 8922 B11R0.46 CCCCC[C@H](C)OCC(=O)N 89a03e1e6f0b96df48fdb0621fdf4258 [1,1,0,0,0,0|2,0,0]=4 8923 B11R0.46 CCCCC[C@H](C)OCC(=O)O 2b403272079d6041b1d247155ecbff7c [1,1,0,0,0,0|1,0,0]=3 8924 B11R0.46 CCCCC[C@H](C)OCS(=O)O 6303c2ae0bf865e5d2b530c2963dda2f [1,1,0,0,0,0|2,0,0]=4 8925 B11R0.46 CCCCNC(C)CCC(=O)O 25c90a2485d50f2e9558822a2afe4934 [1,1,0,0,0,0|1,0,0]=3 8926 B11R0.46 CCCCN[C@@H](C)CCC(=O)O 58abdf559e912f346c8193efceaa0201 [1,1,0,0,0,0|1,0,0]=3 8927 B11R0.46 CCCCOC(C)CCC(=O)O 650839c4954f706a638df6d6a91762ae [1,1,0,0,0,0|1,0,0]=3 8928 B11R0.46 CCCNCC(=O)CCC(=O)O 1765e3a9bf2ce3637b61aae0fa4a00d1 [1,1,0,0,0,0|1,0,1]=4 8929 B11R0.46 CCCOCC(=O)CCC(=O)O 3a0909f84f436e67a4b61ebcb795da2a [1,1,0,0,0,0|1,0,1]=4 8930 B11R0.46 CCCOCC(C)OCC(=O)O 7c05b556f01122d11e4aa7d51baa1daa [1,1,0,0,0,0|2,0,0]=4 8931 B11R0.46 CCNCCN(C)CCC(=O)O 90b07dfd4af59e43b8fddef119cb9f19 [1,1,0,0,0,0|2,0,0]=4 8932 B11R0.46 CCOCCN(C)CCC(=O)O 042f34c6daeceb24d6a73ef28f214cd8 [1,1,0,0,0,0|2,0,0]=4 8933 B11R0.46 CCOCNC(C)CCC(=O)O 2d26f6638be4c43c95b6a83698a08e90 [1,1,0,0,0,0|2,0,0]=4 8934 B11R0.46 CCOCN[C@@H](C)CCC(=O)O 733f731cb6a09ccef8fc0efb1dd2b43a [1,1,0,0,0,0|2,0,0]=4 8935 B11R0.46 CCSCCN(C)CCC(=O)O 34a962da4d1d77f2a7def90e53625083 [1,1,0,0,0,0|2,0,0]=4 8936 B11R0.46 CN(CCCCF)CCC(=O)O 076b63b0e507ace524d2d3a6f1c52c73 [1,1,0,0,0,0|2,0,0]=4 8937 B11R0.46 CN(CCCCO)CCC(=O)O 2bc2d7f7b9b8b0c02d377a30bfb30a8f [1,1,0,0,0,0|2,0,0]=4 8938 B11R0.46 COCCCN(C)CCC(=O)O 70b75de4d487adb3824c09f49b969c78 [1,1,0,0,0,0|2,0,0]=4 8939 B11R0.46 COCCNC(C)CCC(=O)O 810e9b3b63316275cb5842194f5daa2a [1,1,0,0,0,0|2,0,0]=4 8940 B11R0.46 COCCN[C@@H](C)CCC(=O)O 0acb23f64b85c0326334b65f05753ca5 [1,1,0,0,0,0|2,0,0]=4 8941 B11R0.46 COCCOC(C)CCC(=O)O 74e8f1c99a2811b17de764a240f30887 [1,1,0,0,0,0|2,0,0]=4 8942 B11R0.46 CSCCCN(C)CCC(=O)O d98cf54c943d58150a87befbda76ca03 [1,1,0,0,0,0|2,0,0]=4 8943 B11R0.46 CSCCNC(C)CCC(=O)O b842c44677c7d221ed3979bc508d9859 [1,1,0,0,0,0|2,0,0]=4 8944 B11R0.46 CSCCN[C@@H](C)CCC(=O)O 954e936d10c49c910cf5c3b4eb88e15d [1,1,0,0,0,0|2,0,0]=4 8945 B11R0.46 CSCCOC(C)CCC(=O)O b0f83d1fc07a47f796fb6fcafc02fc20 [1,1,0,0,0,0|2,0,0]=4 8946 B11R0.46 C[C@@H](CCC(=O)O)NCCCF 4c98ba9fbad36ec0b7f799189ec29383 [1,1,0,0,0,0|2,0,0]=4 8947 B11R0.46 C[C@@H](CCC(=O)O)NCCCO 42d62f7c0c1655845a0f648060232319 [1,1,0,0,0,0|2,0,0]=4 8948 B11R0.111 C=C(CC)CNCCCC(=O)O 3d9ff6390601fdebd6691df5b5e00b62 [1,1,0,0,0,0|1,0,1]=4 8949 B11R0.111 CC(CO)CCCNCC(=O)O 1de1fc102d36f3ca60c60feaef5a18df [1,1,0,0,0,0|2,0,0]=4 8950 B11R0.111 CC(CO)CCNCCC(=O)O c1d6cecf9a207e3fcbb9eb8ac8dc0ed4 [1,1,0,0,0,0|2,0,0]=4 8951 B11R0.111 CC(CO)CNCCCC(=O)O b1ae6f9c8b7f795e4c4a6b2eb0136324 [1,1,0,0,0,0|2,0,0]=4 8952 B11R0.111 CC(CO)NCCCCC(=O)O 8a44e8d6b033cd0087db382fadbb5769 [1,1,0,0,0,0|2,0,0]=4 8953 B11R0.111 CCC(=O)CNCCCC(=O)O 5c5da6aca4a6d2d69f3d2e74fd5f4417 [1,1,0,0,0,0|1,0,1]=4 8954 B11R0.111 CCC(C)CCCOCC(=O)N 89608c6205c0f174263abd240c4dbad8 [1,1,0,0,0,0|2,0,0]=4 8955 B11R0.111 CCC(C)CCCOCC(=O)O 0499bf36e08b4b6291cbe67911409c42 [1,1,0,0,0,0|1,0,0]=3 8956 B11R0.111 CCC(C)CCNCCC(=O)C 638920a467dc28b39de3c335975a78f2 [1,1,0,0,0,0|2,0,0]=4 8957 B11R0.111 CCC(C)CCNCCC(=O)N dfbf6bf8564620c08329a359d9cba1ee [1,1,0,0,0,0|2,0,0]=4 8958 B11R0.111 CCC(C)CCNCCC(=O)O cec12697eb033e4fbae2a331d12d45c2 [1,1,0,0,0,0|1,0,0]=3 8959 B11R0.111 CCC(C)CCNCCS(=O)O e77df2d9b8ae6b052dccf2696ea10298 [1,1,0,0,0,0|2,0,0]=4 8960 B11R0.111 CCC(C)CCOCCC(=O)C da3a9cc1ef47c6a092452f99753e1cab [1,1,0,0,0,0|2,0,0]=4 8961 B11R0.111 CCC(C)CCOCCC(=O)N 00c6c3d41440eb43b6b21860459b3aaf [1,1,0,0,0,0|2,0,0]=4 8962 B11R0.111 CCC(C)CCOCCC(=O)O 4b77e9d8aa524d45b395588cd9a284ae [1,1,0,0,0,0|1,0,0]=3 8963 B11R0.111 CCC(C)CNCCCC(=O)C 853dfe34c15cd93ef4656bc82c256d5a [1,1,0,0,0,0|2,0,0]=4 8964 B11R0.111 CCC(C)CNCCCC(=O)N b9980b2e9cdf6d013f294e66bf7be314 [1,1,0,0,0,0|2,0,0]=4 8965 B11R0.111 CCC(C)CNCCCC(=O)O 09cbf9bf2923470c1370f970f974ffdd [1,1,0,0,0,0|1,0,0]=3 8966 B11R0.111 CCC(C)COCCCC(=O)C 95524877262bf2288746bedd3e83a05f [1,1,0,0,0,0|2,0,0]=4 8967 B11R0.111 CCC(C)COCCCC(=O)N 1ae29965bfe3ca235467d6d0fe9ca825 [1,1,0,0,0,0|2,0,0]=4 8968 B11R0.111 CCC(C)NCCCCC(=O)C 60648df8dd8dbd5b6956c5fb973e4ac0 [1,1,0,0,0,0|2,0,0]=4 8969 B11R0.111 CCC(C)NCCCCC(=O)N 6d2a650d023a76cdce4d18b7ef659791 [1,1,0,0,0,0|2,0,0]=4 8970 B11R0.111 CCC(C)NCCCCC(=O)O 9c5b51db971f07f8217489ecab23b5ff [1,1,0,0,0,0|1,0,0]=3 8971 B11R0.111 CCC(C)NCCOCC(=O)O 50f2d53ff5621af2a8a303b68dc25efb [1,1,0,0,0,0|2,0,0]=4 8972 B11R0.111 CCC(C)NCCSCC(=O)O d4d854c993c6a7e1461f6f1bf5997866 [1,1,0,0,0,0|2,0,0]=4 8973 B11R0.111 CCC(C)OCCCCC(=O)C 5ca45f38f33b35896604f0ab32498337 [1,1,0,0,0,0|2,0,0]=4 8974 B11R0.111 CCC(C)OCCCCC(=O)N a3333d9aaa6a2be7aa14510d4132984f [1,1,0,0,0,0|2,0,0]=4 8975 B11R0.111 CCC(C)OCCCCC(=O)O 719924b88b0deb49fa59be4ee32bc9b0 [1,1,0,0,0,0|1,0,0]=3 8976 B11R0.111 CCC(C)OCCOCC(=O)O b60fb6d62737a9750b5d090dbc2e6de4 [1,1,0,0,0,0|2,0,0]=4 8977 B11R0.111 CCC(O)CNCCCC(=O)C eac8eda898d508c8f6b368c71231fbab [1,1,0,0,0,0|2,0,0]=4 8978 B11R0.111 CCC(O)CNCCCC(=O)N ba9d4d47022f49f563c2c42f84542fa6 [1,1,0,0,0,0|2,0,0]=4 8979 B11R0.111 CCC(O)CNCCCC(=O)O 4758614ea6560ee12ecbdf67b15a3ea9 [1,1,0,0,0,0|1,0,0]=3 8980 B11R0.111 CCC(S)CCOCCC(=O)C a50cd37116b3d3a4898e11cabe8e86d0 [1,1,0,0,0,0|2,0,0]=4 8981 B11R0.111 CCC(S)CCOCCC(=O)N 53687be8581a3c2ed6abd6f40ab6a91e [1,1,0,0,0,0|2,0,0]=4 8982 B11R0.111 CCC(S)CCOCCC(=O)O 17852c227724ccb40abd0882458ac146 [1,1,0,0,0,0|1,0,0]=3 8983 B11R0.111 CCN(C)CCCCCC(=O)C 604ef90374a73c56da1cb19d40b7efb5 [1,1,0,0,0,0|2,0,0]=4 8984 B11R0.111 CCN(C)CCCCCC(=O)N 5c2c6734f1cfe400c769a02d4b9cb061 [1,1,0,0,0,0|2,0,0]=4 8985 B11R0.111 CCN(C)CCCNCC(=O)O d7be00b7d403e390b1ba45600abbd35a [1,1,0,0,0,0|2,0,0]=4 8986 B11R0.111 CCN(C)CCCOCC(=O)O 96a7f38d6edda2d9492f68ee5ca2c291 [1,1,0,0,0,0|2,0,0]=4 8987 B11R0.111 CCN(C)CCOCCC(=O)O 3ee5dbeb152429c7949da1d6bdfdfe35 [1,1,0,0,0,0|2,0,0]=4 8988 B11R0.111 CCS(=O)CCOCCC(=O)O dcd6dcf593e3282c8bd4dbbecfdb300f [1,1,0,0,0,0|2,0,0]=4 8989 B11R0.111 CC[C@@H](C)CNCCCC(=O)N 92daced6dd5149bc577c0c01397c6869 [1,1,0,0,0,0|2,0,0]=4 8990 B11R0.111 CC[C@@H](C)CNCCCC(=O)O cbbb4833d76c35ba1c919a574dc3e7a6 [1,1,0,0,0,0|1,0,0]=3 8991 B11R0.111 CC[C@@H](C)COCCCC(=O)C f31c8875342916c0b22c9342f8ed5ccb [1,1,0,0,0,0|2,0,0]=4 8992 B11R0.111 CC[C@@H](C)COCCCC(=O)N c9db34c2aaaa851e82057b91ab49630b [1,1,0,0,0,0|2,0,0]=4 8993 B11R0.111 CC[C@@H](C)NCCCCC(=O)C cf1b65646c3f009f63ff2433ce8b1c45 [1,1,0,0,0,0|2,0,0]=4 8994 B11R0.111 CC[C@@H](C)NCCCCC(=O)N 3fb464e670b5561a99a33c60a0ab5cc3 [1,1,0,0,0,0|2,0,0]=4 8995 B11R0.111 CC[C@@H](C)NCCOCC(=O)O e8ec695ecdf48b9a4e5d5801fec5100b [1,1,0,0,0,0|2,0,0]=4 8996 B11R0.111 CC[C@@H](C)OCCCCC(=O)C 290ecae0017a8c9119dbb791b17e3beb [1,1,0,0,0,0|2,0,0]=4 8997 B11R0.111 CC[C@@H](C)OCCCCC(=O)N fa09aed991b1329e5bfe912a13a024ee [1,1,0,0,0,0|2,0,0]=4 8998 B11R0.111 CC[C@@H](C)OCCOCC(=O)O c5de35459fe1c14b7d3415b8f134eb6c [1,1,0,0,0,0|2,0,0]=4 8999 B11R0.111 CC[C@@H](O)CNCCCC(=O)C 8ecd865ddd5c979275e954e008c480a1 [1,1,0,0,0,0|2,0,0]=4 9000 B11R0.111 CC[C@@H](O)CNCCCC(=O)N 090502c9e820d15050bae9a77455ad3c [1,1,0,0,0,0|2,0,0]=4 9001 B11R0.111 CC[C@@H](O)CNCCCC(=O)O f623457a926912731522f7071f5ddda7 [1,1,0,0,0,0|1,0,0]=3 9002 B11R0.111 CC[C@H](C)CCCOCC(=O)N b568e5a9f8665ddcffb4e14bc9b2d3a7 [1,1,0,0,0,0|2,0,0]=4 9003 B11R0.111 CC[C@H](C)CCCOCC(=O)O 650fab3a57b034a98a3481ab37720e3e [1,1,0,0,0,0|1,0,0]=3 9004 B11R0.111 CC[C@H](C)CCOCCC(=O)C 4be2d65df695f9a7bbadc6bc6a9257ee [1,1,0,0,0,0|2,0,0]=4 9005 B11R0.111 CC[C@H](C)CCOCCC(=O)N 57d3b53410b7100a9ff86f97e7d8eb63 [1,1,0,0,0,0|2,0,0]=4 9006 B11R0.111 CC[C@H](C)CCOCCC(=O)O b62c105d7bb109321d0f567dcae2cb8b [1,1,0,0,0,0|1,0,0]=3 9007 B11R0.111 CC[C@H](C)CNCCCC(=O)C 23900becd103c16de6f557f5fce812fc [1,1,0,0,0,0|2,0,0]=4 9008 B11R0.111 CC[C@H](C)CNCCCC(=O)N 998ceb7760d20ddd71941a726e58d834 [1,1,0,0,0,0|2,0,0]=4 9009 B11R0.111 CC[C@H](C)CNCCCC(=O)O 581363f28c8dee1645a4a70b50ddfe0e [1,1,0,0,0,0|1,0,0]=3 9010 B11R0.111 CC[C@H](C)COCCCC(=O)C 2dedac0b35748e7822e92fa08994d1ae [1,1,0,0,0,0|2,0,0]=4 9011 B11R0.111 CC[C@H](C)COCCCC(=O)N cf36cc6d07ac7d1af936ad4900c33ac5 [1,1,0,0,0,0|2,0,0]=4 9012 B11R0.111 CC[C@H](C)NCCCCC(=O)C 68e2c9be04a963688b66c0d8963a2b31 [1,1,0,0,0,0|2,0,0]=4 9013 B11R0.111 CC[C@H](C)NCCCCC(=O)N 50b090b223d574692141806c663df325 [1,1,0,0,0,0|2,0,0]=4 9014 B11R0.111 CC[C@H](C)NCCOCC(=O)O edb73c59843fa3d36d0e0f0e5c7edd28 [1,1,0,0,0,0|2,0,0]=4 9015 B11R0.111 CC[C@H](C)OCCCCC(=O)C e4870a2bb84c10c8d0c5c1fa6771732f [1,1,0,0,0,0|2,0,0]=4 9016 B11R0.111 CC[C@H](C)OCCCCC(=O)N 8af9c4986bc0391d899d393c47a22073 [1,1,0,0,0,0|2,0,0]=4 9017 B11R0.111 CC[C@H](C)OCCOCC(=O)O 9b120d3f71a25818bcf413a0a70c93ca [1,1,0,0,0,0|2,0,0]=4 9018 B11R0.111 COC(C)CCOCCC(=O)O cf4a524fbb43acdb0b4782442b0967bf [1,1,0,0,0,0|2,0,0]=4 9019 B11R0.111 COC(C)CNCCCC(=O)O 7e0486e4221946dc9a8e8479295687cf [1,1,0,0,0,0|2,0,0]=4 9020 B11R0.111 CO[C@@H](C)CNCCCC(=O)O f7c194a5fd4c216d415142be70b79dfa [1,1,0,0,0,0|2,0,0]=4 9021 B11R0.111 CO[C@H](C)CNCCCC(=O)O 7bd656bf652c6999e3b6b84821ee234f [1,1,0,0,0,0|2,0,0]=4 9022 B11R0.111 C[C@@H](CO)CCNCCC(=O)O 30a375361b9f4af6db8d2a9012d9a68f [1,1,0,0,0,0|2,0,0]=4 9023 B11R0.111 C[C@@H](CO)CNCCCC(=O)O 495a53f1c00368528d8892b9ab51f372 [1,1,0,0,0,0|2,0,0]=4 9024 B11R0.111 C[C@@H](CO)NCCCCC(=O)O 79c29743d7d4ad51d55419e583527ba4 [1,1,0,0,0,0|2,0,0]=4 9025 B11R0.111 C[C@H](CO)CNCCCC(=O)O 1a3e02c5e0e49b1c6153afee32ab4d8d [1,1,0,0,0,0|2,0,0]=4 9026 B11R0.111 C[C@H](CO)NCCCCC(=O)O e63c72f49e346371737a769985b09cc7 [1,1,0,0,0,0|2,0,0]=4 9027 B11R0.111 O=C(O)CCCNCC(F)CO e0ce63e5164a9fbab0e64bf81c442e4c [1,1,0,0,0,0|2,0,0]=4 9028 B11R0.111 O=C(O)CCCNCC(O)CF 30209f0d030ba40ef812d525bf05c6ba [1,1,0,0,0,0|2,0,0]=4 9029 B11R0.111 O=C(O)CCCNCC(O)CO ab2951dded088b502e96f7014e2f2d40 [1,1,0,0,0,0|2,0,0]=4 9030 B11R0.111 O=C(O)CCCNC[C@@H](F)CO fbeea5ab965e7a22517422448962c6de [1,1,0,0,0,0|2,0,0]=4 9031 B11R0.111 O=C(O)CCCNC[C@@H](O)CO 8b77ce7807c010d7e4095c355a594d1c [1,1,0,0,0,0|2,0,0]=4 9032 B11R0.111 O=C(O)CCCNC[C@H](F)CO 33364142682d0c2b783a9f7a45cfebb3 [1,1,0,0,0,0|2,0,0]=4 9033 B11R0.111 O=C(O)CCCNC[C@H](O)CO 79e1acfd6bde6efc5b7ae65df1aa4e82 [1,1,0,0,0,0|2,0,0]=4 9034 B11R0.111 O=C(O)CCNCCC(O)CO 915db0b58bf081b309421a3744f3b6e8 [1,1,0,0,0,0|2,0,0]=4 9035 B11R0.147 CC(CCCO)NCCC(=O)O 0a84f673b85627d338064254e1b9d482 [1,1,0,0,0,0|2,0,0]=4 9036 B11R0.147 CCCCC(C)COCC(=O)N 0c47a81ee857be86a93c87a99d89593c [1,1,0,0,0,0|2,0,0]=4 9037 B11R0.147 CCCCC(C)COCC(=O)O 9ef64333eda5ab77446d850437b4b702 [1,1,0,0,0,0|1,0,0]=3 9038 B11R0.147 CCCCC(C)NCCC(=O)C edcd28c8eaa8bf7db1d99a2ef0778d5c [1,1,0,0,0,0|2,0,0]=4 9039 B11R0.147 CCCCC(C)NCCC(=O)N 14a90b758e7a718aaea53884a12b78ad [1,1,0,0,0,0|2,0,0]=4 9040 B11R0.147 CCCCC(C)NCCC(=O)O c7b1f15f3546628c2966408987ee05d4 [1,1,0,0,0,0|1,0,0]=3 9041 B11R0.147 CCCCC(C)NCCS(=O)O a6239b5c52a32f0915315c1ddaa48240 [1,1,0,0,0,0|2,0,0]=4 9042 B11R0.147 CCCCC(C)OCCC(=O)C ebeebc9e296cbe6f0a98ad631ab6f24b [1,1,0,0,0,0|2,0,0]=4 9043 B11R0.147 CCCCC(C)OCCC(=O)N bb32f8eea69e27f7214519c9c704ee7e [1,1,0,0,0,0|2,0,0]=4 9044 B11R0.147 CCCCC(O)CNCC(=O)N 9c9ea850869139399386cf5bd9f959d2 [1,1,0,0,0,0|2,0,0]=4 9045 B11R0.147 CCCCC(O)CNCC(=O)O 12d23a216214115c26b91a124bcfe6f6 [1,1,0,0,0,0|1,0,0]=3 9046 B11R0.147 CCCCN(C)CCCC(=O)C abc7666fa9422368eaa5ed52008f4eec [1,1,0,0,0,0|2,0,0]=4 9047 B11R0.147 CCCCN(C)CCCC(=O)N 10f1e70d4deedd76e23ba9a5f3f7fa86 [1,1,0,0,0,0|2,0,0]=4 9048 B11R0.147 CCCCN(C)CCCC(=O)O d27e769f81999c0feb094daf3684f278 [1,1,0,0,0,0|1,0,0]=3 9049 B11R0.147 CCCC[C@@H](C)NCCC(=O)C 3e4c3a2c28f0952148627b465ed49444 [1,1,0,0,0,0|2,0,0]=4 9050 B11R0.147 CCCC[C@@H](C)NCCC(=O)N 382fc32873833cfb372f737620bc6e46 [1,1,0,0,0,0|2,0,0]=4 9051 B11R0.147 CCCC[C@@H](C)NCCC(=O)O b6fdd76e08178d66c6878d9a951d46a6 [1,1,0,0,0,0|1,0,0]=3 9052 B11R0.147 CCCC[C@@H](C)OCCC(=O)C 8b14055ccd1479780072337616d0a089 [1,1,0,0,0,0|2,0,0]=4 9053 B11R0.147 CCCC[C@@H](C)OCCC(=O)N 5c6d7a40bb14456849afe49dc50b1f66 [1,1,0,0,0,0|2,0,0]=4 9054 B11R0.147 CCCC[C@H](C)OCCC(=O)C 1870b86809036ac20fc9a5cf943b11ce [1,1,0,0,0,0|2,0,0]=4 9055 B11R0.147 CCCC[C@H](C)OCCC(=O)N 962eee950358e00235cebb697af38cfc [1,1,0,0,0,0|2,0,0]=4 9056 B11R0.147 CCOCC(C)COCC(=O)O 1860f499eedd358b2cf3ff06452df843 [1,1,0,0,0,0|2,0,0]=4 9057 B11R0.147 CCOCC(C)OCCC(=O)O 23fb76fb6f1d42ad22e9f31fb991ae25 [1,1,0,0,0,0|2,0,0]=4 9058 B11R0.147 CCOCC(O)CNCC(=O)O 612508c3ec489602335763d22880faab [1,1,0,0,0,0|2,0,0]=4 9059 B11R0.147 CCOCN(C)CCCC(=O)O 432497fae05909ebec99c176eca0e18c [1,1,0,0,0,0|2,0,0]=4 9060 B11R0.147 CN(CCCF)CCCC(=O)O 7847e8daa408c57a846702c31809d4ce [1,1,0,0,0,0|2,0,0]=4 9061 B11R0.147 CN(CCCO)CCCC(=O)O 5943ca1e540c5e55779b3ddbe6e0cecd [1,1,0,0,0,0|2,0,0]=4 9062 B11R0.147 CN(CCCS)CCCC(=O)O 7ae1a8afe0cc8572683c4290214feb77 [1,1,0,0,0,0|2,0,0]=4 9063 B11R0.147 COCCC(C)OCCC(=O)O 5f1a4a68dc31488f5e97217537da23e3 [1,1,0,0,0,0|2,0,0]=4 9064 B11R0.147 COCCN(C)CCCC(=O)O 16873fc523c100821b9185b70f451e80 [1,1,0,0,0,0|2,0,0]=4 9065 B11R0.147 CSCCN(C)CCCC(=O)O 7b4a665c8b89f94cbd680bd369471d99 [1,1,0,0,0,0|2,0,0]=4 9066 B11R0.147 C[C@H](CCCO)CNCC(=O)O 5a64b86a049ce0228ff2384ea32773b8 [1,1,0,0,0,0|2,0,0]=4 9067 B11R0.147 C[C@H](CCCO)NCCC(=O)O f39244f1439986cbae7056b6fb46fb5c [1,1,0,0,0,0|2,0,0]=4 9068 B11R0.159 CCCCCCNCS(=O)(=O)O ce5ed83d6ddc7e2fa47c3ba6426f327c [1,1,0,0,0,0|2,0,0]=4 9069 B11R0.159 CCCCCNCCS(=O)(=O)O b650e83234115415b71e75f0f9decbc5 [1,1,0,0,0,0|2,0,0]=4 9070 B11R0.159 CCCCCOCCS(=O)(=O)O 2636fd09442f0930a28022b7027aa46a [1,1,0,0,0,0|2,0,0]=4 9071 B11R0.159 CCCCNCCCS(=O)(=O)O 07e9131e63e992163f75eb70ba470334 [1,1,0,0,0,0|2,0,0]=4 9072 B11R0.159 CCCCOCCCS(=O)(=O)O 7476988f54d525729e24e76098452d00 [1,1,0,0,0,0|2,0,0]=4 9073 B11R0.159 CCCNCCCCS(=O)(=O)O 74a21255de4d91d86152bad89d211cb1 [1,1,0,0,0,0|2,0,0]=4 9074 B11R0.159 CCCOCCCCS(=O)(=O)O 249347fe4c0bafb0737d12b476bb27b3 [1,1,0,0,0,0|2,0,0]=4 9075 B11R0.159 CCNCCCCCS(=O)(=O)O 713c5bee641022ead822049d52fc1759 [1,1,0,0,0,0|2,0,0]=4 9076 B11R0.176 CC(CCO)CNCCC(=O)O 1ab39c4fac67489d41b1d4f91d97f4c7 [1,1,0,0,0,0|2,0,0]=4 9077 B11R0.176 CC(CCO)NCCCC(=O)O 2ab90a0be5ab9a8c6a31ff20f85d9888 [1,1,0,0,0,0|2,0,0]=4 9078 B11R0.176 CCCC(=O)CNCCC(=O)O 6fc5bffc1a7bceaab37e77d713aebb3a [1,1,0,0,0,0|1,0,1]=4 9079 B11R0.176 CCCC(=O)COCCC(=O)O 70af2b31f7f8df2828edd15acf112909 [1,1,0,0,0,0|1,0,1]=4 9080 B11R0.176 CCCC(=S)OCCCC(=O)O 7620919911fa80680af601816fd3c6b5 [1,1,0,0,0,0|1,0,1]=4 9081 B11R0.176 CCCC(C)CCOCC(=O)N 359b6ec6b454c3e91d4247f1c89a2db1 [1,1,0,0,0,0|2,0,0]=4 9082 B11R0.176 CCCC(C)CCOCC(=O)O 58d54a522ab047b6bc16c21f6d8fc26f [1,1,0,0,0,0|1,0,0]=3 9083 B11R0.176 CCCC(C)CNCCC(=O)N 91a260e441fe1319ef41b4b565e7d6a5 [1,1,0,0,0,0|2,0,0]=4 9084 B11R0.176 CCCC(C)CNCCC(=O)O 73577dfd03901eef4bbe55dae4ae1fb2 [1,1,0,0,0,0|1,0,0]=3 9085 B11R0.176 CCCC(C)CNCCS(=O)O 3c4cc235b4d21c0f9947b3bab0b8e1b1 [1,1,0,0,0,0|2,0,0]=4 9086 B11R0.176 CCCC(C)COCCC(=O)C bd63923e341658bc0c9300990aab97f0 [1,1,0,0,0,0|2,0,0]=4 9087 B11R0.176 CCCC(C)COCCC(=O)N 58b947f8fa61af8147ed00e5f4889046 [1,1,0,0,0,0|2,0,0]=4 9088 B11R0.176 CCCC(C)COCCC(=O)O bd84fe650b47e44f2be6aeb7b4c8bf06 [1,1,0,0,0,0|1,0,0]=3 9089 B11R0.176 CCCC(C)NCCCC(=O)C 79eb50a76b50a71931c0c933e59fcd2f [1,1,0,0,0,0|2,0,0]=4 9090 B11R0.176 CCCC(C)NCCCC(=O)N 9e8b836337adeda77636bae0ad7852aa [1,1,0,0,0,0|2,0,0]=4 9091 B11R0.176 CCCC(C)NCCCC(=O)O 04c4a7a7f4ffa1b1244fa093c18dae54 [1,1,0,0,0,0|1,0,0]=3 9092 B11R0.176 CCCC(C)OCCCC(=O)C 96bfe9d58b63417e93594d6565e1abcf [1,1,0,0,0,0|2,0,0]=4 9093 B11R0.176 CCCC(C)OCCCC(=O)N 34f4dda2cc7c092c131b383432741a79 [1,1,0,0,0,0|2,0,0]=4 9094 B11R0.176 CCCC(O)CNCCC(=O)C e02e86ed7fd6744f57635282519df3e7 [1,1,0,0,0,0|2,0,0]=4 9095 B11R0.176 CCCC(O)CNCCC(=O)N 3cfae3bd5c7a1f07cc4edc83411ad4c9 [1,1,0,0,0,0|2,0,0]=4 9096 B11R0.176 CCCC(O)CNCCC(=O)O 74f98abd31079fd9c6942e28afbcf109 [1,1,0,0,0,0|1,0,0]=3 9097 B11R0.176 CCCC(S)CCOCC(=O)N 1367eecf0e1959d570e46e5748c2af2b [1,1,0,0,0,0|2,0,0]=4 9098 B11R0.176 CCCC(S)CCOCC(=O)O 82e8413d3a62e6cdf39de4a52bb4d7db [1,1,0,0,0,0|1,0,0]=3 9099 B11R0.176 CCCN(C)CCCCC(=O)C 064d9b300dd783383958c1adc14d8e94 [1,1,0,0,0,0|2,0,0]=4 9100 B11R0.176 CCCN(C)CCCCC(=O)N f3e32e305232e922bc56ab9f2e82658a [1,1,0,0,0,0|2,0,0]=4 9101 B11R0.176 CCCN(C)CCCCC(=O)O daac98f71969a61f3a6ff1214645bf8a [1,1,0,0,0,0|1,0,0]=3 9102 B11R0.176 CCCN(C)CCOCC(=O)O debc12ce8355b5b9418a77c113cb3ddd [1,1,0,0,0,0|2,0,0]=4 9103 B11R0.176 CCC[C@@H](C)OCCCC(=O)C 5c0372cf8436cbcabf8a92bbcecf0d0f [1,1,0,0,0,0|2,0,0]=4 9104 B11R0.176 CCC[C@@H](C)OCCCC(=O)N 066d5263b19b4a986ad51196f09e594b [1,1,0,0,0,0|2,0,0]=4 9105 B11R0.176 CCC[C@H](C)NCCCC(=O)C e24e3060e406b1afa25fa4590636f9fd [1,1,0,0,0,0|2,0,0]=4 9106 B11R0.176 CCC[C@H](C)NCCCC(=O)N 5ab6e7ea5573a2fb7b9a9081b714830e [1,1,0,0,0,0|2,0,0]=4 9107 B11R0.176 CCC[C@H](C)NCCCC(=O)O 0524477b3463cafee31b71a289309eed [1,1,0,0,0,0|1,0,0]=3 9108 B11R0.176 CCC[C@H](C)OCCCC(=O)C 0e20888937b7c12d77484063f65da900 [1,1,0,0,0,0|2,0,0]=4 9109 B11R0.176 CCC[C@H](C)OCCCC(=O)N 05a708350f9e23ed0eb7a85a60327220 [1,1,0,0,0,0|2,0,0]=4 9110 B11R0.176 CCOC(C)CNCCC(=O)O b16b8805951c8965d58f88c25a1648fa [1,1,0,0,0,0|2,0,0]=4 9111 B11R0.176 CCOC(C)COCCC(=O)O 414c28fbf11586ce871a277d75c345c5 [1,1,0,0,0,0|2,0,0]=4 9112 B11R0.176 CN(CCF)CCCCC(=O)O 71a182ebaa7165e270a8035109e56244 [1,1,0,0,0,0|2,0,0]=4 9113 B11R0.176 CN(CCO)CCCCC(=O)O d79c655a40001a61187c32d43162451b [1,1,0,0,0,0|2,0,0]=4 9114 B11R0.176 CN(CCS)CCCCC(=O)O cce85b55a77bc80c23be6c823ca8ebe7 [1,1,0,0,0,0|2,0,0]=4 9115 B11R0.176 COCC(C)NCCCC(=O)O cec552d311fa30ce077ddec9d33e1d7c [1,1,0,0,0,0|2,0,0]=4 9116 B11R0.176 COCC(O)CNCCC(=O)O 9b0609b81646f0ad37c37539b382eb77 [1,1,0,0,0,0|2,0,0]=4 9117 B11R0.176 COCN(C)CCCCC(=O)O 936517f22bdfb59296e2bf7c69aeb6f4 [1,1,0,0,0,0|2,0,0]=4 9118 B11R0.176 COC[C@@H](C)NCCCC(=O)O 90345be62b0560502ae18dd4c399f9a8 [1,1,0,0,0,0|2,0,0]=4 9119 B11R0.176 COC[C@@H](O)CNCCC(=O)O c9f6b7e3665e6cdbbbb2ca8c07638fe9 [1,1,0,0,0,0|2,0,0]=4 9120 B11R0.176 COC[C@H](C)NCCCC(=O)O ab706748835cb9e07c19c5bf84e53bf0 [1,1,0,0,0,0|2,0,0]=4 9121 B11R0.176 CSCC(C)OCCCC(=O)O 5915820b4c8522f8ee66e8992417579e [1,1,0,0,0,0|2,0,0]=4 9122 B11R0.176 CSCN(C)CCCCC(=O)O 65b96fd18ddd5ceca7eb99693a511c18 [1,1,0,0,0,0|2,0,0]=4 9123 B11R0.176 C[C@@H](CCO)NCCCC(=O)O aa94313cd6d93ff1eae8e62290362358 [1,1,0,0,0,0|2,0,0]=4 9124 B11R0.176 C[C@H](CCO)NCCCC(=O)O 16c2017fc07560fe8790be04a376de0d [1,1,0,0,0,0|2,0,0]=4 9125 B11R0.176 O=C(O)CCOC[C@@H](O)CCO 1943caf4cbf992cc7ad4ec2408f04729 [1,1,0,0,0,0|2,0,0]=4 9126 B11R0.3 C#CCCCCCCCOCC 84ce53283c4b9755ed2326be390434c8 [1,1,0,0,0,0|1,0,1]=4 9127 B11R0.3 C#CCCCCCCNCC=O 03a3b50d2fcf9d8c5b85b66ba9a10e35 [1,1,0,0,0,0|0,0,2]=4 9128 B11R0.3 C#CCCCCCCNCCC 02da07847a079ff299b9865ceb96b409 [1,1,0,0,0,0|1,0,1]=4 9129 B11R0.3 C#CCCCCCCOCC=O 312ebe70fe4798563dd97f0dcfdc0bdc [1,1,0,0,0,0|0,0,2]=4 9130 B11R0.3 C#CCCCCCCOCCC cfdd8580ef8f82280382a14788d2344e [1,1,0,0,0,0|1,0,1]=4 9131 B11R0.3 C#CCCCCCNCCC=O 0528a63c223db8c344eba572888c2a3f [1,1,0,0,0,0|0,0,2]=4 9132 B11R0.3 C#CCCCCCNCCCC 317388423a1cee18f11a7bca718dd97c [1,1,0,0,0,0|1,0,1]=4 9133 B11R0.3 C#CCCCCCOCCC=O f0596342481e78986acec51e324041c8 [1,1,0,0,0,0|0,0,2]=4 9134 B11R0.3 C#CCCCCCOCCCC a6767e3572e039246806d7c1f4ab452e [1,1,0,0,0,0|1,0,1]=4 9135 B11R0.3 C#CCCCCNCCCC=O 831c6073ed4f04f935eea659102743af [1,1,0,0,0,0|0,0,2]=4 9136 B11R0.3 C#CCCCCNCCCCC 0310083451d131dce1267280bc7baa38 [1,1,0,0,0,0|1,0,1]=4 9137 B11R0.3 C#CCCCCOCCCC=O ab1598c1293389c129e412c390018b05 [1,1,0,0,0,0|0,0,2]=4 9138 B11R0.3 C#CCCCCOCCCCC ba6b4fc782757cd8d61e8f834b449a1f [1,1,0,0,0,0|1,0,1]=4 9139 B11R0.3 C#CCCCNCCCCC=O c60d17c066a2c9b52b4421db019e8715 [1,1,0,0,0,0|0,0,2]=4 9140 B11R0.3 C#CCCCNCCCCCC 531b173f97d1ee6660bf9138ec42ec62 [1,1,0,0,0,0|1,0,1]=4 9141 B11R0.3 C#CCCCOCCCCC=O 211c2ef4b3739ed5a2ffffbcbe2e5990 [1,1,0,0,0,0|0,0,2]=4 9142 B11R0.3 C#CCCCOCCCCCC dcee40ff53ac67443eba7b05c5d90c94 [1,1,0,0,0,0|1,0,1]=4 9143 B11R0.3 C#CCCNCCCCCC=O 3904c7b99600d0e4a78e443167168826 [1,1,0,0,0,0|0,0,2]=4 9144 B11R0.3 C#CCCNCCCCCCC 4e70e9fe06a7b5399ee0c8f864839780 [1,1,0,0,0,0|1,0,1]=4 9145 B11R0.3 C#CCCOCCCCCC=O 4c0b83251d077ad9531babbf8d30eb8a [1,1,0,0,0,0|0,0,2]=4 9146 B11R0.3 C#CCCOCCCCCCC b9739655913e528f6ed1685dee2f31af [1,1,0,0,0,0|1,0,1]=4 9147 B11R0.3 C#CCNCCCCCCC=O 9a8a3ea345965139e6887a9556496a66 [1,1,0,0,0,0|0,0,2]=4 9148 B11R0.3 C#CCNCCCCCCCC 6db1cd8462905f563e8ab10b0421f056 [1,1,0,0,0,0|1,0,1]=4 9149 B11R0.3 C#CCOCCCCCCC=O ac9f6a2e0c12f838ae1902207e952c0e [1,1,0,0,0,0|0,0,2]=4 9150 B11R0.3 C#CCOCCCCCCCC a677fe3a66a8bcd20ef936d9631eff5c [1,1,0,0,0,0|1,0,1]=4 9151 B11R0.3 C/C=C/CCCOCCCC=O 7bcb0e0439cb2196243206e1ea6c159e [1,1,0,0,0,0|0,0,2]=4 9152 B11R0.3 C/C=C/CCCOCCCCC 14c1074a961f91af4aaf5acad9119f1f [1,1,0,0,0,0|1,0,1]=4 9153 B11R0.3 C/C=C/CCOCCCCC=O 6101818191c9a7a26ef7914bc4455eae [1,1,0,0,0,0|0,0,2]=4 9154 B11R0.3 C/C=C/CCOCCCCCC 8c3ad0457a3e830872c3530027a04f1e [1,1,0,0,0,0|1,0,1]=4 9155 B11R0.3 C/C=C/CNCCCCCCC af0fdf38ebb307486bc264784ccd3c83 [1,1,0,0,0,0|1,0,1]=4 9156 B11R0.3 C/C=C/COCCCCCC=O d4e9745163301d7b8e112f407d05beae [1,1,0,0,0,0|0,0,2]=4 9157 B11R0.3 C/C=C/COCCCCCCC 67d80454e207dd5a1825d1eef2cf7e69 [1,1,0,0,0,0|1,0,1]=4 9158 B11R0.3 C/C=C\CCCNCCCCC 5e500be2c9b395f6ca28a4341df00076 [1,1,0,0,0,0|1,0,1]=4 9159 B11R0.3 C/C=C\CCCOCCCC=O 07250c98eb751e21f337b02d3011f463 [1,1,0,0,0,0|0,0,2]=4 9160 B11R0.3 C/C=C\CCCOCCCCC 568202d36daaca9382cf0b6e7e3d1686 [1,1,0,0,0,0|1,0,1]=4 9161 B11R0.3 C/C=C\CNCCCCCCC 9dd75a327d2457b018c6d50d1310b411 [1,1,0,0,0,0|1,0,1]=4 9162 B11R0.3 C/C=C\COCCCCCC=O 561e313e5399e3b9aac96be56cb260a2 [1,1,0,0,0,0|0,0,2]=4 9163 B11R0.3 C/C=C\COCCCCCCC 48c8f8426fdc5f9bef7e34a4312ddd6d [1,1,0,0,0,0|1,0,1]=4 9164 B11R0.3 C=C=CCCOCCCCCC 5d3d3a98576b836d28e9a60568eb9441 [1,1,0,0,0,0|2,0,0]=4 9165 B11R0.3 C=CCCCCCCCOCC ed14b0620af6de10a0e50df9aa44f9c3 [1,1,0,0,0,0|1,0,0]=3 9166 B11R0.3 C=CCCCCCCCOCF 8461249b228d9c69521f686d4a9e58c7 [1,1,0,0,0,0|2,0,0]=4 9167 B11R0.3 C=CCCCCCCNCCBr 2c05498f95e69c90df5041d2dad3d87d [1,1,0,0,0,0|2,0,0]=4 9168 B11R0.3 C=CCCCCCCNCCC a40bb91c630069b9a44746e8fb1ba5be [1,1,0,0,0,0|1,0,0]=3 9169 B11R0.3 C=CCCCCCCNCCF d92840ca8df9ce4d78866dfc97e5672b [1,1,0,0,0,0|2,0,0]=4 9170 B11R0.3 C=CCCCCCCNCCI a654cb2779351e00ab509aeee1415718 [1,1,0,0,0,0|2,0,0]=4 9171 B11R0.3 C=CCCCCCCNCCO 2c9abafa186d2b5691cddaec3db0e98a [1,1,0,0,0,0|2,0,0]=4 9172 B11R0.3 C=CCCCCCCNCCS e7a9c4131e06e0cb3500d33497915b53 [1,1,0,0,0,0|2,0,0]=4 9173 B11R0.3 C=CCCCCCCOCC=O 95a6faf93a2a1e9e5b0e9707cc2419c6 [1,1,0,0,0,0|0,0,2]=4 9174 B11R0.3 C=CCCCCCCOCCC af0fc2056d78c68262c9655cb905d458 [1,1,0,0,0,0|1,0,0]=3 9175 B11R0.3 C=CCCCCCCOCCF 5961db8943a81edbbd0ef67a0dbc9cd0 [1,1,0,0,0,0|2,0,0]=4 9176 B11R0.3 C=CCCCCCCOCCS c6d9ee1d3908efa0a8693a557ea93275 [1,1,0,0,0,0|2,0,0]=4 9177 B11R0.3 C=CCCCCCCOCOC 4bb0e749ca5cca8dfa5b022fe5af6c34 [1,1,0,0,0,0|2,0,0]=4 9178 B11R0.3 C=CCCCCCCOCSC 0749bb539c45c5c1e49b51b6151473c0 [1,1,0,0,0,0|2,0,0]=4 9179 B11R0.3 C=CCCCCCNCCC=O 1e409b9944f6189c10735b36f975897c [1,1,0,0,0,0|0,0,2]=4 9180 B11R0.3 C=CCCCCCNCCCC 009368897ac39b99fc20760d8f7a7a77 [1,1,0,0,0,0|1,0,0]=3 9181 B11R0.3 C=CCCCCCNCCCCl 09dfe18013515b26584005f3a021a915 [1,1,0,0,0,0|2,0,0]=4 9182 B11R0.3 C=CCCCCCNCCCF 1ae72dd4ccda3fa7c24820119c92ce2a [1,1,0,0,0,0|2,0,0]=4 9183 B11R0.3 C=CCCCCCNCCCO 96e9a84a1f13802799f12ff9218c17fe [1,1,0,0,0,0|2,0,0]=4 9184 B11R0.3 C=CCCCCCNCCCS b2aa653c074a7ed9b40f15aebf4e6a0f [1,1,0,0,0,0|2,0,0]=4 9185 B11R0.3 C=CCCCCCNCCOC b39b20556e9ace5e00358650f9657ead [1,1,0,0,0,0|2,0,0]=4 9186 B11R0.3 C=CCCCCCNCCSC 03250f27acb49100a7d183a633179854 [1,1,0,0,0,0|2,0,0]=4 9187 B11R0.3 C=CCCCCCNCOCC a4a984cc49fb399b4f0f6c63b5f1062f [1,1,0,0,0,0|2,0,0]=4 9188 B11R0.3 C=CCCCCCOCCC=O 87264142ebb2ce7fb13e032ce4b50092 [1,1,0,0,0,0|0,0,2]=4 9189 B11R0.3 C=CCCCCCOCCCC 580bca9ccc39bf087cb9fbf52b121e2d [1,1,0,0,0,0|1,0,0]=3 9190 B11R0.3 C=CCCCCCOCCCF 24a46a32f89a0fe4b574efb8fafecc42 [1,1,0,0,0,0|2,0,0]=4 9191 B11R0.3 C=CCCCCCOCCCS a15cb655e05011a26384140c45b6310d [1,1,0,0,0,0|2,0,0]=4 9192 B11R0.3 C=CCCCCCOCCOC ea4963199fea63ca489aa0221e3da1f5 [1,1,0,0,0,0|2,0,0]=4 9193 B11R0.3 C=CCCCCCOCCSC 9a2db9941cc688895fa25ccaeb85d81c [1,1,0,0,0,0|2,0,0]=4 9194 B11R0.3 C=CCCCCCOCOCC fdaa340eb48847d3150c4eb60e84f2bb [1,1,0,0,0,0|2,0,0]=4 9195 B11R0.3 C=CCCCCNCCCC=O 42acc17f97f6a3bdebd9fcb4df16c2e3 [1,1,0,0,0,0|0,0,2]=4 9196 B11R0.3 C=CCCCCNCCCCC c38c9382edb4f72ed2fe2f11cb49092f [1,1,0,0,0,0|1,0,0]=3 9197 B11R0.3 C=CCCCCNCCCCCl bf6c2281c4073566b29818bf3b7b16fe [1,1,0,0,0,0|2,0,0]=4 9198 B11R0.3 C=CCCCCNCCCCF 9a88c2fa76a36a9846c8dd2998158365 [1,1,0,0,0,0|2,0,0]=4 9199 B11R0.3 C=CCCCCNCCCCO 5dd011111637e0f5e3ce1284d3335035 [1,1,0,0,0,0|2,0,0]=4 9200 B11R0.3 C=CCCCCNCCCCS 077daa8b08b43995d649c9690315a327 [1,1,0,0,0,0|2,0,0]=4 9201 B11R0.3 C=CCCCCNCCCOC a13100beab3a0718d419d0d3a9811bb3 [1,1,0,0,0,0|2,0,0]=4 9202 B11R0.3 C=CCCCCNCCCSC c38b1574aa1e858b83fa8c2f072a342a [1,1,0,0,0,0|2,0,0]=4 9203 B11R0.3 C=CCCCCNCCOCC 643d262054b245be01c65e462030e044 [1,1,0,0,0,0|2,0,0]=4 9204 B11R0.3 C=CCCCCNCCSCC d01be9aac7a7476f05b45d22269442a2 [1,1,0,0,0,0|2,0,0]=4 9205 B11R0.3 C=CCCCCOCCCC=O 8bc1c5bae0b5e4e93d2bd2125d67bc10 [1,1,0,0,0,0|0,0,2]=4 9206 B11R0.3 C=CCCCCOCCCCC 8b612cdb52ccc179804553965ee56419 [1,1,0,0,0,0|1,0,0]=3 9207 B11R0.3 C=CCCCCOCCCCF 30fa2ea128edfb6a84457832f1bc2512 [1,1,0,0,0,0|2,0,0]=4 9208 B11R0.3 C=CCCCCOCCCCS 3ea3211ba2364761ad6e77f40ae623dc [1,1,0,0,0,0|2,0,0]=4 9209 B11R0.3 C=CCCCCOCCCOC 96a3354e2cac9e46ea9ff19d896f2eb7 [1,1,0,0,0,0|2,0,0]=4 9210 B11R0.3 C=CCCCCOCCCSC 39892027f6b2ef9601ae41bdedcff3a8 [1,1,0,0,0,0|2,0,0]=4 9211 B11R0.3 C=CCCCCOCCOCC ea7e4b2e8d79312418fa6b2873662732 [1,1,0,0,0,0|2,0,0]=4 9212 B11R0.3 C=CCCCCOCCSCC 4045736ed73a206e236650d89114b1de [1,1,0,0,0,0|2,0,0]=4 9213 B11R0.3 C=CCCCNCCCCC=O b4f04e9d901316e1799a182353a580e5 [1,1,0,0,0,0|0,0,2]=4 9214 B11R0.3 C=CCCCNCCCCCC 76af61b3540584ce9d68dfdb439ae738 [1,1,0,0,0,0|1,0,0]=3 9215 B11R0.3 C=CCCCNCCCCCCl b2beaea8e1665101cedf5b03ce0a3135 [1,1,0,0,0,0|2,0,0]=4 9216 B11R0.3 C=CCCCNCCCCCF 70be3f1548118068c06efe6b86499984 [1,1,0,0,0,0|2,0,0]=4 9217 B11R0.3 C=CCCCNCCCCCO ed7a1c0d1a7ad4c234f4ec30bd6073b5 [1,1,0,0,0,0|2,0,0]=4 9218 B11R0.3 C=CCCCNCCCCOC 13ae4ee90bfd22e14ee349fe84b44633 [1,1,0,0,0,0|2,0,0]=4 9219 B11R0.3 C=CCCCNCCCCSC 53dde2f1dca9d54dad98c0320daaf970 [1,1,0,0,0,0|2,0,0]=4 9220 B11R0.3 C=CCCCNCCCOCC a066ff6cf5f9817ff17ad4be646d2637 [1,1,0,0,0,0|2,0,0]=4 9221 B11R0.3 C=CCCCNCCCSCC ac55dc55e3168caa71c7436f6550e66a [1,1,0,0,0,0|2,0,0]=4 9222 B11R0.3 C=CCCCNCCOCCC 4574cab9b2b3ba10d52b9a7450a33391 [1,1,0,0,0,0|2,0,0]=4 9223 B11R0.3 C=CCCCNCOCCCC 9a8ece2253a6b232efd2d7cc49a802eb [1,1,0,0,0,0|2,0,0]=4 9224 B11R0.3 C=CCCCOCCCCC=O 3cfc81eb47355d9e2f69b6bc64854e18 [1,1,0,0,0,0|0,0,2]=4 9225 B11R0.3 C=CCCCOCCCCCC 7b128642b816d84d36be162dfb6b66f7 [1,1,0,0,0,0|1,0,0]=3 9226 B11R0.3 C=CCCCOCCCCCF ed617faee53e0d6da0f041b207555b13 [1,1,0,0,0,0|2,0,0]=4 9227 B11R0.3 C=CCCCOCCCCOC 81cdfcbd233ace056bb1a6e74584759b [1,1,0,0,0,0|2,0,0]=4 9228 B11R0.3 C=CCCCOCCCCSC ec38d71477d31728526e4a52731e2b89 [1,1,0,0,0,0|2,0,0]=4 9229 B11R0.3 C=CCCCOCCCOCC 9c3d0cc3a5e196669aed4f0881723867 [1,1,0,0,0,0|2,0,0]=4 9230 B11R0.3 C=CCCCOCCCSCC 57985619a5650688aa9830785b6e805a [1,1,0,0,0,0|2,0,0]=4 9231 B11R0.3 C=CCCCOCCOCCC 32f13474234b8279ad0cfa90e9e6e9fc [1,1,0,0,0,0|2,0,0]=4 9232 B11R0.3 C=CCCCOCCSCCC 7e5220ce84dd6a1a50874a195a971d93 [1,1,0,0,0,0|2,0,0]=4 9233 B11R0.3 C=CCCCOCOCCCC 6a4c2cebb1d85f2830ed3af54dc4723e [1,1,0,0,0,0|2,0,0]=4 9234 B11R0.3 C=CCCNCCCCCC=O ab5041ad18d920e22f404fe453f4d71e [1,1,0,0,0,0|0,0,2]=4 9235 B11R0.3 C=CCCNCCCCCCC ce62f32ebc0ff4d7c79abb8227eba886 [1,1,0,0,0,0|1,0,0]=3 9236 B11R0.3 C=CCCNCCCCCCCl c5391ff4e8b2661a4d15d0d9d68f0ea2 [1,1,0,0,0,0|2,0,0]=4 9237 B11R0.3 C=CCCNCCCCCCF 96608bc5b0b1991b887290fb940a1233 [1,1,0,0,0,0|2,0,0]=4 9238 B11R0.3 C=CCCNCCCCCCO eac0a933f6408e6c89b8d8d5b327ef77 [1,1,0,0,0,0|2,0,0]=4 9239 B11R0.3 C=CCCNCCCCCOC e94e2a0d0568da90af7515b6bfeb3db5 [1,1,0,0,0,0|2,0,0]=4 9240 B11R0.3 C=CCCNCCCCSCC b263f09ca351ba28ea5b018d3b2637d5 [1,1,0,0,0,0|2,0,0]=4 9241 B11R0.3 C=CCCNCCCOCCC e083677f6541af9ec78b14fe87ea1991 [1,1,0,0,0,0|2,0,0]=4 9242 B11R0.3 C=CCCNCCOCCCC b9a8152b16384b4641135fb64d28278c [1,1,0,0,0,0|2,0,0]=4 9243 B11R0.3 C=CCCOCCCCCC=O 416d3ad007ca1f20172aed4c5d0c5b0f [1,1,0,0,0,0|0,0,2]=4 9244 B11R0.3 C=CCCOCCCCCCC 8d06e26ebbdf8e7dffb8f7a6170401d7 [1,1,0,0,0,0|1,0,0]=3 9245 B11R0.3 C=CCCOCCCCCCF 034f47757fc3057a19b106b427d77de4 [1,1,0,0,0,0|2,0,0]=4 9246 B11R0.3 C=CCCOCCCCCCS a14bbc3920754f3bae6049e5fbd834a0 [1,1,0,0,0,0|2,0,0]=4 9247 B11R0.3 C=CCCOCCCCCOC eb6189d8bd262f7d4c84b16322d40630 [1,1,0,0,0,0|2,0,0]=4 9248 B11R0.3 C=CCCOCCCOCCC a4f93f282b0ac7a5b2aa10a2c9831f89 [1,1,0,0,0,0|2,0,0]=4 9249 B11R0.3 C=CCCOCCOCCCC ceb27f8fc00757cd247493790fef63e6 [1,1,0,0,0,0|2,0,0]=4 9250 B11R0.3 C=CCCOCCSCCCC b5254fdb9c7a41ce55524d0e27d02f4b [1,1,0,0,0,0|2,0,0]=4 9251 B11R0.3 C=CCNCCCCCCCC bfc9a2fcdb2e10a56b8cbe225faaa255 [1,1,0,0,0,0|1,0,0]=3 9252 B11R0.3 C=CCNCCCCCCCO b42362915ec5348648478b7195305a17 [1,1,0,0,0,0|2,0,0]=4 9253 B11R0.3 C=CCNCCCCSCCC 063f62bc98d9c508c278041b0c14230d [1,1,0,0,0,0|2,0,0]=4 9254 B11R0.3 C=CCNCCCOCCCC 7f8dc0700cf351cc0dd95bb1c92bf8c4 [1,1,0,0,0,0|2,0,0]=4 9255 B11R0.3 C=CCOCCCCCCCC 49a99e47fdc5a48a8387d42d9cb8bfc1 [1,1,0,0,0,0|1,0,0]=3 9256 B11R0.3 C=CCOCCCCCCOC 01d8c9b2a51c7c1f840d8ed2e9a6d6b3 [1,1,0,0,0,0|2,0,0]=4 9257 B11R0.3 C=CCOCCCOCCCC 7d4ff83f0ed1b9ca130ff94d54921788 [1,1,0,0,0,0|2,0,0]=4 9258 B11R0.3 C=CCOCCNCCCCC ffc64d5e7f7f8e29a878d7dda7da1add [1,1,0,0,0,0|2,0,0]=4 9259 B11R0.3 C=CCOCCOCCCCC 383584e1a2897187a25e8d7f909c2c01 [1,1,0,0,0,0|2,0,0]=4 9260 B11R0.3 C=COCCCCOCCCC 249c199e1816d108ff922c0d53957218 [1,1,0,0,0,0|2,0,0]=4 9261 B11R0.3 C=COCCCNCCCCC 0c8081fe0641b0cf6cc1dee98c3da909 [1,1,0,0,0,0|2,0,0]=4 9262 B11R0.3 C=COCCNCCCCCC bf6cc8dc48a78c74966e5e61af482126 [1,1,0,0,0,0|2,0,0]=4 9263 B11R0.3 C=COCCOCCCCCC c4fbe42354451c2e8756a643fb897441 [1,1,0,0,0,0|2,0,0]=4 9264 B11R0.3 CC#CCCCOCCCC=O 53864b650d3bbc2a3a0cf3a3af9906d2 [1,1,0,0,0,0|0,0,2]=4 9265 B11R0.3 CC#CCCOCCCCC=O 169896b9d2c1db4fd3725d24df75fc76 [1,1,0,0,0,0|0,0,2]=4 9266 B11R0.3 CC#CCNCCCCCC=O 68c2832f6cb2407a428296af937e1d78 [1,1,0,0,0,0|0,0,2]=4 9267 B11R0.3 CC#CCOCCCCCC=O af52ec11550476b618aa841bbe7332b0 [1,1,0,0,0,0|0,0,2]=4 9268 B11R0.3 CC/C=C/CCOCCCC=O 79e09c746fec07f02c875cafd0d74dfe [1,1,0,0,0,0|0,0,2]=4 9269 B11R0.3 CC/C=C/COCCCCC=O 506cc39572219735fcb7f1d39b2d0883 [1,1,0,0,0,0|0,0,2]=4 9270 B11R0.3 CC/C=C\CCCCOCC=O b5f80b1483dedcb31839f7941e987188 [1,1,0,0,0,0|0,0,2]=4 9271 B11R0.3 CC/C=C\CCCOCCC=O 741499873b60375251ed2f97fbdcc1a0 [1,1,0,0,0,0|0,0,2]=4 9272 B11R0.3 CC/C=C\CCOCCCC=O d9f9e81c0e1218665dea141d10997379 [1,1,0,0,0,0|0,0,2]=4 9273 B11R0.3 CC/C=C\COCCCCC=O d1a0537fc70aac4ac5902cd573d12350 [1,1,0,0,0,0|0,0,2]=4 9274 B11R0.3 CC=CCCCOCCCC=O de5095d65c7ef50436cd82d28dece0dc [1,1,0,0,0,0|0,0,2]=4 9275 B11R0.3 CC=CCCCOCCCCC 150b13ec9b2c10d3b11289990257ead7 [1,1,0,0,0,0|1,0,1]=4 9276 B11R0.3 CC=CCNCCCCCC=O d5b11777982cc0778e5c44030b28be26 [1,1,0,0,0,0|0,0,2]=4 9277 B11R0.3 CC=CCNCCCCCCC 7008f5a91daa02e914ed344aafa7e9d0 [1,1,0,0,0,0|1,0,1]=4 9278 B11R0.3 CC=CCOCCCCCC=O 593c902611cc57a64bfe84343d2aa1d0 [1,1,0,0,0,0|0,0,2]=4 9279 B11R0.3 CC=CCOCCCCCCC 46a2177b7fee8ebd05148c40489b256d [1,1,0,0,0,0|1,0,1]=4 9280 B11R0.3 CCC#CCCOCCCC=O 29bede86558c08b637fc4d71373fe9e4 [1,1,0,0,0,0|0,0,2]=4 9281 B11R0.3 CCC#CCOCCCCC=O 22187454d8110a759711d6dd8bc5ecab [1,1,0,0,0,0|0,0,2]=4 9282 B11R0.3 CCC/C=C/CCCOCC=O 80b0453301dde9f22c59a805454d1105 [1,1,0,0,0,0|0,0,2]=4 9283 B11R0.3 CCC/C=C/COCCCC=O 68fa2dbb50a3d6a5fa866aec83a64e72 [1,1,0,0,0,0|0,0,2]=4 9284 B11R0.3 CCC/C=C\CCCOCC=O 46aaea05e98f74a03f8a24aa62e33886 [1,1,0,0,0,0|0,0,2]=4 9285 B11R0.3 CCC/C=C\CCOCCC=O d4f37345b92910f6955592ce6a7812ec [1,1,0,0,0,0|0,0,2]=4 9286 B11R0.3 CCC/C=C\COCCCC=O a84ae4db9b72baac18c30307a69923a7 [1,1,0,0,0,0|0,0,2]=4 9287 B11R0.3 CCCC#CCCOCCC=O f7fb211900151aa06c4b060596b88c19 [1,1,0,0,0,0|0,0,2]=4 9288 B11R0.3 CCCC#CCOCCCC=O fc1171aaa9079d9d7e3f35543febd14c [1,1,0,0,0,0|0,0,2]=4 9289 B11R0.3 CCCC/C=C/COCCC=O 996c1987da4a51ea390a546a562a66e0 [1,1,0,0,0,0|0,0,2]=4 9290 B11R0.3 CCCC/C=C\CCOCC=O 428ff61283dc9d2499be62dbf6609444 [1,1,0,0,0,0|0,0,2]=4 9291 B11R0.3 CCCC/C=C\COCCC=O 5a779b20b65c7877fc533ae569ce2526 [1,1,0,0,0,0|0,0,2]=4 9292 B11R0.3 CCCCC#CCCOCC=O e4b95de3f944326dd535819a72acf343 [1,1,0,0,0,0|0,0,2]=4 9293 B11R0.3 CCCCC#CCOCCC=O f89730049bfdea7506ba58eb0ac18af5 [1,1,0,0,0,0|0,0,2]=4 9294 B11R0.3 CCCCC/C=C/COCC=O 2558cf6cdbd0d16b04fc977fd006358a [1,1,0,0,0,0|0,0,2]=4 9295 B11R0.3 CCCCCC#CCOCC=O 18e2bc325e3b4f75b76d9abf0f560413 [1,1,0,0,0,0|0,0,2]=4 9296 B11R0.3 CCCCCCCCCNC#N 6b046d3912028b93959cb4e452afd1ae [1,1,0,0,0,0|1,0,1]=4 9297 B11R0.3 CCCCCCCCCNC=O 450ec7c17222bfa50b1bec9a4e76d3ac [1,1,0,0,0,0|0,0,0]=2 9298 B11R0.3 CCCCCCCCCNCC b6539dc308d63bc638f757291d8ebf84 [1,1,0,0,0,0|1,0,1]=4 9299 B11R0.3 CCCCCCCCCNCF 43bd644c8c480de2fb259821f0ab90b3 [1,1,0,0,0,0|1,0,1]=4 9300 B11R0.3 CCCCCCCCCNCO cabb056dd32239ed577df722d85b0dd4 [1,1,0,0,0,0|0,0,1]=3 9301 B11R0.3 CCCCCCCCCOCC 2da72f808296172141d037a9a0e922cc [1,1,0,0,0,0|1,0,1]=4 9302 B11R0.3 CCCCCCCCCOCF c4f834bdcd233b73d7c8d340364a980d [1,1,0,0,0,0|1,0,1]=4 9303 B11R0.3 CCCCCCCCNCC#N e1e1fda8b8bfebd20bf6e7275805690a [1,1,0,0,0,0|1,0,1]=4 9304 B11R0.3 CCCCCCCCNCC=O d9ced648acece07efb5d33c320d8dadf [1,1,0,0,0,0|0,0,0]=2 9305 B11R0.3 CCCCCCCCNCCBr 124dad0af09f96099c60b552aee5a73e [1,1,0,0,0,0|1,0,1]=4 9306 B11R0.3 CCCCCCCCNCCC 5c5d2b2d5b77701c078b7890315f6ed4 [1,1,0,0,0,0|1,0,1]=4 9307 B11R0.3 CCCCCCCCNCCF 2e0818a402ab846cf4daf1ebdd30c4d5 [1,1,0,0,0,0|1,0,1]=4 9308 B11R0.3 CCCCCCCCNCCI f2e870159bc574809ce3c7c46c194254 [1,1,0,0,0,0|1,0,1]=4 9309 B11R0.3 CCCCCCCCNCCO 66f15a321d735f67e99bb8bf0677de73 [1,1,0,0,0,0|0,0,1]=3 9310 B11R0.3 CCCCCCCCNCCS 9963fd311d7de210a2e1fa6fd8d2fe1f [1,1,0,0,0,0|0,1,1]=4 9311 B11R0.3 CCCCCCCCNCOC e4b94b479e34a7870530ff5432c0561c [1,1,0,0,0,0|1,0,1]=4 9312 B11R0.3 CCCCCCCCNCSC 362d682105cf82dab99b537514fd044b [1,1,0,0,0,0|2,0,0]=4 9313 B11R0.3 CCCCCCCCOCC#N 34434fafb1978e779020a7eb19fa5664 [1,1,0,0,0,0|1,0,1]=4 9314 B11R0.3 CCCCCCCCOCC=O 4b7128d965398d7a6aa7d6d1f071599b [1,1,0,0,0,0|0,0,0]=2 9315 B11R0.3 CCCCCCCCOCCC 5c55f182a5e0d29dd20e8f79767e7a77 [1,1,0,0,0,0|1,0,1]=4 9316 B11R0.3 CCCCCCCCOCCF e0dea6108899e149ace708160dd5e19a [1,1,0,0,0,0|1,0,1]=4 9317 B11R0.3 CCCCCCCCOCCS 51f3fbaf4c38beeef65f454daef36ed1 [1,1,0,0,0,0|0,1,1]=4 9318 B11R0.3 CCCCCCCCOCOC 7ef1d4d105bdb76da628aa577a4e9370 [1,1,0,0,0,0|1,0,1]=4 9319 B11R0.3 CCCCCCCCOCSC d725b23a00487d8000b0509a053a76b7 [1,1,0,0,0,0|2,0,0]=4 9320 B11R0.3 CCCCCCCNC/C=C/Cl 637e7cc26c94edd1a7a07e5f341a649f [1,1,0,0,0,0|1,0,1]=4 9321 B11R0.3 CCCCCCCNC/C=C\Cl fceca85c8e58a288d7d9b590362e2068 [1,1,0,0,0,0|1,0,1]=4 9322 B11R0.3 CCCCCCCNC/C=C\O 68625962180e5c7cd6474c4bc6a5cb81 [1,1,0,0,0,0|0,0,1]=3 9323 B11R0.3 CCCCCCCNCCC#N b0447ed3ec330f598048ce2912e32794 [1,1,0,0,0,0|1,0,1]=4 9324 B11R0.3 CCCCCCCNCCC=O 89a048b0cb7fedfdc94b7b98d38db122 [1,1,0,0,0,0|0,0,0]=2 9325 B11R0.3 CCCCCCCNCCCC 36a5fecc81cda5ee533584053ef52c12 [1,1,0,0,0,0|1,0,1]=4 9326 B11R0.3 CCCCCCCNCCCCl f8ee8ff116da89d7af5396839da83b0c [1,1,0,0,0,0|1,0,1]=4 9327 B11R0.3 CCCCCCCNCCCF 906b08ea9b84bc278513d70a1bf0318f [1,1,0,0,0,0|1,0,1]=4 9328 B11R0.3 CCCCCCCNCCCO 15d41c00a29a7860828561fb02e66224 [1,1,0,0,0,0|0,0,1]=3 9329 B11R0.3 CCCCCCCNCCCS ecfb391744e4cf619ddb1431239249a3 [1,1,0,0,0,0|0,1,1]=4 9330 B11R0.3 CCCCCCCNCCOC 69cf410dbcae6250fa43ef62a2e446b9 [1,1,0,0,0,0|1,0,1]=4 9331 B11R0.3 CCCCCCCNCCON f930113a4574fbb3a759a5d6a5f56fb3 [1,1,0,0,0,0|1,0,1]=4 9332 B11R0.3 CCCCCCCNCCSC f2bda9ff673c32e61a51af258486ce04 [1,1,0,0,0,0|2,0,0]=4 9333 B11R0.3 CCCCCCCOC/C=C/Cl dffe18752c234ea481b343adb229ea78 [1,1,0,0,0,0|1,0,1]=4 9334 B11R0.3 CCCCCCCOC/C=C\Cl c43cba169af3591ad88223be073855c8 [1,1,0,0,0,0|1,0,1]=4 9335 B11R0.3 CCCCCCCOCC=CCl a695a2b133c28c6337341b52e4d6b842 [1,1,0,0,0,0|1,0,1]=4 9336 B11R0.3 CCCCCCCOCCC#N 2388aa86a539f8b7a76d16bb5de46da1 [1,1,0,0,0,0|1,0,1]=4 9337 B11R0.3 CCCCCCCOCCC=O 5cfef64155cbae6dbc467da4dd4c8b26 [1,1,0,0,0,0|0,0,0]=2 9338 B11R0.3 CCCCCCCOCCCC fa9669fb11a16db471e00134e33ec65d [1,1,0,0,0,0|1,0,1]=4 9339 B11R0.3 CCCCCCCOCCCF dc30ed190709942ca9892214ca06d346 [1,1,0,0,0,0|1,0,1]=4 9340 B11R0.3 CCCCCCCOCCCS 94ae84f911d880b1b60e67d5fe9456f9 [1,1,0,0,0,0|0,1,1]=4 9341 B11R0.3 CCCCCCCOCCOC da632fd4c8dbaa7e736986371e70812f [1,1,0,0,0,0|1,0,1]=4 9342 B11R0.3 CCCCCCCOCCSC 5d28dcb16e772f4082853bfc4000554e [1,1,0,0,0,0|2,0,0]=4 9343 B11R0.3 CCCCCCNCCCC#N 6450adec55a2d1c5eb37d2630fc1a8de [1,1,0,0,0,0|1,0,1]=4 9344 B11R0.3 CCCCCCNCCCC=O 30f6c36223cd033769b129f975d8cef5 [1,1,0,0,0,0|0,0,0]=2 9345 B11R0.3 CCCCCCNCCCCC 49296b0c254283861aea5ee041198391 [1,1,0,0,0,0|1,0,1]=4 9346 B11R0.3 CCCCCCNCCCCCl c3c1177d24b9e0eb9ac340c3d5d2e01b [1,1,0,0,0,0|1,0,1]=4 9347 B11R0.3 CCCCCCNCCCCF 848e11d8bf36fce980201576831556b2 [1,1,0,0,0,0|1,0,1]=4 9348 B11R0.3 CCCCCCNCCCCO 5685819b9fdb19d77b1eb89b122e386d [1,1,0,0,0,0|0,0,1]=3 9349 B11R0.3 CCCCCCNCCCCS 7732486ecc35b82a80124c607ae7d41e [1,1,0,0,0,0|0,1,1]=4 9350 B11R0.3 CCCCCCNCCCOC bde578c8d9647d5e2aa98bc1bfc21a23 [1,1,0,0,0,0|1,0,1]=4 9351 B11R0.3 CCCCCCNCCCSC fc46d58af1e179cb34e9472ac483e123 [1,1,0,0,0,0|2,0,0]=4 9352 B11R0.3 CCCCCCOC/C=C/C=O 9cadfea2bf1cb801e0e16e78abb3d717 [1,1,0,0,0,0|0,0,2]=4 9353 B11R0.3 CCCCCCOCCCC#N 8b95e943d69c5b284df97a18edf37768 [1,1,0,0,0,0|1,0,1]=4 9354 B11R0.3 CCCCCCOCCCC=O 30a74e5ed2ff3a69b75905a761317e27 [1,1,0,0,0,0|0,0,0]=2 9355 B11R0.3 CCCCCCOCCCCC b4a731a4f44998aaa50eb10174d909fa [1,1,0,0,0,0|1,0,1]=4 9356 B11R0.3 CCCCCCOCCCCF 3b92ad47d9a4134451da9c78fd137d31 [1,1,0,0,0,0|1,0,1]=4 9357 B11R0.3 CCCCCCOCCCCS 50e196097c995a826b03c4a2c09a8f26 [1,1,0,0,0,0|0,1,1]=4 9358 B11R0.3 CCCCCCOCCCOC dc5eb90e321eb6669467912229a368ab [1,1,0,0,0,0|1,0,1]=4 9359 B11R0.3 CCCCCCOCCCSC e0ec46f8980185e6f6c90003593ede81 [1,1,0,0,0,0|2,0,0]=4 9360 B11R0.3 CCCCCCOCCNC=O fb691e1018824f2a54738e457bcaa32e [1,1,0,0,0,0|1,0,0]=3 9361 B11R0.3 CCCCCCOCCOC=O 226f5a01dfb1a391bf569a589b2c506d [1,1,0,0,0,0|1,0,0]=3 9362 B11R0.3 CCCCCNCCCCC#N eb4135188e2d680585d29cce5b56439d [1,1,0,0,0,0|1,0,1]=4 9363 B11R0.3 CCCCCNCCCCC=O ea129e49922b9d9682c373f7b912d205 [1,1,0,0,0,0|0,0,0]=2 9364 B11R0.3 CCCCCNCCCCCCl 8783a25d6d8306abaf43939f196da13e [1,1,0,0,0,0|1,0,1]=4 9365 B11R0.3 CCCCCNCCCCCF 13994f1eacfc3326220fe95f954366d9 [1,1,0,0,0,0|1,0,1]=4 9366 B11R0.3 CCCCCNCCCCCO 25d0eeb8faa7e77d0c7bc79c155084c3 [1,1,0,0,0,0|0,0,1]=3 9367 B11R0.3 CCCCCNCCCCOC 1ef55758759e7ac820d731e56ffe4a29 [1,1,0,0,0,0|1,0,1]=4 9368 B11R0.3 CCCCCNCCCCON 968b80605571535120584fa7e4f227ef [1,1,0,0,0,0|1,0,1]=4 9369 B11R0.3 CCCCCNCCCCSC 0e86bbf15c8e0b3c51d16bee56db84ad [1,1,0,0,0,0|2,0,0]=4 9370 B11R0.3 CCCCCNCCOCC=O 3f66e4524b397737ead1caa774dffa49 [1,1,0,0,0,0|1,0,0]=3 9371 B11R0.3 CCCCCNCCOCCO fe9162f54b5101a557bba86a31ce07e5 [1,1,0,0,0,0|1,0,1]=4 9372 B11R0.3 CCCCCNCCSCCO 7d0503daebc22b82247020334837979c [1,1,0,0,0,0|1,0,1]=4 9373 B11R0.3 CCCCCOCCCCC#N f774131c704fd02fd207b4ec8d1ef232 [1,1,0,0,0,0|1,0,1]=4 9374 B11R0.3 CCCCCOCCCCC=O be490e978aa800d48e6bb71673802e8a [1,1,0,0,0,0|0,0,0]=2 9375 B11R0.3 CCCCCOCCCCCF 755ae0a673d39bfc480773c3054368e3 [1,1,0,0,0,0|1,0,1]=4 9376 B11R0.3 CCCCCOCCCCOC 77f881265088d5fcfbbfeeadfcdedbe3 [1,1,0,0,0,0|1,0,1]=4 9377 B11R0.3 CCCCCOCCCCSC e423c097bc9500af43acd216c26ed988 [1,1,0,0,0,0|2,0,0]=4 9378 B11R0.3 CCCCCOCCOCC=O 02ddde86fbfd038a8465e02660be3929 [1,1,0,0,0,0|1,0,0]=3 9379 B11R0.3 CCCCNCCCCCC#N 0b58e470868dddf2978a6494ab4f0fc0 [1,1,0,0,0,0|1,0,1]=4 9380 B11R0.3 CCCCNCCCCCC=O 80098dd3accdff0dd2fb7e04b95bf055 [1,1,0,0,0,0|0,0,0]=2 9381 B11R0.3 CCCCNCCCCCCCl 3bdcfd90cd17bd199a4e9bcc6247866f [1,1,0,0,0,0|1,0,1]=4 9382 B11R0.3 CCCCNCCCCCCF 792221cff14901f03892dd5847f325ff [1,1,0,0,0,0|1,0,1]=4 9383 B11R0.3 CCCCNCCCCCCO 18d6e73a0410fdb75fe54fc241b9d145 [1,1,0,0,0,0|0,0,1]=3 9384 B11R0.3 CCCCNCCCCCOC 39dd48d6a9a161764daafb8fcb68720b [1,1,0,0,0,0|1,0,1]=4 9385 B11R0.3 CCCCNCCCOCCO 32850fa71b14884181218189c49377fe [1,1,0,0,0,0|1,0,1]=4 9386 B11R0.3 CCCCNCCOCCCO eab03d027dc4b54efeffdb94ff865b0b [1,1,0,0,0,0|1,0,1]=4 9387 B11R0.3 CCCCOCCCCCC#N 14326dc401f4384d520a1d249b9ed9e3 [1,1,0,0,0,0|1,0,1]=4 9388 B11R0.3 CCCCOCCCCCC=O ab5f42922e3122d7a63b27a5b77b4744 [1,1,0,0,0,0|0,0,0]=2 9389 B11R0.3 CCCCOCCCCCCF e6318e3fdcb569518cd3fe082761a6a1 [1,1,0,0,0,0|1,0,1]=4 9390 B11R0.3 CCCCOCCCCCCS fa2178b537fd8baeb81a0372c65e968c [1,1,0,0,0,0|0,1,1]=4 9391 B11R0.3 CCCCOCCCCCOC c4be7294b2a58faf58d44793b81a4f41 [1,1,0,0,0,0|1,0,1]=4 9392 B11R0.3 CCCCOCCCNCC=O 51360668e4805437707a653afd61126e [1,1,0,0,0,0|1,0,0]=3 9393 B11R0.3 CCCCOCCCNCCO 1b728ab01da5a5273aeb7ba49c7ed3e1 [1,1,0,0,0,0|1,0,1]=4 9394 B11R0.3 CCCCOCCCOCC=O 94ff9f42eaa47cb79d9ba42d23166912 [1,1,0,0,0,0|1,0,0]=3 9395 B11R0.3 CCCCOCCNC/C=C\O 000a296b7b08a321d5a8503d9f08c47e [1,1,0,0,0,0|1,0,1]=4 9396 B11R0.3 CCCCOCCNCCC=O a8d444442f32a79dfd039375bf013d64 [1,1,0,0,0,0|1,0,0]=3 9397 B11R0.3 CCCCOCCNCCCO 5340adda7912922acbc1b94ebf3c67dd [1,1,0,0,0,0|1,0,1]=4 9398 B11R0.3 CCCCOCCOCCC=O 43bb9167f0019e7bf4dd6a6d2a1293b6 [1,1,0,0,0,0|1,0,0]=3 9399 B11R0.3 CCCCOCNCCCCO 70ef0ffa58df078c8e0d364ca5d503e8 [1,1,0,0,0,0|1,0,1]=4 9400 B11R0.3 CCCCOCOCCCC=O 2dac90867554786743bc67cb942b0c1a [1,1,0,0,0,0|1,0,0]=3 9401 B11R0.3 CCCCOCOCCNC=O b061dbbd8427d0e92aa16205480c8fde [1,1,0,0,0,0|2,0,0]=4 9402 B11R0.3 CCCCOCOCCOC=O 45658f95e104830b11b50a0c60d7de55 [1,1,0,0,0,0|2,0,0]=4 9403 B11R0.3 CCCCSCCOCCC=O 8fd98b5bde311fa54965c83769620999 [1,1,0,0,0,0|1,0,0]=3 9404 B11R0.3 CCCNCCCCCCC#N 4a03a665874c81a396d2599457d6ffb2 [1,1,0,0,0,0|1,0,1]=4 9405 B11R0.3 CCCNCCCCCCC=O c21851ba291c00a5db0d5d6b91dbd36c [1,1,0,0,0,0|0,0,0]=2 9406 B11R0.3 CCCNCCCCCCCO b9bdd5d4ba49cb40d08e76ab3ff5907d [1,1,0,0,0,0|0,0,1]=3 9407 B11R0.3 CCCNCCCCCCOC 4cc724ecdc92cad169e909d861e0a8d7 [1,1,0,0,0,0|1,0,1]=4 9408 B11R0.3 CCCNCCCCSCCO d04bddeaa2a1cf092556151ae569625c [1,1,0,0,0,0|1,0,1]=4 9409 B11R0.3 CCCNCCCOCCCO cc7c88677b085dca732d7c038ed7b397 [1,1,0,0,0,0|1,0,1]=4 9410 B11R0.3 CCCOCCCCCCC#N 9024856da22e90c6fcb02d47a521883e [1,1,0,0,0,0|1,0,1]=4 9411 B11R0.3 CCCOCCCCCCC=O 94f0c4ecacac557229497fd5ef55ea31 [1,1,0,0,0,0|0,0,0]=2 9412 B11R0.3 CCCOCCCCCCOC d862a222b60c44ec0327d3c88d0db06b [1,1,0,0,0,0|1,0,1]=4 9413 B11R0.3 CCCOCCCNC/C=C\O 34e752d65f81567e611efdb847533055 [1,1,0,0,0,0|1,0,1]=4 9414 B11R0.3 CCCOCCCNCCC=O 190496854629812b57ad087982f6cd3b [1,1,0,0,0,0|1,0,0]=3 9415 B11R0.3 CCCOCCCNCCCO 9d72e4e1d93e2950c3cbfe802f41f5a8 [1,1,0,0,0,0|1,0,1]=4 9416 B11R0.3 CCCOCCCOCCC=O 9ea405398ef924e3d18013f743b35505 [1,1,0,0,0,0|1,0,0]=3 9417 B11R0.3 CCCOCCNCCCC=O 367befcb66d3e5dd9daa0507bec3d17f [1,1,0,0,0,0|1,0,0]=3 9418 B11R0.3 CCCOCCNCCCCO 70b00fa7cf8b30f826b13f431dd86bf5 [1,1,0,0,0,0|1,0,1]=4 9419 B11R0.3 CCCOCCOCCCC=O ea74ad93f7f42fe064b37576b5f19dee [1,1,0,0,0,0|1,0,0]=3 9420 B11R0.3 CCCOCCOCCNC=O 1174d49e5aec3bb45426daa599fc0dd3 [1,1,0,0,0,0|2,0,0]=4 9421 B11R0.3 CCCOCCOCCOC=O 5b0cb9267e560c3c06133ce55aa85d65 [1,1,0,0,0,0|2,0,0]=4 9422 B11R0.3 CCCSCCCCNCC=O 70ab921c7b3edcf680852892631c7a93 [1,1,0,0,0,0|1,0,0]=3 9423 B11R0.3 CCCSCCCCNCCO 3b0b75358eae887295526550355e7be4 [1,1,0,0,0,0|1,0,1]=4 9424 B11R0.3 CCCSCCOCCCC=O 600c33f2feed5a99f1ab4bbaa43a3bd1 [1,1,0,0,0,0|1,0,0]=3 9425 B11R0.3 CCNCCCCCCCCO c4c346164b321e06a97af679d071f408 [1,1,0,0,0,0|0,0,1]=3 9426 B11R0.3 CCOCCCNCCCC=O 542b1613ecfee7b742cfddac50e7e775 [1,1,0,0,0,0|1,0,0]=3 9427 B11R0.3 CCOCCCNCCCCO 5344e4c8236b7eda1a4068b527b5b268 [1,1,0,0,0,0|1,0,1]=4 9428 B11R0.3 CCOCCCOCCCC=O 059d31c5447ede56a7b0d577b20a2e41 [1,1,0,0,0,0|1,0,0]=3 9429 B11R0.3 CCOCCCOCCNC=O 11f10a8b39c82c885f2d4f290d9fe770 [1,1,0,0,0,0|2,0,0]=4 9430 B11R0.3 CCOCCCOCCOC=O 41317e1fd6863e4785c8a2a1cb03ecbb [1,1,0,0,0,0|2,0,0]=4 9431 B11R0.3 CCOCCNCCCCC=O 0d9a7feea148a34ff8c8ffe115bb2069 [1,1,0,0,0,0|1,0,0]=3 9432 B11R0.3 CCOCCNCCCCCO 27b36f1102de2cdc4a6ba0f3ebe9da1f [1,1,0,0,0,0|1,0,1]=4 9433 B11R0.3 CCOCCNCCOCC=O 8ea0fb5a4d4c66943ca5f55572cf2df3 [1,1,0,0,0,0|2,0,0]=4 9434 B11R0.3 CCOCCOCCCCC=O 09c87bf7ea35bea11e509e5060aab89b [1,1,0,0,0,0|1,0,0]=3 9435 B11R0.3 CCOCCOCCNCC=O b689650d5ee40a3f071efec752039f95 [1,1,0,0,0,0|2,0,0]=4 9436 B11R0.3 CCOCCOCCOCC=O c3eef9b946cfa7dfe4a6abd3ce4b0383 [1,1,0,0,0,0|2,0,0]=4 9437 B11R0.3 CCOCNCCCCCCO 4835c13118ef3e10b732a77116c06de2 [1,1,0,0,0,0|1,0,1]=4 9438 B11R0.3 CCSCCCCNC/C=C\O a875034cc07879cc833f4f959ce838ee [1,1,0,0,0,0|1,0,1]=4 9439 B11R0.3 CCSCCCCNCCC=O 7739ed3d65acaad716fdb5227ab40267 [1,1,0,0,0,0|1,0,0]=3 9440 B11R0.3 CCSCCCCNCCCO 5108aa514b949963955e6eabedae88db [1,1,0,0,0,0|1,0,1]=4 9441 B11R0.3 CCSCCCNCCCCO 3f45715406f57e5f60f30a201316f03c [1,1,0,0,0,0|1,0,1]=4 9442 B11R0.3 CCSCCCOCCCC=O 15960c9ce1ecf536bedf9506fa0231c4 [1,1,0,0,0,0|1,0,0]=3 9443 B11R0.3 CCSCCCOCCNC=O eb55a31610f7c3e635c20a584e834d2d [1,1,0,0,0,0|2,0,0]=4 9444 B11R0.3 CCSCCCOCCOC=O 8f59755222310d52632bd9975dacd9e2 [1,1,0,0,0,0|2,0,0]=4 9445 B11R0.3 CCSCCNCCCCC=O bee637c8a29ef2414e5d63646cab5d02 [1,1,0,0,0,0|1,0,0]=3 9446 B11R0.3 CCSCCNCCCCCO c237c5e88849ade6744fbc610974bc9c [1,1,0,0,0,0|1,0,1]=4 9447 B11R0.3 CCSCCNCCOCC=O 5d36739778d80fad087bc6af532e5849 [1,1,0,0,0,0|2,0,0]=4 9448 B11R0.3 CCSCCOCCCCC=O ca432a5bc820f57de7098ee41d5a9f89 [1,1,0,0,0,0|1,0,0]=3 9449 B11R0.3 CCSCCOCCOCC=O e3c1fe80772c9f8b407b45d93ae9be61 [1,1,0,0,0,0|2,0,0]=4 9450 B11R0.3 COCCCCCCNCCO dc0846fae655ca426b0f0faf9c3bd2cb [1,1,0,0,0,0|1,0,1]=4 9451 B11R0.3 COCCCCCCOCC=O 6689b83a6bb00c92a664ac452ab13f7a [1,1,0,0,0,0|1,0,0]=3 9452 B11R0.3 COCCCCCNC/C=C\O 9093ca0b468fc86ae6f7741ef641e2bf [1,1,0,0,0,0|1,0,1]=4 9453 B11R0.3 COCCCCCNCCC=O 7b1ac4ef6bf90be8e7c92724c282245b [1,1,0,0,0,0|1,0,0]=3 9454 B11R0.3 COCCCCCNCCCO fbd1ff608f55b41ca56f5aac36b457c4 [1,1,0,0,0,0|1,0,1]=4 9455 B11R0.3 COCCCCCOCCC=O 55b7aa6cebf6bec34fde917474854c4d [1,1,0,0,0,0|1,0,0]=3 9456 B11R0.3 COCCCCNCCCC=O d859ac0edcc667b121095a8ec34e067d [1,1,0,0,0,0|1,0,0]=3 9457 B11R0.3 COCCCCNCCCCO 26d966c5b17e730d4323185dce89b754 [1,1,0,0,0,0|1,0,1]=4 9458 B11R0.3 COCCCCOCCCC=O 77330a6541aca855a46d47f98c624a43 [1,1,0,0,0,0|1,0,0]=3 9459 B11R0.3 COCCCCOCCNC=O bc101c70bfc7b7649a6ce28c8329799a [1,1,0,0,0,0|2,0,0]=4 9460 B11R0.3 COCCCCOCCOC=O ab44b21e06104dbec403038daf7d9785 [1,1,0,0,0,0|2,0,0]=4 9461 B11R0.3 COCCCNCCCCC=O 81cf7ebb0e52a45398aa8f5f9d073f71 [1,1,0,0,0,0|1,0,0]=3 9462 B11R0.3 COCCCNCCCCCO c903e9482376dcb34b33b629df4bc140 [1,1,0,0,0,0|1,0,1]=4 9463 B11R0.3 COCCCNCCOCC=O 7ec6648e04becf7df8ccb1761b178ddd [1,1,0,0,0,0|2,0,0]=4 9464 B11R0.3 COCCCOCCCCC=O 5baf2feaf7c5139b7ea421124506a9ad [1,1,0,0,0,0|1,0,0]=3 9465 B11R0.3 COCCCOCCOCC=O f8ea685be7b2cdead4a6bcfa9ece16a2 [1,1,0,0,0,0|2,0,0]=4 9466 B11R0.3 COCCNCCCCCC=O 4718591fcf4c8cd8ba40c217df9d2b78 [1,1,0,0,0,0|1,0,0]=3 9467 B11R0.3 COCCNCCCCCCO 67b29718a05c587fececfbf75e6878e5 [1,1,0,0,0,0|1,0,1]=4 9468 B11R0.3 COCCOCCCCCC=O 4bf690e24050b203739dd4162a417caf [1,1,0,0,0,0|1,0,0]=3 9469 B11R0.3 COCCOCCCCNC=O 9c41eb6437f5f0c0b1269cd047d4592c [1,1,0,0,0,0|2,0,0]=4 9470 B11R0.3 COCCOCCCNCC=O cabf05de87f939983cb6c180b9617574 [1,1,0,0,0,0|2,0,0]=4 9471 B11R0.3 COCCOCCCOCC=O 7c63d64cc2adda636f8cfbef59d36797 [1,1,0,0,0,0|2,0,0]=4 9472 B11R0.3 COCCOCCNCCC=O c22bae296a6404d845f8b4d60bceacbe [1,1,0,0,0,0|2,0,0]=4 9473 B11R0.3 COCCOCCOCCC=O b6d8f21a469d746b5ae031e233dc96d0 [1,1,0,0,0,0|2,0,0]=4 9474 B11R0.3 COCCOCOCCCC=O ff0d5671f120616e99bcfdbc744678f8 [1,1,0,0,0,0|2,0,0]=4 9475 B11R0.3 COCNCCCCCCCO e800d535ea51f07a03291d8a1e306e8b [1,1,0,0,0,0|1,0,1]=4 9476 B11R0.3 COCOCCCCCCC=O 1cc14ca5b0a66c0ba1b857ca65174c19 [1,1,0,0,0,0|1,0,0]=3 9477 B11R0.3 COCOCCOCCCC=O 1a9f2a220fd536b8f2dc73df21691b39 [1,1,0,0,0,0|2,0,0]=4 9478 B11R0.3 CSCCCCNCCCC=O 5666e8b7c1cbb2d1400d9d1c2ee654b7 [1,1,0,0,0,0|1,0,0]=3 9479 B11R0.3 CSCCCCNCCCCO 7d5faf407297d4593213b3157ce5c772 [1,1,0,0,0,0|1,0,1]=4 9480 B11R0.3 CSCCCCOCCCC=O 77199afd75665a4901237ae51325b33a [1,1,0,0,0,0|1,0,0]=3 9481 B11R0.3 CSCCCNCCCCC=O e8e5757c4d12c9770d382320b10a17e8 [1,1,0,0,0,0|1,0,0]=3 9482 B11R0.3 CSCCCNCCCCCO 8058bc5d242d8649b080d2dc4ab6b9c0 [1,1,0,0,0,0|1,0,1]=4 9483 B11R0.3 CSCCCNCCOCC=O 7a1c9fdb2539334adbb2d89e4a6f067e [1,1,0,0,0,0|2,0,0]=4 9484 B11R0.3 CSCCCOCCCCC=O ee77859902189d8481479d30cef355e3 [1,1,0,0,0,0|1,0,0]=3 9485 B11R0.3 CSCCCOCCOCC=O bec553db017d0edcab6e75d79298fb68 [1,1,0,0,0,0|2,0,0]=4 9486 B11R0.3 CSCCNCCCCCC=O b0f190127f090cf2798133da24b2523a [1,1,0,0,0,0|1,0,0]=3 9487 B11R0.3 CSCCNCCCCCCO 95f4b666b2e83bf0f2463dd55512f7de [1,1,0,0,0,0|1,0,1]=4 9488 B11R0.3 CSCCOCCCCCC=O f741ac44c314c228d430b7bd26f41fb4 [1,1,0,0,0,0|1,0,0]=3 9489 B11R0.3 CSCCOCCCNCC=O d3458b63f629862be145dd912a91384d [1,1,0,0,0,0|2,0,0]=4 9490 B11R0.3 CSCNCCCCCCCO 89cf90ea90f8f14f163e4e4086945c39 [1,1,0,0,0,0|1,0,1]=4 9491 B11R0.3 N#CCCCCCNCCC=O 01a7fa4cd3ed2af3b51471cff889cec6 [1,1,0,0,0,0|1,0,1]=4 9492 B11R0.3 N#CCCCCCOCCC=O ef2a0b336dc9be22063bcc4ea9084078 [1,1,0,0,0,0|1,0,1]=4 9493 B11R0.3 N#CCCCCNCCCC=O d1f37c5386eb834459a11e4540086ec4 [1,1,0,0,0,0|1,0,1]=4 9494 B11R0.3 N#CCCCCOCCCC=O d4f73cc2dbb6afd269cea0a934178480 [1,1,0,0,0,0|1,0,1]=4 9495 B11R0.3 N#CCCCNCCCCC=O 4bd6721dc9fd676f40faae69d54e2ef2 [1,1,0,0,0,0|1,0,1]=4 9496 B11R0.3 N#CCCCOCCCCC=O 9d3c16560011f992b81471ccb5620e49 [1,1,0,0,0,0|1,0,1]=4 9497 B11R0.3 N#CCCNCCCCCC=O 96098f5b6d910eaa01478159bf66a985 [1,1,0,0,0,0|1,0,1]=4 9498 B11R0.3 N#CCCOCCCCCC=O 4993dc2c69fc797a214a96dc1fc0cdad [1,1,0,0,0,0|1,0,1]=4 9499 B11R0.3 N#CCNCCCCCCC=O 151457bd6c0e2bcb3e13c405bbd3b2ca [1,1,0,0,0,0|1,0,1]=4 9500 B11R0.3 N#CCOCCCCCCC=O 7d8bd56db1379be8aade468b8f7ae9dc [1,1,0,0,0,0|1,0,1]=4 9501 B11R0.3 NOCCNCCCCCC=O 7770943fbbc8a0ffe5dfe7272bca2dbb [1,1,0,0,0,0|2,0,0]=4 9502 B11R0.3 O/C=C\CNCCCCCCCl 6479459ac892c8c5878f4be53e9fac9a [1,1,0,0,0,0|1,0,1]=4 9503 B11R0.3 O/C=C\CNCCCCCCO e22278558a26781b0a28cfb685e5339a [1,1,0,0,0,0|1,0,1]=4 9504 B11R0.3 O=CCCCCCCNCCBr c7968203f406802b342bdb3df5c99e6a [1,1,0,0,0,0|1,0,0]=3 9505 B11R0.3 O=CCCCCCCNCCF 1898954ac8b278d99174714d6bad1fd2 [1,1,0,0,0,0|1,0,0]=3 9506 B11R0.3 O=CCCCCCCNCCI 98f37d481faed8a3d02fd488da9fdc96 [1,1,0,0,0,0|1,0,0]=3 9507 B11R0.3 O=CCCCCCCNCCO 4563f4506bdfa0337439838ef55d1213 [1,1,0,0,0,0|1,0,0]=3 9508 B11R0.3 O=CCCCCCCNCCS 555114ffa65ad68fb327b013b4b0042b [1,1,0,0,0,0|1,0,0]=3 9509 B11R0.3 O=CCCCCCCOCCF 18e788875d79f59913355d20c32a574e [1,1,0,0,0,0|1,0,0]=3 9510 B11R0.3 O=CCCCCCCOCCS 5981a0fea636e45940519daa52113065 [1,1,0,0,0,0|1,0,0]=3 9511 B11R0.3 O=CCCCCCNCCCCl fd71525cd608d0265dba4f5d691165ab [1,1,0,0,0,0|1,0,0]=3 9512 B11R0.3 O=CCCCCCNCCCO e8f48db490ac35989365ee24a0ce8127 [1,1,0,0,0,0|1,0,0]=3 9513 B11R0.3 O=CCCCCCOCCC=O 841355cf505d11860e808a628e661a33 [1,1,0,0,0,0|1,0,1]=4 9514 B11R0.3 O=CCCCCCOCCCF 8aee16e47cf50fb440fa950b21ce39df [1,1,0,0,0,0|1,0,0]=3 9515 B11R0.3 O=CCCCCCOCCCS 8275620ce624adb0eead055700dcd6ac [1,1,0,0,0,0|1,0,0]=3 9516 B11R0.3 O=CCCCCNCCCCCl dcc4fe22f95b5e37f1f189301e54c790 [1,1,0,0,0,0|1,0,0]=3 9517 B11R0.3 O=CCCCCNCCCCO d03a813a710533d213d33230de522737 [1,1,0,0,0,0|1,0,0]=3 9518 B11R0.3 O=CCCCCNCCCCS 9ff220cd913c7d37aca52c99cfd1f14e [1,1,0,0,0,0|1,0,0]=3 9519 B11R0.3 O=CCCCCOCCCC=O 0f4ede3200b05f9a0b13b774542c443a [1,1,0,0,0,0|1,0,1]=4 9520 B11R0.3 O=CCCCCOCCCCF a40404b0829e05e1cad9f123f1d50528 [1,1,0,0,0,0|1,0,0]=3 9521 B11R0.3 O=CCCCCOCCCCS cb6b0058832acd9dd4546438e09c6cfc [1,1,0,0,0,0|1,0,0]=3 9522 B11R0.3 O=CCCCNCCCCCCl 86565134165a65c6f6f37a9962245a94 [1,1,0,0,0,0|1,0,0]=3 9523 B11R0.3 O=CCCCNCCCCCO 0241d2422a23be3107c4c8915a44c5bf [1,1,0,0,0,0|1,0,0]=3 9524 B11R0.3 O=CCCCNCCOCCO 07a4dbf6847feff80062fdc92ded0438 [1,1,0,0,0,0|2,0,0]=4 9525 B11R0.3 O=CCCCNCCOCCS d852314be6e79f8902368ddedfaf4f26 [1,1,0,0,0,0|2,0,0]=4 9526 B11R0.3 O=CCCCNCCSCCO d5bbccab13309a598365bff27ba31c91 [1,1,0,0,0,0|2,0,0]=4 9527 B11R0.3 O=CCCCOCCCCCF 312e14ae215ba24184b9e1cfac4bdf49 [1,1,0,0,0,0|1,0,0]=3 9528 B11R0.3 O=CCCCOCCOCCF 3b353dcd7f132b9a66d5dfc080ad1f1a [1,1,0,0,0,0|2,0,0]=4 9529 B11R0.3 O=CCCCOCCOCCS 9cabd1b80df580ec90cdee625da748a0 [1,1,0,0,0,0|2,0,0]=4 9530 B11R0.3 O=CCCNCCCCCCCl faf688527cbdc36cac79fe6ccda89c31 [1,1,0,0,0,0|1,0,0]=3 9531 B11R0.3 O=CCCNCCCCCCO 114ae78e85061f9b979d8a595a972955 [1,1,0,0,0,0|1,0,0]=3 9532 B11R0.3 O=CCCNCCCOCCO 18bc2f2083e0e9381c8e5c113311b991 [1,1,0,0,0,0|2,0,0]=4 9533 B11R0.3 O=CCCNCCOCCCO 339d4e42a8e73a0d1be599ce15eb54d0 [1,1,0,0,0,0|2,0,0]=4 9534 B11R0.3 O=CCCOCCCCCCF 12608a84ec7419baec96fc9b9fe54aba [1,1,0,0,0,0|1,0,0]=3 9535 B11R0.3 O=CCCOCCCCCCS 65bf01bd887cf10c15d3e74f1e91b329 [1,1,0,0,0,0|1,0,0]=3 9536 B11R0.3 O=CCNCCCCCCCO 584c0678248808764029f11ce9b0f73a [1,1,0,0,0,0|1,0,0]=3 9537 B11R0.3 O=CCNCCCCSCCO bfa2c600ba4fa612387ac56676e7c2b6 [1,1,0,0,0,0|2,0,0]=4 9538 B11R0.3 O=CCNCCCOCCCO 0c2c684a66e7c199def3d25947f15838 [1,1,0,0,0,0|2,0,0]=4 9539 B11R0.3 O=CCOCCNCCCCCl 8157989b3644fcc3e577ee7a41a62ea4 [1,1,0,0,0,0|2,0,0]=4 9540 B11R0.3 O=CCOCCNCCCCO f00cc79172642aad3ede53fcfb8d9a4b [1,1,0,0,0,0|2,0,0]=4 9541 B11R0.3 O=CCOCCNCCCCS 10e6c35e2d6f2888b7daa72ad449f01b [1,1,0,0,0,0|2,0,0]=4 9542 B11R0.3 O=CCOCCOCCCCF 5c477a47ebf5e2bb112d8b2c3072995e [1,1,0,0,0,0|2,0,0]=4 9543 B11R0.3 O=CCOCCOCCCCS 6d01099fd9751ddb8180f01d167d3f69 [1,1,0,0,0,0|2,0,0]=4 9544 B11R0.3 O=CNCCCCCCCCO ade378c7a1493dc87ce2ee94a0465e75 [1,1,0,0,0,0|1,0,0]=3 9545 B11R0.3 O=CNCCOCCCCCF db52a5c7d8b97880b7b2517ac78d94c1 [1,1,0,0,0,0|2,0,0]=4 9546 B11R0.3 O=COCCOCCCCCF ad1b3348541b9a607fd511965e9183dd [1,1,0,0,0,0|2,0,0]=4 9547 B11R0.3 OCCCCCCCCNCF 0d872b98b2a95c92875278182a108b5b [1,1,0,0,0,0|1,0,1]=4 9548 B11R0.3 OCCCCCCCCNCO 06ea9db5cc8e1a7686a5ffeb8c34217c [1,1,0,0,0,0|1,0,1]=4 9549 B11R0.3 OCCCCCCCNCCBr 5611383d2817db033c2a42ecf3109ca3 [1,1,0,0,0,0|1,0,1]=4 9550 B11R0.3 OCCCCCCCNCCF 588f628bb4b6ff12f54feab307c9e507 [1,1,0,0,0,0|1,0,1]=4 9551 B11R0.3 OCCCCCCCNCCI 93735c976611dbc665ceec62cf2a2558 [1,1,0,0,0,0|1,0,1]=4 9552 B11R0.3 OCCCCCCCNCCO 302bd45cae4e6eb65d2fde13385cf644 [1,1,0,0,0,0|1,0,1]=4 9553 B11R0.3 OCCCCCCCNCCS e8c395c63130862d2a8b782bb312c8a7 [1,1,0,0,0,0|1,0,1]=4 9554 B11R0.3 OCCCCCCNCCCCl 23d295f39ea25d0bdc260c4e1006bd41 [1,1,0,0,0,0|1,0,1]=4 9555 B11R0.3 OCCCCCCNCCCF da44f47d03b2652ab4412e2f352645ad [1,1,0,0,0,0|1,0,1]=4 9556 B11R0.3 OCCCCCCNCCCO e12ee56ee8434bc57b960b5baf0d446a [1,1,0,0,0,0|1,0,1]=4 9557 B11R0.3 OCCCCCCNCCCS 4bf30050fb3735094c8d990b216227bd [1,1,0,0,0,0|1,0,1]=4 9558 B11R0.3 OCCCCCNCCCCCl 8127214bbb3398b72b02fc719e3caff7 [1,1,0,0,0,0|1,0,1]=4 9559 B11R0.3 OCCCCCNCCCCF 5b53447ba67bb20b7fe6faa9cbcbc1b3 [1,1,0,0,0,0|1,0,1]=4 9560 B11R0.3 OCCCCCNCCCCO 2cec7b546a19f647fa8f919c7f56a16f [1,1,0,0,0,0|1,0,1]=4 9561 B11R0.3 OCCCCCNCCCCS 2131849f28716e0ebdf5c0664c87c6d4 [1,1,0,0,0,0|1,0,1]=4 9562 B11R0.3 OCCCCNCCCCCCl 0f0f19f6f26da1ba278dd2a9e2523412 [1,1,0,0,0,0|1,0,1]=4 9563 B11R0.3 OCCCCNCCCCCF 34c6a656754cccefee3315dd9f216833 [1,1,0,0,0,0|1,0,1]=4 9564 B11R0.3 OCCCNCCCCCCCl 9a9e2739daba9096f745b79fbe0e7ffc [1,1,0,0,0,0|1,0,1]=4 9565 B11R0.3 OCCCNCCCCCCF 7a0ff36abe9facd5d6f6591b47f70472 [1,1,0,0,0,0|1,0,1]=4 9566 B11R0.4 C=CCC(C)CNCCCCC 78499161f310754947506c7bc839e721 [1,1,0,0,0,0|2,0,0]=4 9567 B11R0.4 C=CCC(C)COCCCCC 0b9c3844b09d8901a21fb77384e2113b [1,1,0,0,0,0|2,0,0]=4 9568 B11R0.4 C=CCC(C)OCCCCCC 15350466c6b966aac72a8255a29460d3 [1,1,0,0,0,0|2,0,0]=4 9569 B11R0.4 C=CCC(O)CNCCCCC cbf36c316559135fbb7a1ab010acf5eb [1,1,0,0,0,0|2,0,0]=4 9570 B11R0.4 C=CCCCCCN(C)CCC 20eabea43dc84935e22043b4849447ac [1,1,0,0,0,0|2,0,0]=4 9571 B11R0.4 C=CCCCCNC(C)CCC 9cd39e27a79c80531c0cf266d819487e [1,1,0,0,0,0|2,0,0]=4 9572 B11R0.4 C=CCCCCN[C@@H](C)CCC 2f5d5818cabda48fca5e2d1c631c97b8 [1,1,0,0,0,0|2,0,0]=4 9573 B11R0.4 C=CCCCCOC(C)CCC 904e41310c8cbc0a681a15ec74fa5970 [1,1,0,0,0,0|2,0,0]=4 9574 B11R0.4 C=CCCCCO[C@@H](C)CCC b5154b440897ea912ac351b6a59d7e56 [1,1,0,0,0,0|2,0,0]=4 9575 B11R0.4 C=CCCCCO[C@H](C)CCC 51cb3dae593cfbcf97789a914d8f0b9d [1,1,0,0,0,0|2,0,0]=4 9576 B11R0.4 C=CCCCNCC(C)CCC 5da2a82cea8edc05694a0788f572c528 [1,1,0,0,0,0|2,0,0]=4 9577 B11R0.4 C=CCCCNCC(O)CCC b3f55a3c3a9e20888ca50ac8e011e5f3 [1,1,0,0,0,0|2,0,0]=4 9578 B11R0.4 C=CCCCOCC(C)CCC 41cede22e690db94385f3e2d63c791a0 [1,1,0,0,0,0|2,0,0]=4 9579 B11R0.4 C=CCCOCCC(C)CCC cfc3768d07970d596cae4fe4187d6ef3 [1,1,0,0,0,0|2,0,0]=4 9580 B11R0.4 C=CCCOCCC(S)CCC af67d0ac0992028a3b50b10c4609a7c8 [1,1,0,0,0,0|2,0,0]=4 9581 B11R0.4 C=CCN(C)CCCCCCC 8e4396938e64738917450a4c6d2226ae [1,1,0,0,0,0|2,0,0]=4 9582 B11R0.4 C=CCOCCCC(C)CCC 88c780fbe92ce9a047dbe1ffa7ab9627 [1,1,0,0,0,0|2,0,0]=4 9583 B11R0.4 C=CC[C@@H](C)OCCCCCC d9f843f0024c7043ce7697b98a22de56 [1,1,0,0,0,0|2,0,0]=4 9584 B11R0.4 C=CC[C@H](C)OCCCCCC f314d1e651fdeed27bc0886b7271d505 [1,1,0,0,0,0|2,0,0]=4 9585 B11R0.4 CC(CCO)CNCCCC=O b34ecf32b79fa3e059cd5eebdf66caf1 [1,1,0,0,0,0|2,0,0]=4 9586 B11R0.4 CC(CCO)NCCCCC=O 41d63204f6b68bcd35a3aedfc65be579 [1,1,0,0,0,0|2,0,0]=4 9587 B11R0.4 CCCC(=O)COCCCC=O 1060d82f95085d8111c535d571bbd15b [1,1,0,0,0,0|1,0,1]=4 9588 B11R0.4 CCCC(=S)OCCCCC=O 1be0f31eef201e6b56f13433074fe076 [1,1,0,0,0,0|1,0,1]=4 9589 B11R0.4 CCCC(C)CCCOCC=O 7c710b5bde507f3abc91aaddc211b09e [1,1,0,0,0,0|1,0,0]=3 9590 B11R0.4 CCCC(C)CCOCCC=O d56669db9201dbb237f5b6078b5caecc [1,1,0,0,0,0|1,0,0]=3 9591 B11R0.4 CCCC(C)CNCCCCO 16ed810509952b5802a91fffe7eb7616 [1,1,0,0,0,0|1,0,1]=4 9592 B11R0.4 CCCC(C)COCCCC=O 6827d41ebde69c68bc1567f5a2577f73 [1,1,0,0,0,0|1,0,0]=3 9593 B11R0.4 CCCC(C)COCCNC=O e7057c5695ce4b7392d9c72d54a91568 [1,1,0,0,0,0|2,0,0]=4 9594 B11R0.4 CCCC(C)COCCOC=O e2fc4df1464274d21ecd480519cad834 [1,1,0,0,0,0|2,0,0]=4 9595 B11R0.4 CCCC(C)NCCCCC=O bf03233d6dfc80a7f919f7e66782c3dc [1,1,0,0,0,0|1,0,0]=3 9596 B11R0.4 CCCC(C)NCCCCCO 42022f2d2382cced620bf4dacd7724d2 [1,1,0,0,0,0|1,0,1]=4 9597 B11R0.4 CCCC(C)NCCOCC=O 94f992425063d7e7d31cf70a0dfbeda7 [1,1,0,0,0,0|2,0,0]=4 9598 B11R0.4 CCCC(C)OCCCCC=O c0220f3208498b671494edc7dc378c36 [1,1,0,0,0,0|1,0,0]=3 9599 B11R0.4 CCCC(C)OCCOCC=O 3c1c2f3573a6c712344c97a7b73dbca9 [1,1,0,0,0,0|2,0,0]=4 9600 B11R0.4 CCCC(O)CNCCCC=O 79ea2d6d3698353fd272dc1decbb7e08 [1,1,0,0,0,0|1,0,0]=3 9601 B11R0.4 CCCC(O)CNCCCCO 40865fc06a718807fd947253975681ea [1,1,0,0,0,0|1,0,1]=4 9602 B11R0.4 CCCC(S)CCOCCC=O c42e8bf19d80febbe8e2da323f536cbc [1,1,0,0,0,0|1,0,0]=3 9603 B11R0.4 CCCCCCCN(C)CC=O 2ce968d3977ae174a926bfa45881d258 [1,1,0,0,0,0|1,0,0]=3 9604 B11R0.4 CCCCCCCN(C)CCO 4b82b57c2e27ee478b4db099376fba2f [1,1,0,0,0,0|1,0,1]=4 9605 B11R0.4 CCCCCCC[C@H](C)NC=O c442fbbe6ed7aa25c681c876729d7560 [1,1,0,0,0,0|1,0,0]=3 9606 B11R0.4 CCCCCCC[C@H](C)NCO b897aee6051defb04f5f6cf3c8a31ab5 [1,1,0,0,0,0|1,0,1]=4 9607 B11R0.4 CCCCCCNC(=O)CC=O a7f1da0dd2cd94dffb8186943176c7dc [1,1,0,0,0,0|1,0,1]=4 9608 B11R0.4 CCCCCCNC(C)CCO 3c37ba78238e6b6e509c763f65a89e15 [1,1,0,0,0,0|1,0,1]=4 9609 B11R0.4 CCCCCCN[C@@H](C)CCO ef20604c1d13846f7a5ae7f726081f93 [1,1,0,0,0,0|1,0,1]=4 9610 B11R0.4 CCCCCCN[C@H](C)CCO d0862c4bfa9c321df31f29a6ac758d6b [1,1,0,0,0,0|1,0,1]=4 9611 B11R0.4 CCCCCNCC(C)CCO e616c0d83429131bb679051a47b6be08 [1,1,0,0,0,0|1,0,1]=4 9612 B11R0.4 CCCCCNC[C@@H](O)CCO bdfd88a3d4ff55c01c5cfc1f5bba32b4 [1,1,0,0,0,0|1,0,1]=4 9613 B11R0.4 CCCCCOC[C@@H](O)CCO 3968df4237b71e64b4f9295c1d148fbc [1,1,0,0,0,0|1,0,1]=4 9614 B11R0.4 CCCN(C)CCCCCC=O 7bd501838662cae1b36f8bf78fb58c32 [1,1,0,0,0,0|1,0,0]=3 9615 B11R0.4 CCCN(C)CCCCCCO 7b2e6e9a2805e1f19dc02fa5859816c2 [1,1,0,0,0,0|1,0,1]=4 9616 B11R0.4 CCC[C@@H](C)OCCCCC=O 033210babc7ebfe5abe9bcc3934a56ae [1,1,0,0,0,0|1,0,0]=3 9617 B11R0.4 CCC[C@@H](C)OCCOCC=O 3d8eb20e2dc0d93c960fac61105a319d [1,1,0,0,0,0|2,0,0]=4 9618 B11R0.4 CCC[C@H](C)NCCCCC=O 69b1e774c6ee4fddf56909a2246fdb31 [1,1,0,0,0,0|1,0,0]=3 9619 B11R0.4 CCC[C@H](C)NCCCCCO 9145428cec86525735d1e0f47d1ced44 [1,1,0,0,0,0|1,0,1]=4 9620 B11R0.4 CCC[C@H](C)NCCOCC=O 72f90c3e56e4f74e6d3f530d8496e23d [1,1,0,0,0,0|2,0,0]=4 9621 B11R0.4 CCC[C@H](C)OCCCCC=O 7227fc07ecb170decb561add9373e421 [1,1,0,0,0,0|1,0,0]=3 9622 B11R0.4 CCC[C@H](C)OCCOCC=O 002246d7a3bcb4cf229a9a66b869e6bb [1,1,0,0,0,0|2,0,0]=4 9623 B11R0.4 CCOC(C)CNCCCC=O 3031db53abfeffb811fda5c413d624e2 [1,1,0,0,0,0|2,0,0]=4 9624 B11R0.4 CCOC(C)COCCCC=O 3c9f07a4578debc3eeca1fc9ad1acec9 [1,1,0,0,0,0|2,0,0]=4 9625 B11R0.4 CN(CC=O)CCCCCCO f73cdbb8eb099c32d5e63c3fb40b69f7 [1,1,0,0,0,0|2,0,0]=4 9626 B11R0.4 CN(CCF)CCCCCC=O 5d9f7516612394a9780bc928fa846314 [1,1,0,0,0,0|2,0,0]=4 9627 B11R0.4 CN(CCO)CCCCCC=O 332fe48d278f17763ad9c243187e6837 [1,1,0,0,0,0|2,0,0]=4 9628 B11R0.4 COCC(C)COCCCC=O caea4d5bcf63f97a69d44b6c4005f6fc [1,1,0,0,0,0|2,0,0]=4 9629 B11R0.4 COCC(C)NCCCCC=O 061c0a586940205576f63049cc3e8fb5 [1,1,0,0,0,0|2,0,0]=4 9630 B11R0.4 COCC(C)OCCCCC=O 9d168781ec65e803d7e4dec5a4455c50 [1,1,0,0,0,0|2,0,0]=4 9631 B11R0.4 COCC(O)CNCCCC=O 23593c615d000f89e317e00adb00fdea [1,1,0,0,0,0|2,0,0]=4 9632 B11R0.4 COC[C@@H](C)NCCCCC=O c771f96f47ef66955cb789de1ca22922 [1,1,0,0,0,0|2,0,0]=4 9633 B11R0.4 COC[C@@H](C)OCCCCC=O 779ef6c012e995620ca51570e7bc6cf3 [1,1,0,0,0,0|2,0,0]=4 9634 B11R0.4 COC[C@@H](O)CNCCCC=O c94e58f235dda8f5b792f6e18f61ff6f [1,1,0,0,0,0|2,0,0]=4 9635 B11R0.4 COC[C@H](C)COCCCC=O 299ac6dcefd02a67bc4623c46c39d1af [1,1,0,0,0,0|2,0,0]=4 9636 B11R0.4 COC[C@H](C)NCCCCC=O e7760a1bc115d9087fdcdafcacac7d49 [1,1,0,0,0,0|2,0,0]=4 9637 B11R0.4 COC[C@H](C)OCCCCC=O af08f2942081ca3cb39dde2ecebd31ab [1,1,0,0,0,0|2,0,0]=4 9638 B11R0.4 CSCC(C)OCCCCC=O 16e086427f9ee1b6e3d67b7e1a38b3e1 [1,1,0,0,0,0|2,0,0]=4 9639 B11R0.4 C[C@@H](CCO)NCCCCC=O 2675361fd7e3d25f2ef8d6a0e991b058 [1,1,0,0,0,0|2,0,0]=4 9640 B11R0.4 C[C@H](CCO)NCCCCC=O a0d39c572b54739f6232819cae4478b8 [1,1,0,0,0,0|2,0,0]=4 9641 B11R0.4 O=CCCCOC[C@@H](O)CCO 4792204ef9c9247895ae2d480e4398ed [1,1,0,0,0,0|2,0,0]=4 9642 B11R0.81 C=CCCC(C)NCCCCC c72678af6e35c54e15af857a3a047306 [1,1,0,0,0,0|2,0,0]=4 9643 B11R0.81 C=CCCC(C)OCCCCC 5c3621609950ec1f6b4d1c06599c428c [1,1,0,0,0,0|2,0,0]=4 9644 B11R0.81 C=CCCC(O)CNCCCC 3229c6c178b90ba1794749c53fb99938 [1,1,0,0,0,0|2,0,0]=4 9645 B11R0.81 C=CCCCCC(C)OCCC af50d0d93040d589e0b82f51022e7cd2 [1,1,0,0,0,0|2,0,0]=4 9646 B11R0.81 C=CCCCCN(C)CCCC f062ec32b7543cc568af94931fc8ae47 [1,1,0,0,0,0|2,0,0]=4 9647 B11R0.81 C=CCCCC[C@@H](C)OCCC 5ad14abe1632940a453b7cc60373a5b1 [1,1,0,0,0,0|2,0,0]=4 9648 B11R0.81 C=CCCCNC(C)CCCC c22a31e4adca8926b7536b5a07974378 [1,1,0,0,0,0|2,0,0]=4 9649 B11R0.81 C=CCCCN[C@H](C)CCCC 486179c4df260428ea348aba5ef8d5ad [1,1,0,0,0,0|2,0,0]=4 9650 B11R0.81 C=CCCCOC(C)CCCC b4dd5abd0a662b87d375e07d99f53db6 [1,1,0,0,0,0|2,0,0]=4 9651 B11R0.81 C=CCCCO[C@@H](C)CCCC 99cd9a540efba51417a9f39f10ba1be7 [1,1,0,0,0,0|2,0,0]=4 9652 B11R0.81 C=CCCCO[C@H](C)CCCC 1ac943b17ea911a1c2d9e1d905a887ba [1,1,0,0,0,0|2,0,0]=4 9653 B11R0.81 C=CCCN(C)CCCCCC ac5230d51369ece9d48c5039c9dbd5b7 [1,1,0,0,0,0|2,0,0]=4 9654 B11R0.81 C=CCCNCC(O)CCCC 5ddf874d6ae8cd83b32222fe21413351 [1,1,0,0,0,0|2,0,0]=4 9655 B11R0.81 C=CCCOCC(C)CCCC e7c5635c555fe1192f441d125d560587 [1,1,0,0,0,0|2,0,0]=4 9656 B11R0.81 C=CCC[C@@H](C)OCCCCC 1ba9be83b2eefe0ba6693ec19df98046 [1,1,0,0,0,0|2,0,0]=4 9657 B11R0.81 C=CCC[C@@H](O)CNCCCC 76f830701e4c4a46f32fb2cd244b024d [1,1,0,0,0,0|2,0,0]=4 9658 B11R0.81 C=CCNC(C)CCCCCC 080152b8a7bbae7c62709bd8caa040e9 [1,1,0,0,0,0|2,0,0]=4 9659 B11R0.81 C=CCN[C@@H](C)CCCCCC ab1fa834f97cc50c189925590f258d25 [1,1,0,0,0,0|2,0,0]=4 9660 B11R0.81 C=CCN[C@H](C)CCCCCC fd5181e34abf171f4d37daf85894f215 [1,1,0,0,0,0|2,0,0]=4 9661 B11R0.81 C=CCOC(C)CCCCCC 2667d6c3553a09bbd16c579638cc55f5 [1,1,0,0,0,0|2,0,0]=4 9662 B11R0.81 C=CCOCCC(C)CCCC 8fc043cea768d7d9b2056ed9627b4f41 [1,1,0,0,0,0|2,0,0]=4 9663 B11R0.81 C=CCO[C@@H](C)CCCCCC 7926c1bf54189cac3178401c304c8f9a [1,1,0,0,0,0|2,0,0]=4 9664 B11R0.81 C=CCO[C@H](C)CCCCCC bea674f4d330009c3c970d90489286f2 [1,1,0,0,0,0|2,0,0]=4 9665 B11R0.81 CC(CCCO)NCCCC=O b3aaf73946f40dd9ae2a94d1a67cacb1 [1,1,0,0,0,0|2,0,0]=4 9666 B11R0.81 CCCCC(C)CCOCC=O 8a99c6abc32f697780727a1644a14093 [1,1,0,0,0,0|1,0,0]=3 9667 B11R0.81 CCCCC(C)COCCC=O dc70c736cb0186bab6c524f23de0846d [1,1,0,0,0,0|1,0,0]=3 9668 B11R0.81 CCCCC(C)NCCCC=O 046f0e5c1fc98a0141f20b9945da1c0c [1,1,0,0,0,0|1,0,0]=3 9669 B11R0.81 CCCCC(C)NCCCCO 9f29a105dee7b4bf1e952c699c8fa561 [1,1,0,0,0,0|1,0,1]=4 9670 B11R0.81 CCCCC(C)OCCCC=O 2031a8a2a734c982cd1e64bf2558c673 [1,1,0,0,0,0|1,0,0]=3 9671 B11R0.81 CCCCC(C)OCCNC=O 8249771639fc6c474bd9612ac7ffd483 [1,1,0,0,0,0|2,0,0]=4 9672 B11R0.81 CCCCC(C)OCCOC=O d7da77aa8d566102c488c4bf6b58239e [1,1,0,0,0,0|2,0,0]=4 9673 B11R0.81 CCCCC(O)CNC/C=C\O f4694b2f29922bbd646016f506b06446 [1,1,0,0,0,0|1,0,1]=4 9674 B11R0.81 CCCCC(O)CNCCC=O cc8e9a9dde78ace9449abd4576ff3bd2 [1,1,0,0,0,0|1,0,0]=3 9675 B11R0.81 CCCCC(O)CNCCCO 83fd5fe175405563fa5052ff53e1ba21 [1,1,0,0,0,0|1,0,1]=4 9676 B11R0.81 CCCCCCC(C)NCC=O c7433337aef04e4748633574e4b09493 [1,1,0,0,0,0|1,0,0]=3 9677 B11R0.81 CCCCCCC(C)NCCO f38668e54c52cfb1a95ef21269912c88 [1,1,0,0,0,0|1,0,1]=4 9678 B11R0.81 CCCCCCC(C)OCC=O ade50a42a05ac573010d986a97b1212a [1,1,0,0,0,0|1,0,0]=3 9679 B11R0.81 CCCCCCN(C)C/C=C\O 26fd2197a40f946258538fc03ea543c2 [1,1,0,0,0,0|1,0,1]=4 9680 B11R0.81 CCCCCCN(C)CCC=O f727319179002329e7fedbeebd43bd2a [1,1,0,0,0,0|1,0,0]=3 9681 B11R0.81 CCCCCCN(C)CCCO 2aef5358383be552dd30ac8ca9e5f873 [1,1,0,0,0,0|1,0,1]=4 9682 B11R0.81 CCCCCC[C@@H](C)NCC=O 6e36eecaf11dfc5b75e073af1f838460 [1,1,0,0,0,0|1,0,0]=3 9683 B11R0.81 CCCCCC[C@@H](C)NCCO 58aca5a2be6637938056556584adf0c5 [1,1,0,0,0,0|1,0,1]=4 9684 B11R0.81 CCCCCC[C@@H](C)OCC=O 4d298c9b95f21a7e0d2021131da47179 [1,1,0,0,0,0|1,0,0]=3 9685 B11R0.81 CCCCCC[C@H](C)NCC=O 6e51132a2356a5e38a242e1d45ecd574 [1,1,0,0,0,0|1,0,0]=3 9686 B11R0.81 CCCCCC[C@H](C)NCCO 8fbbf3b644301d85f6bafefddb099f7d [1,1,0,0,0,0|1,0,1]=4 9687 B11R0.81 CCCCCC[C@H](C)OCC=O e919d7296b8c04a4998ac9a92454377b [1,1,0,0,0,0|1,0,0]=3 9688 B11R0.81 CCCCCNC(=O)CCC=O 4e06a1300e5289e3f929fbc06dd15cac [1,1,0,0,0,0|1,0,1]=4 9689 B11R0.81 CCCCCNC(C)CCCO 406073321f0839fe6087b998442feca1 [1,1,0,0,0,0|1,0,1]=4 9690 B11R0.81 CCCCCN[C@H](C)CCCO 7315223bb4b33e83083e6a29b9477bde [1,1,0,0,0,0|1,0,1]=4 9691 B11R0.81 CCCCN(C)CCCCC=O c6e698eb75e859b534a514a0c3560711 [1,1,0,0,0,0|1,0,0]=3 9692 B11R0.81 CCCCN(C)CCCCCO c5675d46ea3544a800eca8dfc876b4c2 [1,1,0,0,0,0|1,0,1]=4 9693 B11R0.81 CCCCN(C)CCCNC=O 390325930063fe17f67a20eb9bcfabf7 [1,1,0,0,0,0|2,0,0]=4 9694 B11R0.81 CCCCN(C)CCNCC=O 6cf892d98e5edbe885db50f1f289fa23 [1,1,0,0,0,0|2,0,0]=4 9695 B11R0.81 CCCCN(C)CCOCC=O e7c2b9bc09dbe719264fac9d503f1842 [1,1,0,0,0,0|2,0,0]=4 9696 B11R0.81 CCCCNC[C@H](C)CCCO 0fc13b38840d250bb93148c460e32459 [1,1,0,0,0,0|1,0,1]=4 9697 B11R0.81 CCCCOCC(C)OCC=O 4ec97aebde4285e27b8683843835bd1d [1,1,0,0,0,0|2,0,0]=4 9698 B11R0.81 CCCC[C@@H](C)NCCCC=O f87016ea6e27a603bf1b4c519c92dfb3 [1,1,0,0,0,0|1,0,0]=3 9699 B11R0.81 CCCC[C@@H](C)NCCCCO 09767edc918506fb3bfb78bd2e9f817b [1,1,0,0,0,0|1,0,1]=4 9700 B11R0.81 CCCC[C@@H](C)OCCCC=O 33560d2aa36996116c95fbb597e61f2a [1,1,0,0,0,0|1,0,0]=3 9701 B11R0.81 CCCC[C@H](C)OCCCC=O 0783f36bcd2da041c1e1393a2154098e [1,1,0,0,0,0|1,0,0]=3 9702 B11R0.81 CCCNC(=O)CCCCC=O f37aa498d6e7d7d0501b70b7c4a5f55f [1,1,0,0,0,0|1,0,1]=4 9703 B11R0.81 CCOCC(C)COCCC=O 0c44079043efe28d0200acb476062bd2 [1,1,0,0,0,0|2,0,0]=4 9704 B11R0.81 CCOCC(C)OCCCC=O 853c41f9078a64dcec5ad62ee9841199 [1,1,0,0,0,0|2,0,0]=4 9705 B11R0.81 CCOCC(O)CNCCC=O a4d82a0f9aef8088f5c5bb6e7418c06f [1,1,0,0,0,0|2,0,0]=4 9706 B11R0.81 CN(CCC=O)CCCCCO 2ddd7965698461a4b5a8ffaedc5975de [1,1,0,0,0,0|2,0,0]=4 9707 B11R0.81 CN(CCCO)CCCCC=O 0950523783bf0ca218b06455e195efd5 [1,1,0,0,0,0|2,0,0]=4 9708 B11R0.81 COCCC(C)OCCCC=O 36253b86b20ec6fc55e207c9db9149ea [1,1,0,0,0,0|2,0,0]=4 9709 B11R0.81 COCCCCN(C)CCC=O 01199adcdcfe2594ed4cc579099990f0 [1,1,0,0,0,0|2,0,0]=4 9710 B11R0.81 COCCN(C)CCCCC=O 6a3464f3471818730710de80d5423c12 [1,1,0,0,0,0|2,0,0]=4 9711 B11R0.81 CSCCC(C)OCCCC=O db14670b0c1d8f17159399dbb2bb51b7 [1,1,0,0,0,0|2,0,0]=4 9712 B11R0.81 CSCCN(C)CCCCC=O 8b9884ae7d170236076acf52a0e9b88d [1,1,0,0,0,0|2,0,0]=4 9713 B11R0.81 C[C@H](CCCO)CNCCC=O 9e21d393f2c9c79028c20c543a03ef52 [1,1,0,0,0,0|2,0,0]=4 9714 B11R0.81 C[C@H](CCCO)NCCCC=O 41c05c418fb6c33af0582e7c8f849fa2 [1,1,0,0,0,0|2,0,0]=4 9715 B11R0.140 C=CCCCN(C)CCCCC d35127b9537d4ddf1e1aa66b0baee223 [1,1,0,0,0,0|2,0,0]=4 9716 B11R0.140 C=CCCC[C@H](C)OCCCC 78786ef571fc5f67488d05b759625267 [1,1,0,0,0,0|2,0,0]=4 9717 B11R0.140 C=CCCNC(C)CCCCC 195642a11102652a366876131e360dae [1,1,0,0,0,0|2,0,0]=4 9718 B11R0.140 C=CCCN[C@@H](C)CCCCC 8011f0fbdba68e5a7ed0fe1a1de64f47 [1,1,0,0,0,0|2,0,0]=4 9719 B11R0.140 C=CCCOC(C)CCCCC 0674bd7ad4b82713d3054fec519b7071 [1,1,0,0,0,0|2,0,0]=4 9720 B11R0.140 C=CCCO[C@@H](C)CCCCC e94794e481d64dafbcfd2292f8da503f [1,1,0,0,0,0|2,0,0]=4 9721 B11R0.140 C=CCCO[C@H](C)CCCCC d489e0f89e8de2a7a5c798580c64906a [1,1,0,0,0,0|2,0,0]=4 9722 B11R0.140 C=CCOCC(C)CCCCC dde47fa40012a29f90c1bea0358b8a6f [1,1,0,0,0,0|2,0,0]=4 9723 B11R0.140 CCCCCC(C)COCC=O 4a1b0545365bd5f732037377ea10668c [1,1,0,0,0,0|1,0,0]=3 9724 B11R0.140 CCCCCC(C)NC/C=C\O 76bd26a58a9917c7294aa15c046ee28e [1,1,0,0,0,0|1,0,1]=4 9725 B11R0.140 CCCCCC(C)NCCC=O 884640ea657a6c58450f8b0ba7af66f9 [1,1,0,0,0,0|1,0,0]=3 9726 B11R0.140 CCCCCC(C)NCCCO 6ce8b1ff6fc28b8f96fcabf18f1f4835 [1,1,0,0,0,0|1,0,1]=4 9727 B11R0.140 CCCCCC(C)OCCC=O e6ec618b11d1c9bc00062141befcba74 [1,1,0,0,0,0|1,0,0]=3 9728 B11R0.140 CCCCCN(C)CCCC=O 7cb03c357afa5396c1566fcefdac33e8 [1,1,0,0,0,0|1,0,0]=3 9729 B11R0.140 CCCCCN(C)CCCCO c1bda2d7c23ebff2ff15e9d21aa7f778 [1,1,0,0,0,0|1,0,1]=4 9730 B11R0.140 CCCCC[C@@H](C)OCCC=O 13f5044c60c38ddef72f4178a1d792f0 [1,1,0,0,0,0|1,0,0]=3 9731 B11R0.140 CCCCC[C@H](C)NC/C=C\O 50d9be5e59d484b83e738a5dd5f06b17 [1,1,0,0,0,0|1,0,1]=4 9732 B11R0.140 CCCCC[C@H](C)NCCC=O db0aaccdcbc998610b9dc8f5ef6a4f77 [1,1,0,0,0,0|1,0,0]=3 9733 B11R0.140 CCCCC[C@H](C)NCCCO f42f4f5af4e85d656812f8de0a549128 [1,1,0,0,0,0|1,0,1]=4 9734 B11R0.140 CCCCC[C@H](C)OCCC=O 5954d8323fa87a2a72c5c22be2472904 [1,1,0,0,0,0|1,0,0]=3 9735 B11R0.140 CCCCNC(=O)CCCC=O 55dbea94e2d96e29b1593c4ba52bcf0a [1,1,0,0,0,0|1,0,1]=4 9736 B11R0.140 CCCCNC(C)CCCCO 53bd565484070c606e01dec30c2a1081 [1,1,0,0,0,0|1,0,1]=4 9737 B11R0.140 CCCOCC(C)COCC=O 1e9b565f2456f5875b6d56c83911b690 [1,1,0,0,0,0|2,0,0]=4 9738 B11R0.140 CCCOCC(C)OCCC=O c4020a617f28731830b967961353712e [1,1,0,0,0,0|2,0,0]=4 9739 B11R0.140 CCOCCN(C)CCCC=O 790224a485ab80a6a38cdbc0935231b3 [1,1,0,0,0,0|2,0,0]=4 9740 B11R0.140 CN(CCCC=O)CCCCO ac376000171ddcb8c6e8a7a93979bde9 [1,1,0,0,0,0|2,0,0]=4 9741 B11R0.140 COCCCN(C)CCCC=O 32168b135738b7e3c713d69c580e2c1e [1,1,0,0,0,0|2,0,0]=4 9742 B13R0.62 CCC(CC(=O)O)NCCCCCF ef0039cb546f93705d935618d502aa2a [0,2,0,0,0,0|2,0,0]=4 9743 B13R0.62 CCC(CC(=O)O)NCCCCCO 52320e30d039e6e8a852ef7282057ecc [0,2,0,0,0,0|2,0,0]=4 9744 B13R0.62 CCC(CC(=O)O)NCCCCOC 8c8b63dea8dd6e4963bc5447ea26ef09 [0,2,0,0,0,0|2,0,0]=4 9745 B13R0.62 CCC(CC(=O)O)OCCCCCF 59303bc099ef6cc77fd52bb3708b3903 [0,2,0,0,0,0|2,0,0]=4 9746 B13R0.62 CCC(CC(=O)O)OCCCCOC 8d2e439d37437fdffda74c4b11f68722 [0,2,0,0,0,0|2,0,0]=4 9747 B13R0.62 CCCCCCCN(CC)CC(=O)N c8cd970c0099362cacd6f817ac82cbd9 [0,2,0,0,0,0|2,0,0]=4 9748 B13R0.62 CCCCCCCN(CC)CC(=O)O 7659aee2ba92743606f9da7bcaab46ba [0,2,0,0,0,0|1,0,0]=3 9749 B13R0.62 CCCCCCNC(CC)CC(=O)O d0aa14aeafc92da566c480dc9c8ed05a [0,2,0,0,0,0|1,0,0]=3 9750 B13R0.62 CCCCCCNC(CO)CC(=O)O b934cd879736e1390bd07e268143881c [0,2,0,0,0,0|1,0,0]=3 9751 B13R0.62 CCCCCCN[C@@H](CC)CC(=O)O 8da28adc9351745cdb387f92a57b1588 [0,2,0,0,0,0|1,0,0]=3 9752 B13R0.62 CCCCCCN[C@@H](CO)CC(=O)O ed4aaa59982f54a9b0fbed307cbf5822 [0,2,0,0,0,0|1,0,0]=3 9753 B13R0.62 CCCCCCN[C@H](CC)CC(=O)O af8d628d084513ecb218ab1bff7fe2e9 [0,2,0,0,0,0|1,0,0]=3 9754 B13R0.62 CCCCCCN[C@H](CO)CC(=O)O 63c051e0009c9c07a4471fe5f269f31d [0,2,0,0,0,0|1,0,0]=3 9755 B13R0.62 CCCCCCOC(CC)CC(=O)O d8dca4781bffb514b62f0d2b327b52c7 [0,2,0,0,0,0|1,0,0]=3 9756 B13R0.62 CCCCCCO[C@@H](CC)CC(=O)O e7a06d285a646347669e0efc6281414c [0,2,0,0,0,0|1,0,0]=3 9757 B13R0.62 CCCCCCO[C@H](CC)CC(=O)O 86e7650d2cefa8c290923b79b6de5ea6 [0,2,0,0,0,0|1,0,0]=3 9758 B13R0.62 CCCCOCCN(CC)CC(=O)O cde69d3d923e8f3836c8c31609ee87df [0,2,0,0,0,0|2,0,0]=4 9759 B13R0.62 CCCCOCNC(CC)CC(=O)O 842e583cf7247203b1bd0ea67bc20279 [0,2,0,0,0,0|2,0,0]=4 9760 B13R0.62 CCCCOCNC(CO)CC(=O)O 0a4fac4036d5c4016821cabf6621253a [0,2,0,0,0,0|2,0,0]=4 9761 B13R0.62 CCCCOCN[C@@H](CC)CC(=O)O 1d41e02562bdd8e5be4abc3c5a66f551 [0,2,0,0,0,0|2,0,0]=4 9762 B13R0.62 CCCCOCN[C@@H](CO)CC(=O)O 1de23f516d545f99f0643988e0641c47 [0,2,0,0,0,0|2,0,0]=4 9763 B13R0.62 CCCCOCN[C@H](CC)CC(=O)O 7106382ff2deb9e28889599ce0373c54 [0,2,0,0,0,0|2,0,0]=4 9764 B13R0.62 CCCCOCN[C@H](CO)CC(=O)O 6285127fdd21099461cfb5e8b0790db8 [0,2,0,0,0,0|2,0,0]=4 9765 B13R0.62 CCCCOCOC(CC)CC(=O)O eea416c628cb73308d0fc73642c0107a [0,2,0,0,0,0|2,0,0]=4 9766 B13R0.62 CCCCOCO[C@@H](CC)CC(=O)O c81c759c3df1bb2a666c96a371fe6c03 [0,2,0,0,0,0|2,0,0]=4 9767 B13R0.62 CCCCOCO[C@H](CC)CC(=O)O 50d66fecb10128cc8c725ab7c41d0731 [0,2,0,0,0,0|2,0,0]=4 9768 B13R0.62 CCCOCCCN(CC)CC(=O)O 347d2fdf68e0a0c5f82a7523423ca82e [0,2,0,0,0,0|2,0,0]=4 9769 B13R0.62 CCCOCCNC(CC)CC(=O)O 1861b1fa8807f30195c30757923785af [0,2,0,0,0,0|2,0,0]=4 9770 B13R0.62 CCCOCCNC(CO)CC(=O)O c43d2eaa89b70260c633fb5418c8f120 [0,2,0,0,0,0|2,0,0]=4 9771 B13R0.62 CCCOCCN[C@@H](CC)CC(=O)O 8cafa57a2a57485a29d055f13cd8c3ab [0,2,0,0,0,0|2,0,0]=4 9772 B13R0.62 CCCOCCN[C@@H](CO)CC(=O)O c125bc8949ea9cdb07ba6d4cd1ca299b [0,2,0,0,0,0|2,0,0]=4 9773 B13R0.62 CCCOCCN[C@H](CC)CC(=O)O 8704cc8ccbbb26c93673888e1df1c365 [0,2,0,0,0,0|2,0,0]=4 9774 B13R0.62 CCCOCCN[C@H](CO)CC(=O)O 4543b1215c6ebc5a01c5fff755433caa [0,2,0,0,0,0|2,0,0]=4 9775 B13R0.62 CCCOCCOC(CC)CC(=O)O 615ead8b85a00bfc860e56ea33a7a67b [0,2,0,0,0,0|2,0,0]=4 9776 B13R0.62 CCCOCCO[C@@H](CC)CC(=O)O 40cd3c5c76bb72df760829ddad1dd4f7 [0,2,0,0,0,0|2,0,0]=4 9777 B13R0.62 CCCOCCO[C@H](CC)CC(=O)O 9f668f84433ac6eba49ae09381b783b9 [0,2,0,0,0,0|2,0,0]=4 9778 B13R0.62 CCN(CCCCCCF)CC(=O)O d714e5cffb16909f84e7f8374e1ed121 [0,2,0,0,0,0|2,0,0]=4 9779 B13R0.62 CCN(CCCCCCO)CC(=O)O b3d6f0e5f3ce338c297525a03f91cf44 [0,2,0,0,0,0|2,0,0]=4 9780 B13R0.62 CCN(CCCCCOC)CC(=O)O 124cf147467b22d2bf58f541c549bccc [0,2,0,0,0,0|2,0,0]=4 9781 B13R0.62 CCOCCCNC(CC)CC(=O)O c3a32783ebf5610eeaed93adf35ce047 [0,2,0,0,0,0|2,0,0]=4 9782 B13R0.62 CCOCCCNC(CO)CC(=O)O a1bcae3b573e0512dd02830b636beb6d [0,2,0,0,0,0|2,0,0]=4 9783 B13R0.62 CCOCCCN[C@@H](CC)CC(=O)O 92d7449d8ace796722ca90cc5752070a [0,2,0,0,0,0|2,0,0]=4 9784 B13R0.62 CCOCCCN[C@@H](CO)CC(=O)O 262887ec6a77dc0bf04d8beb5d9f01db [0,2,0,0,0,0|2,0,0]=4 9785 B13R0.62 CCOCCCN[C@H](CC)CC(=O)O ee165d223daf71d58b360b72806a2ab6 [0,2,0,0,0,0|2,0,0]=4 9786 B13R0.62 CCOCCCN[C@H](CO)CC(=O)O 5ab8c7e475d4e6f27ab5c4a55bd525bb [0,2,0,0,0,0|2,0,0]=4 9787 B13R0.62 CCOCCCOC(CC)CC(=O)O dd6e98c552deedc88da820378d5c4d6d [0,2,0,0,0,0|2,0,0]=4 9788 B13R0.62 CCOCCCO[C@@H](CC)CC(=O)O 65ba5ceebcb776ce21360399c48567cb [0,2,0,0,0,0|2,0,0]=4 9789 B13R0.62 CCOCCCO[C@H](CC)CC(=O)O a741aeb32734429e8dab540c09261e42 [0,2,0,0,0,0|2,0,0]=4 9790 B13R0.62 CCSCCCNC(CO)CC(=O)O 4795f402537d2f94a3294b2a867640c1 [0,2,0,0,0,0|2,0,0]=4 9791 B13R0.62 CCSCCCN[C@@H](CO)CC(=O)O 409cb9de6f5528a079fc71255f3a315a [0,2,0,0,0,0|2,0,0]=4 9792 B13R0.62 CCSCCCN[C@H](CO)CC(=O)O b30778be5196c5aeecd5c482c793d15a [0,2,0,0,0,0|2,0,0]=4 9793 B13R0.62 CCSCCCOC(CC)CC(=O)O 487223922810127eb2e68099bbf3ad22 [0,2,0,0,0,0|2,0,0]=4 9794 B13R0.62 CCSCCCO[C@@H](CC)CC(=O)O 568e047145725fa2e3225ec5d8dd935f [0,2,0,0,0,0|2,0,0]=4 9795 B13R0.62 CCSCCCO[C@H](CC)CC(=O)O b95b5c579caeae5380fbb5aa956ad8c6 [0,2,0,0,0,0|2,0,0]=4 9796 B13R0.62 CC[C@@H](CC(=O)O)NCCCCCF 59434484e17425c142acc73ce671d298 [0,2,0,0,0,0|2,0,0]=4 9797 B13R0.62 CC[C@@H](CC(=O)O)NCCCCCO fc8d7e7a934a78e35ab3cec4e1251d7f [0,2,0,0,0,0|2,0,0]=4 9798 B13R0.62 CC[C@@H](CC(=O)O)NCCCCOC f7a1457529ac037cc7e19a0b4538af88 [0,2,0,0,0,0|2,0,0]=4 9799 B13R0.62 CC[C@@H](CC(=O)O)OCCCCCF 7e2bf78ac457de0fce2dd2fe9c06128f [0,2,0,0,0,0|2,0,0]=4 9800 B13R0.62 CC[C@@H](CC(=O)O)OCCCCOC 13a15a1c0a36503efca1cd25db12b9f1 [0,2,0,0,0,0|2,0,0]=4 9801 B13R0.62 CC[C@H](CC(=O)O)NCCCCCF cec66e8bfbbdb4eedace3d13165912de [0,2,0,0,0,0|2,0,0]=4 9802 B13R0.62 CC[C@H](CC(=O)O)NCCCCCO cd2dc88dab475aac83281a9a8d98148e [0,2,0,0,0,0|2,0,0]=4 9803 B13R0.62 CC[C@H](CC(=O)O)NCCCCOC 6fb23a4225eeac1a5d7740ac953ecac7 [0,2,0,0,0,0|2,0,0]=4 9804 B13R0.62 CC[C@H](CC(=O)O)OCCCCCF e6ac972dc9f1094057e53980849ff305 [0,2,0,0,0,0|2,0,0]=4 9805 B13R0.62 CC[C@H](CC(=O)O)OCCCCOC 06d3b7683de9cec2baa7f2c12f317eb3 [0,2,0,0,0,0|2,0,0]=4 9806 B13R0.62 COCCCCNC(CO)CC(=O)O 2c5fcb823ea524109322bc1048f9c964 [0,2,0,0,0,0|2,0,0]=4 9807 B13R0.62 COCCCCN[C@@H](CO)CC(=O)O 2ae86decb611e64f0ced4da0e1125936 [0,2,0,0,0,0|2,0,0]=4 9808 B13R0.62 COCCCCN[C@H](CO)CC(=O)O 1e7578d57a6531b3244762a577670ef1 [0,2,0,0,0,0|2,0,0]=4 9809 B13R0.62 O=C(O)CC(CO)NCCCCCF cc89762a6ff2cd19ffbbf56b16f01c9c [0,2,0,0,0,0|2,0,0]=4 9810 B13R0.62 O=C(O)CC(CO)NCCCCCO 78ecda2a854bc8d50e61b246a26862d1 [0,2,0,0,0,0|2,0,0]=4 9811 B13R0.62 O=C(O)C[C@@H](CO)NCCCCCF 41d915ee9e85990cf47d0882f9c35d12 [0,2,0,0,0,0|2,0,0]=4 9812 B13R0.62 O=C(O)C[C@@H](CO)NCCCCCO ed386d8bd8f0569dc3a5a803fee1c52d [0,2,0,0,0,0|2,0,0]=4 9813 B13R0.62 O=C(O)C[C@H](CO)NCCCCCF 7938eadd0cce8833f7fd59d34f93a64d [0,2,0,0,0,0|2,0,0]=4 9814 B13R0.62 O=C(O)C[C@H](CO)NCCCCCO 38d587f1ca8af0ecbebee056b301772d [0,2,0,0,0,0|2,0,0]=4 9815 B13R0.115 CC(CC(=O)O)NC[C@H](C)CCCO fa62b3bac5d5a9ee992331d587e13150 [0,2,0,0,0,0|2,0,0]=4 9816 B13R0.115 CC(CCCO)NCC(O)CC(=O)O 6ab3e432694f9e364b8b309c35a62712 [0,2,0,0,0,0|2,0,0]=4 9817 B13R0.115 CC(CCCO)NC[C@@H](O)CC(=O)O 3a29c093663bb1384af1040720f64a59 [0,2,0,0,0,0|2,0,0]=4 9818 B13R0.115 CC(CCCO)NC[C@H](O)CC(=O)O d4122b2513e3d70415d8a2ab0e14a6cb [0,2,0,0,0,0|2,0,0]=4 9819 B13R0.115 CC(CCN(C)CCCO)CC(=O)O 05e397abd08d8bf3f283af2189a6e550 [0,2,0,0,0,0|2,0,0]=4 9820 B13R0.115 CCCCC(C)NCC(=O)CC(=O)O 04c09723b4b625d5b9b840fc4c996ece [0,2,0,0,0,0|1,0,1]=4 9821 B13R0.115 CCCCC(C)NCC(O)CC(=O)O 655e829ff57485db89d8c9328d2270ca [0,2,0,0,0,0|1,0,0]=3 9822 B13R0.115 CCCCC(C)NC[C@@H](O)CC(=O)O 2ec7cbc286bdb3ec6a33a93866509d5d [0,2,0,0,0,0|1,0,0]=3 9823 B13R0.115 CCCCC(C)NC[C@H](O)CC(=O)O 592298e7577937e64828e0651917552a [0,2,0,0,0,0|1,0,0]=3 9824 B13R0.115 CCCCC(C)OCC(=O)CC(=O)O 7fd056778d65aef69146a9ba1d53053d [0,2,0,0,0,0|1,0,1]=4 9825 B13R0.115 CCCCC(O)CNC(C)CC(=O)O b822eb8b99c9aaac23a345eb6ddeb905 [0,2,0,0,0,0|1,0,0]=3 9826 B13R0.115 CCCCN(C)CCC(C)CC(=O)O 56b28dd6db530691d5dc20c771fbd597 [0,2,0,0,0,0|1,0,0]=3 9827 B13R0.115 CCCC[C@@H](C)NCC(=O)CC(=O)O 1cdd1b97ce8024d90c3f20379b7f5369 [0,2,0,0,0,0|1,0,1]=4 9828 B13R0.115 CCCC[C@@H](C)OCC(=O)CC(=O)O d8424cbde6095db445742a88eb5da2e1 [0,2,0,0,0,0|1,0,1]=4 9829 B13R0.115 CCCC[C@H](C)OCC(=O)CC(=O)O 0c7b047ff425ceb18627a27f0b600d82 [0,2,0,0,0,0|1,0,1]=4 9830 B13R0.115 CCOCC(O)CNC(C)CC(=O)O 1ee75dd2e44ee70d6d76b7f6ce0907de [0,2,0,0,0,0|2,0,0]=4 9831 B13R0.115 COCCN(C)CCC(C)CC(=O)O e9c947f872cf86ea13b2ddac58037c1f [0,2,0,0,0,0|2,0,0]=4 9832 B13R0.115 CSCCN(C)CCC(C)CC(=O)O 02961e79c53b0d55281d1dc9f01dda44 [0,2,0,0,0,0|2,0,0]=4 9833 B13R0.178 C=C(C)CCCNCC(O)CC(=O)O 6ba005992a0aa99780a0178f71d50eba [0,2,0,0,0,0|1,0,1]=4 9834 B13R0.178 C=C(C)CCCNC[C@@H](O)CC(=O)O 63202d2f977f81b73ec1a5519a1346ad [0,2,0,0,0,0|1,0,1]=4 9835 B13R0.178 C=C(C)CCCNC[C@H](O)CC(=O)O 46dad19edb435c5d4f982c00a5762cf6 [0,2,0,0,0,0|1,0,1]=4 9836 B13R0.178 C=C(C)CCNCCC(C)CC(=O)O ad7fa64fb00efdad9018ffc123060e31 [0,2,0,0,0,0|1,0,1]=4 9837 B13R0.178 C=C(C)CCOCCC(C)CC(=O)O fb0350e115f59c1d4502ff53ab3d8191 [0,2,0,0,0,0|1,0,1]=4 9838 B13R0.178 CC(=O)CCCCCN(C)CC(=O)O 9c3b268f4eb8834e91a13dbeb4f052ac [0,2,0,0,0,0|1,0,1]=4 9839 B13R0.178 CC(=O)CCCCCN(C)CC(C)C 59f3de04417d0b11c641d4dfc102f48e [0,2,0,0,0,0|2,0,0]=4 9840 B13R0.178 CC(=O)CCCCCN(C)CC(C)O 0edc76576b3392f1e74613cc9baf9742 [0,2,0,0,0,0|2,0,0]=4 9841 B13R0.178 CC(=O)CCCCCN(C)C[C@H](C)O 6132689e5c71bdaee126331400579592 [0,2,0,0,0,0|2,0,0]=4 9842 B13R0.178 CC(=O)CCCCNC(C)CC(=O)O b61c4f67d73800ff375844340fda9f4a [0,2,0,0,0,0|1,0,1]=4 9843 B13R0.178 CC(=O)CCCCNC(C)CC(C)C 8c1bb84d7b91d658c25f52c56d421b6d [0,2,0,0,0,0|2,0,0]=4 9844 B13R0.178 CC(=O)CCCCNC(C)CC(C)O fef82890bfabc13183c2583400184a49 [0,2,0,0,0,0|2,0,0]=4 9845 B13R0.178 CC(=O)CCCCN[C@@H](C)CC(=O)O 6fbba9eeceefc689226427809161c3af [0,2,0,0,0,0|1,0,1]=4 9846 B13R0.178 CC(=O)CCCCN[C@H](C)CC(=O)O 9733c03d2b46e4c008eed466ee94c0e1 [0,2,0,0,0,0|1,0,1]=4 9847 B13R0.178 CC(=O)CCCCOC(C)CC(=O)O e63f709d71002aea1f4ffa83142233bc [0,2,0,0,0,0|1,0,1]=4 9848 B13R0.178 CC(=O)CCCCOC(C)CC(C)C 9106b10a117819c62d3679b6c5e5dd18 [0,2,0,0,0,0|2,0,0]=4 9849 B13R0.178 CC(=O)CCCCO[C@@H](C)CC(=O)O a0e9d40c8941019726e73ce34e79a097 [0,2,0,0,0,0|1,0,1]=4 9850 B13R0.178 CC(=O)CCCCO[C@@H](C)CC(C)C 3fbf72231dec2ba5228ac49e3b2e4bc3 [0,2,0,0,0,0|2,0,0]=4 9851 B13R0.178 CC(=O)CCCCO[C@H](C)CC(=O)O 7009af8092e6764669c48a5812f9dd74 [0,2,0,0,0,0|1,0,1]=4 9852 B13R0.178 CC(=O)CCCCO[C@H](C)CC(C)C a8174eb92f1f2a6b463de8eec25b5e84 [0,2,0,0,0,0|2,0,0]=4 9853 B13R0.178 CC(=O)CCCNCC(O)CC(=O)O 0d5febeda81898e25f16ab1ab4cb6da3 [0,2,0,0,0,0|1,0,1]=4 9854 B13R0.178 CC(=O)CCCNCC(O)CC(C)C 68bae660643c65c011f89676861dedf6 [0,2,0,0,0,0|2,0,0]=4 9855 B13R0.178 CC(=O)CCCNC[C@@H](O)CC(=O)O 8ea656d31271afdaff7636d6daf83f84 [0,2,0,0,0,0|1,0,1]=4 9856 B13R0.178 CC(=O)CCCNC[C@H](O)CC(=O)O fad1beb7129847fab782899d9204fb60 [0,2,0,0,0,0|1,0,1]=4 9857 B13R0.178 CC(=O)CCCOCC(C)CC(C)C d24ffec2b691b4ddebf1c01e983df8ba [0,2,0,0,0,0|2,0,0]=4 9858 B13R0.178 CC(=O)CCOCCC(C)CC(=O)O d041de29557835d05dfda5fda2cb1ca8 [0,2,0,0,0,0|1,0,1]=4 9859 B13R0.178 CC(=O)CCOCCC(C)CC(C)C fd47fed56da2f150ee2ff3fb1b394c30 [0,2,0,0,0,0|2,0,0]=4 9860 B13R0.178 CC(C)CC(=O)CNCCCC(=O)O daabbc1743d0411d389a44a80fd0451e [0,2,0,0,0,0|1,0,1]=4 9861 B13R0.178 CC(C)CC(C)CCCOCC(=O)N bdf0ca0899fe28ea08025e11d279f539 [0,2,0,0,0,0|2,0,0]=4 9862 B13R0.178 CC(C)CC(C)CCCOCC(=O)O cb383a15dae4a1dac59a300898e7cb8e [0,2,0,0,0,0|1,0,0]=3 9863 B13R0.178 CC(C)CC(C)CCOCCC(=O)N 6b8b81206f4425effccfda2d6ad912f8 [0,2,0,0,0,0|2,0,0]=4 9864 B13R0.178 CC(C)CC(C)CCOCCC(=O)O a99e9d016964b0701911e0c957d1d067 [0,2,0,0,0,0|1,0,0]=3 9865 B13R0.178 CC(C)CC(C)COCCCC(=O)N a67c00294be0dbcfd7f65fca14de41ce [0,2,0,0,0,0|2,0,0]=4 9866 B13R0.178 CC(C)CC(C)COCCCC(=O)O 0c15687e97b1020aefb828b37523e82c [0,2,0,0,0,0|1,0,0]=3 9867 B13R0.178 CC(C)CC(C)NCCCCC(=O)N 218df4c94e060e0c0f229e8f601042f4 [0,2,0,0,0,0|2,0,0]=4 9868 B13R0.178 CC(C)CC(C)NCCCCC(=O)O 7991057dfd1fc4e839304b7276eadae2 [0,2,0,0,0,0|1,0,0]=3 9869 B13R0.178 CC(C)CC(C)NCCOCC(=O)O d86cbe6a896d4adea7d01413396e46bf [0,2,0,0,0,0|2,0,0]=4 9870 B13R0.178 CC(C)CC(C)NCCSCC(=O)O b68ab0f0ee1a7c3d53cd474d496fd013 [0,2,0,0,0,0|2,0,0]=4 9871 B13R0.178 CC(C)CC(C)OCCCCC(=O)N 649b01bec8a0c6aec84dd4d2cdb3858e [0,2,0,0,0,0|2,0,0]=4 9872 B13R0.178 CC(C)CC(C)OCCCCC(=O)O c6a4f3d09e32e6bdabd3dfb366c791d0 [0,2,0,0,0,0|1,0,0]=3 9873 B13R0.178 CC(C)CC(C)OCCOCC(=O)O e782bd94473be42a03f170b18fc77bdb [0,2,0,0,0,0|2,0,0]=4 9874 B13R0.178 CC(C)CC(O)CNCCCC(=O)N 2b25eb024870fa56dffb763539550f23 [0,2,0,0,0,0|2,0,0]=4 9875 B13R0.178 CC(C)CC(O)CNCCCC(=O)O 8091587da6786f2449fcc322120f444d [0,2,0,0,0,0|1,0,0]=3 9876 B13R0.178 CC(C)CCCCCN(C)CC(=O)N 70a06a79fd6737196b3e751ef5df24c6 [0,2,0,0,0,0|2,0,0]=4 9877 B13R0.178 CC(C)CCCCCN(C)CC(=O)O b0e8c9db63624ce9de16b2b7527fe782 [0,2,0,0,0,0|1,0,0]=3 9878 B13R0.178 CC(C)CCCCNC(C)CC(=O)O e129e8cd99b578bd67bbeb741dbfebd9 [0,2,0,0,0,0|1,0,0]=3 9879 B13R0.178 CC(C)CCCCN[C@@H](C)CC(=O)O d4ccad0deb56b50b54fe6c628461bc6f [0,2,0,0,0,0|1,0,0]=3 9880 B13R0.178 CC(C)CCCCN[C@H](C)CC(=O)O a7605bb537ef6cfba60aeb724c50f8e8 [0,2,0,0,0,0|1,0,0]=3 9881 B13R0.178 CC(C)CCCCOC(C)CC(=O)N 064b2c992b2bdbb7d026ba062ebee828 [0,2,0,0,0,0|2,0,0]=4 9882 B13R0.178 CC(C)CCCCOC(C)CC(=O)O 64c176f2a11f116246caa83f8d448fb8 [0,2,0,0,0,0|1,0,0]=3 9883 B13R0.178 CC(C)CCCCO[C@@H](C)CC(=O)O 34550b9b0222a06f6aebf6e3417d924d [0,2,0,0,0,0|1,0,0]=3 9884 B13R0.178 CC(C)CCCCO[C@H](C)CC(=O)O ddb090a6703761bcc1202b477332521b [0,2,0,0,0,0|1,0,0]=3 9885 B13R0.178 CC(C)CCCNCC(=O)CC(=O)O a63364df08ab079f3f825fec4fefc2bb [0,2,0,0,0,0|1,0,1]=4 9886 B13R0.178 CC(C)CCCNCC(O)CC(=O)O 0580a73e1957ac3d235a7f7639b663f4 [0,2,0,0,0,0|1,0,0]=3 9887 B13R0.178 CC(C)CCCNC[C@@H](O)CC(=O)O ec3b0eb3e084f8c7786c95f1e16685a2 [0,2,0,0,0,0|1,0,0]=3 9888 B13R0.178 CC(C)CCCNC[C@H](O)CC(=O)O 0c9f911c52884c3dad9e5a37c6626701 [0,2,0,0,0,0|1,0,0]=3 9889 B13R0.178 CC(C)CCCOCC(=O)CC(=O)O a73ef225f4966a9cfbc8d8f1b76e9cb7 [0,2,0,0,0,0|1,0,1]=4 9890 B13R0.178 CC(C)CCNCCC(C)CC(=O)O 8eb1fb4c4e0a9d4954b321c86ba57a80 [0,2,0,0,0,0|1,0,0]=3 9891 B13R0.178 CC(C)CCOCCC(C)CC(=O)O b4643061d9d4bc65d53c919c5b497a85 [0,2,0,0,0,0|1,0,0]=3 9892 B13R0.178 CC(C)CCOCCN(C)CC(=O)O 402ad8983966a13594d800d916c8a2db [0,2,0,0,0,0|2,0,0]=4 9893 B13R0.178 CC(C)CN(C)CCCCCC(=O)N 62dceff85d4aaeb8d3723f78fdfcb2b4 [0,2,0,0,0,0|2,0,0]=4 9894 B13R0.178 CC(C)CN(C)CCOCCC(=O)O e15a685306cec66ee5f86dd1e6b5207a [0,2,0,0,0,0|2,0,0]=4 9895 B13R0.178 CC(C)COCCNC(C)CC(=O)O 05426a40113903a82790ae68e436ec13 [0,2,0,0,0,0|2,0,0]=4 9896 B13R0.178 CC(C)COCCN[C@@H](C)CC(=O)O 92c2c451afe05641c360173ecdb03bb1 [0,2,0,0,0,0|2,0,0]=4 9897 B13R0.178 CC(C)COCCN[C@H](C)CC(=O)O b2097d75097d7d746d19e1e433fe9be5 [0,2,0,0,0,0|2,0,0]=4 9898 B13R0.178 CC(C)COCCOC(C)CC(=O)O 02272dacb0092b1379cdee5b0d4b99a4 [0,2,0,0,0,0|2,0,0]=4 9899 B13R0.178 CC(C)COCCO[C@@H](C)CC(=O)O 607a060f894353744ca2254582b36ff6 [0,2,0,0,0,0|2,0,0]=4 9900 B13R0.178 CC(C)COCCO[C@H](C)CC(=O)O 91b222190fa5d38085e0feaf1a3b921a [0,2,0,0,0,0|2,0,0]=4 9901 B13R0.178 CC(C)CSCCOC(C)CC(=O)O 485d5ff2ca25ad59359ccf396575ceb2 [0,2,0,0,0,0|2,0,0]=4 9902 B13R0.178 CC(C)C[C@@H](C)OCCCCC(=O)N c5bdc1f65525ba1413922e1c8d81bdde [0,2,0,0,0,0|2,0,0]=4 9903 B13R0.178 CC(C)C[C@@H](C)OCCOCC(=O)O 18b7789d1e9b4de63e02c96b88806b54 [0,2,0,0,0,0|2,0,0]=4 9904 B13R0.178 CC(C)C[C@H](C)OCCCCC(=O)N e097a4a39b1affdc29660cf4189980c0 [0,2,0,0,0,0|2,0,0]=4 9905 B13R0.178 CC(C)C[C@H](C)OCCOCC(=O)O 167df387176cc8e25ba5a530d4c29dec [0,2,0,0,0,0|2,0,0]=4 9906 B13R0.178 CC(C)OC(C)CCCCCC(=O)O 3e1406413c5a3cdcfec770d86f2b40d0 [0,2,0,0,0,0|1,0,0]=3 9907 B13R0.178 CC(C)OCCNCC(O)CC(=O)O 8812ab1dfe47602bb73a91550723a4e0 [0,2,0,0,0,0|2,0,0]=4 9908 B13R0.178 CC(C)OCCNC[C@@H](O)CC(=O)O 9a4aed1f9c6a2f271e778513282b7569 [0,2,0,0,0,0|2,0,0]=4 9909 B13R0.178 CC(C)OCCNC[C@H](O)CC(=O)O d02a880ac56c5412f2c463b656978d7a [0,2,0,0,0,0|2,0,0]=4 9910 B13R0.178 CC(C)SCCNCC(O)CC(=O)O d68cbcc0f920d32c23ad8f080df14abd [0,2,0,0,0,0|2,0,0]=4 9911 B13R0.178 CC(C)SCCNC[C@@H](O)CC(=O)O 39e3fbe53b3d20d051b9098bb01f1a44 [0,2,0,0,0,0|2,0,0]=4 9912 B13R0.178 CC(C)SCCNC[C@H](O)CC(=O)O 38fd2b2fc821959b72cf660be0331db7 [0,2,0,0,0,0|2,0,0]=4 9913 B13R0.178 CC(CC(=O)O)NCCCCC(F)F d52351d71ef82413e209c21f81310ea5 [0,2,0,0,0,0|2,0,0]=4 9914 B13R0.178 CC(CC(=O)O)NCCCCN(C)C 5c14090cb8fdd720336e80b03b6c97b8 [0,2,0,0,0,0|2,0,0]=4 9915 B13R0.178 CC(CC(=O)O)NCCCC[C@@H](C)O 1e74f33544a5e849743a78d58520efd5 [0,2,0,0,0,0|1,0,0]=3 9916 B13R0.178 CC(CC(=O)O)NCCCOC(C)C 67b98781b01b0e133cba903d1c56e14e [0,2,0,0,0,0|2,0,0]=4 9917 B13R0.178 CC(CC(=O)O)NCCCSC(C)C a9680bfffe251b91bf57b5f1726eb0b4 [0,2,0,0,0,0|2,0,0]=4 9918 B13R0.178 CC(CC(=O)O)OCCCCN(C)C 9a909f3b12252305b4983b586827de96 [0,2,0,0,0,0|2,0,0]=4 9919 B13R0.178 CC(CCNCCC(F)F)CC(=O)O a337400d16dedb46b3bb3d403aa5d52d [0,2,0,0,0,0|2,0,0]=4 9920 B13R0.178 CC(CCNCCN(C)C)CC(=O)O a3bda91256438d58591115437bd67624 [0,2,0,0,0,0|2,0,0]=4 9921 B13R0.178 CC(CCNCCS(=O)C)CC(=O)O 64b62868ef217cd98639bd9e5a439279 [0,2,0,0,0,0|2,0,0]=4 9922 B13R0.178 CC(CCNCC[C@@H](C)O)CC(=O)O 45bdb950675cdb7090b808767c6390ab [0,2,0,0,0,0|1,0,0]=3 9923 B13R0.178 CC(CCNCC[C@H](C)O)CC(=O)O 53745b326169245cf18d7ca2e105047b [0,2,0,0,0,0|1,0,0]=3 9924 B13R0.178 CC(CCOCCC(F)F)CC(=O)O 9fcdeaf6af23bd58dc9b78e9ebe6d53e [0,2,0,0,0,0|2,0,0]=4 9925 B13R0.178 CC(CCOCCN(C)C)CC(=O)O 22f2f6128731ff23ce1958ce5776b328 [0,2,0,0,0,0|2,0,0]=4 9926 B13R0.178 CC(CCOCCS(=O)C)CC(=O)O c70d626f188868b18b35e15a8dd6c96c [0,2,0,0,0,0|2,0,0]=4 9927 B13R0.178 CC(CN(C)C)NCCCCC(=O)O 29f245f3a3b0d30ec94940759d9f3349 [0,2,0,0,0,0|2,0,0]=4 9928 B13R0.178 CC(CNCCCC(=O)O)CN(C)C 92f0c62646393e7a6131188314f0a944 [0,2,0,0,0,0|2,0,0]=4 9929 B13R0.178 CC(O)CC(C)NCCCCC(=O)N 6ab373133937ff92328938c08744cea1 [0,2,0,0,0,0|2,0,0]=4 9930 B13R0.178 CC(O)CC(C)NCCCCC(=O)O 4b8d599cec327308c73032499cfea406 [0,2,0,0,0,0|1,0,0]=3 9931 B13R0.178 CC(O)CC(C)NCCOCC(=O)O 360dcdaee6252e2ebb7733ab0b1459cd [0,2,0,0,0,0|2,0,0]=4 9932 B13R0.178 CC(O)CCCCNC(C)CC(=O)O 8dbdea7e642136fccadd9db09ebbc92b [0,2,0,0,0,0|1,0,0]=3 9933 B13R0.178 CC(O)CCCCN[C@@H](C)CC(=O)O 59380711c81ac997797537fe8efb4c35 [0,2,0,0,0,0|1,0,0]=3 9934 B13R0.178 CC(O)CCCCN[C@H](C)CC(=O)O d94d6463e9a6d21ee63aa1e906204940 [0,2,0,0,0,0|1,0,0]=3 9935 B13R0.178 CC(O)CCCNCC(O)CC(=O)O 8325cac4a36ece266792ec1ef6671cb3 [0,2,0,0,0,0|1,0,0]=3 9936 B13R0.178 CC(O)CCCNC[C@@H](O)CC(=O)O 7ab9b5a1e06216968c8950cbd4afc9e2 [0,2,0,0,0,0|1,0,0]=3 9937 B13R0.178 CC(O)CCCNC[C@H](O)CC(=O)O 6e685eb09e98622ce016c0d1e2aac461 [0,2,0,0,0,0|1,0,0]=3 9938 B13R0.178 CC(O)CCNCCC(C)CC(=O)O 6a4278be3ba5c2b5ca19397316ebbc57 [0,2,0,0,0,0|1,0,0]=3 9939 B13R0.178 CC(O)CN(C)CCCCCC(=O)N d2c6ecca304db16e86700ad6b18ff6c2 [0,2,0,0,0,0|2,0,0]=4 9940 B13R0.178 CC(O)CN(C)CCCOCC(=O)O 0b24b0dd68d50581f53a024f48385d04 [0,2,0,0,0,0|2,0,0]=4 9941 B13R0.178 CC(O)CN(C)CCOCCC(=O)O fcd572f1f0d87d87be62e7f44374a0ff [0,2,0,0,0,0|2,0,0]=4 9942 B13R0.178 CN(C)CC(O)CNCCCC(=O)O 5d3566741dc32f856822e2732f3e5370 [0,2,0,0,0,0|2,0,0]=4 9943 B13R0.178 CN(C)CCCNCC(O)CC(=O)O 5c1e7e33a5c361c56417fbb086e59986 [0,2,0,0,0,0|2,0,0]=4 9944 B13R0.178 CN(C)CCCNC[C@@H](O)CC(=O)O c417da3b3c7f8c60301dd3ca7b763f07 [0,2,0,0,0,0|2,0,0]=4 9945 B13R0.178 CN(C)CCCNC[C@H](O)CC(=O)O 25d93af7f550f6902823793beead646e [0,2,0,0,0,0|2,0,0]=4 9946 B13R0.178 CN(CCCCCC(=O)O)CC(F)F 26cb5e9f092cbf980e5b2d1a839aca25 [0,2,0,0,0,0|2,0,0]=4 9947 B13R0.178 CN(CCCCCC(F)F)CC(=O)O b49387a4ed50fb2310d3ca660389119e [0,2,0,0,0,0|2,0,0]=4 9948 B13R0.178 C[C@@H](CC(=O)O)NCCCCN(C)C 188e25c1d75595a9323981fc2ba7dbd3 [0,2,0,0,0,0|2,0,0]=4 9949 B13R0.178 C[C@@H](CN(C)C)NCCCCC(=O)O bf0bad870e9e99cf8b79b17f6ea99777 [0,2,0,0,0,0|2,0,0]=4 9950 B13R0.178 C[C@@H](O)CCCCN[C@@H](C)CC(=O)O 483efabd16f3bcd6423edfd64b4f7104 [0,2,0,0,0,0|1,0,0]=3 9951 B13R0.178 C[C@@H](O)CN(C)CCOCCC(=O)O 20d706d4e9deb89a51053c08f029f5ae [0,2,0,0,0,0|2,0,0]=4 9952 B13R0.178 C[C@H](CC(=O)O)NCCCCN(C)C f2dec49288ef3511e271d78279f18b1b [0,2,0,0,0,0|2,0,0]=4 9953 B13R0.178 C[C@H](CC(=O)O)NCCCC[C@@H](C)O de8b9a10c9ce1734aba6faad549ce9f3 [0,2,0,0,0,0|1,0,0]=3 9954 B13R0.178 C[C@H](CN(C)C)NCCCCC(=O)O 0b016b89d7ce0ea5cc438e49362c9bf1 [0,2,0,0,0,0|2,0,0]=4 9955 B13R0.178 C[C@H](O)CN(C)CCCCCC(=O)N 7c005bc5d64932408e2477030b9edeab [0,2,0,0,0,0|2,0,0]=4 9956 B13R0.178 C[C@H](O)CN(C)CCCOCC(=O)O c9262246c615a9a15e1c23068d2ba5d6 [0,2,0,0,0,0|2,0,0]=4 9957 B13R0.178 C[C@H](O)CN(C)CCOCCC(=O)O 2201881e0d58370ccdeff9bb9f94f57b [0,2,0,0,0,0|2,0,0]=4 9958 B13R0.198 CC(CCNCC(Br)CBr)CC(=O)O e896d25fdf79dd0d13dd6f0326374aa5 [0,2,0,0,0,0|2,0,0]=4 9959 B13R0.198 CC(CCNCC(F)CO)CC(=O)O 5ed71d568c718d2a34a874815b38f0a7 [0,2,0,0,0,0|2,0,0]=4 9960 B13R0.198 CC(CCNCC(O)CO)CC(=O)O cdbd57df7585e765f8ba85320047a4a9 [0,2,0,0,0,0|2,0,0]=4 9961 B13R0.198 CC(CCNC[C@@H](F)CO)CC(=O)O 28d6a0f558ab62063a8d58128e0b8b1f [0,2,0,0,0,0|2,0,0]=4 9962 B13R0.198 CC(CCNC[C@@H](O)CO)CC(=O)O 1be807a1b72f93950a8ce8884cca155b [0,2,0,0,0,0|2,0,0]=4 9963 B13R0.198 CC(CCNC[C@H](C)CO)CC(=O)O 3f17379dc4766e9daef2d733badaa3f5 [0,2,0,0,0,0|2,0,0]=4 9964 B13R0.198 CC(CCNC[C@H](F)CO)CC(=O)O 65ac60ca0615de7b0fe00e9bde7987dd [0,2,0,0,0,0|2,0,0]=4 9965 B13R0.198 CC(CCNC[C@H](O)CO)CC(=O)O 3458f4edb4ffaa185c2bfe38c4fa10f2 [0,2,0,0,0,0|2,0,0]=4 9966 B13R0.198 CC(CCOCC(Br)CBr)CC(=O)O ac25db8537e7623e62c745f83adcc223 [0,2,0,0,0,0|2,0,0]=4 9967 B13R0.198 CC(CCOCC(Cl)CCl)CC(=O)O f74ef2caa59e1bc53617eb2a4fbf897e [0,2,0,0,0,0|2,0,0]=4 9968 B13R0.198 CC(CCOCC(S)CS)CC(=O)O d3945ff8ea3f0a5404fa0644d8e9f2f0 [0,2,0,0,0,0|2,0,0]=4 9969 B13R0.198 CC(CO)CCCNC(C)CC(=O)O 4a5575d649d61ed835a9a141b1374963 [0,2,0,0,0,0|2,0,0]=4 9970 B13R0.198 CC(CO)CCNCC(O)CC(=O)O b318dad561b5fdb65d0ec81044c104ee [0,2,0,0,0,0|2,0,0]=4 9971 B13R0.198 CC(CO)CCNC[C@@H](O)CC(=O)O 2f37d12dea7610f49bc83fd909d1e9fa [0,2,0,0,0,0|2,0,0]=4 9972 B13R0.198 CC(CO)CCNC[C@H](O)CC(=O)O 6618603da35fea8c901cce140ab9f85d [0,2,0,0,0,0|2,0,0]=4 9973 B13R0.198 CC(CO)CNCCC(C)CC(=O)O a47c8a472af7575254bf04983f0358d6 [0,2,0,0,0,0|2,0,0]=4 9974 B13R0.198 CCC(=O)CCCCN(C)CC(=O)O aaaab9093675c28ee18f5ee7f4f06844 [0,2,0,0,0,0|1,0,1]=4 9975 B13R0.198 CCC(=O)COCCC(C)CC(=O)O 914f58c0c33a95d2c88b8fcc25399e6b [0,2,0,0,0,0|1,0,1]=4 9976 B13R0.198 CCC(C)CCCOC(C)CC(=O)O 14b6ef850934536ea70a1c2b4c35ae66 [0,2,0,0,0,0|1,0,0]=3 9977 B13R0.198 CCC(C)CCNCC(=O)CC(=O)O fa7b0cf7ebb00bffdd6f92306423b512 [0,2,0,0,0,0|1,0,1]=4 9978 B13R0.198 CCC(C)CCNCC(O)CC(=O)O 71e860d638ad16a9e7fc91c05e4abfdc [0,2,0,0,0,0|1,0,0]=3 9979 B13R0.198 CCC(C)CCNC[C@@H](O)CC(=O)O 0f7689c9ba108f9239706d6542cf739f [0,2,0,0,0,0|1,0,0]=3 9980 B13R0.198 CCC(C)CCNC[C@H](O)CC(=O)O f2dcd51483c0b4b864a57eefa15c7532 [0,2,0,0,0,0|1,0,0]=3 9981 B13R0.198 CCC(C)CCOCC(=O)CC(=O)O d576dc097b156ea50f331ac213412153 [0,2,0,0,0,0|1,0,1]=4 9982 B13R0.198 CCC(C)CNCCC(C)CC(=O)O aff9358ec6652459d0cd547ccc449c49 [0,2,0,0,0,0|1,0,0]=3 9983 B13R0.198 CCC(C)COCCC(C)CC(=O)O 2eef8a07b2429e5c009deebc9f6194bd [0,2,0,0,0,0|1,0,0]=3 9984 B13R0.198 CCC(C)COCCN(C)CC(=O)O 91480dac7fe8975ee243ddbdcec64678 [0,2,0,0,0,0|2,0,0]=4 9985 B13R0.198 CCC(O)CNCCC(C)CC(=O)O ee5cddcae8956e5e35d6b50df4d32496 [0,2,0,0,0,0|1,0,0]=3 9986 B13R0.198 CCC(S)CCOCC(=O)CC(=O)O 4de910abe96ceec9db2f85368f36cd22 [0,2,0,0,0,0|1,0,1]=4 9987 B13R0.198 CCN(C)CCCNC(C)CC(=O)O a9d502e20d2847804c40834650e7234b [0,2,0,0,0,0|2,0,0]=4 9988 B13R0.198 CCN(C)CCCOC(C)CC(=O)O acf19ed64f7e7e00cbc0f9d39862904b [0,2,0,0,0,0|2,0,0]=4 9989 B13R0.198 CCS(=O)CCNCC(O)CC(=O)O 8f6ad846730b2a2f41781481454b1c89 [0,2,0,0,0,0|2,0,0]=4 9990 B13R0.198 CCS(=O)CCNC[C@@H](O)CC(=O)O 14a5177d120f12bdb5e291cfc1dbc42f [0,2,0,0,0,0|2,0,0]=4 9991 B13R0.198 CCS(=O)CCNC[C@H](O)CC(=O)O 7340ba9945fa35d2e6424d2b579f5611 [0,2,0,0,0,0|2,0,0]=4 9992 B13R0.198 CC[C@@H](C)COCCC(C)CC(=O)O cd6d4f66e1ecc58ee1ffeb89ca1d90d6 [0,2,0,0,0,0|1,0,0]=3 9993 B13R0.198 CC[C@@H](C)COCCN(C)CC(=O)O 2ea1d850f49ebcfc0db88d225125f224 [0,2,0,0,0,0|2,0,0]=4 9994 B13R0.198 CC[C@@H](O)CNCCC(C)CC(=O)O eef99d0ce5995a70bf22d1eb55b58145 [0,2,0,0,0,0|1,0,0]=3 9995 B13R0.198 CC[C@H](C)CCCOC(C)CC(=O)O 5dad0817779986cac01d74c2b54bc24c [0,2,0,0,0,0|1,0,0]=3 9996 B13R0.198 CC[C@H](C)CCOCC(=O)CC(=O)O b115aadaa7b5b4ff4ef8053e63ca3ad8 [0,2,0,0,0,0|1,0,1]=4 9997 B13R0.198 CC[C@H](C)CNCCC(C)CC(=O)O 3a7d34bc1f3e38c5eb6a92b67efea15c [0,2,0,0,0,0|1,0,0]=3 9998 B13R0.198 CC[C@H](C)COCCC(C)CC(=O)O 6bf32693254b57e9cb867a71de4d3b12 [0,2,0,0,0,0|1,0,0]=3 9999 B13R0.198 CC[C@H](C)COCCN(C)CC(=O)O 3ca707e890f24bfd0331225afd1c5073 [0,2,0,0,0,0|2,0,0]=4 10000 B13R0.198 COC(C)COCCC(C)CC(=O)O bea9a6ef98dcaa98334978a23c714bec [0,2,0,0,0,0|2,0,0]=4 10001 B13R0.198 CO[C@@H](C)CNCCC(C)CC(=O)O 556c1893983661edefae3a3ad3db385b [0,2,0,0,0,0|2,0,0]=4 10002 B13R0.198 CO[C@@H](C)COCCC(C)CC(=O)O 5bd69b03cadc5f6fbd8e1542da1e444e [0,2,0,0,0,0|2,0,0]=4 10003 B13R0.198 CO[C@H](C)CNCCC(C)CC(=O)O e605a7768eeb81db72a791b6efe18476 [0,2,0,0,0,0|2,0,0]=4 10004 B13R0.198 CO[C@H](C)COCCC(C)CC(=O)O 3425677746e09ecb402f1ca2cc6751c7 [0,2,0,0,0,0|2,0,0]=4 10005 B13R0.274 C#CC(=O)N[C@@H](C)CCCCCCC 48251e1809d30c604780a302a6758a9f [0,2,0,0,0,0|2,0,0]=4 10006 B13R0.274 C=C(CN(C)CCCCCCC)OC ee686381315e12a08148f4d2e34c465d [0,2,0,0,0,0|2,0,0]=4 10007 B13R0.274 C=C(CNCCCCC)CC(=O)OC 52dcb0bda19e09ea079658a0b4ca4b56 [0,2,0,0,0,0|1,0,1]=4 10008 B13R0.274 C=C(CO)CN(C)CCCCCCC ea141adfe0981957c33c2077b1914089 [0,2,0,0,0,0|2,0,0]=4 10009 B13R0.274 C=C(COCCCCC)CC(=O)OC f6ca2f0ac93345affaf68bb7b9f233fa [0,2,0,0,0,0|1,0,1]=4 10010 B13R0.274 C=CC(=O)N[C@@H](C)CCCCCCC 3f7ac1a2c7c87a7a0270daa9947f0979 [0,2,0,0,0,0|2,0,0]=4 10011 B13R0.274 CCCCCCCN(C)CC(=O)CC 5362fd357a5b4baf3074c99a5097ff6c [0,2,0,0,0,0|2,0,0]=4 10012 B13R0.274 CCCCCCCN(C)CC(=O)CO d90ca473b76d176c312c1844550be300 [0,2,0,0,0,0|1,0,0]=3 10013 B13R0.274 CCCCCCCN(C)CC(=O)NC 2ab45f8e59b3d20d061c80af64cf6834 [0,2,0,0,0,0|2,0,0]=4 10014 B13R0.274 CCCCCCCN(C)CC(=O)OC 596190d2f5d736f4fd66125fd9744770 [0,2,0,0,0,0|1,0,0]=3 10015 B13R0.274 CCCCCCC[C@H](C)NC(=O)C=O 241e1fbc475518ea2a6bc01abcbb0072 [0,2,0,0,0,0|1,0,1]=4 10016 B13R0.274 CCCCCCC[C@H](C)NC(=O)CC 6dc234563280eced45be680a7bfa8678 [0,2,0,0,0,0|2,0,0]=4 10017 B13R0.274 CCCCCCC[C@H](C)NC(=O)CF 34d16bcc57124d05421d05a40b7c90c8 [0,2,0,0,0,0|2,0,0]=4 10018 B13R0.274 CCCCCCC[C@H](C)NC(=O)CO 7d6dd016a7543752d40c6bef3c1d6ce7 [0,2,0,0,0,0|1,0,0]=3 10019 B13R0.274 CCCCCCC[C@H](C)NC(=O)CS afc8559829ee5fcf6e06342314766d92 [0,2,0,0,0,0|1,1,0]=4 10020 B13R0.274 CCCCCCNC(=O)CC(=O)OC f91350f17e8090465cdacf985e4602e5 [0,2,0,0,0,0|1,0,1]=4 10021 B13R0.274 CCCCCCNC(C)CC(=O)OC 7a70574f8ef75d9e06f2b379ac2b0781 [0,2,0,0,0,0|1,0,0]=3 10022 B13R0.274 CCCCCCNC(C)OC(=O)OC 7dcc3c1e4802055566aaf7ee981d5187 [0,2,0,0,0,0|2,0,0]=4 10023 B13R0.274 CCCCCCN[C@@H](C)CC(=O)OC 3e1a0b3cf5bcbbd3f40d8dab95fa1048 [0,2,0,0,0,0|1,0,0]=3 10024 B13R0.274 CCCCCCN[C@H](C)CC(=O)OC b13b935782308901fd6970170eab2536 [0,2,0,0,0,0|1,0,0]=3 10025 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a0e192cb6ed70f7f4949714a2e9e9ef [0,2,0,0,0,0|1,0,0]=3 10026 B13R0.274 CCCCCCOC(C)OC(=O)OC c71a39b7cb01f6ca4d0a818b023de938 [0,2,0,0,0,0|2,0,0]=4 10027 B13R0.274 CCCCCCO[C@@H](C)CC(=O)OC 8d5637ec4cd8a3e0abfa025ae113ddef [0,2,0,0,0,0|1,0,0]=3 10028 B13R0.274 CCCCCCO[C@H](C)CC(=O)OC 561d72264c1f828400f06ff4b8521599 [0,2,0,0,0,0|1,0,0]=3 10029 B13R0.274 CCCCCNCC(=O)CC(=O)OC 2da419cbeb7694e6d22b1044332ba44c [0,2,0,0,0,0|1,0,1]=4 10030 B13R0.274 CCCCCNCC(C)CC(=O)OC a440ad2b72fa67f93a975f52fb505f72 [0,2,0,0,0,0|1,0,0]=3 10031 B13R0.274 CCCCCNCC(O)CC(=O)OC ae769c7aefdbba6a6283b56ee9628ea7 [0,2,0,0,0,0|1,0,0]=3 10032 B13R0.274 CCCCCNC[C@@H](O)CC(=O)OC abfe0cb10ef525f15b6a9f7e64f85145 [0,2,0,0,0,0|1,0,0]=3 10033 B13R0.274 CCCCCNC[C@H](O)CC(=O)OC 76183e31eb7af31599ff2d783d1eaa99 [0,2,0,0,0,0|1,0,0]=3 10034 B13R0.274 CCCCCOCC(=O)CC(=O)OC b7c38cb41a88b2caf98735264879916f [0,2,0,0,0,0|1,0,1]=4 10035 B13R0.274 CCCCCOCC(C)CC(=O)OC 2e72bfc3b250857f75724ca64f24e72a [0,2,0,0,0,0|1,0,0]=3 10036 B13R0.274 CCCCNCC[C@@H](C)CC(=O)OC 8f9c3c9d261bf579d5a4a3330c082caa [0,2,0,0,0,0|1,0,0]=3 10037 B13R0.274 CCCCOCCC(=O)CC(=O)OC c822b82ecaeb14f52e2087e6cf9bbad1 [0,2,0,0,0,0|1,0,1]=4 10038 B13R0.274 CCCCOCCN(C)CC(=O)OC 1e5e3be8b1d1bc2a02ad3f6d5e141aaf [0,2,0,0,0,0|2,0,0]=4 10039 B13R0.274 CCCCOCC[C@@H](C)CC(=O)OC 4b58065cbaddec064c8905e57d8606eb [0,2,0,0,0,0|1,0,0]=3 10040 B13R0.274 CCCCOCNC(C)CC(=O)OC 38fdbc0861b12e34668be1d730a420f4 [0,2,0,0,0,0|2,0,0]=4 10041 B13R0.274 CCCCOCN[C@@H](C)CC(=O)OC f6aa9d7d0b6060af2e14e78000367b0a [0,2,0,0,0,0|2,0,0]=4 10042 B13R0.274 CCCCOCN[C@H](C)CC(=O)OC 3e54ca3bd6e7ca1a33b91d4d44f29ccc [0,2,0,0,0,0|2,0,0]=4 10043 B13R0.274 CCCOCCCN(C)CC(=O)OC 8974dfb5e1f23491f6da6c6f13d9d53d [0,2,0,0,0,0|2,0,0]=4 10044 B13R0.274 CCCOCCNC(C)CC(=O)OC 67e6009188b3323a308e0ce77e6def48 [0,2,0,0,0,0|2,0,0]=4 10045 B13R0.274 CCCOCCN[C@@H](C)CC(=O)OC dc7f8c144260e143178dc9e7d525b2c6 [0,2,0,0,0,0|2,0,0]=4 10046 B13R0.274 CCCOCCN[C@H](C)CC(=O)OC 298fceab64770c55e3e4554a4f438eed [0,2,0,0,0,0|2,0,0]=4 10047 B13R0.274 CCCOCCOC(C)CC(=O)OC b36aed1cdf5228877d5e3c6baadfddee [0,2,0,0,0,0|2,0,0]=4 10048 B13R0.274 CCCOCCO[C@@H](C)CC(=O)OC d0f4a66d3bb70e141826ad26382399e0 [0,2,0,0,0,0|2,0,0]=4 10049 B13R0.274 CCCOCCO[C@H](C)CC(=O)OC 10e5ad9d4755b8ad74ef0b97c458587c [0,2,0,0,0,0|2,0,0]=4 10050 B13R0.274 CCOCCCNC(C)CC(=O)OC 79ecc6be0adf474255e5fe02435bab38 [0,2,0,0,0,0|2,0,0]=4 10051 B13R0.274 CCOCCCN[C@@H](C)CC(=O)OC 3ee8b58feaff64d61bd76ba683db2e62 [0,2,0,0,0,0|2,0,0]=4 10052 B13R0.274 CCOCCCN[C@H](C)CC(=O)OC 41da1317121c952d6ae504bece033ad7 [0,2,0,0,0,0|2,0,0]=4 10053 B13R0.274 CCOCCCOC(C)CC(=O)OC 539a418ebb8051aaacc5341c653b667c [0,2,0,0,0,0|2,0,0]=4 10054 B13R0.274 CCOCCCO[C@@H](C)CC(=O)OC 6a7a9acc5ed46d4b755a4c1dabbaf25e [0,2,0,0,0,0|2,0,0]=4 10055 B13R0.274 CCOCCCO[C@H](C)CC(=O)OC 8b99decd9b1063f5b03baee7f2cd5b3b [0,2,0,0,0,0|2,0,0]=4 10056 B13R0.274 CCOCCNCC(C)CC(=O)OC bf94822ff22e53cbf4f17f71107baf22 [0,2,0,0,0,0|2,0,0]=4 10057 B13R0.274 CCOCCNCC(O)CC(=O)OC d0ecf636d59c67344463347d5bce7490 [0,2,0,0,0,0|2,0,0]=4 10058 B13R0.274 CCOCCNC[C@@H](O)CC(=O)OC cff7f4997971ed3d3bf0ee071827039c [0,2,0,0,0,0|2,0,0]=4 10059 B13R0.274 CCOCCNC[C@H](O)CC(=O)OC 2efd3f3206941fa7b26ef3e207548754 [0,2,0,0,0,0|2,0,0]=4 10060 B13R0.274 CCOCCOCC(C)CC(=O)OC e9df6fcc4d00c8f2d8c1f7f2b70fdc74 [0,2,0,0,0,0|2,0,0]=4 10061 B13R0.274 CCSCCCNC(C)CC(=O)OC ebb631370adb14cd1d5e2265b88e3336 [0,2,0,0,0,0|2,0,0]=4 10062 B13R0.274 CCSCCCN[C@@H](C)CC(=O)OC 36228d73ac37c335d8b0cb60c0700528 [0,2,0,0,0,0|2,0,0]=4 10063 B13R0.274 CCSCCCN[C@H](C)CC(=O)OC 4d899e7dfd51d738412c169d22bdc27b [0,2,0,0,0,0|2,0,0]=4 10064 B13R0.274 CCSCCCOC(C)CC(=O)OC 158c856d3f7afe9b2541dc8b2147e7ea [0,2,0,0,0,0|2,0,0]=4 10065 B13R0.274 CCSCCCO[C@@H](C)CC(=O)OC e4bb9e72581d09eeca8d9509e08b2cc3 [0,2,0,0,0,0|2,0,0]=4 10066 B13R0.274 CCSCCCO[C@H](C)CC(=O)OC e78c86c1f6b3fc797aa31411d6b09d4d [0,2,0,0,0,0|2,0,0]=4 10067 B13R0.274 CCSCCNCC(C)CC(=O)OC 37f7fcb6c0ee4e60825b9690e213708c [0,2,0,0,0,0|2,0,0]=4 10068 B13R0.274 CCSCCNCC(O)CC(=O)OC 163eb6108fd84f10a99e321624c776de [0,2,0,0,0,0|2,0,0]=4 10069 B13R0.274 CCSCCNC[C@@H](O)CC(=O)OC 7796a3c5159a308cc710827ddd77ee6c [0,2,0,0,0,0|2,0,0]=4 10070 B13R0.274 CCSCCNC[C@H](O)CC(=O)OC 60919fd2b0e5a853682ab9bc040ad416 [0,2,0,0,0,0|2,0,0]=4 10071 B13R0.274 CCSCCOCC(C)CC(=O)OC 7e3a0c43398a3a2638a50f1f8c5838e9 [0,2,0,0,0,0|2,0,0]=4 10072 B13R0.274 CN(CCCCCCO)CC(=O)CO f7b56626e878781912da8e4fd9739f60 [0,2,0,0,0,0|2,0,0]=4 10073 B13R0.274 COC(=O)CC(C)CNCCCCCl 57e994dec0c737dbe0c574af8abfe6ac [0,2,0,0,0,0|2,0,0]=4 10074 B13R0.274 COC(=O)CC(C)CNCCCCO 962378bb44dc39504e0e4c0524def420 [0,2,0,0,0,0|2,0,0]=4 10075 B13R0.274 COC(=O)CC(C)CNCCCCS 158a1c9bf05da2050e64831f37e0afa3 [0,2,0,0,0,0|2,0,0]=4 10076 B13R0.274 COC(=O)CC(C)CNCCCSC 652c517a035585ad74212ddfe2129eae [0,2,0,0,0,0|2,0,0]=4 10077 B13R0.274 COC(=O)CC(C)COCCCCF b05b363570f93a8cdf4086d1e18de5d4 [0,2,0,0,0,0|2,0,0]=4 10078 B13R0.274 COC(=O)CC(C)COCCCCS 122b29f080a97a5495766e12191ac7d2 [0,2,0,0,0,0|2,0,0]=4 10079 B13R0.274 COC(=O)CC(C)COCCCSC f86d67a3546dd0cf7c3298a0fd5fd14a [0,2,0,0,0,0|2,0,0]=4 10080 B13R0.274 COC(=O)CC(C)NCCCCCCl 1ceb95b6436e6ece40e8088e7de6b61d [0,2,0,0,0,0|2,0,0]=4 10081 B13R0.274 COC(=O)CC(C)NCCCCCF 754f7a49324b0b7bf535ab381745cc0e [0,2,0,0,0,0|2,0,0]=4 10082 B13R0.274 COC(=O)CC(C)NCCCCCO de65ec8982ab9e4bcc52eabd5b1a0d22 [0,2,0,0,0,0|2,0,0]=4 10083 B13R0.274 COC(=O)CC(C)NCCCCSC 70abedb5e823695d97b773a680bdc577 [0,2,0,0,0,0|2,0,0]=4 10084 B13R0.274 COC(=O)CC(C)OCCCCCF f49d2eea523495734b365a0960ec73c2 [0,2,0,0,0,0|2,0,0]=4 10085 B13R0.274 COC(=O)CC(C)OCCCCSC 47f5ee98479b9098200165a040128a00 [0,2,0,0,0,0|2,0,0]=4 10086 B13R0.274 COC(=O)CC(O)CNCCCCCl a6ce4c65c0e50bfef9a8e46be7275172 [0,2,0,0,0,0|2,0,0]=4 10087 B13R0.274 COC(=O)CC(O)CNCCCCO f347316495d47fbc1d98906eac19ec82 [0,2,0,0,0,0|2,0,0]=4 10088 B13R0.274 COC(=O)CC(O)CNCCCCS 5e7595c2dc39fcc11e96a843e019e1b1 [0,2,0,0,0,0|2,0,0]=4 10089 B13R0.274 COC(=O)CC(O)CNCCCSC 480fdf94f98cc9e34df61a1d94cb6355 [0,2,0,0,0,0|2,0,0]=4 10090 B13R0.274 COC(=O)CN(C)CCCCCCF 66c012af046a85663c5143362af12cd8 [0,2,0,0,0,0|2,0,0]=4 10091 B13R0.274 COC(=O)CN(C)CCCCCCO 5e357df4676cb1171d6e20ac2282fc0f [0,2,0,0,0,0|2,0,0]=4 10092 B13R0.274 COC(=O)C[C@@H](C)NCCCCCF 48edbc60c746faa7a180a8ed543cd8df [0,2,0,0,0,0|2,0,0]=4 10093 B13R0.274 COC(=O)C[C@@H](C)NCCCCCO def0716fa41fc1a561dd910a6d7c4dfb [0,2,0,0,0,0|2,0,0]=4 10094 B13R0.274 COC(=O)C[C@@H](C)OCCCCCF f75a4c0a72b1845b30c446bfd7f295cc [0,2,0,0,0,0|2,0,0]=4 10095 B13R0.274 COC(=O)C[C@@H](O)CNCCCCCl 34dff629a7aef4df655c35e711819c8f [0,2,0,0,0,0|2,0,0]=4 10096 B13R0.274 COC(=O)C[C@@H](O)CNCCCCO ea004ebe1fade18748a8495f3327d87c [0,2,0,0,0,0|2,0,0]=4 10097 B13R0.274 COC(=O)C[C@@H](O)CNCCCCS 60e970504847fd97ee9b65662861676c [0,2,0,0,0,0|2,0,0]=4 10098 B13R0.274 COC(=O)C[C@@H](O)CNCCCSC e8b7f69725ffd79fc0893c42e4f034b0 [0,2,0,0,0,0|2,0,0]=4 10099 B13R0.274 COC(=O)C[C@H](C)CCNCCCCl 6f1f5d99dcbf475c8ef7ea66dc09c194 [0,2,0,0,0,0|2,0,0]=4 10100 B13R0.274 COC(=O)C[C@H](C)CCNCCCO 2d18297b38fb7aa13a0952772ae7f48e [0,2,0,0,0,0|2,0,0]=4 10101 B13R0.274 COC(=O)C[C@H](C)CCNCCSC d2b7d16cf6d94b7dc9bbca6abea733d4 [0,2,0,0,0,0|2,0,0]=4 10102 B13R0.274 COC(=O)C[C@H](C)CCOCCCF 22474e78a8500417c431e5ee511aee51 [0,2,0,0,0,0|2,0,0]=4 10103 B13R0.274 COC(=O)C[C@H](C)CCOCCCS 2cf79289965485610325011c38019534 [0,2,0,0,0,0|2,0,0]=4 10104 B13R0.274 COC(=O)C[C@H](C)CCOCCSC 3efa3a7a8d4792c947f02caef28223ec [0,2,0,0,0,0|2,0,0]=4 10105 B13R0.274 COC(=O)C[C@H](C)NCCCCCCl 450354b31eaad1df34cea69ac2dfb543 [0,2,0,0,0,0|2,0,0]=4 10106 B13R0.274 COC(=O)C[C@H](C)NCCCCCF 62d3b660b847bfe659333316c0633403 [0,2,0,0,0,0|2,0,0]=4 10107 B13R0.274 COC(=O)C[C@H](C)NCCCCCO bbda2ea4f3588f353c7e618372ad63fa [0,2,0,0,0,0|2,0,0]=4 10108 B13R0.274 COC(=O)C[C@H](C)NCCCCSC f593e3f8d4b6aaead4be4b5da624ca5e [0,2,0,0,0,0|2,0,0]=4 10109 B13R0.274 COC(=O)C[C@H](C)OCCCCCF b2d551e794e0adc8d46cd3b862a5f7b6 [0,2,0,0,0,0|2,0,0]=4 10110 B13R0.274 COC(=O)C[C@H](C)OCCCCSC 5af27738c5d0ef9a758759ddba1dfd74 [0,2,0,0,0,0|2,0,0]=4 10111 B13R0.274 COC(=O)C[C@H](O)CNCCCCCl 248002b6d7930329159dc0080602b02a [0,2,0,0,0,0|2,0,0]=4 10112 B13R0.274 COC(=O)C[C@H](O)CNCCCCO 537d992a873d1ee926413412a34a85d3 [0,2,0,0,0,0|2,0,0]=4 10113 B13R0.274 COC(=O)C[C@H](O)CNCCCCS 56f9f929e9bce0fdb244822db14076db [0,2,0,0,0,0|2,0,0]=4 10114 B13R0.274 COC(=O)C[C@H](O)CNCCCSC 8b7aa0842ef0e747654738e439d4d611 [0,2,0,0,0,0|2,0,0]=4 10115 B13R0.274 COCCCCCN(C)CC(=O)OC b724925844687427cc6d4a438bdc79b3 [0,2,0,0,0,0|2,0,0]=4 10116 B13R0.274 COCCCCNC(C)CC(=O)OC a59724e79b0707e7ce78d45134c96b7d [0,2,0,0,0,0|2,0,0]=4 10117 B13R0.274 COCCCCN[C@@H](C)CC(=O)OC ac413ebf001a8b02e6b666d1668c51d9 [0,2,0,0,0,0|2,0,0]=4 10118 B13R0.274 COCCCCN[C@H](C)CC(=O)OC f24abb5b4a695d70cfbe9bbacc9fa9d8 [0,2,0,0,0,0|2,0,0]=4 10119 B13R0.274 COCCCCOC(C)CC(=O)OC ffd52774bf911d0d13decf13ce4aeaed [0,2,0,0,0,0|2,0,0]=4 10120 B13R0.274 COCCCCO[C@@H](C)CC(=O)OC 323b14cff06ed0d79890d0fd498711f7 [0,2,0,0,0,0|2,0,0]=4 10121 B13R0.274 COCCCCO[C@H](C)CC(=O)OC 79cd1a87184716c62b4331cdb632194e [0,2,0,0,0,0|2,0,0]=4 10122 B13R0.274 COCCCNCC(C)CC(=O)OC 5f39f1fea30818eb0760e054fbd72a59 [0,2,0,0,0,0|2,0,0]=4 10123 B13R0.274 COCCCNCC(O)CC(=O)OC b5a181901ed1d580613d48a2bb6f2d98 [0,2,0,0,0,0|2,0,0]=4 10124 B13R0.274 COCCCNC[C@@H](O)CC(=O)OC 3e30be5f57243ed4aead792d1342ea5a [0,2,0,0,0,0|2,0,0]=4 10125 B13R0.274 COCCCNC[C@H](O)CC(=O)OC d459d19a2bcfabe03c1aff90b28ab23f [0,2,0,0,0,0|2,0,0]=4 10126 B13R0.274 COCCCOCC(C)CC(=O)OC 8e9b4d3a9223b5da313022ae974120b4 [0,2,0,0,0,0|2,0,0]=4 10127 B13R0.274 COCCNCC[C@@H](C)CC(=O)OC 912d258ec80f768798a2f755c184c539 [0,2,0,0,0,0|2,0,0]=4 10128 B13R0.274 COCCOCC[C@@H](C)CC(=O)OC 9220dcc28a66a378636be571ecf8e70e [0,2,0,0,0,0|2,0,0]=4 10129 B13R0.332 CC(CCNC(C)CCO)CC(=O)O 3761195e96d7c823d7be1800ce5c0103 [0,2,0,0,0,0|2,0,0]=4 10130 B13R0.332 CC(CCN[C@@H](C)CCO)CC(=O)O 1bcfa74a53109fadec2623338f1eb092 [0,2,0,0,0,0|2,0,0]=4 10131 B13R0.332 CC(CCN[C@H](C)CCO)CC(=O)O 35231bd77e4a0903d83eb9816a1fafa8 [0,2,0,0,0,0|2,0,0]=4 10132 B13R0.332 CCCC(=O)CNCC(O)CC(=O)O f3050e7fe769570792cd9c851f6b23e2 [0,2,0,0,0,0|1,0,1]=4 10133 B13R0.332 CCCC(=O)CNC[C@@H](O)CC(=O)O 027bed76f644e47070b076afe97bd08d [0,2,0,0,0,0|1,0,1]=4 10134 B13R0.332 CCCC(=O)CNC[C@H](O)CC(=O)O e18d773ad4620707d1262ee0d2214c6d [0,2,0,0,0,0|1,0,1]=4 10135 B13R0.332 CCCC(=S)OCCC(C)CC(=O)O 3bd9b16e58daaca2a5af9214428ab71c [0,2,0,0,0,0|1,0,1]=4 10136 B13R0.332 CCCC(C)CCOC(C)CC(=O)O e9240ea32e725870688753d624ba4646 [0,2,0,0,0,0|1,0,0]=3 10137 B13R0.332 CCCC(C)CNCC(O)CC(=O)O 6d65af301d5a28ad265648cfe47dcb62 [0,2,0,0,0,0|1,0,0]=3 10138 B13R0.332 CCCC(C)CNC[C@@H](O)CC(=O)O 56166bddc64a9f0d29d824a7363c97d0 [0,2,0,0,0,0|1,0,0]=3 10139 B13R0.332 CCCC(C)CNC[C@H](O)CC(=O)O c0987cf91bbf6fcbdaeda9f39d9c287b [0,2,0,0,0,0|1,0,0]=3 10140 B13R0.332 CCCC(C)COCC(=O)CC(=O)O 366d7a49b039f8439da81ed34c6c92b1 [0,2,0,0,0,0|1,0,1]=4 10141 B13R0.332 CCCC(C)NCCC(C)CC(=O)O 549cb6f9b4386d30f190bcdd2b018514 [0,2,0,0,0,0|1,0,0]=3 10142 B13R0.332 CCCC(C)OCCC(C)CC(=O)O 27e0b6456ffbfe3011cf5cd0db58ecc2 [0,2,0,0,0,0|1,0,0]=3 10143 B13R0.332 CCCC(O)CNCC(=O)CC(=O)O 601653cf18e6e614d90d22f23604c484 [0,2,0,0,0,0|1,0,1]=4 10144 B13R0.332 CCCC(S)CCOC(C)CC(=O)O 20d21b77379e54d41fce2a79f7811719 [0,2,0,0,0,0|1,0,0]=3 10145 B13R0.332 CCC[C@@H](C)OCCC(C)CC(=O)O 85fa1cf0337c859fe778580317b6d317 [0,2,0,0,0,0|1,0,0]=3 10146 B13R0.332 CCC[C@H](C)NCCC(C)CC(=O)O 94a6c07befd48bbf77865e996540b0fe [0,2,0,0,0,0|1,0,0]=3 10147 B13R0.332 CCC[C@H](C)OCCC(C)CC(=O)O e68c4cc2115c657bf1221a6732eb024b [0,2,0,0,0,0|1,0,0]=3 10148 B13R0.332 COCC(C)NCCC(C)CC(=O)O 87b0d79d176a44fee78d39cedbb252e8 [0,2,0,0,0,0|2,0,0]=4 10149 B13R0.332 COCC(C)OCCC(C)CC(=O)O 0db310b6feca21d1b6e7ef07d6a355e4 [0,2,0,0,0,0|2,0,0]=4 10150 B13R0.332 COCC(O)CNCC(O)CC(=O)O 6592a2329aa84dd1daecf01d8dae2a8e [0,2,0,0,0,0|2,0,0]=4 10151 B13R0.332 COCC(O)CNC[C@@H](O)CC(=O)O a6d8533c12855538261955e62c502297 [0,2,0,0,0,0|2,0,0]=4 10152 B13R0.332 COCC(O)CNC[C@H](O)CC(=O)O 1daf8a1cb7e3a5b5755c467887467a06 [0,2,0,0,0,0|2,0,0]=4 10153 B13R0.332 COC[C@@H](C)NCCC(C)CC(=O)O a6d28a0b43387f7d351446caec21539e [0,2,0,0,0,0|2,0,0]=4 10154 B13R0.332 COC[C@@H](C)OCCC(C)CC(=O)O ab6c8d93e698b540aee9c785a16dc3f7 [0,2,0,0,0,0|2,0,0]=4 10155 B13R0.332 COC[C@H](C)NCCC(C)CC(=O)O a7948e7745a7b75929803c637b11cd59 [0,2,0,0,0,0|2,0,0]=4 10156 B13R0.332 COC[C@H](C)OCCC(C)CC(=O)O e918befd075438f57f2c16f0e6c5c26a [0,2,0,0,0,0|2,0,0]=4 10157 B13R0.332 CSCC(C)OCCC(C)CC(=O)O dbc20eb2e3415fcf54ed44be1f49ed0e [0,2,0,0,0,0|2,0,0]=4 10158 B13R0.332 O=C(O)CC(O)CNC[C@@H](O)CCO cd6845417f7417b32a4182d33c756082 [0,2,0,0,0,0|2,0,0]=4 10159 B13R0.332 O=C(O)C[C@@H](O)CNC[C@@H](O)CCO 5d5956fa29f2e0233ab6423deb8a38a2 [0,2,0,0,0,0|2,0,0]=4 10160 B13R0.332 O=C(O)C[C@H](O)CNC[C@@H](O)CCO 5e2cb61d69a209ce4058a28ba4a90e34 [0,2,0,0,0,0|2,0,0]=4 10161 B13R0.333 CCCCCC(=O)CN(C)CC(=O)O 216566c313ca94361ec76cff9eed41e3 [0,2,0,0,0,0|1,0,1]=4 10162 B13R0.333 CCCCCC(C)NC(C)CC(=O)O fdea37ace2f3df152e051122e9f78966 [0,2,0,0,0,0|1,0,0]=3 10163 B13R0.333 CCCCCC(C)OC(C)CC(=O)N b6ff597402f8aaf70365793f1cfcbdcb [0,2,0,0,0,0|2,0,0]=4 10164 B13R0.333 CCCCCC(C)OC(C)CC(=O)O eda6c7e8181af8407e352999bee8fa94 [0,2,0,0,0,0|1,0,0]=3 10165 B13R0.333 CCCCCN(C)CC(=O)CC(=O)O dcdf00e5e05378665a931bdcf9aebd4b [0,2,0,0,0,0|1,0,1]=4 10166 B13R0.333 CCCCC[C@@H](C)OC(C)CC(=O)O f9438161d33721cadf417fb70d8a2b38 [0,2,0,0,0,0|1,0,0]=3 10167 B13R0.333 CCCCC[C@H](C)NC(C)CC(=O)O 991fec85375db3c59dd7ce520300f293 [0,2,0,0,0,0|1,0,0]=3 10168 B13R0.333 CCCCC[C@H](C)OC(C)CC(=O)N 74ae9a6dfebcf6afb369ddf005525f35 [0,2,0,0,0,0|2,0,0]=4 10169 B13R0.333 CCCCC[C@H](C)OC(C)CC(=O)O 12aee7534d58f3b12575044dbed19a5f [0,2,0,0,0,0|1,0,0]=3 10170 B13R0.335 C#CCCCCCCN(C)CC(=O)O bb854ded003d453a651b1f8af090bf89 [0,2,0,0,0,0|0,0,2]=4 10171 B13R0.335 C#CCCCCCNC(C)CC(=O)O 3def1b66200c3d86564462a85249229c [0,2,0,0,0,0|0,0,2]=4 10172 B13R0.335 C#CCCCCCN[C@@H](C)CC(=O)O dc4bdb4d00030c58e35d80cd65c6534d [0,2,0,0,0,0|0,0,2]=4 10173 B13R0.335 C#CCCCCCN[C@H](C)CC(=O)O 3087991f9b93c25c096b1df84055c56d [0,2,0,0,0,0|0,0,2]=4 10174 B13R0.335 C#CCCCCCOC(C)CC(=O)O 5cc1f989310bb807b3009a6671faea72 [0,2,0,0,0,0|0,0,2]=4 10175 B13R0.335 C#CCCCCCO[C@@H](C)CC(=O)O 09d9a0761e0046c380c598fd40fc80d0 [0,2,0,0,0,0|0,0,2]=4 10176 B13R0.335 C#CCCCCCO[C@H](C)CC(=O)O 3aa3a16424e976599ec6ee7a3ea4477b [0,2,0,0,0,0|0,0,2]=4 10177 B13R0.335 C#CCCCCNCC(O)CC(=O)O 407ccccaed9ff0a2628c59a6a828a2c7 [0,2,0,0,0,0|0,0,2]=4 10178 B13R0.335 C#CCCCCNC[C@@H](O)CC(=O)O 8df87b95884ee6c01fc8df50be2b1a50 [0,2,0,0,0,0|0,0,2]=4 10179 B13R0.335 C#CCCCCNC[C@H](O)CC(=O)O f7bc357c564eb27693a581d3a503e4e2 [0,2,0,0,0,0|0,0,2]=4 10180 B13R0.335 C#CCCCNCCC(C)CC(=O)O d89e909bddde18ad049e9850391c6763 [0,2,0,0,0,0|0,0,2]=4 10181 B13R0.335 C#CCCCOCCC(C)CC(=O)O 2e22cdd8816036b50ea34f5bcf0f30fb [0,2,0,0,0,0|0,0,2]=4 10182 B13R0.335 C/C=C/CCOCCC(C)CC(=O)O 878dbbf21e1d3f4378001cf57b82ee2b [0,2,0,0,0,0|0,0,2]=4 10183 B13R0.335 C/C=C\CCCNCC(O)CC(=O)O 58e998fb2abf6369ee4731fe0b133525 [0,2,0,0,0,0|0,0,2]=4 10184 B13R0.335 C/C=C\CCCNC[C@@H](O)CC(=O)O 7c7a26bb95ac6e2dc36daeee911ba28f [0,2,0,0,0,0|0,0,2]=4 10185 B13R0.335 C/C=C\CCCNC[C@H](O)CC(=O)O 02771f83c467b936bd11c8b84fa05ec9 [0,2,0,0,0,0|0,0,2]=4 10186 B13R0.335 C=C(Br)CN(C)CCCCCCCC 6dab2dd9d1116f9b44bae577cc4384fb [0,2,0,0,0,0|2,0,0]=4 10187 B13R0.335 C=C(C)CN(C)CCCCCCCC 2653d116112eca7e59032628642d2bf3 [0,2,0,0,0,0|2,0,0]=4 10188 B13R0.335 C=C(Cl)CN(C)CCCCCCCC d20efda35a228780f496bedeef07dfc0 [0,2,0,0,0,0|2,0,0]=4 10189 B13R0.335 C=CCCCCCCN(C)CC(=O)O d5a5dd4e54672039349b9ad81444b638 [0,2,0,0,0,0|0,0,2]=4 10190 B13R0.335 C=CCCCCCNC(C)CC(=O)O 454421224276ed8b2b562451120203ee [0,2,0,0,0,0|0,0,2]=4 10191 B13R0.335 C=CCCCCCN[C@@H](C)CC(=O)O da04110e3fa2940436dd19da825e3a57 [0,2,0,0,0,0|0,0,2]=4 10192 B13R0.335 C=CCCCCCN[C@H](C)CC(=O)O 3f7840d69f70bdb124c81e9f90982048 [0,2,0,0,0,0|0,0,2]=4 10193 B13R0.335 C=CCCCCCOC(C)CC(=O)O c082983c0daa718f729699494c92f063 [0,2,0,0,0,0|0,0,2]=4 10194 B13R0.335 C=CCCCCCO[C@@H](C)CC(=O)O 4e00f4fc45d0b04d7b138d6ab80a8693 [0,2,0,0,0,0|0,0,2]=4 10195 B13R0.335 C=CCCCCCO[C@H](C)CC(=O)O 0a91e36ac7e07be35efef92a02762659 [0,2,0,0,0,0|0,0,2]=4 10196 B13R0.335 C=CCCCCNCC(O)CC(=O)O cb17d4a40689d23abfc6f79d92cfd91f [0,2,0,0,0,0|0,0,2]=4 10197 B13R0.335 C=CCCCCNC[C@@H](O)CC(=O)O 7fe0f9685f49b6635a86c587b729fc2e [0,2,0,0,0,0|0,0,2]=4 10198 B13R0.335 C=CCCCCNC[C@H](O)CC(=O)O 2e81d7a4b50c292bb4012ef343246285 [0,2,0,0,0,0|0,0,2]=4 10199 B13R0.335 C=CCCCNCCC(C)CC(=O)O dd2dc969387ba12293e1419914270879 [0,2,0,0,0,0|0,0,2]=4 10200 B13R0.335 C=CCCCOCCC(C)CC(=O)O f79693daa2814019ad35eeb587eb166d [0,2,0,0,0,0|0,0,2]=4 10201 B13R0.335 CC#CCCOCCC(C)CC(=O)O ff7263ea48274bb8a1ba1b0d8abc8096 [0,2,0,0,0,0|0,0,2]=4 10202 B13R0.335 CC(CC(=O)N)OCCCCCCF 5121606da9df35057fcbdf80abdf0131 [0,2,0,0,0,0|2,0,0]=4 10203 B13R0.335 CC(CC(=O)O)NCCCCCC#N ea2755156e56fbb773867113d72bf434 [0,2,0,0,0,0|1,0,1]=4 10204 B13R0.335 CC(CC(=O)O)NCCCCCC=O ab6cac3e45776ad0c6603dc0cda246fa [0,2,0,0,0,0|1,0,1]=4 10205 B13R0.335 CC(CC(=O)O)NCCCCCCCl d2e2a3c3d0c93979ad199ca18dc4433c [0,2,0,0,0,0|1,0,0]=3 10206 B13R0.335 CC(CC(=O)O)NCCCCCCF d12b0a5b382edab3755fae22131251a1 [0,2,0,0,0,0|1,0,0]=3 10207 B13R0.335 CC(CC(=O)O)NCCCCCCO 9de2af404b07665295ae8c3ed2cf18b7 [0,2,0,0,0,0|1,0,0]=3 10208 B13R0.335 CC(CC(=O)O)NCCCOCCO e9c13f3c0475e8f2e49a8b7607167de5 [0,2,0,0,0,0|2,0,0]=4 10209 B13R0.335 CC(CC(=O)O)NCCOCCCO a73199ce6e32f4ddde0384e9e51b5617 [0,2,0,0,0,0|2,0,0]=4 10210 B13R0.335 CC(CC(=O)O)OCCCCCC#N b3b1992e55772bd8c6bba4eb855cb925 [0,2,0,0,0,0|1,0,1]=4 10211 B13R0.335 CC(CC(=O)O)OCCCCCC=O 53c548931c4d1f372a640491c2666bff [0,2,0,0,0,0|1,0,1]=4 10212 B13R0.335 CC(CC(=O)O)OCCCCCCF 3f6f94d084ad51e5bf07822efe9e71bb [0,2,0,0,0,0|1,0,0]=3 10213 B13R0.335 CC(CCNCCCC#N)CC(=O)O 119cdc5f0d5cb44c0885849b75066799 [0,2,0,0,0,0|1,0,1]=4 10214 B13R0.335 CC(CCNCCCCCl)CC(=O)O af63f364344e2fbb4550b139f93e4de7 [0,2,0,0,0,0|1,0,0]=3 10215 B13R0.335 CC(CCNCCCCO)CC(=O)O dd023bb03765cb3195b442a8adfef7a3 [0,2,0,0,0,0|1,0,0]=3 10216 B13R0.335 CC(CCNCCCCS)CC(=O)O 20abfd09b0315246eee725f87f36b0f1 [0,2,0,0,0,0|1,0,0]=3 10217 B13R0.335 CC(CCOCCCC#N)CC(=O)O 60abedfc7672450065e23d874d644e44 [0,2,0,0,0,0|1,0,1]=4 10218 B13R0.335 CC(CCOCCCC=O)CC(=O)O 1b2ef5a81ab5aadd2fe4e725c89b7247 [0,2,0,0,0,0|1,0,1]=4 10219 B13R0.335 CC(CCOCCCCF)CC(=O)O 1f354d7c98d0a996f9349e3789f7fa42 [0,2,0,0,0,0|1,0,0]=3 10220 B13R0.335 CC(CCOCCCCS)CC(=O)O ee5e1c280da0c07fa43f3b0e39fdf369 [0,2,0,0,0,0|1,0,0]=3 10221 B13R0.335 CC/C=C/COCCC(C)CC(=O)O 77ff31a81147d1d39a75814384009537 [0,2,0,0,0,0|0,0,2]=4 10222 B13R0.335 CC/C=C\CCCOC(C)CC(=O)O 93fba298a6c942c126b53b2fb1ce4f31 [0,2,0,0,0,0|0,0,2]=4 10223 B13R0.335 CC/C=C\CCNCC(O)CC(=O)O 8d55fbfdb75f85d8b027c387158805e9 [0,2,0,0,0,0|0,0,2]=4 10224 B13R0.335 CC/C=C\CCNC[C@@H](O)CC(=O)O 35902be9ee23f849a2ed033a3a8a59ed [0,2,0,0,0,0|0,0,2]=4 10225 B13R0.335 CC/C=C\CCNC[C@H](O)CC(=O)O 0348503af455261ca61ee561c2490072 [0,2,0,0,0,0|0,0,2]=4 10226 B13R0.335 CC/C=C\COCCC(C)CC(=O)O c6c4925140132ab0eb93d6f3bc61a633 [0,2,0,0,0,0|0,0,2]=4 10227 B13R0.335 CCC#CCOCCC(C)CC(=O)O b9e649f9016bbfab5c7394ef8bd7cb50 [0,2,0,0,0,0|0,0,2]=4 10228 B13R0.335 CCC/C=C/CNCC(O)CC(=O)O 975bb9fe4bc47d84c68454d04270df9d [0,2,0,0,0,0|0,0,2]=4 10229 B13R0.335 CCC/C=C/CNC[C@@H](O)CC(=O)O df639b73f1483310239a45e35e03c8d0 [0,2,0,0,0,0|0,0,2]=4 10230 B13R0.335 CCC/C=C/CNC[C@H](O)CC(=O)O 2ddbaaa5d4d813d2454e6484e5514928 [0,2,0,0,0,0|0,0,2]=4 10231 B13R0.335 CCC/C=C\CCOC(C)CC(=O)O 1db69793f3ec3abbb4fb2cb57f05af38 [0,2,0,0,0,0|0,0,2]=4 10232 B13R0.335 CCC/C=C\CNCC(O)CC(=O)O 93333314fedce39448504cfafdf88b5e [0,2,0,0,0,0|0,0,2]=4 10233 B13R0.335 CCC/C=C\CNC[C@@H](O)CC(=O)O 905dd51a266c5294fc96c0dbdb07e77e [0,2,0,0,0,0|0,0,2]=4 10234 B13R0.335 CCC/C=C\CNC[C@H](O)CC(=O)O d7254848ac1f043e822bcc4f771a2623 [0,2,0,0,0,0|0,0,2]=4 10235 B13R0.335 CCCC#CCCOC(C)CC(=O)O 35ac19f3bfb6466445120637f48ad64a [0,2,0,0,0,0|0,0,2]=4 10236 B13R0.335 CCCC/C=C/CNC(C)CC(=O)O 2fff60fd2a12fd854b34cc66ffc28049 [0,2,0,0,0,0|0,0,2]=4 10237 B13R0.335 CCCC/C=C/CN[C@@H](C)CC(=O)O 99997fff41f1ea048e98168e4294833c [0,2,0,0,0,0|0,0,2]=4 10238 B13R0.335 CCCC/C=C/CN[C@H](C)CC(=O)O 40afa9aef5c1d9147fe7d80be01c333d [0,2,0,0,0,0|0,0,2]=4 10239 B13R0.335 CCCC/C=C/COC(C)CC(=O)O 727f62a37e3929d0fc14a426c2d33fcf [0,2,0,0,0,0|0,0,2]=4 10240 B13R0.335 CCCC/C=C/CO[C@@H](C)CC(=O)O f9b766123615e6b88e88b67b9aeb9310 [0,2,0,0,0,0|0,0,2]=4 10241 B13R0.335 CCCC/C=C/CO[C@H](C)CC(=O)O 8a5a40e024d9e13683836bc96f248852 [0,2,0,0,0,0|0,0,2]=4 10242 B13R0.335 CCCC/C=C\CNC(C)CC(=O)O 2a96d1270a18139ab1c1803b2009bc4b [0,2,0,0,0,0|0,0,2]=4 10243 B13R0.335 CCCC/C=C\CN[C@@H](C)CC(=O)O f6aae312d7d9ec99ad3bb4f16e1dc47a [0,2,0,0,0,0|0,0,2]=4 10244 B13R0.335 CCCC/C=C\CN[C@H](C)CC(=O)O 3c39c793bc650824e8a908b28c83ac2f [0,2,0,0,0,0|0,0,2]=4 10245 B13R0.335 CCCC/C=C\COC(C)CC(=O)O 851b87483c03632e736cb60e8be228cc [0,2,0,0,0,0|0,0,2]=4 10246 B13R0.335 CCCC/C=C\CO[C@@H](C)CC(=O)O 1f478c09d47e0609aebbc28b176016b3 [0,2,0,0,0,0|0,0,2]=4 10247 B13R0.335 CCCC/C=C\CO[C@H](C)CC(=O)O 1d78e3020dcedfb24e0121ba6b7d97ec [0,2,0,0,0,0|0,0,2]=4 10248 B13R0.335 CCCCCCCCC(C)NC(=O)C 329b53071b7bd75bff2f9d2678bdae11 [0,2,0,0,0,0|1,0,0]=3 10249 B13R0.335 CCCCCCCCN(C)CC(=O)N 7e99aaa21b545bf0031f84438d6ba96e [0,2,0,0,0,0|1,0,0]=3 10250 B13R0.335 CCCCCCCCN(C)CC(=O)O 2509cae4848afb8cc8fdf123eaa8b2ec [0,2,0,0,0,0|0,0,0]=2 10251 B13R0.335 CCCCCCCCN(C)CC(C)O 3e35fd517ad6104457c4e25e9653e832 [0,2,0,0,0,0|1,0,1]=4 10252 B13R0.335 CCCCCCCCN(C)C[C@@H](C)O 639b97e107ff18408fdb3f91493ff448 [0,2,0,0,0,0|1,0,1]=4 10253 B13R0.335 CCCCCCCCN(C)C[C@H](C)O 99c061e2cde8b53292b2fdca51eb4bc0 [0,2,0,0,0,0|1,0,1]=4 10254 B13R0.335 CCCCCCCCN(C)C[N+](=O)[O-] cd7a24435347eb79c1246c40fc75be5d [0,2,0,0,0,0|1,0,1]=4 10255 B13R0.335 CCCCCCCNC(=O)CC(=O)C 8b7697d5f6b1e52cb7ec0a4a7376a700 [0,2,0,0,0,0|1,0,1]=4 10256 B13R0.335 CCCCCCCNC(=O)CC(=O)N b5c18ebab97f0ed50544b9b0199cfb6b [0,2,0,0,0,0|1,0,1]=4 10257 B13R0.335 CCCCCCCNC(C)CC(=O)O b14f86f38320cfd6a27a70ecc828b328 [0,2,0,0,0,0|0,0,0]=2 10258 B13R0.335 CCCCCCCNC(C)CC(C)O 48d4b721ce66f4337dd5214af74624ce [0,2,0,0,0,0|1,0,1]=4 10259 B13R0.335 CCCCCCCNC(C)OC(=O)C 44faa22741664d3e5328631b1e03875c [0,2,0,0,0,0|2,0,0]=4 10260 B13R0.335 CCCCCCCN[C@@H](C)CC(=O)O 78ec7b16ffd03697bbf4e1dfd2517334 [0,2,0,0,0,0|0,0,0]=2 10261 B13R0.335 CCCCCCCN[C@H](C)CC(=O)O de678031e40027065fc300037f2163d3 [0,2,0,0,0,0|0,0,0]=2 10262 B13R0.335 CCCCCCCOC(C)CC(=O)N 98717ec63fdfeeca01a78522092e77bf [0,2,0,0,0,0|1,0,0]=3 10263 B13R0.335 CCCCCCCOC(C)CC(=O)O 896a0faad7673db8e793bbaca96e9a30 [0,2,0,0,0,0|0,0,0]=2 10264 B13R0.335 CCCCCCCOC(C)C[N+](=O)[O-] 4083ab879192284b4a1b0dad3b8fe871 [0,2,0,0,0,0|1,0,1]=4 10265 B13R0.335 CCCCCCCOC(C)OC(=O)C beb8803eae6151d8ab09191c502eecbd [0,2,0,0,0,0|2,0,0]=4 10266 B13R0.335 CCCCCCCO[C@@H](C)CC(=O)O 5d628766a2b37860feeb3d9f9441d028 [0,2,0,0,0,0|0,0,0]=2 10267 B13R0.335 CCCCCCCO[C@H](C)CC(=O)O 28335f982a345dc6cf4998321a8e3b28 [0,2,0,0,0,0|0,0,0]=2 10268 B13R0.335 CCCCCCNCC(=O)CC(=O)O c90845deae9fa20cc50b3d7b2aeb7069 [0,2,0,0,0,0|0,0,1]=3 10269 B13R0.335 CCCCCCNCC(O)CC(=O)O 1d0810503fa4f352f884ebc35c4d553a [0,2,0,0,0,0|0,0,0]=2 10270 B13R0.335 CCCCCCNC[C@@H](O)CC(=O)O e37747d748d2c2f8294493b265704a8a [0,2,0,0,0,0|0,0,0]=2 10271 B13R0.335 CCCCCCNC[C@H](O)CC(=O)O 5b8dc34dad5b0d42e516cebeaa364b02 [0,2,0,0,0,0|0,0,0]=2 10272 B13R0.335 CCCCCCOCC(=O)CC(=O)O 11123412d9ca152299a65858af04f91c [0,2,0,0,0,0|0,0,1]=3 10273 B13R0.335 CCCCCCOCC(C)NC(=O)C d398875c1c3ea87bb52d11109fd79d9f [0,2,0,0,0,0|2,0,0]=4 10274 B13R0.335 CCCCCCOC[C@@H](C)NC(=O)C 50f31782453c117b076cad9dbbc02390 [0,2,0,0,0,0|2,0,0]=4 10275 B13R0.335 CCCCCNCCC(C)CC(=O)O 7c6b067f3313121e17e3f0e5160bc55f [0,2,0,0,0,0|0,0,0]=2 10276 B13R0.335 CCCCCOCCC(C)CC(=O)O 13de2c50606febe249aea52e03e3fe18 [0,2,0,0,0,0|0,0,0]=2 10277 B13R0.335 CCCCCOCCN(C)CC(=O)C 6a0bfbee667c044441bc0a403adbbce4 [0,2,0,0,0,0|2,0,0]=4 10278 B13R0.335 CCCCCOCCN(C)CC(=O)O 2416cbd6386de0813e490dd7e0199c2b [0,2,0,0,0,0|1,0,0]=3 10279 B13R0.335 CCCCOCCNC(C)CC(=O)O a1060e0debc3359720b68b539ba106cb [0,2,0,0,0,0|1,0,0]=3 10280 B13R0.335 CCCCOCCN[C@@H](C)CC(=O)O 9e3ed320ac58e793a71a7cb596256ddd [0,2,0,0,0,0|1,0,0]=3 10281 B13R0.335 CCCCOCCN[C@H](C)CC(=O)O 6762f9380bcf941b1f70159fcc4ea4a3 [0,2,0,0,0,0|1,0,0]=3 10282 B13R0.335 CCCCOCCOC(C)CC(=O)N 8b716f449ac327e72bd8ff32b497d220 [0,2,0,0,0,0|2,0,0]=4 10283 B13R0.335 CCCCOCCOC(C)CC(=O)O 0d26bec313e3ab1b3fb228a89406eb9e [0,2,0,0,0,0|1,0,0]=3 10284 B13R0.335 CCCCOCCO[C@@H](C)CC(=O)O b1a7505139789e8d3b97f5a47a56216f [0,2,0,0,0,0|1,0,0]=3 10285 B13R0.335 CCCCOCCO[C@H](C)CC(=O)O e54d7a4962406019cf8834bb6625c67a [0,2,0,0,0,0|1,0,0]=3 10286 B13R0.335 CCCCOCNCC(O)CC(=O)O 6927cb2ebc07e5b246c72163e45a2c32 [0,2,0,0,0,0|1,0,0]=3 10287 B13R0.335 CCCCOCNC[C@@H](O)CC(=O)O 314034893f123285298f315ca2ec9669 [0,2,0,0,0,0|1,0,0]=3 10288 B13R0.335 CCCCOCNC[C@H](O)CC(=O)O 2a97fb8a4b16d99dc7108620ff35bd3c [0,2,0,0,0,0|1,0,0]=3 10289 B13R0.335 CCCOCCCNC(C)CC(=O)O 12864572d29511b7335a10375400d75e [0,2,0,0,0,0|1,0,0]=3 10290 B13R0.335 CCCOCCCN[C@@H](C)CC(=O)O 79df844f3b95b4f1f1a5f807f3370bfd [0,2,0,0,0,0|1,0,0]=3 10291 B13R0.335 CCCOCCCN[C@H](C)CC(=O)O 49744db1e8bc2347263deba148c66634 [0,2,0,0,0,0|1,0,0]=3 10292 B13R0.335 CCCOCCCOC(C)CC(=O)N 78c7fa213c48b90733889038019aa58a [0,2,0,0,0,0|2,0,0]=4 10293 B13R0.335 CCCOCCCOC(C)CC(=O)O cd4cfd4571d5601c2d654c2e3d38c07b [0,2,0,0,0,0|1,0,0]=3 10294 B13R0.335 CCCOCCCO[C@@H](C)CC(=O)O fd86113e94510f88f26ac8528107cd74 [0,2,0,0,0,0|1,0,0]=3 10295 B13R0.335 CCCOCCCO[C@H](C)CC(=O)O 01f1539697804c2b566c9e0250a05fc7 [0,2,0,0,0,0|1,0,0]=3 10296 B13R0.335 CCCOCCNCC(=O)CC(=O)O 8b2cf710d758addfe660324019286f43 [0,2,0,0,0,0|1,0,1]=4 10297 B13R0.335 CCCOCCNCC(O)CC(=O)O 72e156b15edc2274f33630fa6ade6459 [0,2,0,0,0,0|1,0,0]=3 10298 B13R0.335 CCCOCCNC[C@@H](O)CC(=O)O c6850e6c10f679c092388105bb5a099d [0,2,0,0,0,0|1,0,0]=3 10299 B13R0.335 CCCOCCNC[C@H](O)CC(=O)O 6abc2ce4c4b25113483c6639273bec2e [0,2,0,0,0,0|1,0,0]=3 10300 B13R0.335 CCCOCCOCC(=O)CC(=O)O 21f9bba9c50cae4ed347b94b8a22ec11 [0,2,0,0,0,0|1,0,1]=4 10301 B13R0.335 CCCSCCOCC(=O)CC(=O)O ec6334c9650e0ceeb0c26c554e0c0572 [0,2,0,0,0,0|1,0,1]=4 10302 B13R0.335 CCOCCCNCC(=O)CC(=O)O b20c27f24b751eae42ea84fcbd8506f9 [0,2,0,0,0,0|1,0,1]=4 10303 B13R0.335 CCOCCCNCC(O)CC(=O)O 428d895b714b79267204bb498e819194 [0,2,0,0,0,0|1,0,0]=3 10304 B13R0.335 CCOCCCNC[C@@H](O)CC(=O)O 2669a09ba0f43c5127e58b94de78489a [0,2,0,0,0,0|1,0,0]=3 10305 B13R0.335 CCOCCCNC[C@H](O)CC(=O)O 63756366361a60cfbbb55612f2be3e29 [0,2,0,0,0,0|1,0,0]=3 10306 B13R0.335 CCOCCCOCC(=O)CC(=O)O 79eb4ac24ec63fbea451d9471e006253 [0,2,0,0,0,0|1,0,1]=4 10307 B13R0.335 CCOCCNCCC(C)CC(=O)O c64dfd2ebdb84c32484caf5d6a7bdff9 [0,2,0,0,0,0|1,0,0]=3 10308 B13R0.335 CCOCCOCCC(C)CC(=O)O f2f2ca5669b08b2bccdd12549b149a06 [0,2,0,0,0,0|1,0,0]=3 10309 B13R0.335 CCOCCOCCN(C)CC(=O)O 74af7ae8cb0253895a227b7634cb0def [0,2,0,0,0,0|2,0,0]=4 10310 B13R0.335 CCSCCCCNC(C)CC(=O)O c7e2bf99fbda91d5bfeccde3fc28ccd8 [0,2,0,0,0,0|1,0,0]=3 10311 B13R0.335 CCSCCCNCC(O)CC(=O)O e90d7a9da9a7988e3a69d611217131a5 [0,2,0,0,0,0|1,0,0]=3 10312 B13R0.335 CCSCCCNC[C@@H](O)CC(=O)O af511c15a085665f73dcde20bd774f5c [0,2,0,0,0,0|1,0,0]=3 10313 B13R0.335 CCSCCCNC[C@H](O)CC(=O)O 452d9e89542eda872e4816d903cacf2a [0,2,0,0,0,0|1,0,0]=3 10314 B13R0.335 CCSCCCOCC(=O)CC(=O)O 41477596939182904ff04570ac5f4461 [0,2,0,0,0,0|1,0,1]=4 10315 B13R0.335 CCSCCNCCC(C)CC(=O)O 59933bff6828686f6bf2ffa72ae214c7 [0,2,0,0,0,0|1,0,0]=3 10316 B13R0.335 CCSCCOCCC(C)CC(=O)O efd08c7b02b904646c5d235c23521a78 [0,2,0,0,0,0|1,0,0]=3 10317 B13R0.335 CCSCCOCCN(C)CC(=O)O cc64cba869aff62e3bba4b2490ca4cdb [0,2,0,0,0,0|2,0,0]=4 10318 B13R0.335 CN(CCCCCCC#N)CC(=O)O 2a26fb2f71e69a236c46fdbe3b6cf904 [0,2,0,0,0,0|1,0,1]=4 10319 B13R0.335 CN(CCCCCCC=O)CC(=O)O e8270a37c95c270ef229b47c7bd67aa4 [0,2,0,0,0,0|1,0,1]=4 10320 B13R0.335 CN(CCCCCCCO)CC(=O)N e8bbc593720a66fe8e63a4f2af0f3803 [0,2,0,0,0,0|2,0,0]=4 10321 B13R0.335 CN(CCCCCCCO)CC(=O)O 64d27653af490c27fa06b75583571c77 [0,2,0,0,0,0|1,0,0]=3 10322 B13R0.335 CN(CCCOCCCO)CC(=O)O 58a4bfa414bfdf3fa2342b0ed44258db [0,2,0,0,0,0|2,0,0]=4 10323 B13R0.335 CN(CCOCCCCF)CC(=O)O 234a692c4255c7713409e4f187c8d4ef [0,2,0,0,0,0|2,0,0]=4 10324 B13R0.335 COCCCCCCN(C)CC(=O)N 586a173fb28ae7beef3b08793a81c65f [0,2,0,0,0,0|2,0,0]=4 10325 B13R0.335 COCCCCCCN(C)CC(=O)O 66bdf5cc92dd77cc44e4b1e42c955aa1 [0,2,0,0,0,0|1,0,0]=3 10326 B13R0.335 COCCCCCNC(C)CC(=O)O 83e21652e08dfd2dc9edb6abdc87ac41 [0,2,0,0,0,0|1,0,0]=3 10327 B13R0.335 COCCCCCN[C@@H](C)CC(=O)O 74aebbfc8e490a683d29c11f6c1d43c6 [0,2,0,0,0,0|1,0,0]=3 10328 B13R0.335 COCCCCCN[C@H](C)CC(=O)O 07c091ebdfd43faf5b18b8b198f0484a [0,2,0,0,0,0|1,0,0]=3 10329 B13R0.335 COCCCCCOC(C)CC(=O)N a14f0f54e7bc705feda1292fea832299 [0,2,0,0,0,0|2,0,0]=4 10330 B13R0.335 COCCCCCOC(C)CC(=O)O b5b64dac317bf247469d549d1c79e116 [0,2,0,0,0,0|1,0,0]=3 10331 B13R0.335 COCCCCCO[C@@H](C)CC(=O)O 30093540b063423583ad877339947e52 [0,2,0,0,0,0|1,0,0]=3 10332 B13R0.335 COCCCCCO[C@H](C)CC(=O)O 8d71ddfbe122ad730fda38a77542f7dc [0,2,0,0,0,0|1,0,0]=3 10333 B13R0.335 COCCCCNCC(=O)CC(=O)O 03af731a014c4bc32b2fe19102ed1fcc [0,2,0,0,0,0|1,0,1]=4 10334 B13R0.335 COCCCCNCC(O)CC(=O)O 4eae5aa2a0e86dfbccb8c4979c8fc15a [0,2,0,0,0,0|1,0,0]=3 10335 B13R0.335 COCCCCNC[C@@H](O)CC(=O)O f423b0722aa931b3083748181d4be86c [0,2,0,0,0,0|1,0,0]=3 10336 B13R0.335 COCCCCNC[C@H](O)CC(=O)O 42b3f4ac6daa5541ac58736e0ec732ac [0,2,0,0,0,0|1,0,0]=3 10337 B13R0.335 COCCCCOCC(=O)CC(=O)O 641075262f714ca82988f9d28fc758a3 [0,2,0,0,0,0|1,0,1]=4 10338 B13R0.335 COCCCNCCC(C)CC(=O)O bf6ca1c489b7ff130cac261f90d5737f [0,2,0,0,0,0|1,0,0]=3 10339 B13R0.335 COCCCOCCC(C)CC(=O)O 0e584bcedf31698ff44e5ee4080a3dc5 [0,2,0,0,0,0|1,0,0]=3 10340 B13R0.335 COCCCOCCN(C)CC(=O)O d91f4e2b8755856b88d110891dfc2b08 [0,2,0,0,0,0|2,0,0]=4 10341 B13R0.335 COCCOCCCN(C)CC(=O)O ae801b03df4af9398a078fe5c13218d9 [0,2,0,0,0,0|2,0,0]=4 10342 B13R0.335 COCCOCCNC(C)CC(=O)O 3f50efa307d8bed77b2f2323cb812cb6 [0,2,0,0,0,0|2,0,0]=4 10343 B13R0.335 COCCOCCN[C@@H](C)CC(=O)O 3f3313f25413a9a56e52d8919ddacd04 [0,2,0,0,0,0|2,0,0]=4 10344 B13R0.335 COCCOCCN[C@H](C)CC(=O)O 942636c08beb07b8441dcbf7adda4058 [0,2,0,0,0,0|2,0,0]=4 10345 B13R0.335 COCCOCCOC(C)CC(=O)O bb78fec418e4ad6b13153164a31eaa11 [0,2,0,0,0,0|2,0,0]=4 10346 B13R0.335 COCCOCCO[C@@H](C)CC(=O)O 96bb029a5a2524e0ca84342c5ee4fd94 [0,2,0,0,0,0|2,0,0]=4 10347 B13R0.335 COCCOCCO[C@H](C)CC(=O)O c9a0aaf9542b03ccf125798ebc47a1c2 [0,2,0,0,0,0|2,0,0]=4 10348 B13R0.335 COCCOCNCC(O)CC(=O)O a6c5e582b4751d74f6fd0afade2c1dbf [0,2,0,0,0,0|2,0,0]=4 10349 B13R0.335 COCCOCNC[C@@H](O)CC(=O)O a2b2888aedc1dd4fcf11085ecb6974fa [0,2,0,0,0,0|2,0,0]=4 10350 B13R0.335 COCCOCNC[C@H](O)CC(=O)O 597bbf82f064d1eccb89002f72843b95 [0,2,0,0,0,0|2,0,0]=4 10351 B13R0.335 COCOCCNCC(O)CC(=O)O 626e3e2922276282d40f570741ed3403 [0,2,0,0,0,0|2,0,0]=4 10352 B13R0.335 COCOCCNC[C@@H](O)CC(=O)O 3fffa5ea883b4cf530cd55a4179293c3 [0,2,0,0,0,0|2,0,0]=4 10353 B13R0.335 COCOCCNC[C@H](O)CC(=O)O 9d07dcb1b3f402c6ad1d70687e3f0893 [0,2,0,0,0,0|2,0,0]=4 10354 B13R0.335 CSCCCCNCC(=O)CC(=O)O fddbfe284671a4358bf9d2332b709255 [0,2,0,0,0,0|1,0,1]=4 10355 B13R0.335 CSCCCCOCC(=O)CC(=O)O b181f3904df26e1df9b740ce005b38ef [0,2,0,0,0,0|1,0,1]=4 10356 B13R0.335 CSCCCNCCC(C)CC(=O)O 137625b43abe64b2d0c4c98fd8b08bc3 [0,2,0,0,0,0|1,0,0]=3 10357 B13R0.335 CSCCCOCCC(C)CC(=O)O b0e08529e86bbd2e7d6e9574422e9a11 [0,2,0,0,0,0|1,0,0]=3 10358 B13R0.335 CSCCCOCCN(C)CC(=O)O 0fc9549439066445b64b3bc1af1e6021 [0,2,0,0,0,0|2,0,0]=4 10359 B13R0.335 C[C@@H](CC(=O)O)NCCCCCC#N 340e8164099ea44f8aa028ac2467c862 [0,2,0,0,0,0|1,0,1]=4 10360 B13R0.335 C[C@@H](CC(=O)O)NCCCCCC=O d917f6db7f7968b512b74e72f8d9333e [0,2,0,0,0,0|1,0,1]=4 10361 B13R0.335 C[C@@H](CC(=O)O)NCCCCCCF 76fb087d896288c1604793d3f6712715 [0,2,0,0,0,0|1,0,0]=3 10362 B13R0.335 C[C@@H](CC(=O)O)NCCCCCCO 04ed57060776409343d4196e54b3fffb [0,2,0,0,0,0|1,0,0]=3 10363 B13R0.335 C[C@@H](CC(=O)O)OCCCCCC#N e0efb523c6694dd4834e245d3799e09f [0,2,0,0,0,0|1,0,1]=4 10364 B13R0.335 C[C@@H](CC(=O)O)OCCCCCC=O dec03c9201a28e4874978d3f7c5702ed [0,2,0,0,0,0|1,0,1]=4 10365 B13R0.335 C[C@@H](CC(=O)O)OCCCCCCF bd765904adcae7d21c0be8751be3e1fd [0,2,0,0,0,0|1,0,0]=3 10366 B13R0.335 C[C@H](CC(=O)O)NCCCCCC#N 0c099993e93ed3f84c0673e19beb133d [0,2,0,0,0,0|1,0,1]=4 10367 B13R0.335 C[C@H](CC(=O)O)NCCCCCC=O 3d98f0c698bb433e423cb0051d70a2b8 [0,2,0,0,0,0|1,0,1]=4 10368 B13R0.335 C[C@H](CC(=O)O)NCCCCCCF ce0d016c8e024c13660f8724ad6f53bb [0,2,0,0,0,0|1,0,0]=3 10369 B13R0.335 C[C@H](CC(=O)O)NCCCCCCO 2fbd17b2ee44b22bed8af948a5288158 [0,2,0,0,0,0|1,0,0]=3 10370 B13R0.335 C[C@H](CC(=O)O)OCCCCCC#N f98528a3d1e1d85ec4d25c925b461d5b [0,2,0,0,0,0|1,0,1]=4 10371 B13R0.335 C[C@H](CC(=O)O)OCCCCCC=O 6a7efbbb6d8be1adf722150377031f87 [0,2,0,0,0,0|1,0,1]=4 10372 B13R0.335 C[C@H](CC(=O)O)OCCCCCCF 0293cdf3ab805e523319d7325e3c1eee [0,2,0,0,0,0|1,0,0]=3 10373 B13R0.335 N#CCCCCNCC(O)CC(=O)O 64d1305b5d189cfb3ec728f6bb067298 [0,2,0,0,0,0|1,0,1]=4 10374 B13R0.335 N#CCCCCNC[C@@H](O)CC(=O)O c02ea5cfe5dacea6f1e7f3597a80558c [0,2,0,0,0,0|1,0,1]=4 10375 B13R0.335 N#CCCCCNC[C@H](O)CC(=O)O f975db49223d561b57a583795fd9b5dc [0,2,0,0,0,0|1,0,1]=4 10376 B13R0.335 NOCCCCNCC(O)CC(=O)O 58aa8d2910fde362776c2e097d1de7c2 [0,2,0,0,0,0|2,0,0]=4 10377 B13R0.335 NOCCCCNC[C@@H](O)CC(=O)O 53d32d72476556d78537a34a4fca6827 [0,2,0,0,0,0|2,0,0]=4 10378 B13R0.335 NOCCCCNC[C@H](O)CC(=O)O 970032522940c00f536a863cf0979b4b [0,2,0,0,0,0|2,0,0]=4 10379 B13R0.335 O=C(O)CC(=O)CNCCCCCCl ac11361a9ca6e17b7501ea0063c460fd [0,2,0,0,0,0|1,0,1]=4 10380 B13R0.335 O=C(O)CC(=O)CNCCCCCO 108e95bf8703c65d472e0dc3bbfe0265 [0,2,0,0,0,0|1,0,1]=4 10381 B13R0.335 O=C(O)CC(O)CNCCCCCF 1cfaae8953b6cf94bfc8596d60c8cf4a [0,2,0,0,0,0|1,0,0]=3 10382 B13R0.335 O=C(O)CC(O)CNCCCCCO d14b007c4ea43df74816ae8fd761c0bf [0,2,0,0,0,0|1,0,0]=3 10383 B13R0.335 O=C(O)CC(O)CNCCOCCO 496649b722ef010b157594425cc396a2 [0,2,0,0,0,0|2,0,0]=4 10384 B13R0.335 O=C(O)C[C@@H](O)CNCCCCCF 2c848530e0eb842581f8d1c99b9f72b2 [0,2,0,0,0,0|1,0,0]=3 10385 B13R0.335 O=C(O)C[C@@H](O)CNCCCCCO a513f3204161a5c8e393508af5526bed [0,2,0,0,0,0|1,0,0]=3 10386 B13R0.335 O=C(O)C[C@@H](O)CNCCOCCO 9585ef8d7b3d6c3894fb7461035e429c [0,2,0,0,0,0|2,0,0]=4 10387 B13R0.335 O=C(O)C[C@H](O)CNCCCCCF 02ca18f1145085eb8fcc3f9ff134be38 [0,2,0,0,0,0|1,0,0]=3 10388 B13R0.335 O=C(O)C[C@H](O)CNCCCCCO f7db64a6fc040c90f1281872dc86a521 [0,2,0,0,0,0|1,0,0]=3 10389 B13R0.335 O=C(O)C[C@H](O)CNCCOCCO ea1aba8eae77eac02e71ce60c9c59f4d [0,2,0,0,0,0|2,0,0]=4 10390 B13R0.335 O=CCCCCNCC(O)CC(=O)O a17764285f812fe8b4ec8112ecf205d1 [0,2,0,0,0,0|1,0,1]=4 10391 B13R0.335 O=CCCCCNC[C@@H](O)CC(=O)O 55c915d29708b39662117257a8e83ee8 [0,2,0,0,0,0|1,0,1]=4 10392 B13R0.335 O=CCCCCNC[C@H](O)CC(=O)O 9cbcf89a918dc396df364f6898fe6ae4 [0,2,0,0,0,0|1,0,1]=4 10393 B13R0.337 CC(C(=O)O)N(C)CCCCCCF 7fbd07b19f9f4482fd664776eb16f48a [0,2,0,0,0,0|2,0,0]=4 10394 B13R0.337 CC(C(=O)O)N(C)CCCCCCO fbff8781d2f4a29a7a6c3a4f5f73908e [0,2,0,0,0,0|2,0,0]=4 10395 B13R0.337 CC(OCCCCCF)C(C)C(=O)O 1e7bfbdfe0594eafc8b97ded329e32b9 [0,2,0,0,0,0|2,0,0]=4 10396 B13R0.337 CCCCCCCN(C)C(C)C(=O)C be21cdb8cb134bcd35c8ead9ddf84ac5 [0,2,0,0,0,0|2,0,0]=4 10397 B13R0.337 CCCCCCCN(C)C(C)C(=O)N 42a7cd7ba66efcc626510253efc138b4 [0,2,0,0,0,0|2,0,0]=4 10398 B13R0.337 CCCCCCCN(C)C(C)C(=O)O c261c8bb05328d1d098264f5c123163b [0,2,0,0,0,0|1,0,0]=3 10399 B13R0.337 CCCCCCCN(C)C(F)C(=O)N 1161b64d86c24785f93256715ef94037 [0,2,0,0,0,0|2,0,0]=4 10400 B13R0.337 CCCCCCCN(C)[C@@H](C)C(=O)N 13d316735feb92db3eaba9669d45b101 [0,2,0,0,0,0|2,0,0]=4 10401 B13R0.337 CCCCCCCN(C)[C@@H](C)C(=O)O fcad86442ea50007721adc7502f0c6dc [0,2,0,0,0,0|1,0,0]=3 10402 B13R0.337 CCCCCCCN(C)[C@H](C)C(=O)N 2e827d9f4365ee7ccca7bc9e4fd945ac [0,2,0,0,0,0|2,0,0]=4 10403 B13R0.337 CCCCCCCN(C)[C@H](C)C(=O)O 9c47a12c42a37ce29908ff113407fb06 [0,2,0,0,0,0|1,0,0]=3 10404 B13R0.337 CCCCCCOC(C)C(C)C(=O)O 9dedb70fb951359ecc1ab18946c12427 [0,2,0,0,0,0|1,0,0]=3 10405 B13R0.337 CCCCOCCN(C)C(C)C(=O)O a02c89dfe0725752ca463426506ee0fd [0,2,0,0,0,0|2,0,0]=4 10406 B13R0.337 CCCCOCCN(C)[C@@H](C)C(=O)O 8e81327d51df4d91fcd0203ec55238ee [0,2,0,0,0,0|2,0,0]=4 10407 B13R0.337 CCCCOCCN(C)[C@H](C)C(=O)O dd44cd32066142dd317d28353c5b11f2 [0,2,0,0,0,0|2,0,0]=4 10408 B13R0.337 CCCCOCOC(C)C(C)C(=O)O 349de9e4e732fbffcf3a1a4a80f34584 [0,2,0,0,0,0|2,0,0]=4 10409 B13R0.337 CCCOCCCN(C)C(C)C(=O)O 8388059b9cbc5160ff5642cd657d5306 [0,2,0,0,0,0|2,0,0]=4 10410 B13R0.337 CCCOCCCN(C)[C@@H](C)C(=O)O e50be9829bc582e1e9c102018a995238 [0,2,0,0,0,0|2,0,0]=4 10411 B13R0.337 CCCOCCCN(C)[C@H](C)C(=O)O a33cd0139d7af768fc527d5a9fff7ffd [0,2,0,0,0,0|2,0,0]=4 10412 B13R0.337 CCCOCCOC(C)C(C)C(=O)O dc2ad29e8406b044c8cf1f1d252f0369 [0,2,0,0,0,0|2,0,0]=4 10413 B13R0.337 CCOCCCOC(C)C(C)C(=O)O 113860fef241f91f24ec9208924b55bd [0,2,0,0,0,0|2,0,0]=4 10414 B13R0.337 COCCCCCN(C)C(C)C(=O)O 81b99f07cecaba47027b670cf626e604 [0,2,0,0,0,0|2,0,0]=4 10415 B13R0.337 COCCCCCN(C)[C@@H](C)C(=O)O ecd0fc6567f36daaad84386085193da0 [0,2,0,0,0,0|2,0,0]=4 10416 B13R0.337 COCCCCCN(C)[C@H](C)C(=O)O 776c2218a41581631b01cfc5c420dc2c [0,2,0,0,0,0|2,0,0]=4 10417 B13R0.337 COCCCCOC(C)C(C)C(=O)O fe1565f928d7d6bf3313832320702944 [0,2,0,0,0,0|2,0,0]=4 10418 B13R0.337 C[C@@H](C(=O)O)N(C)CCCCCCF a6f613a04d8a8d13522f9d908d43d4db [0,2,0,0,0,0|2,0,0]=4 10419 B13R0.337 C[C@@H](C(=O)O)N(C)CCCCCCO 9e8cc14bd5787387eb34536ac3230b18 [0,2,0,0,0,0|2,0,0]=4 10420 B13R0.337 C[C@H](C(=O)O)N(C)CCCCCCF e3a3fd426eb5502f34f81e34d7dc7b3b [0,2,0,0,0,0|2,0,0]=4 10421 B13R0.337 C[C@H](C(=O)O)N(C)CCCCCCO 242fbb1fc75d80941cfcb88a3cbe277c [0,2,0,0,0,0|2,0,0]=4 10422 B13R0.438 CC(CC(=O)O)N(C)CCCCCF 74884a195f8041b89aeb77c02bc4c71f [0,2,0,0,0,0|2,0,0]=4 10423 B13R0.438 CC(CC(=O)O)N(C)CCCCCO 33a2ec9eec6031d4955765289cd6c5bd [0,2,0,0,0,0|2,0,0]=4 10424 B13R0.438 CCCCCCC(C)N(C)CC(=O)N 9fbf38d59dccdfb932dbfe551bf58c27 [0,2,0,0,0,0|2,0,0]=4 10425 B13R0.438 CCCCCCC(C)N(C)CC(=O)O 7a136eee8c73f439acd4b151111260a5 [0,2,0,0,0,0|1,0,0]=3 10426 B13R0.438 CCCCCCN(C)C(C)CC(=O)O 0778623c8a2163faff397d66089d26eb [0,2,0,0,0,0|1,0,0]=3 10427 B13R0.438 CCCCOCN(C)C(C)CC(=O)O 4eae52b0be72b651ce47cf9588222280 [0,2,0,0,0,0|2,0,0]=4 10428 B13R0.438 CCCOCCN(C)C(C)CC(=O)O 9a53852f91dd0c2134ac2cb039e7bd44 [0,2,0,0,0,0|2,0,0]=4 10429 B13R0.438 CCOCCCN(C)C(C)CC(=O)O 5b70d7c26807a6136783b3b194594ecb [0,2,0,0,0,0|2,0,0]=4 10430 B13R0.438 CCSCCCN(C)C(C)CC(=O)O 9fd233f3f3338313d10991b972e97050 [0,2,0,0,0,0|2,0,0]=4 10431 B13R0.438 COCCCCN(C)C(C)CC(=O)O dfb08c78d2c9ac6e0f5dcf0610e63028 [0,2,0,0,0,0|2,0,0]=4 10432 B13R0.712 CC(C)(CC(=O)O)NCCCCCF b45fe1540bf469e0b24c9a8993dc6f4e [0,2,0,0,0,0|2,0,0]=4 10433 B13R0.712 CC(C)(CC(=O)O)NCCCCCO ab3941e02ef06e911fbc429696e27956 [0,2,0,0,0,0|2,0,0]=4 10434 B13R0.712 CC(C)(CNCCCCF)CC(=O)O f2d83e8c81024e9979302e89a7adc503 [0,2,0,0,0,0|2,0,0]=4 10435 B13R0.712 CC(C)(CNCCCCO)CC(=O)O 2dd2319c5ba1edb6e5855caf65cd3428 [0,2,0,0,0,0|2,0,0]=4 10436 B13R0.712 CCCCCCNC(C)(C)CC(=O)C 742122c6107ed2d0f2e62351e90893cc [0,2,0,0,0,0|2,0,0]=4 10437 B13R0.712 CCCCCCNC(C)(C)CC(=O)N 943fdc05b0c11932f000f1448350c04d [0,2,0,0,0,0|2,0,0]=4 10438 B13R0.712 CCCCCCNC(C)(C)CC(=O)O 81d53f37bfd287239bfc7ca9b395c925 [0,2,0,0,0,0|1,0,0]=3 10439 B13R0.712 CCCCCNCC(C)(C)CC(=O)O 41ddd152ed2bfaaf624dea4a66cdf126 [0,2,0,0,0,0|1,0,0]=3 10440 B13R0.712 CCCCOCNC(C)(C)CC(=O)O e578b74e792f8a1730fa89df49280746 [0,2,0,0,0,0|2,0,0]=4 10441 B13R0.712 CCCOCCNC(C)(C)CC(=O)O 9bb825b8777a27b5c0db83fcb3766224 [0,2,0,0,0,0|2,0,0]=4 10442 B13R0.712 CCOCCCNC(C)(C)CC(=O)O ce7684717c10119a20c89e2d0c134698 [0,2,0,0,0,0|2,0,0]=4 10443 B13R0.712 CCOCCNCC(C)(C)CC(=O)O 4aca995fcae11ea2222bbfbf7ea40eca [0,2,0,0,0,0|2,0,0]=4 10444 B13R0.712 CCSCCNCC(C)(C)CC(=O)O 312abe31107136237bcae1f01e7331c9 [0,2,0,0,0,0|2,0,0]=4 10445 B13R0.712 COCCCCNC(C)(C)CC(=O)O afb1d536b42bd073969014488929570e [0,2,0,0,0,0|2,0,0]=4 10446 B13R0.712 COCCCNCC(C)(C)CC(=O)O 90c7ac42005969faa6b57b608da5a10f [0,2,0,0,0,0|2,0,0]=4 10447 B13R0.712 CSCCCNCC(C)(C)CC(=O)O 364926ad7ee0db24a44d9509ac4223cc [0,2,0,0,0,0|2,0,0]=4 10448 B13R0.71 C=C(CC)CN(C)CCCCC(=O)O 59908cab7c9797d0cc31554e16b6f987 [0,2,0,0,0,0|1,0,1]=4 10449 B13R0.71 CC(CO)CN(C)CCCCC(=O)O 625910f55103d089216fbff1e0c498ba [0,2,0,0,0,0|2,0,0]=4 10450 B13R0.71 CCC(=O)CN(C)CCCCC(=O)O b4cf97d59fe7c5cf53b703ab928a36d2 [0,2,0,0,0,0|1,0,1]=4 10451 B13R0.71 CCC(C)CC(C)NCCCC(=O)C 002d2692f98b8dbce45f9b9ff3a3b8f7 [0,2,0,0,0,0|2,0,0]=4 10452 B13R0.71 CCC(C)CC(C)NCCCC(=O)N 83921efeb1cc0270e3ba0fff3b5255d9 [0,2,0,0,0,0|2,0,0]=4 10453 B13R0.71 CCC(C)CC(C)NCCCC(=O)O 3f4e766d85c4e11f37f0f5c99b256613 [0,2,0,0,0,0|1,0,0]=3 10454 B13R0.71 CCC(C)CN(C)CCCCC(=O)O 155fe036d5833c4daa534ff5a4c02230 [0,2,0,0,0,0|1,0,0]=3 10455 B13R0.71 CCC(O)CN(C)CCCCC(=O)C e97cfe3f1989ae12a91d8a4158c53ae0 [0,2,0,0,0,0|2,0,0]=4 10456 B13R0.71 CCC(O)CN(C)CCCCC(=O)N 613728ea8cde0611d115fd000ea0a4ed [0,2,0,0,0,0|2,0,0]=4 10457 B13R0.71 CCC(O)CN(C)CCCCC(=O)O 7fd4e0141f2e3bf790bfb94d3c6cace4 [0,2,0,0,0,0|1,0,0]=3 10458 B13R0.71 CCC(O)CN(C)CCOCC(=O)O 226f706660aa59990f3a062b932494c2 [0,2,0,0,0,0|2,0,0]=4 10459 B13R0.71 CCN(C)CC(C)CNCCC(=O)O 263e5d9b8f7d6cd6b0419dcdbee59491 [0,2,0,0,0,0|2,0,0]=4 10460 B13R0.71 CC[C@@H](C)CN(C)CCCCC(=O)O 3a1dfc8aa178b156e2ff1d6f69eab38d [0,2,0,0,0,0|1,0,0]=3 10461 B13R0.71 CC[C@H](C)CN(C)CCCCC(=O)O 2ec7d6ac73e5bede112d7b3c272412a7 [0,2,0,0,0,0|1,0,0]=3 10462 B13R0.71 CN(CCCCC(=O)O)CC(O)CF 17189572a6bd92430241f223f7f059d4 [0,2,0,0,0,0|2,0,0]=4 10463 B13R0.71 COC(C)CN(C)CCCCC(=O)O 2e81d4894608c767b72241eb6765463a [0,2,0,0,0,0|2,0,0]=4 10464 B13R0.71 CO[C@@H](C)CN(C)CCCCC(=O)O 16dc9e04f94b64184c1e14f1bfe3cb24 [0,2,0,0,0,0|2,0,0]=4 10465 B13R0.71 CO[C@H](C)CN(C)CCCCC(=O)O 150e2479edc592c44bde1299591404e5 [0,2,0,0,0,0|2,0,0]=4 10466 B13R0.71 C[C@@H](CO)CN(C)CCCCC(=O)O 548c300e441546e3920f03e416a1e2ff [0,2,0,0,0,0|2,0,0]=4 10467 B13R0.71 C[C@H](CO)CN(C)CCCCC(=O)O aa16cecd4fddc3be181dcbcea80f0fc8 [0,2,0,0,0,0|2,0,0]=4 10468 B13R0.113 C=C(COCCC(C)CCCC)OC f4ef07c2ec1e2c6715367503dab08049 [0,2,0,0,0,0|2,0,0]=4 10469 B13R0.113 C=CC(=O)CCCNC(C)CCCC 34796c7cfa879ce6519e818d5db118e2 [0,2,0,0,0,0|2,0,0]=4 10470 B13R0.113 C=CC(=O)CCCN[C@H](C)CCCC dfd02d1b9661a3fa8c69b0b2d363c8e4 [0,2,0,0,0,0|2,0,0]=4 10471 B13R0.113 C=CC(=O)CCCOC(C)CCCC 05d637c159c528cf0e7e0fa865f7b0e8 [0,2,0,0,0,0|2,0,0]=4 10472 B13R0.113 C=CC(=O)CCCO[C@@H](C)CCCC 7945f7c6296cfe0dc5d3f47f988c0ae4 [0,2,0,0,0,0|2,0,0]=4 10473 B13R0.113 C=CC(=O)CCCO[C@H](C)CCCC 2b4931c5c08cb13b4e206b8c400b2f77 [0,2,0,0,0,0|2,0,0]=4 10474 B13R0.113 CCCCC(=O)NCCCC(=O)OC 10524d14ef5611c3fda04feef0cb8570 [0,2,0,0,0,0|1,0,1]=4 10475 B13R0.113 CCCCC(C)CCOCC(=O)CC 2dd009def70822a4c5bac938267aeff8 [0,2,0,0,0,0|2,0,0]=4 10476 B13R0.113 CCCCC(C)CCOCC(=O)NC 2c22f9a5439ac397058849bb6ef50d1a [0,2,0,0,0,0|2,0,0]=4 10477 B13R0.113 CCCCC(C)CCOCC(=O)OC bfc9db06c5ac4a9cb2040740c7705f78 [0,2,0,0,0,0|1,0,0]=3 10478 B13R0.113 CCCCC(C)COCCC(=O)NC 9239727926f5e1ca44ad1ecb70c24e59 [0,2,0,0,0,0|2,0,0]=4 10479 B13R0.113 CCCCC(C)COCCC(=O)OC bac3ddd77e3c0bd33e5812b27af0fb9f [0,2,0,0,0,0|1,0,0]=3 10480 B13R0.113 CCCCC(C)COCOC(=O)OC 6ee56e5ce1e0a1035d35f4590f4c14fd [0,2,0,0,0,0|2,0,0]=4 10481 B13R0.113 CCCCC(C)NCCCC(=O)NC e35527411e4d4dfbf93dc7f8df67777d [0,2,0,0,0,0|2,0,0]=4 10482 B13R0.113 CCCCC(C)NCCCC(=O)OC 9dff844de753c1b9ab7d9c9edfdf7567 [0,2,0,0,0,0|1,0,0]=3 10483 B13R0.113 CCCCC(C)OCCCC(=O)NC 8afca5102f2f7c5621e38c4c44496c41 [0,2,0,0,0,0|2,0,0]=4 10484 B13R0.113 CCCCC(C)OCCCC(=O)OC b3b8c66de23c601d0807fddbebef7c6b [0,2,0,0,0,0|1,0,0]=3 10485 B13R0.113 CCCCC(C)OCCOC(=O)OC 03a3aa1fb9e9b9ccd4d01b0639846555 [0,2,0,0,0,0|2,0,0]=4 10486 B13R0.113 CCCCC(O)CNCCC(=O)NC 467a0056bcf9d592efdd97cd29f049e3 [0,2,0,0,0,0|2,0,0]=4 10487 B13R0.113 CCCCC(O)CNCCC(=O)OC c08f368333e9a42ba6c5570596ed3740 [0,2,0,0,0,0|1,0,0]=3 10488 B13R0.113 CCCCC(O)CNCOC(=O)OC cde28ad634289e1003ade3ebbd8d0882 [0,2,0,0,0,0|2,0,0]=4 10489 B13R0.113 CCCCN(C)CCCCC(=O)CC 65ae3a0f76d0186fc9a022092737118f [0,2,0,0,0,0|2,0,0]=4 10490 B13R0.113 CCCCN(C)CCCCC(=O)OC 5e458d4f2ed0f85d9b873a938ae9aa48 [0,2,0,0,0,0|1,0,0]=3 10491 B13R0.113 CCCCN(C)CCCNC(=O)CO 8296913e9e45847d57c0fa02c1de5f8a [0,2,0,0,0,0|2,0,0]=4 10492 B13R0.113 CCCCN(C)CCNCC(=O)CO 09b708a728e877dc7963f445f5eeb476 [0,2,0,0,0,0|2,0,0]=4 10493 B13R0.113 CCCCN(C)CCNCC(=O)OC 4caccedd4a613e4f2b1da8af04d0d022 [0,2,0,0,0,0|2,0,0]=4 10494 B13R0.113 CCCCN(C)CCOCC(=O)OC f2f763194d1251f69625ceab34ebbd28 [0,2,0,0,0,0|2,0,0]=4 10495 B13R0.113 CCCC[C@@H](C)NCCCC(=O)NC e993688f439b014cf26abe35f0e8449d [0,2,0,0,0,0|2,0,0]=4 10496 B13R0.113 CCCC[C@@H](C)NCCCC(=O)OC 8440aecd67c5d91bd71807c9bcd4bcea [0,2,0,0,0,0|1,0,0]=3 10497 B13R0.113 CCCC[C@@H](C)OCCCC(=O)NC 783cfddbccfbf5ca4ae0b3c4bb3dbac0 [0,2,0,0,0,0|2,0,0]=4 10498 B13R0.113 CCCC[C@@H](C)OCCCC(=O)OC 778779af1efb907e4997574b8153b404 [0,2,0,0,0,0|1,0,0]=3 10499 B13R0.113 CCCC[C@H](C)OCCCC(=O)NC 4b1ad36f12f994629a8844a9c0156ccf [0,2,0,0,0,0|2,0,0]=4 10500 B13R0.113 CCCC[C@H](C)OCCCC(=O)OC 9f92a503694a9c7d15b82ce6c2798d57 [0,2,0,0,0,0|1,0,0]=3 10501 B13R0.113 CCCNC(=O)CCCCC(=O)OC 7ae397b909caeae97d2710e26dfa566b [0,2,0,0,0,0|1,0,1]=4 10502 B13R0.113 CCOCC(C)COCCC(=O)OC 2febca04910a972da794d115ec6d3d03 [0,2,0,0,0,0|2,0,0]=4 10503 B13R0.113 CCOCC(C)OCCCC(=O)OC c1916178cddb1e8beaff58b44b3bebf3 [0,2,0,0,0,0|2,0,0]=4 10504 B13R0.113 CCOCC(O)CNCCC(=O)OC 311166488327d1eb4397d0ef193ff71f [0,2,0,0,0,0|2,0,0]=4 10505 B13R0.113 COC(=O)CCCCN(C)CCCO 0d3e2a7be957dd08544cc0e2fbc2e67a [0,2,0,0,0,0|2,0,0]=4 10506 B13R0.113 COC(=O)CCCCN(C)CCSC 91d89111e77c23659f25650e79c36844 [0,2,0,0,0,0|2,0,0]=4 10507 B13R0.113 COC(=O)CCCNC(C)CCCO 85bb5a78510bb2d57a081f57111d2b19 [0,2,0,0,0,0|2,0,0]=4 10508 B13R0.113 COC(=O)CCCN[C@H](C)CCCO 875b0782d6ef5331ad09b5b97eeb9d95 [0,2,0,0,0,0|2,0,0]=4 10509 B13R0.113 COC(=O)CCCOC(C)CCSC 4237d3c81649b89c95e3f04435e306b6 [0,2,0,0,0,0|2,0,0]=4 10510 B13R0.113 COC(=O)CCNC[C@H](C)CCCO 19c772ad983df257d4d6b9c12a421934 [0,2,0,0,0,0|2,0,0]=4 10511 B13R0.113 COCCC(C)OCCCC(=O)OC 871f395db061cfb26d8f2d84fbd5739f [0,2,0,0,0,0|2,0,0]=4 10512 B13R0.113 COCCN(C)CCCCC(=O)OC e53c08398277d22279c03c728ef23979 [0,2,0,0,0,0|2,0,0]=4 10513 B13R0.117 C=C(CNCC(O)CCCC)C(=O)O 7176567b97e4d56b14c4ec6fde96ad31 [0,2,0,0,0,0|1,0,1]=4 10514 B13R0.117 C=C(COCC(C)CCCC)C(=O)O c36354057c1535f4031a7b310d4a9b75 [0,2,0,0,0,0|1,0,1]=4 10515 B13R0.117 CC(CCCN(C)CCCO)C(=O)O b7941eda2b951ebbee6b840061762af3 [0,2,0,0,0,0|2,0,0]=4 10516 B13R0.117 CC(CCCO)NCCC(O)C(=O)O 9a8bbedebb1ae10237c40ad0560218bf [0,2,0,0,0,0|2,0,0]=4 10517 B13R0.117 CC(CCCO)NCC[C@H](O)C(=O)O 54971433fdba0bbacc9fd931db2d7eee [0,2,0,0,0,0|2,0,0]=4 10518 B13R0.117 CC(CNC[C@H](C)CCCO)C(=O)O 2da9da450454eb1d8682b48abebf1ad2 [0,2,0,0,0,0|2,0,0]=4 10519 B13R0.117 CCCCC(C)CCOC(C)C(=O)C b03a0bc2a28edb1f420f84e92f6a4d44 [0,2,0,0,0,0|2,0,0]=4 10520 B13R0.117 CCCCC(C)CCOC(C)C(=O)N a3a3c5811d2a1dc23d82dc0c83159f7f [0,2,0,0,0,0|2,0,0]=4 10521 B13R0.117 CCCCC(C)CCOC(C)C(=O)O 44e1e9ba9a9093c64ce75974a5947e30 [0,2,0,0,0,0|1,0,0]=3 10522 B13R0.117 CCCCC(C)CCOC(F)C(=O)N d7680d55674840986de5cf01e32bbd29 [0,2,0,0,0,0|2,0,0]=4 10523 B13R0.117 CCCCC(C)CCO[C@@H](C)C(=O)N df82fb6da032ab8fde12caae0d88dd4a [0,2,0,0,0,0|2,0,0]=4 10524 B13R0.117 CCCCC(C)CCO[C@@H](C)C(=O)O 7f326b08a8fff10f9849812024c29c07 [0,2,0,0,0,0|1,0,0]=3 10525 B13R0.117 CCCCC(C)CCO[C@H](C)C(=O)N 6fe8aa73c2e9dd73995623e00f8c8f24 [0,2,0,0,0,0|2,0,0]=4 10526 B13R0.117 CCCCC(C)CCO[C@H](C)C(=O)O 89a3343d43656df692ffd3589db76361 [0,2,0,0,0,0|1,0,0]=3 10527 B13R0.117 CCCCC(C)COCC(C)C(=O)O 24acedf2043139e8db59af7371f212b0 [0,2,0,0,0,0|1,0,0]=3 10528 B13R0.117 CCCCC(O)CNCC(=O)C(=O)O d9f72ea19ff455eeec4ed037e6d9345c [0,2,0,0,0,0|1,0,1]=4 10529 B13R0.117 CCCCC(O)CNCC(C)C(=O)O bd56f67a17b11974361500af1a472b58 [0,2,0,0,0,0|1,0,0]=3 10530 B13R0.117 CCCCC(O)CNCC(O)C(=O)O 0e7892e8d03b381058c4fb2f43acefef [0,2,0,0,0,0|1,0,0]=3 10531 B13R0.117 CCCCC(O)CNC[C@H](O)C(=O)O 97a0fee6a11d9d24818cba40d2a66902 [0,2,0,0,0,0|1,0,0]=3 10532 B13R0.117 CCCCN(C)CCCC(C)C(=O)O 4b4124992c654576dab491c79c6dcd65 [0,2,0,0,0,0|1,0,0]=3 10533 B13R0.117 CCCCN(C)CCNC(C)C(=O)O ce384fd2d36f729f7a3e2f770d2ab5b4 [0,2,0,0,0,0|2,0,0]=4 10534 B13R0.117 CCCCN(C)CCN[C@@H](C)C(=O)O c712890bb321f0dd1bdd5e75c7fb3021 [0,2,0,0,0,0|2,0,0]=4 10535 B13R0.117 CCCCN(C)CCN[C@H](C)C(=O)O ff42f96f2a60acc0f69d66c4d88218e5 [0,2,0,0,0,0|2,0,0]=4 10536 B13R0.117 CCOCC(O)CNCC(C)C(=O)O 1fc245a0174abb28ff1deb52219d3b47 [0,2,0,0,0,0|2,0,0]=4 10537 B13R0.117 CCOCC(O)CNCC(O)C(=O)O 3f08b4e5ac6c868530fced774c63664d [0,2,0,0,0,0|2,0,0]=4 10538 B13R0.117 CCOCC(O)CNC[C@H](O)C(=O)O ce5f1ae2995285313c46dea53c2414d5 [0,2,0,0,0,0|2,0,0]=4 10539 B13R0.117 COCCN(C)CCCC(C)C(=O)O 37d42d206833394b643260602a91a23c [0,2,0,0,0,0|2,0,0]=4 10540 B13R0.117 CSCCN(C)CCCC(C)C(=O)O e5f9ad4b965f1aeccdab63a128f2b1ce [0,2,0,0,0,0|2,0,0]=4 10541 B13R0.117 C[C@H](CCCO)CNCC(O)C(=O)O 5956d553fe16d287cae07d35507b0513 [0,2,0,0,0,0|2,0,0]=4 10542 B13R0.117 C[C@H](CCCO)CNC[C@H](O)C(=O)O cca3c4eab062d12f03f128e542f856ef [0,2,0,0,0,0|2,0,0]=4 10543 B13R0.124 CCCCC(C)COCCS(=O)(=O)O 38dbce217a7d2e10f3dbd7c0d0712a16 [0,2,0,0,0,0|2,0,0]=4 10544 B13R0.124 CCCCC(C)NCCCS(=O)(=O)O 54e79bb5dfe0855124fbf2e94ea92c2a [0,2,0,0,0,0|2,0,0]=4 10545 B13R0.124 CCCCC(C)OCCCS(=O)(=O)O 3c54cb020ced9fb91c56a9e02d6277c3 [0,2,0,0,0,0|2,0,0]=4 10546 B13R0.124 CCCCC(O)CNCCS(=O)(=O)O c720cf9e6bed410798c4f8588bd5a35e [0,2,0,0,0,0|2,0,0]=4 10547 B13R0.124 CCCCN(C)CCCCS(=O)(=O)O edb86b61483751b0672a0c92dc1ac2fb [0,2,0,0,0,0|2,0,0]=4 10548 B13R0.124 CCCC[C@@H](C)NCCCS(=O)(=O)O 4afdbe1c402f8ee2b38e442aa9495a43 [0,2,0,0,0,0|2,0,0]=4 10549 B13R0.124 CCCC[C@@H](C)OCCCS(=O)(=O)O a9484943a5793b79379d752b65befd04 [0,2,0,0,0,0|2,0,0]=4 10550 B13R0.124 CCCC[C@H](C)OCCCS(=O)(=O)O bb01fd1d24a870a6509aa4a539e7c099 [0,2,0,0,0,0|2,0,0]=4 10551 B13R0.172 CCCCC(C)OC(C)CCC(=O)O c417c71779b3cccbf19a3178f10e6ab7 [0,2,0,0,0,0|1,0,0]=3 10552 B13R0.172 CCCCN(C)CC(=O)CCC(=O)O 2b78bf3b099ab39f11aa4c4f290cbf7e [0,2,0,0,0,0|1,0,1]=4 10553 B13R0.172 CCOCC(C)OC(C)CCC(=O)O ce7b6be5f0f91c87f5aee1043447a28c [0,2,0,0,0,0|2,0,0]=4 10554 B13R0.172 CCSCC(O)CN(C)CCC(=O)O 1c3ef5090a1d0053fa1361b51a4b4725 [0,2,0,0,0,0|2,0,0]=4 10555 B13R0.172 CSCCC(O)CN(C)CCC(=O)O 71df8ccbf1c5e0017963249ab32fc950 [0,2,0,0,0,0|2,0,0]=4 10556 B13R0.182 C=C(C)CCN(C)CCCCC(=O)O dc9c35466c9c18c6263e86e393542fb3 [0,2,0,0,0,0|1,0,1]=4 10557 B13R0.182 CC(=O)CCCCN(C)CCC(=O)O 766a7b149e6763a1213bab6e2685c2b9 [0,2,0,0,0,0|1,0,1]=4 10558 B13R0.182 CC(=O)CCCCN(C)CCC(C)C 4b25721215ba8b8713ffb90a2dfda64a [0,2,0,0,0,0|2,0,0]=4 10559 B13R0.182 CC(=O)CCCCN(C)CCC(C)O 6899bd17484a69da7ffd69f84f5fd05a [0,2,0,0,0,0|2,0,0]=4 10560 B13R0.182 CC(=O)CCCNC(C)CCC(=O)O 4bb801337d853fb7577f16cb04012060 [0,2,0,0,0,0|1,0,1]=4 10561 B13R0.182 CC(=O)CCCNC(C)CCC(C)C eab88f08af9bc17178e5b56642a0558f [0,2,0,0,0,0|2,0,0]=4 10562 B13R0.182 CC(=O)CCCN[C@@H](C)CCC(=O)O 04f03379dee4ad6413127139324dde80 [0,2,0,0,0,0|1,0,1]=4 10563 B13R0.182 CC(=O)CCCOC(C)CCC(=O)O 4e1d6d5d56ad7bc3f09f620f607f4326 [0,2,0,0,0,0|1,0,1]=4 10564 B13R0.182 CC(=O)CCCOC(C)CCC(C)C 5baa141d1ecc427179d600e123e0aa88 [0,2,0,0,0,0|2,0,0]=4 10565 B13R0.182 CC(=O)CCN(C)CCCCC(=O)O cac37bc0fcd7ef40433785edf83e6243 [0,2,0,0,0,0|1,0,1]=4 10566 B13R0.182 CC(=O)CCOCC(C)CCC(C)C e85ddfdd7423d929335e923fec64a663 [0,2,0,0,0,0|2,0,0]=4 10567 B13R0.182 CC(C)CCC(C)CNCCC(=O)N 996566358f8330ec93f8af9537191fcd [0,2,0,0,0,0|2,0,0]=4 10568 B13R0.182 CC(C)CCC(C)CNCCC(=O)O 5cbf36eaa54720f07ded06053c70c837 [0,2,0,0,0,0|1,0,0]=3 10569 B13R0.182 CC(C)CCC(C)CNCCS(=O)O 0dab6741854fcdefc27fe0bba51a47ab [0,2,0,0,0,0|2,0,0]=4 10570 B13R0.182 CC(C)CCC(C)COCCC(=O)N 3ba089908e09d4aada14752be1a1f9d4 [0,2,0,0,0,0|2,0,0]=4 10571 B13R0.182 CC(C)CCC(C)COCCC(=O)O 7af089ba04fb37c1e6c8764d5b945080 [0,2,0,0,0,0|1,0,0]=3 10572 B13R0.182 CC(C)CCC(C)NCCCC(=O)N bd0d6055c0626ed7989552900f11ac89 [0,2,0,0,0,0|2,0,0]=4 10573 B13R0.182 CC(C)CCC(C)OCCCC(=O)N c7dc1ecb36a6fe19919a509ccac0ae83 [0,2,0,0,0,0|2,0,0]=4 10574 B13R0.182 CC(C)CCCCN(C)CCC(=O)N 9daa5799a5521698dd3b2c2853f3418c [0,2,0,0,0,0|2,0,0]=4 10575 B13R0.182 CC(C)CCCCN(C)CCC(=O)O f09e965bea0f313df644c3fef86bd8ea [0,2,0,0,0,0|1,0,0]=3 10576 B13R0.182 CC(C)CCCNC(C)CCC(=O)O 75f778114450ed21e8200cd0c8c01923 [0,2,0,0,0,0|1,0,0]=3 10577 B13R0.182 CC(C)CCCN[C@@H](C)CCC(=O)O 5379ada511156cc0f44edf91311c8375 [0,2,0,0,0,0|1,0,0]=3 10578 B13R0.182 CC(C)CCCOC(C)CCC(=O)O 6cc1226422c4617462f4da7db6693703 [0,2,0,0,0,0|1,0,0]=3 10579 B13R0.182 CC(C)CCN(C)CCCCC(=O)N e18a1399d27e03ecf26c0cb5d860e257 [0,2,0,0,0,0|2,0,0]=4 10580 B13R0.182 CC(C)CCN(C)CCCCC(=O)O 809b346a625d4f6f2850da064d7854a4 [0,2,0,0,0,0|1,0,0]=3 10581 B13R0.182 CC(C)CCN(C)CCOCC(=O)O 6ea4a1e3c8065a99197ef64b3ffcca93 [0,2,0,0,0,0|2,0,0]=4 10582 B13R0.182 CC(C)CCNCC(=O)CCC(=O)O 48bd6c2367b3af164465655d7df9a742 [0,2,0,0,0,0|1,0,1]=4 10583 B13R0.182 CC(C)CCOCC(=O)CCC(=O)O 5dcd1390cbee788d6ef5e6dfeb45a355 [0,2,0,0,0,0|1,0,1]=4 10584 B13R0.182 CC(C)CNCCN(C)CCC(=O)O 8fdf5711dcd765d8b980b7a73a2ea664 [0,2,0,0,0,0|2,0,0]=4 10585 B13R0.182 CC(C)COCCN(C)CCC(=O)O 1363240650b3fe74455e13bea4766ffb [0,2,0,0,0,0|2,0,0]=4 10586 B13R0.182 CC(C)OCC(C)OCCCC(=O)O b65e7694c0b2e71923368787c89fd8b8 [0,2,0,0,0,0|2,0,0]=4 10587 B13R0.182 CC(C)OCC(O)CNCCC(=O)O cff1d9364628c1df3d8a29124d8907aa [0,2,0,0,0,0|2,0,0]=4 10588 B13R0.182 CC(C)OCCN[C@@H](C)CCC(=O)O 1b4d4f58c3ff30c7e4ee3549637eec3e [0,2,0,0,0,0|2,0,0]=4 10589 B13R0.182 CC(C)OCCOC(C)CCC(=O)O d19d308c256293fa05e8d3eb21b8f19f [0,2,0,0,0,0|2,0,0]=4 10590 B13R0.182 CC(C)OCN(C)CCCCC(=O)O 63bc321e5e812928f73bd0bf18fbd59b [0,2,0,0,0,0|2,0,0]=4 10591 B13R0.182 CC(C)OC[C@H](C)OCCCC(=O)O 3002f4e2a3986fc15f6315a91388830c [0,2,0,0,0,0|2,0,0]=4 10592 B13R0.182 CC(C)SCCN[C@@H](C)CCC(=O)O 2ad0afdb12d1cff1a5e1079702ee87ee [0,2,0,0,0,0|2,0,0]=4 10593 B13R0.182 CC(CCC(=O)O)NCCCN(C)C 0431ebdc9c501a16faf4dad24feb40cb [0,2,0,0,0,0|2,0,0]=4 10594 B13R0.182 CC(CCC(=O)O)NCCOC(C)C ccf2e260c37a415e43f6dc538c9c1527 [0,2,0,0,0,0|2,0,0]=4 10595 B13R0.182 CC(CCC(=O)O)NCCSC(C)C 148442cdf9edede0188178709201b0ed [0,2,0,0,0,0|2,0,0]=4 10596 B13R0.182 CC(CCC(=O)O)OCCCN(C)C 3e25da41e46ff922ad78e9aaf0846fec [0,2,0,0,0,0|2,0,0]=4 10597 B13R0.182 CC(CCC(=O)O)OCCSC(C)C 0cebfe6e863e38fd4c96b4762da4c20d [0,2,0,0,0,0|2,0,0]=4 10598 B13R0.182 CC(CCN(C)C)NCCCC(=O)O d962e4b2eb1107df7f517f86e8670d99 [0,2,0,0,0,0|2,0,0]=4 10599 B13R0.182 CC(O)CCCCN(C)CCC(=O)N cdc4f07f2b85ffcc4607b40f858db016 [0,2,0,0,0,0|2,0,0]=4 10600 B13R0.182 CC(O)CCCCN(C)CCC(=O)O 9dfc42f503e6fd9bd95f503dd363d131 [0,2,0,0,0,0|1,0,0]=3 10601 B13R0.182 CC(O)CCCNC(C)CCC(=O)O 1a9c7e23756ae8acbc23247a5068e752 [0,2,0,0,0,0|1,0,0]=3 10602 B13R0.182 CC(O)CCCN[C@@H](C)CCC(=O)O b6092ba48caacb5397dd5b2fc6402c7c [0,2,0,0,0,0|1,0,0]=3 10603 B13R0.182 CC(O)CCN(C)CCCCC(=O)N 978c26115d43941e69f0242f5e810b2f [0,2,0,0,0,0|2,0,0]=4 10604 B13R0.182 CC(O)CCN(C)CCCCC(=O)O 5964ca799cb7f83d397c444b0daa0157 [0,2,0,0,0,0|1,0,0]=3 10605 B13R0.182 CC(O)CCN(C)CCOCC(=O)O 2726efc46508a9f7c4a8c285985ae760 [0,2,0,0,0,0|2,0,0]=4 10606 B13R0.182 CC(O)CCNCC(=O)CCC(=O)O e18e39ccffc1ca005dcb2bba908aff1e [0,2,0,0,0,0|1,0,1]=4 10607 B13R0.182 CC(O)CNCCN(C)CCC(=O)O 44b6fa96f999412e0d4dd8bbdbd4e85b [0,2,0,0,0,0|2,0,0]=4 10608 B13R0.182 CN(C)CCCCN(C)CCC(=O)O e7f052b05fb5f5320c2d02857c3b63d1 [0,2,0,0,0,0|2,0,0]=4 10609 B13R0.182 CN(C)CCN(C)CCCCC(=O)O a758027dcb05b188753e0a498655b928 [0,2,0,0,0,0|2,0,0]=4 10610 B13R0.182 CN(CCCCC(=O)O)CCC(F)F c10c1c490a1aca76de5c87ca0782cf99 [0,2,0,0,0,0|2,0,0]=4 10611 B13R0.182 C[C@@H](CCC(=O)O)NCCCN(C)C c845bb882d8cccd4e03b5d97603f5222 [0,2,0,0,0,0|2,0,0]=4 10612 B13R0.182 C[C@@H](CCN(C)C)NCCCC(=O)O d7fa1d88f99ab69e44d468e00c7f3248 [0,2,0,0,0,0|2,0,0]=4 10613 B13R0.182 C[C@@H](O)CCCCN(C)CCC(=O)N 14a062c1137e7dc493db47930c98f343 [0,2,0,0,0,0|2,0,0]=4 10614 B13R0.182 C[C@@H](O)CCCCN(C)CCC(=O)O b6c330571925a339f77315007ec929c2 [0,2,0,0,0,0|1,0,0]=3 10615 B13R0.182 C[C@@H](O)CCNCC(=O)CCC(=O)O 49a995ff6a69faeeb388b65eb061fd22 [0,2,0,0,0,0|1,0,1]=4 10616 B13R0.182 C[C@@H](O)CNCCN(C)CCC(=O)O 8a18d83a64dbd34285cbf44a398a19d8 [0,2,0,0,0,0|2,0,0]=4 10617 B13R0.182 C[C@H](CCN(C)C)NCCCC(=O)O 2a1d683dc3bc68b7c9e7dacfc3b91469 [0,2,0,0,0,0|2,0,0]=4 10618 B13R0.182 C[C@H](O)CCNCC(=O)CCC(=O)O e4b8331d71af0329f8370ad94c29f5b7 [0,2,0,0,0,0|1,0,1]=4 10619 B13R0.182 C[C@H](O)CNCCN(C)CCC(=O)O 416217339c0e3cd3c3414eb1775c41f8 [0,2,0,0,0,0|2,0,0]=4 10620 B13R0.188 C#CCCCN(C)CCCCC(=O)O a17a95d0486b5b4f8565e7465a8bda75 [0,2,0,0,0,0|0,0,2]=4 10621 B13R0.188 C=C(C)CCCNC(C)CCCCC c82ec5a961f0d2325d21edaa179628d4 [0,2,0,0,0,0|2,0,0]=4 10622 B13R0.188 C=C(C)CCCN[C@@H](C)CCCCC 32c73a7095569b1a39b5fd437a60764e [0,2,0,0,0,0|2,0,0]=4 10623 B13R0.188 C=C(C)CCCOC(C)CCCCC ae19ba2ecaae0c63a0343b3d60084033 [0,2,0,0,0,0|2,0,0]=4 10624 B13R0.188 C=C(C)CCCO[C@@H](C)CCCCC 05258e618e0401e8639c5b666184f488 [0,2,0,0,0,0|2,0,0]=4 10625 B13R0.188 C=C(C)CCCO[C@H](C)CCCCC 162ec7dadd75466b6ca72c30a39ad481 [0,2,0,0,0,0|2,0,0]=4 10626 B13R0.188 C=C(C)CCOCC(C)CCCCC 67c1343bf48db171ed27b334498aa799 [0,2,0,0,0,0|2,0,0]=4 10627 B13R0.188 C=CCCCN(C)CCCCC(=O)O 863bd406579c8d1f23e1a47372ce7681 [0,2,0,0,0,0|0,0,2]=4 10628 B13R0.188 C=CCCC[C@H](C)OCCCC(=O)O 8fcc281bd09f34c00fec4edc1b8fd2a8 [0,2,0,0,0,0|0,0,2]=4 10629 B13R0.188 CC(=O)CCCCN(C)CCCCO 70b8ba12b56375e0cd77c5f35f3a1e06 [0,2,0,0,0,0|2,0,0]=4 10630 B13R0.188 CC(CCCCO)NCCCC(=O)N 1e8832fef9de438ee08919bd4010894e [0,2,0,0,0,0|2,0,0]=4 10631 B13R0.188 CC(CCCCO)NCCCC(=O)O a726a535697da378eca5c5f4a9f3249f [0,2,0,0,0,0|1,0,0]=3 10632 B13R0.188 CC/C=C/CN(C)CCCCC(=O)O 80820f9d775a2e85002117ed2b79ee9d [0,2,0,0,0,0|0,0,2]=4 10633 B13R0.188 CCCCCC(=O)CNCCC(=O)N c0b3a91670560ae7bdd52f9e80128a87 [0,2,0,0,0,0|1,0,1]=4 10634 B13R0.188 CCCCCC(=O)CNCCC(=O)O 7ba158a6b1f6609b602ff041f7726f2b [0,2,0,0,0,0|0,0,1]=3 10635 B13R0.188 CCCCCC(=O)CNCCS(=O)O 410cadf7fd3ba644a955d1f1bd82c647 [0,2,0,0,0,0|1,0,1]=4 10636 B13R0.188 CCCCCC(=O)COCCC(=O)C d6646dd591e7e0ffba79ae12890765ea [0,2,0,0,0,0|1,0,1]=4 10637 B13R0.188 CCCCCC(=O)COCCC(=O)N 3414bccba296c91198baf6ce7a62c4a2 [0,2,0,0,0,0|1,0,1]=4 10638 B13R0.188 CCCCCC(=O)COCCC(=O)O 57e3799ae92f2b468b567aae0cdc20f2 [0,2,0,0,0,0|0,0,1]=3 10639 B13R0.188 CCCCCC(=O)NCCCC(=O)N 910f4392015a1216dacfa50fb39bb13c [0,2,0,0,0,0|1,0,1]=4 10640 B13R0.188 CCCCCC(C)COCCC(=O)C c5006be8bd236b047129ff716c443988 [0,2,0,0,0,0|1,0,0]=3 10641 B13R0.188 CCCCCC(C)COCCC(=O)N 1f6e835459c0e0b74b02879a2dbde491 [0,2,0,0,0,0|1,0,0]=3 10642 B13R0.188 CCCCCC(C)COCCC(=O)O f2dcde8cd3125b9901e3d41fcd39a123 [0,2,0,0,0,0|0,0,0]=2 10643 B13R0.188 CCCCCC(C)COCCS(=O)C cda888b2ab69a4313399914a60d7f7db [0,2,0,0,0,0|2,0,0]=4 10644 B13R0.188 CCCCCC(C)COCOC(=O)C ef294ad2c6c933ccf0770b0b3f26489a [0,2,0,0,0,0|2,0,0]=4 10645 B13R0.188 CCCCCC(C)COCSC(=O)N 3851374f7c56b4464c0f7d8b67dd1f72 [0,2,0,0,0,0|2,0,0]=4 10646 B13R0.188 CCCCCC(C)NC/C=C/C(=O)O 27a5799a7c5182c6cb1f71d3c8bc3de1 [0,2,0,0,0,0|0,0,2]=4 10647 B13R0.188 CCCCCC(C)NCC#CC(=O)O 4e37fc5625d53e5d44e7820f0c488587 [0,2,0,0,0,0|0,0,2]=4 10648 B13R0.188 CCCCCC(C)NCC=CC(=O)O c7d7c1e1ad774a6ff8b25847fc4179b1 [0,2,0,0,0,0|0,0,2]=4 10649 B13R0.188 CCCCCC(C)NCCCC(=O)C 4a264ab245e959da91842ea191bca009 [0,2,0,0,0,0|1,0,0]=3 10650 B13R0.188 CCCCCC(C)NCCCC(=O)N 02e4ad0b0aaf7f7f6f174105edc55d04 [0,2,0,0,0,0|1,0,0]=3 10651 B13R0.188 CCCCCC(C)NCCCC(C)O 435d730e867452fe5dc8ca32f82ec98f [0,2,0,0,0,0|1,0,1]=4 10652 B13R0.188 CCCCCC(C)NCCC[N+](=O)[O-] 55b170be9c752b824ce61bda35d989f7 [0,2,0,0,0,0|1,0,1]=4 10653 B13R0.188 CCCCCC(C)NCCNC(=O)C 6e04d52aaca54259915f845b2025db40 [0,2,0,0,0,0|2,0,0]=4 10654 B13R0.188 CCCCCC(C)NCCNC(=O)N 851d9fcfdc08affceb3c7427e63a0637 [0,2,0,0,0,0|2,0,0]=4 10655 B13R0.188 CCCCCC(C)NCCOC(=O)C 4e636787bf28e45c9634bd98d78b39b7 [0,2,0,0,0,0|2,0,0]=4 10656 B13R0.188 CCCCCC(C)NCCSC(=O)C aff8412f6a77d9dabcf92e2c4c7196eb [0,2,0,0,0,0|2,0,0]=4 10657 B13R0.188 CCCCCC(C)OC/C=C/C(=O)O 1862d0c97c240c7c9c8e67211c616070 [0,2,0,0,0,0|0,0,2]=4 10658 B13R0.188 CCCCCC(C)OCC=CC(=O)O 222eae13a3419ed70ef6fffd4509206f [0,2,0,0,0,0|0,0,2]=4 10659 B13R0.188 CCCCCC(C)OCCCC(=O)C 81ec1aebbe304cfde3bce7cedbc12885 [0,2,0,0,0,0|1,0,0]=3 10660 B13R0.188 CCCCCC(C)OCCCC(=O)N d521f02973c39d52691b3fe3b0aa3ada [0,2,0,0,0,0|1,0,0]=3 10661 B13R0.188 CCCCCC(C)OCCC[N+](=O)[O-] 0b70af46a9d09851da7650694aff3034 [0,2,0,0,0,0|1,0,1]=4 10662 B13R0.188 CCCCCC(C)OCCNC(=O)C e9ab4c41dd8d741a2ce3e466b6b1bd0d [0,2,0,0,0,0|2,0,0]=4 10663 B13R0.188 CCCCCC(C)OCCNC(=O)N 81c41511b7edd220c005cca1c565117a [0,2,0,0,0,0|2,0,0]=4 10664 B13R0.188 CCCCCC(C)OCCOC(=O)C 2aeb221a963973c2ecffa1feb1856d9f [0,2,0,0,0,0|2,0,0]=4 10665 B13R0.188 CCCCCC(C)OCCSC(=O)C e60f4b0d94a7f034070f8196ec5a4b64 [0,2,0,0,0,0|2,0,0]=4 10666 B13R0.188 CCCCCN(C)CCCCC(=O)C aa879f4ee91eba680cc5f938e7fac91b [0,2,0,0,0,0|1,0,0]=3 10667 B13R0.188 CCCCCN(C)CCCCC(=O)N f3ccc22b054b3e928916062a6659611d [0,2,0,0,0,0|1,0,0]=3 10668 B13R0.188 CCCCCN(C)CCCCC(=O)O 5a6fba36257fb22c191571da0a40ce25 [0,2,0,0,0,0|0,0,0]=2 10669 B13R0.188 CCCCCN(C)CCCCC(C)O 1a7c7a6d5986970eeb8d36b9e8ee7eeb [0,2,0,0,0,0|1,0,1]=4 10670 B13R0.188 CCCCCN(C)CCCC[C@@H](C)O da758c54b01bb7173f0ad855a9e8d25e [0,2,0,0,0,0|1,0,1]=4 10671 B13R0.188 CCCCCN(C)CCCNC(=O)C af429843074f361076081c1be1356709 [0,2,0,0,0,0|2,0,0]=4 10672 B13R0.188 CCCCCN(C)CCCOC(=O)C f56e92dbfe7c2d9c54402e630bfa7b93 [0,2,0,0,0,0|2,0,0]=4 10673 B13R0.188 CCCCCN(C)CCCSC(=O)C 66595d3df17387a6acc111035686f806 [0,2,0,0,0,0|2,0,0]=4 10674 B13R0.188 CCCCCN(C)CCOCC(=O)N ce3b8fe741474943ad233b0625fa2deb [0,2,0,0,0,0|2,0,0]=4 10675 B13R0.188 CCCCC[C@@H](C)OC/C=C/C(=O)O 25a8d9a7f120052c048505ad8692af2a [0,2,0,0,0,0|0,0,2]=4 10676 B13R0.188 CCCCC[C@@H](C)OCC=CC(=O)O 498a3269b1e37a71f83465df815c153e [0,2,0,0,0,0|0,0,2]=4 10677 B13R0.188 CCCCC[C@@H](C)OCCCC(=O)C 9cb388bd451b42f8bcf7630d45874f48 [0,2,0,0,0,0|1,0,0]=3 10678 B13R0.188 CCCCC[C@@H](C)OCCCC(=O)N 30421d17f32bd4b13d98a81054ebee5a [0,2,0,0,0,0|1,0,0]=3 10679 B13R0.188 CCCCC[C@@H](C)OCCC[N+](=O)[O-] 4dade65301bd5201d452bb29c6782818 [0,2,0,0,0,0|1,0,1]=4 10680 B13R0.188 CCCCC[C@@H](C)OCCNC(=O)C 5eb266131aa9d5a29f878a07864c4341 [0,2,0,0,0,0|2,0,0]=4 10681 B13R0.188 CCCCC[C@@H](C)OCCNC(=O)N b77efe0bce38854867a02c241faf1d74 [0,2,0,0,0,0|2,0,0]=4 10682 B13R0.188 CCCCC[C@@H](C)OCCOC(=O)C 1b89150313e6306ea1953cbb924bc802 [0,2,0,0,0,0|2,0,0]=4 10683 B13R0.188 CCCCC[C@@H](C)OCCSC(=O)C 56dc14fb33eb49cff444bafc0bbf7915 [0,2,0,0,0,0|2,0,0]=4 10684 B13R0.188 CCCCC[C@H](C)NC/C=C/C(=O)O 8f02ae160b21720bbb7aa40c4d6ffe6e [0,2,0,0,0,0|0,0,2]=4 10685 B13R0.188 CCCCC[C@H](C)NCC#CC(=O)O 06529c4e7eb6edfcde56e821a4cc6d7d [0,2,0,0,0,0|0,0,2]=4 10686 B13R0.188 CCCCC[C@H](C)NCC=CC(=O)O dc06244db35aec73c6a007a08e99e761 [0,2,0,0,0,0|0,0,2]=4 10687 B13R0.188 CCCCC[C@H](C)NCCCC(=O)C 4229a4e438cc2911bbe908f02b71616e [0,2,0,0,0,0|1,0,0]=3 10688 B13R0.188 CCCCC[C@H](C)NCCCC(=O)N 113839df9449ccc5462850972667e1ae [0,2,0,0,0,0|1,0,0]=3 10689 B13R0.188 CCCCC[C@H](C)NCCCC(C)O 86340c4cf6e1407a5f2320079af5d86b [0,2,0,0,0,0|1,0,1]=4 10690 B13R0.188 CCCCC[C@H](C)NCCCS(=O)C 45d753f133b3be47c9c69851f365d781 [0,2,0,0,0,0|2,0,0]=4 10691 B13R0.188 CCCCC[C@H](C)NCCC[N+](=O)[O-] 94d3f5f0fcd1f263c61e8da5d0f21611 [0,2,0,0,0,0|1,0,1]=4 10692 B13R0.188 CCCCC[C@H](C)NCCNC(=O)C 1c1c17b3c0cc0dd037ba60d6ad343e0b [0,2,0,0,0,0|2,0,0]=4 10693 B13R0.188 CCCCC[C@H](C)NCCNC(=O)N 4a05448e0aae3c0c8878c9638e11981a [0,2,0,0,0,0|2,0,0]=4 10694 B13R0.188 CCCCC[C@H](C)NCCOC(=O)C 63b0175b6cfefea7e2b1af436fa6458b [0,2,0,0,0,0|2,0,0]=4 10695 B13R0.188 CCCCC[C@H](C)NCCSC(=O)C 6367a3d5b5f11bbebaaef17e7db6bf8a [0,2,0,0,0,0|2,0,0]=4 10696 B13R0.188 CCCCC[C@H](C)OC/C=C/C(=O)O 16b90939ad1f288e3dcd2274f9fb97bf [0,2,0,0,0,0|0,0,2]=4 10697 B13R0.188 CCCCC[C@H](C)OCC=CC(=O)O 4e9d760eea3bb71671930852e1e382a9 [0,2,0,0,0,0|0,0,2]=4 10698 B13R0.188 CCCCC[C@H](C)OCCCC(=O)C cb63b0ee494983df2acf55692a72ca6b [0,2,0,0,0,0|1,0,0]=3 10699 B13R0.188 CCCCC[C@H](C)OCCCC(=O)N c691e672580068b998564ff3a83397ec [0,2,0,0,0,0|1,0,0]=3 10700 B13R0.188 CCCCC[C@H](C)OCCC[N+](=O)[O-] 172a3554964f4274c72b1a62142b59c6 [0,2,0,0,0,0|1,0,1]=4 10701 B13R0.188 CCCCC[C@H](C)OCCNC(=O)C 23d1816ad87d553252ffe82299e657f7 [0,2,0,0,0,0|2,0,0]=4 10702 B13R0.188 CCCCC[C@H](C)OCCNC(=O)N ac092ce6be30eacd322371d690ee1176 [0,2,0,0,0,0|2,0,0]=4 10703 B13R0.188 CCCCC[C@H](C)OCCOC(=O)C b05d3bd550f4d48463f69c68f3b5511f [0,2,0,0,0,0|2,0,0]=4 10704 B13R0.188 CCCCC[C@H](C)OCCSC(=O)C 55277cc1ebab8e9c5155e1c8986321af [0,2,0,0,0,0|2,0,0]=4 10705 B13R0.188 CCCCNC(=O)CCCCC(=O)C 6c35ad9e5aea56ad9e8b41b4c06941a6 [0,2,0,0,0,0|1,0,1]=4 10706 B13R0.188 CCCCNC(=O)CCCCC(=O)N a2d2532fabfde63ee9eb3cb48ea49522 [0,2,0,0,0,0|1,0,1]=4 10707 B13R0.188 CCCCNC(=O)CNCCC(=O)O c22e27021f5e6a5a21181dcf060801d0 [0,2,0,0,0,0|1,0,1]=4 10708 B13R0.188 CCCCNC(=O)COCCC(=O)O 598e166d2c7b6200aa54eea2b6683845 [0,2,0,0,0,0|1,0,1]=4 10709 B13R0.188 CCCCNC(=O)NCCCC(=O)O 297c9f890cef80acb13f6e0d054b04de [0,2,0,0,0,0|1,0,1]=4 10710 B13R0.188 CCCCNC(=S)NCCCC(=O)O 76cc3702fd356f7667c27a004057a2fb [0,2,0,0,0,0|1,0,1]=4 10711 B13R0.188 CCCCOC(=O)CNCCC(=O)O 74cb4d31f96dfd3d42c4fd228cb2084c [0,2,0,0,0,0|1,0,1]=4 10712 B13R0.188 CCCCOC(=O)COCCC(=O)O 4679cc664bba76dedff9e5e2e6a3ae55 [0,2,0,0,0,0|1,0,1]=4 10713 B13R0.188 CCCNCC(=O)NCCCC(=O)O dca6c1553bca1d5e2a64fe6fb8a5b541 [0,2,0,0,0,0|1,0,1]=4 10714 B13R0.188 CCCOCC(C)COCCC(=O)C 6d226cf5e6328c7da3a795d6f6e2cba4 [0,2,0,0,0,0|2,0,0]=4 10715 B13R0.188 CCCOCC(C)COCCC(=O)N 23db0d94b480323461e724d17308c96e [0,2,0,0,0,0|2,0,0]=4 10716 B13R0.188 CCCOCC(C)OCCCC(=O)C 468efa30aef576815a1624e89d0c8b02 [0,2,0,0,0,0|2,0,0]=4 10717 B13R0.188 CCCOCC(C)OCCCC(=O)N 31f1f5dd38d7d1dbb3464d7ff8b89227 [0,2,0,0,0,0|2,0,0]=4 10718 B13R0.188 CCOCCN(C)CCCCC(=O)C 1e926db57253af832c85e88def539643 [0,2,0,0,0,0|2,0,0]=4 10719 B13R0.188 CCOCCN(C)CCCCC(=O)N 59153c5c5897f2b5ebfe46d1dda5e7ae [0,2,0,0,0,0|2,0,0]=4 10720 B13R0.188 CCOCCN(C)CCCCC(=O)O 9d489eb992cb120d5e49354390f57748 [0,2,0,0,0,0|1,0,0]=3 10721 B13R0.188 CCSCCN(C)CCCCC(=O)O 132c929596699e78338f1971bd2ae751 [0,2,0,0,0,0|1,0,0]=3 10722 B13R0.188 CN(CCCC#N)CCCCC(=O)O 548df6f1eb3f8e867592cc9e4e3068ff [0,2,0,0,0,0|1,0,1]=4 10723 B13R0.188 CN(CCCC=O)CCCCC(=O)O 8e396b58ca83ef012e3300ecbe504a14 [0,2,0,0,0,0|1,0,1]=4 10724 B13R0.188 CN(CCCCF)CCCCC(=O)O c2a1258eaf8c677c4ed8455e2e3ce0b6 [0,2,0,0,0,0|1,0,0]=3 10725 B13R0.188 CN(CCCCO)CCCCC(=O)N 3e81f55bf4172dfccc3b4f914638d803 [0,2,0,0,0,0|2,0,0]=4 10726 B13R0.188 CN(CCCCO)CCCCC(=O)O d742991c6d4b4c477a1f1f86a978af30 [0,2,0,0,0,0|1,0,0]=3 10727 B13R0.188 COCCCN(C)CCCCC(=O)C a02bf7150e03687a0c6bdfd6ffc22344 [0,2,0,0,0,0|2,0,0]=4 10728 B13R0.188 COCCCN(C)CCCCC(=O)N 8866b29f06392b7af544347b764e999c [0,2,0,0,0,0|2,0,0]=4 10729 B13R0.188 COCCCN(C)CCCCC(=O)O 0658e72e234ca7cc8bd6ce61515173e8 [0,2,0,0,0,0|1,0,0]=3 10730 B13R0.188 CSCCCN(C)CCCCC(=O)O eb13f6bf68f660b925bc804bbc7cdfd0 [0,2,0,0,0,0|1,0,0]=3 10731 B13R0.261 CC(CCO)N(C)CCCCC(=O)O 1ea701141d8df8f58b41dc2547dcc4c8 [0,2,0,0,0,0|2,0,0]=4 10732 B13R0.261 CCCC(C)N(C)CCCCC(=O)O 932fdb27da4e7615c263a370249737f9 [0,2,0,0,0,0|1,0,0]=3 10733 B13R0.261 COCC(C)N(C)CCCCC(=O)O 1f83b4a4a5937842ddb87bffbaaa31e9 [0,2,0,0,0,0|2,0,0]=4 10734 B13R0.300 C#CC(CCCC)OCCCC(=O)C ea2898fa225f4f0e9647c23773270dcc [0,2,0,0,0,0|2,0,0]=4 10735 B13R0.300 C#CC(CCCC)OCCCC(=O)N 8e7dfe21e4e6af87edbd10e64dd8cd0e [0,2,0,0,0,0|2,0,0]=4 10736 B13R0.300 C=CC(CCCC)OCCCC(=O)C e1df8559f37d80def6a2fd7c3b9e500d [0,2,0,0,0,0|2,0,0]=4 10737 B13R0.300 C=CC(CCCC)OCCCC(=O)N 11cbe89e94d43646e8a0b9e217a68d22 [0,2,0,0,0,0|2,0,0]=4 10738 B13R0.300 CCCCC(CC)CCOCC(=O)N 799e53397f0a137ba25647bff1999bf2 [0,2,0,0,0,0|2,0,0]=4 10739 B13R0.300 CCCCC(CC)CCOCC(=O)O 9b619576616c59840590523f5b70f714 [0,2,0,0,0,0|1,0,0]=3 10740 B13R0.300 CCCCC(CC)CNCCC(=O)C 88f89c4161d386cc2c231f2df2f93616 [0,2,0,0,0,0|2,0,0]=4 10741 B13R0.300 CCCCC(CC)CNCCC(=O)N fad82bca8434beeb9bef0d5d75b9f811 [0,2,0,0,0,0|2,0,0]=4 10742 B13R0.300 CCCCC(CC)CNCCC(=O)O 9757fc8d317d22be3c6bbe74fc517f9d [0,2,0,0,0,0|1,0,0]=3 10743 B13R0.300 CCCCC(CC)CNCCS(=O)O 9f851418dacbc280cf27a21f96a14162 [0,2,0,0,0,0|2,0,0]=4 10744 B13R0.300 CCCCC(CC)COCCC(=O)C 012001c43047fbdd0fe8c75d85e19480 [0,2,0,0,0,0|2,0,0]=4 10745 B13R0.300 CCCCC(CC)COCCC(=O)N 72f5be95b3167eb924b28871c977401e [0,2,0,0,0,0|2,0,0]=4 10746 B13R0.300 CCCCC(CC)COCCC(=O)O bb9caaa832d8d1621d8127944429c89d [0,2,0,0,0,0|1,0,0]=3 10747 B13R0.300 CCCCC(CC)NCCCC(=O)N 60988787464ed86b59c47e80075d4e03 [0,2,0,0,0,0|2,0,0]=4 10748 B13R0.300 CCCCC(CC)OCCCC(=O)C 39b24d3f0fa09300941eb7c9b8653df4 [0,2,0,0,0,0|2,0,0]=4 10749 B13R0.300 CCCCC(CC)OCCCC(=O)N dda48d3008652e91ca075937f1c07c96 [0,2,0,0,0,0|2,0,0]=4 10750 B13R0.300 CCCCC(CO)NCCCC(=O)C f4d687c3ff97eee46f673a25b8f2330e [0,2,0,0,0,0|2,0,0]=4 10751 B13R0.300 CCCCC(CO)NCCCC(=O)N 6c13587a5b8e170b8c22ae423a6e523e [0,2,0,0,0,0|2,0,0]=4 10752 B13R0.300 CCCCC(CO)NCCCC(=O)O e344a2c513ef2251cab72e0889c9495d [0,2,0,0,0,0|1,0,0]=3 10753 B13R0.300 CCCCN(CC)CCCCC(=O)C a9fc25173da3bffff03be7532a9a7766 [0,2,0,0,0,0|2,0,0]=4 10754 B13R0.300 CCCCN(CC)CCNCC(=O)O 17a3b8fd79bde3042567d2b9a6b62352 [0,2,0,0,0,0|2,0,0]=4 10755 B13R0.300 CCCC[C@@H](CC)CNCCC(=O)N 59f859cbe7eb4584c6e742a1b3c8b510 [0,2,0,0,0,0|2,0,0]=4 10756 B13R0.300 CCCC[C@@H](CC)CNCCC(=O)O d9007c1c466fa36e2256b7630ae89e04 [0,2,0,0,0,0|1,0,0]=3 10757 B13R0.300 CCCC[C@@H](CC)CNCCS(=O)O b34c8f40ec841018233d59aee43b047f [0,2,0,0,0,0|2,0,0]=4 10758 B13R0.300 CCCC[C@@H](CC)COCCC(=O)C 81fd939b24f4e719856bdb8c2a013fe4 [0,2,0,0,0,0|2,0,0]=4 10759 B13R0.300 CCCC[C@@H](CC)COCCC(=O)N b656adf916d79d1bf48bfc9cc6861c19 [0,2,0,0,0,0|2,0,0]=4 10760 B13R0.300 CCCC[C@@H](CC)COCCC(=O)O 084cdea4e503e762087ed884a5b2c8ba [0,2,0,0,0,0|1,0,0]=3 10761 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)C db23b45fe3da156a0ae694ca32b9547b [0,2,0,0,0,0|2,0,0]=4 10762 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)N 1bfae4e071f257397ca0009e730693e3 [0,2,0,0,0,0|2,0,0]=4 10763 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)O 7770e9693ced55052973e8cb9927a1ba [0,2,0,0,0,0|1,0,0]=3 10764 B13R0.300 CCCC[C@H](CO)NCCCC(=O)C 6c8725ea4947acb6852fb77a0aa59d23 [0,2,0,0,0,0|2,0,0]=4 10765 B13R0.300 CCCC[C@H](CO)NCCCC(=O)N f62b43a32b80a5a645295504b83bb1e4 [0,2,0,0,0,0|2,0,0]=4 10766 B13R0.300 CCCC[C@H](CO)NCCCC(=O)O d2b22b43b297b9d9072934a23f5fb70a [0,2,0,0,0,0|1,0,0]=3 10767 B13R0.300 CSCCC(CO)CNCCC(=O)O 1dc2a06da91aa2176d44d076499147e4 [0,2,0,0,0,0|2,0,0]=4 10768 B13R0.300 CSCCC(CO)NCCCC(=O)O 55ccf5d607a4aa65c9a03c90a6fc4f00 [0,2,0,0,0,0|2,0,0]=4 10769 B13R0.300 CSCC[C@@H](CO)NCCCC(=O)O 80437f752eae944a028fff3842aa72d2 [0,2,0,0,0,0|2,0,0]=4 10770 B13R0.300 CSCC[C@H](CO)NCCCC(=O)O 2be8bec794714a363735fd975adab0ff [0,2,0,0,0,0|2,0,0]=4 10771 B13R0.300 O=C(O)CCCNC(CO)CCCO 8fde98cb507f7700624fd31337b4cb38 [0,2,0,0,0,0|2,0,0]=4 10772 B13R0.345 CC(CCCO)N(C)CCCC(=O)O 079c9aacf03c4798b9aa6ae80eb4c6c6 [0,2,0,0,0,0|2,0,0]=4 10773 B13R0.345 CCCCC(C)N(C)CCCC(=O)N dd0f24c70d1ab2ba7710181a502a2593 [0,2,0,0,0,0|2,0,0]=4 10774 B13R0.345 CCCCC(C)N(C)CCCC(=O)O 8e299b022afefc65314140a38b4469f1 [0,2,0,0,0,0|1,0,0]=3 10775 B13R0.456 CC(C)(CCCO)NCCCC(=O)O efb0672f07dcd2de6d2c1bc01589303f [0,2,0,0,0,0|2,0,0]=4 10776 B13R0.456 CCOCC(C)(C)CNCCC(=O)O 647b6ca3c626fc3532daed471c4d1cab [0,2,0,0,0,0|2,0,0]=4 10777 B13R0.456 CSCCC(C)(C)NCCCC(=O)O 5e911ed439259bf75fca4b38cef6087f [0,2,0,0,0,0|2,0,0]=4 10778 B13R0.21 CCCC(C)CCCOCS(=O)(=O)O 64ab6326c87c949312970eac92e30a5a [0,2,0,0,0,0|2,0,0]=4 10779 B13R0.21 CCCC(C)CCOCCS(=O)(=O)O 2ddaf22e50d5e33ff7dcd97904269b93 [0,2,0,0,0,0|2,0,0]=4 10780 B13R0.21 CCCC(C)CNCCCS(=O)(=O)O ea9a462284c99eafb8395ff67e10de5e [0,2,0,0,0,0|2,0,0]=4 10781 B13R0.21 CCCC(C)COCCCS(=O)(=O)O afe4fbcc6c920e25341f222a93b5d959 [0,2,0,0,0,0|2,0,0]=4 10782 B13R0.21 CCCC(C)NCCCCS(=O)(=O)O 04d604d716f3d7662c3be497736cefc9 [0,2,0,0,0,0|2,0,0]=4 10783 B13R0.21 CCCC(C)OCCCCS(=O)(=O)O 685c996c8017bd334c7424c4e352f0d4 [0,2,0,0,0,0|2,0,0]=4 10784 B13R0.21 CCCC(O)CNCCCS(=O)(=O)O 51b1c81f45b918831c0dc0cdd9221429 [0,2,0,0,0,0|2,0,0]=4 10785 B13R0.21 CCCC(S)CCOCCS(=O)(=O)O d8f2c4efc33d6151f4e1dd078bc92e24 [0,2,0,0,0,0|2,0,0]=4 10786 B13R0.21 CCC[C@@H](C)OCCCCS(=O)(=O)O 6e9d02d92054902931e21c6d70cd8705 [0,2,0,0,0,0|2,0,0]=4 10787 B13R0.21 CCC[C@H](C)NCCCCS(=O)(=O)O 83dae90a5087e8c4d754b5010633e1bf [0,2,0,0,0,0|2,0,0]=4 10788 B13R0.21 CCC[C@H](C)OCCCCS(=O)(=O)O d915e583a2e55c5d5a7ebe859da70eb1 [0,2,0,0,0,0|2,0,0]=4 10789 B13R0.196 CCCCCC(C)NCCS(=O)(=O)O d2b76c9bb063e2ea438d61967820c762 [0,2,0,0,0,0|2,0,0]=4 10790 B13R0.196 CCCCCC(C)OCCS(=O)(=O)O 54055e8d5eb12262760a4add20eaaa07 [0,2,0,0,0,0|2,0,0]=4 10791 B13R0.196 CCCCCN(C)CCCS(=O)(=O)O eb4532527331c8643396117590fd4792 [0,2,0,0,0,0|2,0,0]=4 10792 B13R0.196 CCCCC[C@@H](C)OCCS(=O)(=O)O cca4a8a90068df0e58ed313333d671ff [0,2,0,0,0,0|2,0,0]=4 10793 B13R0.196 CCCCC[C@H](C)NCCS(=O)(=O)O 130316dfce1955876204c362c7fc2d8a [0,2,0,0,0,0|2,0,0]=4 10794 B13R0.196 CCCCC[C@H](C)OCCS(=O)(=O)O a6bd228456093337e3f55c88dab10bec [0,2,0,0,0,0|2,0,0]=4 10795 B13R0.280 CCCCCCCCNCC(C)(C)O b823aedfe3a06bcead5007a02eefc446 [0,2,0,0,0,0|1,0,1]=4 10796 B13R0.280 CCCCCCCCNCS(=O)(=O)C e1356bfc3ae91ddc65782eb446589f31 [0,2,0,0,0,0|1,0,1]=4 10797 B13R0.280 CCCCCCCCNCS(=O)(=O)O d8c0b4a5521d2aa291ac72d97731b016 [0,2,0,0,0,0|1,0,0]=3 10798 B13R0.280 CCCCCCCCOCC(C)(C)O 05f812bc8feaf8cd3631590e581a5767 [0,2,0,0,0,0|1,0,1]=4 10799 B13R0.280 CCCCCCCCOCS(=O)(=O)C 0d85376fa8e2f303797dabaf1735650e [0,2,0,0,0,0|1,0,1]=4 10800 B13R0.280 CCCCCCCNCCC(C)(C)O 57bc6092ec6a93831b9ad62deebee423 [0,2,0,0,0,0|1,0,1]=4 10801 B13R0.280 CCCCCCCNCCS(=O)(=O)C bd04dc045bfe90b3b5ff29845b07692b [0,2,0,0,0,0|1,0,1]=4 10802 B13R0.280 CCCCCCCNCCS(=O)(=O)N 031967ff0791787a663a6f5753f5c65b [0,2,0,0,0,0|1,0,1]=4 10803 B13R0.280 CCCCCCCNCCS(=O)(=O)O a06097f2d7b51e6e9916dec4c134c5cc [0,2,0,0,0,0|1,0,0]=3 10804 B13R0.280 CCCCCCCOCCC(C)(C)O d09f2b6260a0b4e27b1f5a3eb8752d4e [0,2,0,0,0,0|1,0,1]=4 10805 B13R0.280 CCCCCCCOCCS(=N)(=O)C 639331fdd219b56ba292c4806131b13c [0,2,0,0,0,0|2,0,0]=4 10806 B13R0.280 CCCCCCCOCCS(=O)(=O)C 1feb6f99d3efb18dc412ed30703b6430 [0,2,0,0,0,0|1,0,1]=4 10807 B13R0.280 CCCCCCCOCCS(=O)(=O)N 355bf23c3c798d749037beaaed088b00 [0,2,0,0,0,0|1,0,1]=4 10808 B13R0.280 CCCCCCCOCCS(=O)(=O)O 42e4b925ff28c28a42b7cef7c01f6878 [0,2,0,0,0,0|1,0,0]=3 10809 B13R0.280 CCCCCCNCCCC(C)(C)O b84aadd2ff75fc260b1a083ff003cb34 [0,2,0,0,0,0|1,0,1]=4 10810 B13R0.280 CCCCCCNCCCS(=O)(=O)C c6b56f53381e6e9c487d34a19a4df0c7 [0,2,0,0,0,0|1,0,1]=4 10811 B13R0.280 CCCCCCNCCCS(=O)(=O)O 860a2ebd5cdead679b955bca9322fd5f [0,2,0,0,0,0|1,0,0]=3 10812 B13R0.280 CCCCCCNCCOS(=O)(=O)O 8e7db2ef55054dd05f70d6ec3ee596e8 [0,2,0,0,0,0|2,0,0]=4 10813 B13R0.280 CCCCCCOCCCC(C)(C)O b58743f368a8c9bf6d9a84ea2b992cc1 [0,2,0,0,0,0|1,0,1]=4 10814 B13R0.280 CCCCCCOCCCS(=O)(=O)C cbe641c1ae7aad54714daab4625fb65c [0,2,0,0,0,0|1,0,1]=4 10815 B13R0.280 CCCCCCOCCCS(=O)(=O)N 318f35ec68e36e73fe61e69367e4f121 [0,2,0,0,0,0|1,0,1]=4 10816 B13R0.280 CCCCCCOCCCS(=O)(=O)O 6443dd85832602e8558d2a2db8629288 [0,2,0,0,0,0|1,0,0]=3 10817 B13R0.280 CCCCCNCCCCS(=O)(=O)C 131ae9df9233cefcaf177b0cba68e6a1 [0,2,0,0,0,0|1,0,1]=4 10818 B13R0.280 CCCCCNCCCCS(=O)(=O)O 145a283a50652bbeeb0eaf407a95f534 [0,2,0,0,0,0|1,0,0]=3 10819 B13R0.280 CCCCCOCCCCS(=O)(=O)C 0ea20e0c1995170abef826d9002a35c7 [0,2,0,0,0,0|1,0,1]=4 10820 B13R0.280 CCCCCOCCCCS(=O)(=O)O 44e5d49dfbe52ed44d1b5bc9d794a76d [0,2,0,0,0,0|1,0,0]=3 10821 B13R0.280 CCCCCOCCCNS(=O)(=O)O e8407d08cedf10593faa9a12078864f0 [0,2,0,0,0,0|2,0,0]=4 10822 B13R0.280 CCCCNCCCCCC(C)(C)O 8b9b710f8920f31f077119d0cc43d94f [0,2,0,0,0,0|1,0,1]=4 10823 B13R0.280 CCCCNCCCCCS(=O)(=O)O 1d388cb022142de9404757eb95368851 [0,2,0,0,0,0|1,0,0]=3 10824 B13R0.280 CCCCOCCCCCC(C)(C)O 523e2f4cf5bc1b2db4fdf027f9e1cf4f [0,2,0,0,0,0|1,0,1]=4 10825 B13R0.280 CCCCOCCCNCS(=O)(=O)O 3c614b942a7ed76476445b564d51dc15 [0,2,0,0,0,0|2,0,0]=4 10826 B13R0.280 CCCCOCCNCCS(=O)(=O)O 2e343f92d779b5c36f6f5ed26bf3cabd [0,2,0,0,0,0|2,0,0]=4 10827 B13R0.280 CCCCOCCOCCS(=O)(=O)O 7e155de804608531b96aae58d051108e [0,2,0,0,0,0|2,0,0]=4 10828 B13R0.280 CCCCOCNCCCS(=O)(=O)O c4b3b0abec6bddbae5743d1d6485f649 [0,2,0,0,0,0|2,0,0]=4 10829 B13R0.280 CCCCOCOCCCS(=O)(=O)O efe3b9bd2c8c01191706f99905177b70 [0,2,0,0,0,0|2,0,0]=4 10830 B13R0.280 CCCCSCCOCCS(=O)(=O)O 4fedd7c0006c83587950addba40bfe03 [0,2,0,0,0,0|2,0,0]=4 10831 B13R0.280 CCCNCCCCCCS(=O)(=O)O ea38ebb76882f9a713f19dc96de62c07 [0,2,0,0,0,0|1,0,0]=3 10832 B13R0.280 CCCOCCCNCCS(=O)(=O)O cd11f5fab6b30d88d07cfbf8a248108e [0,2,0,0,0,0|2,0,0]=4 10833 B13R0.280 CCCOCCCOCCS(=O)(=O)O c9145f85ea5a1699e00e54623e364bb8 [0,2,0,0,0,0|2,0,0]=4 10834 B13R0.280 CCCOCCNCCCS(=O)(=O)O 855b907e52f2aa81d1806790151ca5f9 [0,2,0,0,0,0|2,0,0]=4 10835 B13R0.280 CCCOCCOCCCS(=O)(=O)O 3a6a00af624148c869483ab3b57730d0 [0,2,0,0,0,0|2,0,0]=4 10836 B13R0.280 CCCSCCCCNCS(=O)(=O)O 77ee2105a580cbe294202b13669a3202 [0,2,0,0,0,0|2,0,0]=4 10837 B13R0.280 CCCSCCOCCCS(=O)(=O)O b2acaaa075bb62f7894535da240eb277 [0,2,0,0,0,0|2,0,0]=4 10838 B13R0.280 CCOCCCNCCCS(=O)(=O)O 5207669a3e8b4cdb295eaa6913daf891 [0,2,0,0,0,0|2,0,0]=4 10839 B13R0.280 CCOCCCOCCCS(=O)(=O)O e4abcad364e80679632083032706f8c1 [0,2,0,0,0,0|2,0,0]=4 10840 B13R0.280 CCOCCOCCCCS(=O)(=O)O 1a4b1802953132758f97f1367dde965e [0,2,0,0,0,0|2,0,0]=4 10841 B13R0.280 CCOCNCCCCCS(=O)(=O)O aeba2dffcd6e62026f715243fd6c45b1 [0,2,0,0,0,0|2,0,0]=4 10842 B13R0.280 CCSCCCCNCCS(=O)(=O)O 1d2b39a2778a3e3d8b30c54c9e079767 [0,2,0,0,0,0|2,0,0]=4 10843 B13R0.280 CCSCCCNCCCS(=O)(=O)O be3832275e59b10963abce1195f42ac5 [0,2,0,0,0,0|2,0,0]=4 10844 B13R0.280 CCSCCCOCCCS(=O)(=O)O 8cc474f708d2e900db12783674b21e3f [0,2,0,0,0,0|2,0,0]=4 10845 B13R0.280 CCSCCNCCCCS(=O)(=O)O 3900255d20c4beb64f2d5e6ee8adbc85 [0,2,0,0,0,0|2,0,0]=4 10846 B13R0.280 CCSCCOCCCCS(=O)(=O)O 39baaed37b21a0837e6481ae19c6a035 [0,2,0,0,0,0|2,0,0]=4 10847 B13R0.280 COCCCCCCNCS(=O)(=O)O 6b8e1f069ee0ca3bb1cae17704daa32c [0,2,0,0,0,0|2,0,0]=4 10848 B13R0.280 COCCCCCCOCS(=O)(=O)O e79e46bfef05a35dae88b8debe9f7e7a [0,2,0,0,0,0|2,0,0]=4 10849 B13R0.280 COCCCCCNCCS(=O)(=O)O 1732871beb70b388846199ee463a8bed [0,2,0,0,0,0|2,0,0]=4 10850 B13R0.280 COCCCCCOCCS(=O)(=O)O 8faea7bc8b90fb8144c32d0623b4028d [0,2,0,0,0,0|2,0,0]=4 10851 B13R0.280 COCCCCNCCCS(=O)(=O)O 1db259dc44b4b2f6a1e3e27150ba3d30 [0,2,0,0,0,0|2,0,0]=4 10852 B13R0.280 COCCCCOCCCS(=O)(=O)O 500c5e36c3b98b31b484a720c64c3c2e [0,2,0,0,0,0|2,0,0]=4 10853 B13R0.280 COCCCNCCCCS(=O)(=O)O 451de16c3e31b326338e4760a2e33648 [0,2,0,0,0,0|2,0,0]=4 10854 B13R0.280 COCCCOCCCCS(=O)(=O)O 3810d760ea9cf25d1887ae2ee4181ecf [0,2,0,0,0,0|2,0,0]=4 10855 B13R0.280 COCCNCCCCCS(=O)(=O)O 8872a0227c1e26850d5cc9bf01be8da1 [0,2,0,0,0,0|2,0,0]=4 10856 B13R0.280 COCNCCCCCCS(=O)(=O)O c253734826c1a532c1d2b2633807d0fe [0,2,0,0,0,0|2,0,0]=4 10857 B13R0.280 CSCCCCNCCCS(=O)(=O)O b3b1130fec2b8ec20e4db28ab623f83c [0,2,0,0,0,0|2,0,0]=4 10858 B13R0.280 CSCCCCOCCCS(=O)(=O)O 4bacd693e5e1108b465fa65a16d4390f [0,2,0,0,0,0|2,0,0]=4 10859 B13R0.280 CSCCCNCCCCS(=O)(=O)O 88ea0cab0d843256fcc427e0e1e51ccc [0,2,0,0,0,0|2,0,0]=4 10860 B13R0.280 CSCCCOCCCCS(=O)(=O)O 3688d7dea7daa9d73ee3042e9082d182 [0,2,0,0,0,0|2,0,0]=4 10861 B13R0.280 CSCCNCCCCCS(=O)(=O)O 3dff5f5a2b3afc713703ccd4c3d5dae2 [0,2,0,0,0,0|2,0,0]=4 10862 B13R0.280 CSCNCCCCCCS(=O)(=O)O a2e5bb1790dbe2e23251637855d1132b [0,2,0,0,0,0|2,0,0]=4 10863 B13R0.280 O=S(=O)(O)CCCCCCNCCF e3a457f41b3ee513adfd1805b17c7ab3 [0,2,0,0,0,0|2,0,0]=4 10864 B13R0.280 O=S(=O)(O)CCCCCCNCCO 7227bc463dbdf4144141830138d270c6 [0,2,0,0,0,0|2,0,0]=4 10865 B13R0.280 O=S(=O)(O)CCCCCCNCCS b110b6fce1adb7bb07786be862c54be3 [0,2,0,0,0,0|2,0,0]=4 10866 B13R0.280 O=S(=O)(O)CCCCCNCCCF 26120fa98db2da15f60e8f251cc0ac22 [0,2,0,0,0,0|2,0,0]=4 10867 B13R0.280 O=S(=O)(O)CCCCCNCCCO b6447803c9d4d864d0111517b9654567 [0,2,0,0,0,0|2,0,0]=4 10868 B13R0.280 O=S(=O)(O)CCCCCNCCCS b1daa1b29d726c05b17b4a51c7ceaefe [0,2,0,0,0,0|2,0,0]=4 10869 B13R0.280 O=S(=O)(O)CCCCNCCCCCl fad273cd88f5b532d24ad6728c3d3c83 [0,2,0,0,0,0|2,0,0]=4 10870 B13R0.280 O=S(=O)(O)CCCCNCCCCO 7426a118a43080ed3f29960e78323dfd [0,2,0,0,0,0|2,0,0]=4 10871 B13R0.280 O=S(=O)(O)CCCCNCCCCS d07f89261182a7327f6239256afbc36f [0,2,0,0,0,0|2,0,0]=4 10872 B13R0.280 O=S(=O)(O)CCCCOCCCCF 8ea134e511a0c3f36bfaeb577aebc5a7 [0,2,0,0,0,0|2,0,0]=4 10873 B13R0.280 O=S(=O)(O)CCCCOCCCCS 7e9257d8404269d6804153b90ee219b7 [0,2,0,0,0,0|2,0,0]=4 10874 B13R0.280 O=S(=O)(O)CCCNCCCCCCl 7d75043e6c404e94a9380b04c2a7e254 [0,2,0,0,0,0|2,0,0]=4 10875 B13R0.280 O=S(=O)(O)CCCNCCCCCF 53d9956799b0435a604fab71138e8b33 [0,2,0,0,0,0|2,0,0]=4 10876 B13R0.280 O=S(=O)(O)CCCNCCCCCO b44bff2e872d061ccc15c0d3e6585fd6 [0,2,0,0,0,0|2,0,0]=4 10877 B13R0.280 O=S(=O)(O)CCCOCCCCCF 2334f1f8d467478cbd7a0e1e0082c339 [0,2,0,0,0,0|2,0,0]=4 10878 B13R0.280 O=S(=O)(O)CCNCCCCCCCl 17829b1a439be57454a3c8505e4e5249 [0,2,0,0,0,0|2,0,0]=4 10879 B13R0.280 O=S(=O)(O)CCNCCCCCCF ac62639b6362afef8a12548feca3fbb4 [0,2,0,0,0,0|2,0,0]=4 10880 B13R0.280 O=S(=O)(O)CCNCCCCCCO 6df97fbd793187e1b95fde9e6259caba [0,2,0,0,0,0|2,0,0]=4 10881 B13R0.280 O=S(=O)(O)CCOCCCCCCF 8126e144eb48ffa412e0bbb9a36b87aa [0,2,0,0,0,0|2,0,0]=4 10882 B13R0.280 O=S(=O)(O)CCOCCCCCCS 6600b2e51e5617a6b20a285f10a43519 [0,2,0,0,0,0|2,0,0]=4 10883 B13R0.280 O=S(=O)(O)CNCCCCCCCO 7fa90f6eaf070c4bae910c02226108b4 [0,2,0,0,0,0|2,0,0]=4 10884 B13R0.431 CCC(C)CCCCOCS(=O)(=O)O 8104f6b63d9cb11477cb49c9310b42b3 [0,2,0,0,0,0|2,0,0]=4 10885 B13R0.431 CCC(C)CCCOCCS(=O)(=O)O eaf3a19eca39c5fec3dfd7ac04f1f713 [0,2,0,0,0,0|2,0,0]=4 10886 B13R0.431 CCC(C)CCNCCCS(=O)(=O)O 98f4a06a87b0f12e63897e32da080dec [0,2,0,0,0,0|2,0,0]=4 10887 B13R0.431 CCC(C)CCOCCCS(=O)(=O)O 24311ab2fb412ae923f9c854b4ca89c9 [0,2,0,0,0,0|2,0,0]=4 10888 B13R0.431 CCC(C)CNCCCCS(=O)(=O)O 4512eb9ac6124864fe569d73ba89df06 [0,2,0,0,0,0|2,0,0]=4 10889 B13R0.431 CCC(C)COCCCCS(=O)(=O)O e201420966a03edc61b4b0524276af73 [0,2,0,0,0,0|2,0,0]=4 10890 B13R0.431 CCC(C)NCCCCCS(=O)(=O)O 244787384b79c91dd4447cef7ad90c79 [0,2,0,0,0,0|2,0,0]=4 10891 B13R0.431 CCC(O)CNCCCCS(=O)(=O)O 7153de2cd93f816ba5f44f29456f6542 [0,2,0,0,0,0|2,0,0]=4 10892 B13R0.431 CCC(S)CCOCCCS(=O)(=O)O bb319b02db54ecf37db21a579f7d50ad [0,2,0,0,0,0|2,0,0]=4 10893 B13R0.431 CC[C@@H](C)COCCCCS(=O)(=O)O 97e503cf42dc5ad5c0cb12e539e8f9d5 [0,2,0,0,0,0|2,0,0]=4 10894 B13R0.431 CC[C@@H](O)CNCCCCS(=O)(=O)O e847af4570748f89127b11f8621f5f53 [0,2,0,0,0,0|2,0,0]=4 10895 B13R0.431 CC[C@H](C)CCCCOCS(=O)(=O)O d7dd2e85196e3d1e24256a4e9840383c [0,2,0,0,0,0|2,0,0]=4 10896 B13R0.431 CC[C@H](C)CCCOCCS(=O)(=O)O 3ec3c3309df9e750719e483bf1eba9d5 [0,2,0,0,0,0|2,0,0]=4 10897 B13R0.431 CC[C@H](C)CCOCCCS(=O)(=O)O 634f2a2b3f429d0809823d7fe5a26f39 [0,2,0,0,0,0|2,0,0]=4 10898 B13R0.431 CC[C@H](C)CNCCCCS(=O)(=O)O c3abfc9fe432cc288c25c7192ac63254 [0,2,0,0,0,0|2,0,0]=4 10899 B13R0.431 CC[C@H](C)COCCCCS(=O)(=O)O dceab394b2db465c80cc7b2e7a350de0 [0,2,0,0,0,0|2,0,0]=4 10900 B13R0.442 CC(=O)CCCCCNCC(C)(C)C cbc5fbc14e748cde0a6d4ffb1850cc87 [0,2,0,0,0,0|2,0,0]=4 10901 B13R0.442 CC(=O)CCCCCNCC(C)(C)O cb485a8af226f7045032276760538cea [0,2,0,0,0,0|2,0,0]=4 10902 B13R0.442 CC(=O)CCCCCNCC(C)(F)F 1642c77bfdbeb7074bf01eb296aa6674 [0,2,0,0,0,0|2,0,0]=4 10903 B13R0.442 CC(=O)CCCCCOCC(C)(C)Br d9f6079e193f25dde1394b788d58ad62 [0,2,0,0,0,0|2,0,0]=4 10904 B13R0.442 CC(=O)CCCCCOCC(C)(C)C 4bb91c9c41dd63bba9668878f368936a [0,2,0,0,0,0|2,0,0]=4 10905 B13R0.442 CC(=O)CCCCCOCC(C)(C)F b069b3d3258e75e5397fe13ce65191ab [0,2,0,0,0,0|2,0,0]=4 10906 B13R0.442 CC(=O)CCCCCOCC(C)(C)S c527d053040abc68e8af0a709219b95c [0,2,0,0,0,0|2,0,0]=4 10907 B13R0.442 CC(=O)CCCCCOCC(C)(F)F aea8993c73fe499be528ec412952524a [0,2,0,0,0,0|2,0,0]=4 10908 B13R0.442 CC(=O)CCCCNCCC(C)(C)C 2f6e1435e58a3eefc6207599766bf7cb [0,2,0,0,0,0|2,0,0]=4 10909 B13R0.442 CC(=O)CCCCNCCC(C)(C)F 3db11080196e613e7ee54f49f84c6578 [0,2,0,0,0,0|2,0,0]=4 10910 B13R0.442 CC(=O)CCCCNCCC(C)(C)O c216d1fc4af23e65f799463490bf2542 [0,2,0,0,0,0|2,0,0]=4 10911 B13R0.442 CC(=O)CCCCOCCC(C)(C)C 92a9eebcbfbd2c11ac6fd8006b041a59 [0,2,0,0,0,0|2,0,0]=4 10912 B13R0.442 CC(=O)CCCCOCCC(C)(C)O 27d1e4880246cfb026afa958a6cc94d9 [0,2,0,0,0,0|2,0,0]=4 10913 B13R0.442 CC(=O)CCCCOCCC(C)(C)S d6c9ec7e7056b0018adb800d2d61eade [0,2,0,0,0,0|2,0,0]=4 10914 B13R0.442 CC(=O)CCCCOCCC(C)(F)F 622d146fabc799b6eb0e41b34d407d02 [0,2,0,0,0,0|2,0,0]=4 10915 B13R0.442 CC(=O)CCCNCCCC(C)(C)C 07354da41859a1c5d65ede7351b6f6f6 [0,2,0,0,0,0|2,0,0]=4 10916 B13R0.442 CC(=O)CCCNCCCC(C)(C)O 8c8f6444727287ea036c4b9cf7772252 [0,2,0,0,0,0|2,0,0]=4 10917 B13R0.442 CC(=O)CCCOCCCC(C)(C)C e736d2a21d4d8c778f68f40519d35b2b [0,2,0,0,0,0|2,0,0]=4 10918 B13R0.442 CC(=O)CCCOCCCC(C)(C)O e1e61fa19eb9c85a01569ceac6bbc8e8 [0,2,0,0,0,0|2,0,0]=4 10919 B13R0.442 CC(=O)CCCOCCCC(C)(F)F e70fe30b982e5569d7b74df984e9e6c0 [0,2,0,0,0,0|2,0,0]=4 10920 B13R0.442 CC(=O)CCOCCCCC(C)(C)C 045efaf1fd3bb2757f131c81d42f1eef [0,2,0,0,0,0|2,0,0]=4 10921 B13R0.442 CC(=O)CNCCCCCC(C)(C)O 0ee8a26b629eacd80560e66eb2ecc233 [0,2,0,0,0,0|2,0,0]=4 10922 B13R0.442 CC(=O)COCCCCCC(C)(C)O 563c9c1218f05c3a780f68d3d7ead02b [0,2,0,0,0,0|2,0,0]=4 10923 B13R0.442 CC(C)(Br)COCCCCCC(=O)N 3c41bd7534d3c13392570fa96e3101fa [0,2,0,0,0,0|2,0,0]=4 10924 B13R0.442 CC(C)(Br)COCCCOCC(=O)O 54b4576a0f52f0f1644fa33514149ea7 [0,2,0,0,0,0|2,0,0]=4 10925 B13R0.442 CC(C)(Br)COCCOCCC(=O)O a61653d83123c34141fc8130350528eb [0,2,0,0,0,0|2,0,0]=4 10926 B13R0.442 CC(C)(C)CCCCOCCC(=O)N 9d5b7efa1e01782a7fff681518deebd2 [0,2,0,0,0,0|2,0,0]=4 10927 B13R0.442 CC(C)(C)CCCCOCCC(=O)O 2d0ed2e3240c0c33000b4c3ece7ccd58 [0,2,0,0,0,0|1,0,0]=3 10928 B13R0.442 CC(C)(C)CCCNCCCC(=O)N 0845000b150c32b7d2f97e7fc51c7418 [0,2,0,0,0,0|2,0,0]=4 10929 B13R0.442 CC(C)(C)CCCNCCCC(=O)O a52cbfba2bafaed61eedcedb47061d39 [0,2,0,0,0,0|1,0,0]=3 10930 B13R0.442 CC(C)(C)CCCOCCCC(=O)N 347f66525ac59eee109dc9b4bb7e5a8a [0,2,0,0,0,0|2,0,0]=4 10931 B13R0.442 CC(C)(C)CCCOCCCC(=O)O e5fba04f793ab0d85b99573d6cee3ef0 [0,2,0,0,0,0|1,0,0]=3 10932 B13R0.442 CC(C)(C)CCNCCCCC(=O)N 8d4d1c17d1375b5dfa1a34bef4df7e85 [0,2,0,0,0,0|2,0,0]=4 10933 B13R0.442 CC(C)(C)CCNCCCCC(=O)O 03e8c4caa43f02388316621c8365b153 [0,2,0,0,0,0|1,0,0]=3 10934 B13R0.442 CC(C)(C)CCNCCOCC(=O)O 80c859e5a7de690d4cf230e92ac6342c [0,2,0,0,0,0|2,0,0]=4 10935 B13R0.442 CC(C)(C)CCNCCSCC(=O)O 5ecc29e5935f5e67d4e89c292ef4cede [0,2,0,0,0,0|2,0,0]=4 10936 B13R0.442 CC(C)(C)CCOCCCCC(=O)N a1f098f81e6140acde3fbc5f40e5798d [0,2,0,0,0,0|2,0,0]=4 10937 B13R0.442 CC(C)(C)CCOCCCCC(=O)O d0314726661e283fd9826b29a65bfc2d [0,2,0,0,0,0|1,0,0]=3 10938 B13R0.442 CC(C)(C)CCOCCOCC(=O)O e2fffe56d2d43797a4263fafcb87026d [0,2,0,0,0,0|2,0,0]=4 10939 B13R0.442 CC(C)(C)CNCCCCCC(=O)N fd8b396642801044fd8258c9c25b2433 [0,2,0,0,0,0|2,0,0]=4 10940 B13R0.442 CC(C)(C)CNCCCCCC(=O)O 90dcd364610e5940891d6aac2f76368d [0,2,0,0,0,0|1,0,0]=3 10941 B13R0.442 CC(C)(C)CNCCCOCC(=O)O 7721c2fe1c7f07ce6a550b37d1a0c71a [0,2,0,0,0,0|2,0,0]=4 10942 B13R0.442 CC(C)(C)CNCCOCCC(=O)O a8dcbdb57e21149213f9f50df9641cc4 [0,2,0,0,0,0|2,0,0]=4 10943 B13R0.442 CC(C)(C)COCCCCCC(=O)N 6e885706d4855a3425c2ad0013aa25d7 [0,2,0,0,0,0|2,0,0]=4 10944 B13R0.442 CC(C)(C)COCCCCCC(=O)O 2419b2d92dee3719aca47023e9922155 [0,2,0,0,0,0|1,0,0]=3 10945 B13R0.442 CC(C)(C)COCCCOCC(=O)O 56bcf9b25f3c4ebee4d3a09154f9d6fb [0,2,0,0,0,0|2,0,0]=4 10946 B13R0.442 CC(C)(C)COCCOCCC(=O)O e0e477bc43e93c32a972206059ce585e [0,2,0,0,0,0|2,0,0]=4 10947 B13R0.442 CC(C)(C)OCCCNCCC(=O)O 36f81a0cde410a838b360ee6533b4e00 [0,2,0,0,0,0|2,0,0]=4 10948 B13R0.442 CC(C)(C)OCCNCCCC(=O)O 51a904a26430c04ede07c5ff26afd274 [0,2,0,0,0,0|2,0,0]=4 10949 B13R0.442 CC(C)(C)OCCOCCCC(=O)O 1768095c8ff0e4c2f5b56980fae751e7 [0,2,0,0,0,0|2,0,0]=4 10950 B13R0.442 CC(C)(C)SCCCNCCC(=O)O 7220c9d620c4bef24d1bed02b0a6b5d3 [0,2,0,0,0,0|2,0,0]=4 10951 B13R0.442 CC(C)(C)SCCCOCCC(=O)O 611de5745cef074322d3540c3d5885df [0,2,0,0,0,0|2,0,0]=4 10952 B13R0.442 CC(C)(C)SCCNCCCC(=O)O e53164057c64bf05ee85dd7a9fd2ae62 [0,2,0,0,0,0|2,0,0]=4 10953 B13R0.442 CC(C)(C)SCCOCCCC(=O)O 9d2c878dd955fea00ddd7182bb0fe76f [0,2,0,0,0,0|2,0,0]=4 10954 B13R0.442 CC(C)(F)CCNCCCCC(=O)N dad5defc470aab1af7356052ded8963d [0,2,0,0,0,0|2,0,0]=4 10955 B13R0.442 CC(C)(F)CCNCCCCC(=O)O fa26bf96d3115266836dac94bf472706 [0,2,0,0,0,0|1,0,0]=3 10956 B13R0.442 CC(C)(F)CNCCCCCC(=O)N f169df9964142e0705ac8a877e77f358 [0,2,0,0,0,0|2,0,0]=4 10957 B13R0.442 CC(C)(F)CNCCCCCC(=O)O f2b7d3b313125b71cefe79d4754c3e55 [0,2,0,0,0,0|1,0,0]=3 10958 B13R0.442 CC(C)(F)CNCCOCCC(=O)O 37292f4dc0f7b87b0a2ee1b255e11703 [0,2,0,0,0,0|2,0,0]=4 10959 B13R0.442 CC(C)(F)COCCCCCC(=O)N 7dce8343df9587dc66567e375d9ac8e3 [0,2,0,0,0,0|2,0,0]=4 10960 B13R0.442 CC(C)(F)COCCCCCC(=O)O c4895f06526cae009f7bf34ee85754af [0,2,0,0,0,0|1,0,0]=3 10961 B13R0.442 CC(C)(F)COCCOCCC(=O)O 488780bc4e257542f1724e061639461d [0,2,0,0,0,0|2,0,0]=4 10962 B13R0.442 CC(C)(O)CCCCCNCC(=O)N fc635e691cd17562ff8c18eacd6070f9 [0,2,0,0,0,0|2,0,0]=4 10963 B13R0.442 CC(C)(O)CCCCCNCC(=O)O b18a1acec24c220c96c3c27f7071f181 [0,2,0,0,0,0|1,0,0]=3 10964 B13R0.442 CC(C)(O)CCCCCOCC(=O)N cfe61c6d57b2f402b4a4f6971df71a18 [0,2,0,0,0,0|2,0,0]=4 10965 B13R0.442 CC(C)(O)CCCCCOCC(=O)O 34d8f24883b8218d6111531c9292c0af [0,2,0,0,0,0|1,0,0]=3 10966 B13R0.442 CC(C)(O)CCCCCOCS(=O)O 44ee694aa572a25479f163d73487b127 [0,2,0,0,0,0|2,0,0]=4 10967 B13R0.442 CC(C)(O)CCCNCCCC(=O)N 9062ba3d418f9c15ebb9f75c987b841f [0,2,0,0,0,0|2,0,0]=4 10968 B13R0.442 CC(C)(O)CCCNCCCC(=O)O aa8b28a10480fdc5115dc7b3d62f6038 [0,2,0,0,0,0|1,0,0]=3 10969 B13R0.442 CC(C)(O)CCCOCCCC(=O)N cef624ab820a6b736071277b2b827204 [0,2,0,0,0,0|2,0,0]=4 10970 B13R0.442 CC(C)(O)CCNCCCCC(=O)N 87654e8d9c236fa04d6f3f83c7e94c0a [0,2,0,0,0,0|2,0,0]=4 10971 B13R0.442 CC(C)(O)CCNCCCCC(=O)O 0d660f77847007e188345105264e03b9 [0,2,0,0,0,0|1,0,0]=3 10972 B13R0.442 CC(C)(O)CCNCCOCC(=O)O 3e6c121221c81e9ff3eade1d5e5403c8 [0,2,0,0,0,0|2,0,0]=4 10973 B13R0.442 CC(C)(O)CCNCCSCC(=O)O d896e6d492f0bfc3bbbe5b0f977220b0 [0,2,0,0,0,0|2,0,0]=4 10974 B13R0.442 CC(C)(O)CCOCCCCC(=O)N aee90146aa886a32fe5c82668c265e7c [0,2,0,0,0,0|2,0,0]=4 10975 B13R0.442 CC(C)(O)CCOCCCCC(=O)O 0846f335b3638413c3895fef2509f762 [0,2,0,0,0,0|1,0,0]=3 10976 B13R0.442 CC(C)(O)CCOCCOCC(=O)O 46dc5055b8a46b3246d9f7f8e24046dc [0,2,0,0,0,0|2,0,0]=4 10977 B13R0.442 CC(C)(O)CNCCCCCC(=O)N a6bd43de46070a4efc933ae3b499f19b [0,2,0,0,0,0|2,0,0]=4 10978 B13R0.442 CC(C)(O)CNCCCCCC(=O)O 1b15d087e9ecff87aa714e43681809c8 [0,2,0,0,0,0|1,0,0]=3 10979 B13R0.442 CC(C)(O)CNCCCOCC(=O)O d33cad22fd1294da338d857e4a7b2666 [0,2,0,0,0,0|2,0,0]=4 10980 B13R0.442 CC(C)(O)CNCCOCCC(=O)O c1e3be4f55d17747938e1f1332ac55ea [0,2,0,0,0,0|2,0,0]=4 10981 B13R0.442 CC(C)(O)COCCCCCC(=O)N 1b4593b8ba3a36c2a86abd1bf895680c [0,2,0,0,0,0|2,0,0]=4 10982 B13R0.442 CC(C)(O)COCCCCCC(=O)O d8f5148b0048d440462e618d0f217f82 [0,2,0,0,0,0|1,0,0]=3 10983 B13R0.442 CC(C)(O)COCCOCCC(=O)O 7319c45a11d19f8e740e5070e3eda9e2 [0,2,0,0,0,0|2,0,0]=4 10984 B13R0.442 CC(C)(S)CCOCCCCC(=O)N 37a3e7ee8bae02a0ff1d67b5dde46e91 [0,2,0,0,0,0|2,0,0]=4 10985 B13R0.442 CC(C)(S)CCOCCCCC(=O)O 5d34a5651ff15b9c1f2980a39a781617 [0,2,0,0,0,0|1,0,0]=3 10986 B13R0.442 CC(C)(S)CCOCCOCC(=O)O beb8a3695815b4034c1a9a36367d9dd0 [0,2,0,0,0,0|2,0,0]=4 10987 B13R0.442 CC(C)(S)COCCCCCC(=O)N 9c52a7afc7a06ad36679366ed9978552 [0,2,0,0,0,0|2,0,0]=4 10988 B13R0.442 CC(C)(S)COCCCOCC(=O)O d71a4563bc054844714ec9828944b368 [0,2,0,0,0,0|2,0,0]=4 10989 B13R0.442 CC(C)(S)COCCOCCC(=O)O aea55d061fb87e056714f3304b7e1cb5 [0,2,0,0,0,0|2,0,0]=4 10990 B13R0.442 CC(C)CCCCCNCS(=O)(=O)O a65cb22150dd074cc24b91cf2207a4aa [0,2,0,0,0,0|2,0,0]=4 10991 B13R0.442 CC(C)CCCCCOCS(=O)(=O)O 090140296f0b14ad439d8b88c74ab690 [0,2,0,0,0,0|2,0,0]=4 10992 B13R0.442 CC(C)CCCCNCCS(=O)(=O)O fe661518601d57ae5bf7f28ec5a8992c [0,2,0,0,0,0|2,0,0]=4 10993 B13R0.442 CC(C)CCCCOCCS(=O)(=O)O 6be9776989327da385ec6e909a15c91a [0,2,0,0,0,0|2,0,0]=4 10994 B13R0.442 CC(C)CCCNCCCS(=O)(=O)O 8f5fcf32d768648c63955209badea343 [0,2,0,0,0,0|2,0,0]=4 10995 B13R0.442 CC(C)CCCOCCCS(=O)(=O)O cfc98f9364671a55a214bbed002b54da [0,2,0,0,0,0|2,0,0]=4 10996 B13R0.442 CC(C)CCNCCCCS(=O)(=O)O a63ba04e2e46a007171f7475de677ccc [0,2,0,0,0,0|2,0,0]=4 10997 B13R0.442 CC(C)CCOCCCCS(=O)(=O)O fbc85adab427456f4b5fd5e74d844389 [0,2,0,0,0,0|2,0,0]=4 10998 B13R0.442 CC(C)CNCCCCCS(=O)(=O)O 76d73a32b63c3168eec6e8a8240d6cae [0,2,0,0,0,0|2,0,0]=4 10999 B13R0.442 CC(C)NCCCCCCS(=O)(=O)O c6f1ef759f9c1e32d0f20cbf313b402d [0,2,0,0,0,0|2,0,0]=4 11000 B13R0.442 CC(F)(F)CCCNCCCC(=O)N 850fb7c1378ecc08a2ab9236f824a730 [0,2,0,0,0,0|2,0,0]=4 11001 B13R0.442 CC(F)(F)CCCNCCCC(=O)O 1811588a2d5d39addb4f39c32616654c [0,2,0,0,0,0|1,0,0]=3 11002 B13R0.442 CC(F)(F)CCCOCCCC(=O)N 22c5b9754785e5574d73907f989ccad2 [0,2,0,0,0,0|2,0,0]=4 11003 B13R0.442 CC(F)(F)CCNCCCCC(=O)N 09faf0818168eb3509bc3b3027ab0625 [0,2,0,0,0,0|2,0,0]=4 11004 B13R0.442 CC(F)(F)CCNCCCCC(=O)O 521d0809ca5804d7761c304b0f06ad17 [0,2,0,0,0,0|1,0,0]=3 11005 B13R0.442 CC(F)(F)CCNCCOCC(=O)O c3bca9c204e77d4346204dd128b36993 [0,2,0,0,0,0|2,0,0]=4 11006 B13R0.442 CC(F)(F)CCNCCSCC(=O)O 4aeebea4468a3dcb3b70cb2b95e8b851 [0,2,0,0,0,0|2,0,0]=4 11007 B13R0.442 CC(F)(F)CCOCCCCC(=O)N 14616850533987a9d1cd01e92209e65a [0,2,0,0,0,0|2,0,0]=4 11008 B13R0.442 CC(F)(F)CCOCCCCC(=O)O cf086a240a0ef69c6f8a0f9839aa58cb [0,2,0,0,0,0|1,0,0]=3 11009 B13R0.442 CC(F)(F)CCOCCOCC(=O)O 6374b2f65e1601b260bcb79752349960 [0,2,0,0,0,0|2,0,0]=4 11010 B13R0.442 CC(F)(F)CNCCCCCC(=O)N 68b3d7f5d8b5035a3e0427b04aaf7617 [0,2,0,0,0,0|2,0,0]=4 11011 B13R0.442 CC(F)(F)CNCCCCCC(=O)O 4b60b09337428012a4a84bdd6cbbd038 [0,2,0,0,0,0|1,0,0]=3 11012 B13R0.442 CC(F)(F)CNCCOCCC(=O)O 263f4297faf6b5057908d8e7ec8b06a6 [0,2,0,0,0,0|2,0,0]=4 11013 B13R0.442 CC(F)(F)COCCCCCC(=O)N 2ff21c6ff7f74b40457817a434766bb7 [0,2,0,0,0,0|2,0,0]=4 11014 B13R0.442 CC(F)(F)COCCCCCC(=O)O 038aeb7edf9b1acbd837f822f0bc27af [0,2,0,0,0,0|1,0,0]=3 11015 B13R0.442 CC(F)(F)COCCOCCC(=O)O 2f289f15accd4c3e188c39712e1c73c7 [0,2,0,0,0,0|2,0,0]=4 11016 B13R0.442 CC(O)CCCCNCCS(=O)(=O)O ea56bc5c0dd6b85bd29d2a029abebab5 [0,2,0,0,0,0|2,0,0]=4 11017 B13R0.442 CC(O)CCCNCCCS(=O)(=O)O 1aa2e0c3aba6a8e9af7262ae3c737aa0 [0,2,0,0,0,0|2,0,0]=4 11018 B13R0.442 CC(O)CCNCCCCS(=O)(=O)O 69234779c2ff9e5a96b9f20592816b3a [0,2,0,0,0,0|2,0,0]=4 11019 B13R0.442 CC(O)CNCCCCCS(=O)(=O)O 713c22e176164e206f0be04eff72fb4f [0,2,0,0,0,0|2,0,0]=4 11020 B13R0.442 CS(=O)(=O)CCCCOCCC(=O)O cc3a30e450a8bd5c0005c06f978721e5 [0,2,0,0,0,0|2,0,0]=4 11021 B13R0.442 CS(=O)(=O)CCCNCCCC(=O)O d0681509ea1d2a5f47366ea560e84992 [0,2,0,0,0,0|2,0,0]=4 11022 B13R0.442 CS(=O)(=O)CCNCCCCC(=O)O c13dea07e3b4a8bbb63de4f09493f4f4 [0,2,0,0,0,0|2,0,0]=4 11023 B13R0.442 CS(=O)(=O)CCOCCCCC(=O)O 62b78fd9824bd433d786f7c79c14c2d9 [0,2,0,0,0,0|2,0,0]=4 11024 B13R0.442 CS(=O)(=O)CNCCCCCC(=O)O 07d8e8ca362af1cc3b1c4bc3fe387a8e [0,2,0,0,0,0|2,0,0]=4 11025 B13R0.442 CS(=O)(=O)COCCCCCC(=O)O 1c15e504b5bb11b846ef39c97e2bca03 [0,2,0,0,0,0|2,0,0]=4 11026 B13R0.442 C[C@@H](O)CCCCNCCS(=O)(=O)O f41a61fc26d115d67e9a3dc06a88da69 [0,2,0,0,0,0|2,0,0]=4 11027 B13R0.442 C[C@@H](O)CCNCCCCS(=O)(=O)O db62bfe745528724824cd75a0f08f167 [0,2,0,0,0,0|2,0,0]=4 11028 B13R0.442 C[C@@H](O)CNCCCCCS(=O)(=O)O 085de1b8aa7dcbe2d43d0237c8a4ce82 [0,2,0,0,0,0|2,0,0]=4 11029 B13R0.442 C[C@H](O)CCNCCCCS(=O)(=O)O baf7852f233b996b9bd79dbe0d2a2a47 [0,2,0,0,0,0|2,0,0]=4 11030 B13R0.442 C[C@H](O)CNCCCCCS(=O)(=O)O 82ea49e26729abae7831de8693ddef0b [0,2,0,0,0,0|2,0,0]=4 11031 B13R0.442 O=C(O)CCCCCNCC(F)(F)F 7a7296f25e051f605e8e100927bc6a27 [0,2,0,0,0,0|2,0,0]=4 11032 B13R0.442 O=C(O)CCCCCOCC(F)(F)F 469d7daec1889f2388a3fee69138e7b8 [0,2,0,0,0,0|2,0,0]=4 11033 B13R0.442 O=C(O)CCCCNCCC(F)(F)F 746319de45c7ccba810995392ed29791 [0,2,0,0,0,0|2,0,0]=4 11034 B13R0.442 O=C(O)CCCCOCCC(F)(F)F 7cf37b704780e06f098c89300e495c08 [0,2,0,0,0,0|2,0,0]=4 11035 B13R0.442 O=C(O)CCCNCCCC(F)(F)F 86c93abcaa2c0a01bce65ad0f44f2d91 [0,2,0,0,0,0|2,0,0]=4 11036 B13R0.442 O=C(O)CCCOCCCC(F)(F)F 5438f2e417f821431feef765275e1d91 [0,2,0,0,0,0|2,0,0]=4 11037 B13R0.442 O=C(O)CCNCCCCC(F)(F)F b59e0561b0ca249fb214e6da077045dd [0,2,0,0,0,0|2,0,0]=4 11038 B13R0.442 O=C(O)CCOCCCCC(F)(F)F 247c102a035511d7e03384ce104998d3 [0,2,0,0,0,0|2,0,0]=4 11039 B13R0.442 O=C(O)CNCCCCCC(F)(F)F 374e312054150f6889b0cc8be462df2a [0,2,0,0,0,0|2,0,0]=4 11040 B13R0.442 O=C(O)COCCCCCC(F)(F)F 00a67d16a987c4ba4a5bdd550a4bcb7f [0,2,0,0,0,0|2,0,0]=4 11041 B13R0.1172 CCCCCCC(C)NCS(=O)(=O)O 163c1288d90c175b939553f00d00759e [0,2,0,0,0,0|2,0,0]=4 11042 B13R0.1172 CCCCCCC(C)OCS(=O)(=O)O 9b7f311edd73e08a15b032df67326e30 [0,2,0,0,0,0|2,0,0]=4 11043 B13R0.1172 CCCCCCN(C)CCS(=O)(=O)O a135fa7725646f08d8bc3b34903f59a3 [0,2,0,0,0,0|2,0,0]=4 11044 B13R0.1172 CCCCCC[C@@H](C)NCS(=O)(=O)O f3e7e96271e3217f423434ad1f2ee6a7 [0,2,0,0,0,0|2,0,0]=4 11045 B13R0.1172 CCCCCC[C@@H](C)OCS(=O)(=O)O b0b686f97214f6234383470d8b9de66f [0,2,0,0,0,0|2,0,0]=4 11046 B13R0.1172 CCCCCC[C@H](C)NCS(=O)(=O)O 85a1fcac64c056d14a6515e4b91eb874 [0,2,0,0,0,0|2,0,0]=4 11047 B13R0.1172 CCCCCC[C@H](C)OCS(=O)(=O)O 2ecf90044f14d4cf2e06facf8c73941a [0,2,0,0,0,0|2,0,0]=4 11048 B13R0.1215 CCCCCCOCCS(=O)(=O)OC 5bbbcfebb1d188140eac2dd01e4ff8bf [0,2,0,0,0,0|2,0,0]=4 11049 B13R0.88 C#CCN(C)CCCCCCC(=O)O 45b06de87c68b6aba6eeb42f93229349 [0,2,0,0,0,0|0,0,2]=4 11050 B13R0.88 C=C(C)CCCOCCC(C)CCC 2eb0240420986bc48162f57f6b2e103e [0,2,0,0,0,0|2,0,0]=4 11051 B13R0.88 C=C(C)CCCOCCC(S)CCC 324ce90514c73886036d74d688247886 [0,2,0,0,0,0|2,0,0]=4 11052 B13R0.88 C=C(C)CCOCCCC(C)CCC 4c4696212d9ebda5b9ecdd9412b8dd9a [0,2,0,0,0,0|2,0,0]=4 11053 B13R0.88 C=CCC(C)CNCCCCC(=O)O 342e004756421e89c86fff6c0cbe4fe8 [0,2,0,0,0,0|0,0,2]=4 11054 B13R0.88 C=CCC(C)COCCCCC(=O)O d279bd724b789fb0606ff097f3083883 [0,2,0,0,0,0|0,0,2]=4 11055 B13R0.88 C=CCC(O)CNCCCCC(=O)O f35bdf46c41f8b05831cb2af619b52ee [0,2,0,0,0,0|0,0,2]=4 11056 B13R0.88 C=CCN(C)CCCCCCC(=O)O a30ce3567070f7a2ca7c9ae4270e4c29 [0,2,0,0,0,0|0,0,2]=4 11057 B13R0.88 CC(=O)CCCCCNC(C)CCO f30a7738f19384784d6b3d93bc8235e3 [0,2,0,0,0,0|2,0,0]=4 11058 B13R0.88 CC(=O)CCCCCN[C@@H](C)CCO 6b0cffdeab8baf4bfc3a9cca35aca415 [0,2,0,0,0,0|2,0,0]=4 11059 B13R0.88 CC(=O)CCCCCN[C@H](C)CCO 17151fa8ad84b838b858b84ea2a3f834 [0,2,0,0,0,0|2,0,0]=4 11060 B13R0.88 CC(=O)CCCCNCC(C)CCO 51cc73759ea72368925a0e7e63c448d8 [0,2,0,0,0,0|2,0,0]=4 11061 B13R0.88 CC(=O)CCCCOC[C@@H](O)CCO fbf457e3801f62357d6204ba1fc58d62 [0,2,0,0,0,0|2,0,0]=4 11062 B13R0.88 CC(CC#N)NCCCCCC(=O)O 83a6d7c3034f6f4dd99e2c60aadf7c04 [0,2,0,0,0,0|1,0,1]=4 11063 B13R0.88 CC(CC#N)OCCCCCC(=O)O 8f2115c88b4c9a2b617bb5604c811c31 [0,2,0,0,0,0|1,0,1]=4 11064 B13R0.88 CC(CCCCCCC(=O)O)OCF 2eb0795fcb3b347ce38708f7730863e4 [0,2,0,0,0,0|1,0,0]=3 11065 B13R0.88 CC(CCO)CNCCCCC(=O)N 608ddb0b2e3bb4eca824c8e3a8eb20f5 [0,2,0,0,0,0|2,0,0]=4 11066 B13R0.88 CC(CCO)CNCCCCC(=O)O 5bd8860eb2a2a53e1b61ceef80d00f2d [0,2,0,0,0,0|1,0,0]=3 11067 B13R0.88 CC(CCO)CNCCOCC(=O)O 0b2d0eeacc465110acbb43f5e16d56d9 [0,2,0,0,0,0|2,0,0]=4 11068 B13R0.88 CC(CCO)NCCCCCC(=O)N 6b05b6c0a8df02e4c9c53e660bb73efb [0,2,0,0,0,0|2,0,0]=4 11069 B13R0.88 CC(CCO)NCCCCCC(=O)O ef7105ce4330619dfc37f790d3d3fb3f [0,2,0,0,0,0|1,0,0]=3 11070 B13R0.88 CC(CCO)NCCCOCC(=O)O c3f2c4313555cd1867bd3f5044f181ab [0,2,0,0,0,0|2,0,0]=4 11071 B13R0.88 CC(CCO)NCCOCCC(=O)O 1a777305fa0e759d08140cb9911bcd7f [0,2,0,0,0,0|2,0,0]=4 11072 B13R0.88 CCCC(=O)CNCCCCC(=O)N f91589fb4434b474df1db707f4de6431 [0,2,0,0,0,0|1,0,1]=4 11073 B13R0.88 CCCC(=O)CNCCCCC(=O)O 282e80ff0c8bda9186fda636726ae084 [0,2,0,0,0,0|0,0,1]=3 11074 B13R0.88 CCCC(=O)CNCCOCC(=O)O 05875a6626241b4ff49da259b1b0e380 [0,2,0,0,0,0|1,0,1]=4 11075 B13R0.88 CCCC(=O)CNCCSCC(=O)O 0ef5c9ec3334a5dade8c411fdc4e4cc7 [0,2,0,0,0,0|1,0,1]=4 11076 B13R0.88 CCCC(=O)COCCCCC(=O)C 8c2f5cb648099ad098e3c21e60c47b64 [0,2,0,0,0,0|1,0,1]=4 11077 B13R0.88 CCCC(=O)COCCCCC(=O)N ddabdf3f7248ff2422009979843f7c18 [0,2,0,0,0,0|1,0,1]=4 11078 B13R0.88 CCCC(=O)COCCCCC(=O)O 3f96d5dc2a93b1f1cf70dab51db560f1 [0,2,0,0,0,0|0,0,1]=3 11079 B13R0.88 CCCC(=O)COCCOCC(=O)O f20600a30eebd44768c3b2a6f3b2d9c1 [0,2,0,0,0,0|1,0,1]=4 11080 B13R0.88 CCCC(=O)NCCCCCC(=O)N b45243465111286704f331690e418063 [0,2,0,0,0,0|1,0,1]=4 11081 B13R0.88 CCCC(=O)OCCOCCC(=O)O 32f57bf43abfe2c045409033f5d93f88 [0,2,0,0,0,0|1,0,1]=4 11082 B13R0.88 CCCC(=S)OCCCCCC(=O)C 763d635890f6608e0d6666cd70e8342b [0,2,0,0,0,0|1,0,1]=4 11083 B13R0.88 CCCC(=S)OCCCCCC(=O)N cc2e94519d78c7075e9c8ac2eaf871ce [0,2,0,0,0,0|1,0,1]=4 11084 B13R0.88 CCCC(=S)OCCCCCC(=O)O 2aed497057693ad3b73b6ae1c1132132 [0,2,0,0,0,0|0,0,1]=3 11085 B13R0.88 CCCC(=S)OCCCOCC(=O)O bf6130d7976a7ff66bb3330d7504cfd7 [0,2,0,0,0,0|1,0,1]=4 11086 B13R0.88 CCCC(=S)OCCOCCC(=O)O 67c04a7ba59c03c04f43c30a7dad2e11 [0,2,0,0,0,0|1,0,1]=4 11087 B13R0.88 CCCC(C)CCCOCCC(=O)C e4bad76b976d624c37f1c06f27b37e49 [0,2,0,0,0,0|1,0,0]=3 11088 B13R0.88 CCCC(C)CCCOCCC(=O)N 44de2b8f09171c8ee766d8b0d20eb7e9 [0,2,0,0,0,0|1,0,0]=3 11089 B13R0.88 CCCC(C)CCCOCCC(=O)O 6f8fb9722a4f93a46c062dcdbe574f8a [0,2,0,0,0,0|0,0,0]=2 11090 B13R0.88 CCCC(C)CCCOCCS(=O)C 743bf63329ec5e3ef4ebaa74d4d95027 [0,2,0,0,0,0|2,0,0]=4 11091 B13R0.88 CCCC(C)CCCOCOC(=O)C 85369fc08a87d585d5916b3f5df421fe [0,2,0,0,0,0|2,0,0]=4 11092 B13R0.88 CCCC(C)CCCOCSC(=O)N 6eac66a44c917a6c0e70128ecfb11d2e [0,2,0,0,0,0|2,0,0]=4 11093 B13R0.88 CCCC(C)CCOC/C=C/C(=O)O cacac63bc9a8326f5529ff990f350332 [0,2,0,0,0,0|0,0,2]=4 11094 B13R0.88 CCCC(C)CCOCC=CC(=O)O 5d426278b2eba6d021cea8be3ed56eea [0,2,0,0,0,0|0,0,2]=4 11095 B13R0.88 CCCC(C)CCOCCCC(=O)C ddc1a28b7ee1aec4a390ea6bd3c447c0 [0,2,0,0,0,0|1,0,0]=3 11096 B13R0.88 CCCC(C)CCOCCCC(=O)N 9a123875e6710b07acf0b53809085698 [0,2,0,0,0,0|1,0,0]=3 11097 B13R0.88 CCCC(C)CCOCCCC(=O)O d955a35c876b1bc9664a027e2100bdce [0,2,0,0,0,0|0,0,0]=2 11098 B13R0.88 CCCC(C)CCOCCC[N+](=O)[O-] 32fc8417388d6fcf81a2a69bae791277 [0,2,0,0,0,0|1,0,1]=4 11099 B13R0.88 CCCC(C)CCOCCNC(=O)C d3a932a1ab63d86e1c3ed33e4a5210d6 [0,2,0,0,0,0|2,0,0]=4 11100 B13R0.88 CCCC(C)CCOCCNC(=O)N b7c2789fee6bb22856d4996e9f653794 [0,2,0,0,0,0|2,0,0]=4 11101 B13R0.88 CCCC(C)CCOCCOC(=O)C 9a26f439217be7b7e31ac731fb183f56 [0,2,0,0,0,0|2,0,0]=4 11102 B13R0.88 CCCC(C)CCOCCSC(=O)C f6acfa0d9b28a89a1eda6c683af497f0 [0,2,0,0,0,0|2,0,0]=4 11103 B13R0.88 CCCC(C)CNCCCCC(=O)N 675ff612eac2b16872870b74898149b4 [0,2,0,0,0,0|1,0,0]=3 11104 B13R0.88 CCCC(C)CNCCCCC(=O)O 462fdb7ba95f264ab88df683cba002c3 [0,2,0,0,0,0|0,0,0]=2 11105 B13R0.88 CCCC(C)CNCCCNC(=O)C def36b14863c18377f80a053603efc3b [0,2,0,0,0,0|2,0,0]=4 11106 B13R0.88 CCCC(C)CNCCOCC(=O)O 40d74a888b2ddb7bd44e7696766143e6 [0,2,0,0,0,0|1,0,0]=3 11107 B13R0.88 CCCC(C)CNCCSCC(=O)O 3c05ab37e7c85a8b5ce55b8b6ab07c08 [0,2,0,0,0,0|1,0,0]=3 11108 B13R0.88 CCCC(C)COCCC#CC(=O)O 32af0dc500e00a3868c4589d1ad27c37 [0,2,0,0,0,0|0,0,2]=4 11109 B13R0.88 CCCC(C)COCCCCC(=O)C 7abc8706c37a4a7e39299422bf882cd3 [0,2,0,0,0,0|1,0,0]=3 11110 B13R0.88 CCCC(C)COCCCCC(=O)N f66479723ffdc8e1551a0c1c30e069d6 [0,2,0,0,0,0|1,0,0]=3 11111 B13R0.88 CCCC(C)COCCCCC(=O)O a76f6c36ae6419ed5923269685d8f284 [0,2,0,0,0,0|0,0,0]=2 11112 B13R0.88 CCCC(C)COCCCC[N+](=O)[O-] 044ddf11556f701b79cf953cd0144537 [0,2,0,0,0,0|1,0,1]=4 11113 B13R0.88 CCCC(C)COCCCNC(=O)C 167eb1bd4eeecfdfe89f78d8a0371926 [0,2,0,0,0,0|2,0,0]=4 11114 B13R0.88 CCCC(C)COCCCOC(=O)C 47b9186a4654f6731d707087027be1e8 [0,2,0,0,0,0|2,0,0]=4 11115 B13R0.88 CCCC(C)COCCCSC(=O)C 12742e2da3de1dff7d7a6e0c8b58746c [0,2,0,0,0,0|2,0,0]=4 11116 B13R0.88 CCCC(C)COCCOCC(=O)N a0c4ee1ba56030e609b64064b9164a4b [0,2,0,0,0,0|2,0,0]=4 11117 B13R0.88 CCCC(C)COCCOCC(=O)O 831a2c060a51006115d1c276cb6a1f3e [0,2,0,0,0,0|1,0,0]=3 11118 B13R0.88 CCCC(C)COCCSCC(=O)N e3d52f7296313e0febd4bdc157917c22 [0,2,0,0,0,0|2,0,0]=4 11119 B13R0.88 CCCC(C)NCCCCCC(=O)C 8a8964b51ecb281010ab5880801d9a44 [0,2,0,0,0,0|1,0,0]=3 11120 B13R0.88 CCCC(C)NCCCCCC(=O)N b064f01a7eacd262757b4e2112711247 [0,2,0,0,0,0|1,0,0]=3 11121 B13R0.88 CCCC(C)NCCCCCC(=O)O bcee38a7bf0dc6ed80fc0abeb3567072 [0,2,0,0,0,0|0,0,0]=2 11122 B13R0.88 CCCC(C)NCCCCNC(=O)C b9a5051515943df7671b945a7f6602e3 [0,2,0,0,0,0|2,0,0]=4 11123 B13R0.88 CCCC(C)NCCCCOC(=O)C a814afd6d97cf3fb5d0043810d7ad29a [0,2,0,0,0,0|2,0,0]=4 11124 B13R0.88 CCCC(C)NCCCCSC(=O)C f8f2758b1f9b584047e1bf8827710916 [0,2,0,0,0,0|2,0,0]=4 11125 B13R0.88 CCCC(C)NCCCOCC(=O)O 205e9230010852a9bb0fe3029c28960a [0,2,0,0,0,0|1,0,0]=3 11126 B13R0.88 CCCC(C)NCCOCCC(=O)O 3c4e1d5bade1940d7edb9d051dc05b41 [0,2,0,0,0,0|1,0,0]=3 11127 B13R0.88 CCCC(C)OCCCCCC(=O)C 73eff4a247995d2cbaba8b470a844c26 [0,2,0,0,0,0|1,0,0]=3 11128 B13R0.88 CCCC(C)OCCCCCC(=O)N 8739fa4c8c34671cea4558f00567b106 [0,2,0,0,0,0|1,0,0]=3 11129 B13R0.88 CCCC(C)OCCCCCC(=O)O 87636ff0b23c01bb4d48fe6d13ebc4d8 [0,2,0,0,0,0|0,0,0]=2 11130 B13R0.88 CCCC(C)OCCCCOC(=O)C 11b9e02aed28dddc0c601c7c5d4945d1 [0,2,0,0,0,0|2,0,0]=4 11131 B13R0.88 CCCC(C)OCCCCSC(=O)C 1193704575782a493a48028bb0b7832c [0,2,0,0,0,0|2,0,0]=4 11132 B13R0.88 CCCC(C)OCCCOCC(=O)O 0e567d24a0da11cede5599962eaf37fe [0,2,0,0,0,0|1,0,0]=3 11133 B13R0.88 CCCC(C)OCCOCCC(=O)O cd8b89059f07fbc88325d10247e553a6 [0,2,0,0,0,0|1,0,0]=3 11134 B13R0.88 CCCC(O)CNCCCCC(=O)C 881c5f3494d108cf783081712b4122d1 [0,2,0,0,0,0|1,0,0]=3 11135 B13R0.88 CCCC(O)CNCCCCC(=O)N d5d68ad25c97b975d860f306d2d54e45 [0,2,0,0,0,0|1,0,0]=3 11136 B13R0.88 CCCC(O)CNCCCCC(=O)O 1895969de1f94a4add3a74e488e695e3 [0,2,0,0,0,0|0,0,0]=2 11137 B13R0.88 CCCC(O)CNCCCCC(C)O aea55b092c53d40d489f33e611c791a4 [0,2,0,0,0,0|1,0,1]=4 11138 B13R0.88 CCCC(O)CNCCCC[C@@H](C)O ce36a06a83902f71290f8dc84741d3e3 [0,2,0,0,0,0|1,0,1]=4 11139 B13R0.88 CCCC(O)CNCCCNC(=O)C 2847f622b238f9bcbbc5c4821524d7ac [0,2,0,0,0,0|2,0,0]=4 11140 B13R0.88 CCCC(O)CNCCCOC(=O)C d56db89888a9f0422ed2f1c95b2973f3 [0,2,0,0,0,0|2,0,0]=4 11141 B13R0.88 CCCC(O)CNCCCSC(=O)C 0261ac3d9a23381b51197cadebe6c98f [0,2,0,0,0,0|2,0,0]=4 11142 B13R0.88 CCCC(O)CNCCOCC(=O)N d66a334813930b4f7371394535f4e5bf [0,2,0,0,0,0|2,0,0]=4 11143 B13R0.88 CCCC(O)CNCCOCC(=O)O 0ef6280836442bbf82e4efa0f181a7d9 [0,2,0,0,0,0|1,0,0]=3 11144 B13R0.88 CCCC(S)CCOC/C=C/C(=O)O 622c9c4586a047231a9d911d90977cc7 [0,2,0,0,0,0|0,0,2]=4 11145 B13R0.88 CCCC(S)CCOCC=CC(=O)O 91839dd7983f4f6fdf0d209b706d4ac7 [0,2,0,0,0,0|0,0,2]=4 11146 B13R0.88 CCCC(S)CCOCCCC(=O)C 57fd8a9e75cc1276fe57bcedc724caa5 [0,2,0,0,0,0|1,0,0]=3 11147 B13R0.88 CCCC(S)CCOCCCC(=O)N 6bd49cbbf252c9053fcc83c17acf0ad9 [0,2,0,0,0,0|1,0,0]=3 11148 B13R0.88 CCCC(S)CCOCCCC(=O)O 1ddb6e284e99154f683a92cce44a0053 [0,2,0,0,0,0|0,0,0]=2 11149 B13R0.88 CCCC(S)CCOCCC[N+](=O)[O-] 20b3d971857fcb189703699b55e01281 [0,2,0,0,0,0|1,0,1]=4 11150 B13R0.88 CCCC(S)CCOCCNC(=O)C 92cbdaca77b5fc6d45057736e6908867 [0,2,0,0,0,0|2,0,0]=4 11151 B13R0.88 CCCC(S)CCOCCNC(=O)N 4b5fb1bfd0bd1a40117fc1e81e8346be [0,2,0,0,0,0|2,0,0]=4 11152 B13R0.88 CCCC(S)CCOCCOC(=O)C a774d00f552371887c3e717988ce2c24 [0,2,0,0,0,0|2,0,0]=4 11153 B13R0.88 CCCC(S)CCOCCSC(=O)C e29bd401835e8da739933780055ee9ec [0,2,0,0,0,0|2,0,0]=4 11154 B13R0.88 CCCN(C)CCCCCCC(=O)O b0f59cfd36622ab723bc1e297a452899 [0,2,0,0,0,0|0,0,0]=2 11155 B13R0.88 CCCN(C)CCCCCOC(=O)C 7016c57665b8ad6d9125a27ae63c8a2d [0,2,0,0,0,0|2,0,0]=4 11156 B13R0.88 CCC[C@@H](C)OCCCCCC(=O)C 8f55765e61c810d33053ef8560fb72a1 [0,2,0,0,0,0|1,0,0]=3 11157 B13R0.88 CCC[C@@H](C)OCCCCCC(=O)N e60f081127d4abbb9977e63c3bf0952d [0,2,0,0,0,0|1,0,0]=3 11158 B13R0.88 CCC[C@@H](C)OCCCCOC(=O)C c74e06b75ec47a9c8d0141a76381437a [0,2,0,0,0,0|2,0,0]=4 11159 B13R0.88 CCC[C@@H](C)OCCCCSC(=O)C c7ceadba0bdc204202d443d7f0f4a314 [0,2,0,0,0,0|2,0,0]=4 11160 B13R0.88 CCC[C@@H](C)OCCCOCC(=O)O 9683fa7f97c8578b03fc90452ec3ce1b [0,2,0,0,0,0|1,0,0]=3 11161 B13R0.88 CCC[C@@H](C)OCCOCCC(=O)O a3cee6aa81149565737f62bfb49dc13d [0,2,0,0,0,0|1,0,0]=3 11162 B13R0.88 CCC[C@H](C)NCCCCCC(=O)C ae9eaa7cb496cc9b42c6faf320c2b10d [0,2,0,0,0,0|1,0,0]=3 11163 B13R0.88 CCC[C@H](C)NCCCCCC(=O)N 39e9c5e00a1863caae47b05e249edb96 [0,2,0,0,0,0|1,0,0]=3 11164 B13R0.88 CCC[C@H](C)NCCCCOC(=O)C 960b219e67f695198860408715fcaead [0,2,0,0,0,0|2,0,0]=4 11165 B13R0.88 CCC[C@H](C)NCCCCSC(=O)C ccc22a7a3e5929c4ba4d87d2088aa395 [0,2,0,0,0,0|2,0,0]=4 11166 B13R0.88 CCC[C@H](C)NCCCOCC(=O)O 69acdb59026ec684979543de6ce32c8f [0,2,0,0,0,0|1,0,0]=3 11167 B13R0.88 CCC[C@H](C)OCCCCCC(=O)C ef759a0780c9697eec5b5693dd0d69e7 [0,2,0,0,0,0|1,0,0]=3 11168 B13R0.88 CCC[C@H](C)OCCCCCC(=O)N 3e55fdd0917d724c8b741da59f89ad65 [0,2,0,0,0,0|1,0,0]=3 11169 B13R0.88 CCC[C@H](C)OCCCCOC(=O)C 4b16b9040f1a0a00b0e833460bce218f [0,2,0,0,0,0|2,0,0]=4 11170 B13R0.88 CCC[C@H](C)OCCCCSC(=O)C f32b29891517a49adb43606302338707 [0,2,0,0,0,0|2,0,0]=4 11171 B13R0.88 CCC[C@H](C)OCCCOCC(=O)O c5dfd4799a7f53c5537d411feb71a2fb [0,2,0,0,0,0|1,0,0]=3 11172 B13R0.88 CCC[C@H](C)OCCOCCC(=O)O b799f4f3739b043773c03c3e41dd1015 [0,2,0,0,0,0|1,0,0]=3 11173 B13R0.88 CCNC(=O)CCNCCCC(=O)O 54d1290aaf5295308e23718607a343f5 [0,2,0,0,0,0|1,0,1]=4 11174 B13R0.88 CCNC(=O)CNCCCCC(=O)O 17f520758c7d6d6b980228eccf320dcf [0,2,0,0,0,0|1,0,1]=4 11175 B13R0.88 CCNC(=O)COCCCCC(=O)O 7ba9935b104e57403cb2b5ece1acede0 [0,2,0,0,0,0|1,0,1]=4 11176 B13R0.88 CCOC(=O)CCCCNCC(=O)O eb4ac283442c7329c6771a4ceeb3e4e7 [0,2,0,0,0,0|1,0,1]=4 11177 B13R0.88 CCOC(=O)CCCCOCC(=O)O 525f82a26d842930da1f47a181bae306 [0,2,0,0,0,0|1,0,1]=4 11178 B13R0.88 CCOC(=O)CCCNCCC(=O)O 68898aabdaf7740d2f13ddde79a0fc39 [0,2,0,0,0,0|1,0,1]=4 11179 B13R0.88 CCOC(=O)CCCOCCC(=O)O 6de149199e6ed2d248c5bfc15bf74405 [0,2,0,0,0,0|1,0,1]=4 11180 B13R0.88 CCOC(=O)CCNCCCC(=O)O f2c364c174740b2b44f3a043b2cfa75d [0,2,0,0,0,0|1,0,1]=4 11181 B13R0.88 CCOC(=O)CNCCCCC(=O)O b2937a40d0b757be6a30f0cab929552f [0,2,0,0,0,0|1,0,1]=4 11182 B13R0.88 CCOC(=O)COCCCCC(=O)O a0d46f43315751b80e89922de9673634 [0,2,0,0,0,0|1,0,1]=4 11183 B13R0.88 CCOC(C)CCCCCCC(=O)O 0895d603eb38158c32cc45b10a690085 [0,2,0,0,0,0|0,0,0]=2 11184 B13R0.88 CCOC(C)CNCCCCC(=O)C df6c4d03aebab16b1c0dd71e2a508b17 [0,2,0,0,0,0|2,0,0]=4 11185 B13R0.88 CCOC(C)CNCCCCC(=O)N 995f704b71641643d8777db8f541d443 [0,2,0,0,0,0|2,0,0]=4 11186 B13R0.88 CCOC(C)CNCCOCC(=O)O 0f158289cb9df1ecbd5bf342bffb6c04 [0,2,0,0,0,0|2,0,0]=4 11187 B13R0.88 CCOC(C)COCCCCC(=O)C 50848b48198453da6980609dbd3610f7 [0,2,0,0,0,0|2,0,0]=4 11188 B13R0.88 CCOC(C)COCCCCC(=O)N dffeed83c3d41600f28029595abe50ae [0,2,0,0,0,0|2,0,0]=4 11189 B13R0.88 CCOC(C)COCCOCC(=O)O d10acbc62a7b47ed7469981a948d1225 [0,2,0,0,0,0|2,0,0]=4 11190 B13R0.88 CN(CC#N)CCCCCCC(=O)O fc5bcb9fdd71574b2aa6fbd7a4dfb0a2 [0,2,0,0,0,0|1,0,1]=4 11191 B13R0.88 CN(CC=O)CCCCCCC(=O)O e5f400e9d1a51cb9b3fff7b1b4835052 [0,2,0,0,0,0|1,0,1]=4 11192 B13R0.88 CN(CCF)CCCCCCC(=O)O a71018f9d72c82766b14cea229527159 [0,2,0,0,0,0|1,0,0]=3 11193 B13R0.88 CN(CCO)CCCCCCC(=O)O 661c83b3f126f00fe412b2ae3220c3a4 [0,2,0,0,0,0|1,0,0]=3 11194 B13R0.88 CN(CCO)CCCNCCC(=O)O 66b278bcf3864e631dc3464341b03d90 [0,2,0,0,0,0|2,0,0]=4 11195 B13R0.88 CN(CCO)CCNCCCC(=O)O 0477785ca3108d3827b3e882c28c78de [0,2,0,0,0,0|2,0,0]=4 11196 B13R0.88 CN(CCS)CCCCCCC(=O)O fa0b036c08517598b654a8ff199c9cc6 [0,2,0,0,0,0|1,0,0]=3 11197 B13R0.88 COCC(C)COCCCCC(=O)C c5f02ba7863eb2a4c3a299cc578674b9 [0,2,0,0,0,0|2,0,0]=4 11198 B13R0.88 COCC(C)COCCOCC(=O)O 78919c6caa1c742bbaf80819bcfcc4c4 [0,2,0,0,0,0|2,0,0]=4 11199 B13R0.88 COCC(C)NCCCCCC(=O)C b6b1df80583f7b8dee4abfc339567439 [0,2,0,0,0,0|2,0,0]=4 11200 B13R0.88 COCC(C)NCCCCCC(=O)N 1bfd2db7b40e84eb128cf2749e058793 [0,2,0,0,0,0|2,0,0]=4 11201 B13R0.88 COCC(C)NCCCCCC(=O)O e4b7402bbba39cce8cfb56dbe689caf2 [0,2,0,0,0,0|1,0,0]=3 11202 B13R0.88 COCC(C)NCCCOCC(=O)O fae1e76035a38c683f4f66165c83c5c1 [0,2,0,0,0,0|2,0,0]=4 11203 B13R0.88 COCC(C)NCCOCCC(=O)O 5e108c660e1899f4c0904440509fc4b2 [0,2,0,0,0,0|2,0,0]=4 11204 B13R0.88 COCC(C)OCCCCCC(=O)C 061639b3d30901fc036c3c1ed06d22ac [0,2,0,0,0,0|2,0,0]=4 11205 B13R0.88 COCC(C)OCCCCCC(=O)N 939222244aa6eb3f0fda956e5a051141 [0,2,0,0,0,0|2,0,0]=4 11206 B13R0.88 COCC(C)OCCCCCC(=O)O a87a24c295a5cb86f81acd5e6a29f8a9 [0,2,0,0,0,0|1,0,0]=3 11207 B13R0.88 COCC(C)OCCCOCC(=O)O 00a0042dbb9d34261c15f8efde7f5a80 [0,2,0,0,0,0|2,0,0]=4 11208 B13R0.88 COCC(C)OCCOCCC(=O)O 28a55ab1c9d7f902108e32d79f2ecb51 [0,2,0,0,0,0|2,0,0]=4 11209 B13R0.88 COCC(O)CNCCCCC(=O)C 9b32c60762c3ca07c4d875fd47ca6c56 [0,2,0,0,0,0|2,0,0]=4 11210 B13R0.88 COCC(O)CNCCCCC(=O)N 9dc1b8aa357f5b7ecc488534bb1fd32c [0,2,0,0,0,0|2,0,0]=4 11211 B13R0.88 COCC(O)CNCCCCC(=O)O 93c6fc40c4f765752c2dc29a288cd440 [0,2,0,0,0,0|1,0,0]=3 11212 B13R0.88 COCC(O)CNCCOCC(=O)O 334a514711a5a182c892d3d8df6ada9d [0,2,0,0,0,0|2,0,0]=4 11213 B13R0.88 COCC(O)CNCCSCC(=O)O 8423abe9e4d0ce417988ae3176d82062 [0,2,0,0,0,0|2,0,0]=4 11214 B13R0.88 COCN(C)CCCCCCC(=O)O 51ac2eb96136d510d0445cbe53d4ed95 [0,2,0,0,0,0|1,0,0]=3 11215 B13R0.88 COC[C@@H](C)NCCCCCC(=O)C 92cbe8f4db48e77b6dc6f34698653e04 [0,2,0,0,0,0|2,0,0]=4 11216 B13R0.88 COC[C@@H](C)NCCCCCC(=O)N bb3b01db24b35b51b649e8ebfd6a8153 [0,2,0,0,0,0|2,0,0]=4 11217 B13R0.88 COC[C@@H](C)NCCCOCC(=O)O 4ef241ad95f4714f0e6b0f516812f7c1 [0,2,0,0,0,0|2,0,0]=4 11218 B13R0.88 COC[C@@H](C)NCCOCCC(=O)O fdd39ff29ab6354eb2ffb0d50c3ad4b2 [0,2,0,0,0,0|2,0,0]=4 11219 B13R0.88 COC[C@@H](C)OCCCCCC(=O)C 34efad385a523bbd100176ab5877b3c5 [0,2,0,0,0,0|2,0,0]=4 11220 B13R0.88 COC[C@@H](C)OCCCCCC(=O)N 8bce584cf1951b949b7afbcfc8fb211e [0,2,0,0,0,0|2,0,0]=4 11221 B13R0.88 COC[C@@H](C)OCCCOCC(=O)O 14a2c4871d2cf0b8e66c45a3cf92e5b8 [0,2,0,0,0,0|2,0,0]=4 11222 B13R0.88 COC[C@@H](C)OCCOCCC(=O)O 4a6a5afa76cc2bc18468da2bd39a9f0b [0,2,0,0,0,0|2,0,0]=4 11223 B13R0.88 COC[C@@H](O)CNCCCCC(=O)C c6129cb92e02e189bbd8b3447064677f [0,2,0,0,0,0|2,0,0]=4 11224 B13R0.88 COC[C@@H](O)CNCCCCC(=O)N 60cbf598bfb2a28c8b09a7e90cfa0654 [0,2,0,0,0,0|2,0,0]=4 11225 B13R0.88 COC[C@@H](O)CNCCCCC(=O)O 35b12ab28f833cc6d7f3537b73a0da3e [0,2,0,0,0,0|1,0,0]=3 11226 B13R0.88 COC[C@@H](O)CNCCOCC(=O)O aadb4ece9896444fd99ce7dc5ddbe6f7 [0,2,0,0,0,0|2,0,0]=4 11227 B13R0.88 COC[C@H](C)COCCCCC(=O)C 5cd0f97d5217f1cc19f56eaeb34843fc [0,2,0,0,0,0|2,0,0]=4 11228 B13R0.88 COC[C@H](C)COCCOCC(=O)O 97189f0134da2746d8bf7dd3ae6b35b0 [0,2,0,0,0,0|2,0,0]=4 11229 B13R0.88 COC[C@H](C)NCCCCCC(=O)C 223ccec5a88a7011bde9883a8f6a3d0e [0,2,0,0,0,0|2,0,0]=4 11230 B13R0.88 COC[C@H](C)NCCCCCC(=O)N c9c2dbba4ee6bc69aa96936a58cc7380 [0,2,0,0,0,0|2,0,0]=4 11231 B13R0.88 COC[C@H](C)NCCCOCC(=O)O 0dc2d9091656583253a7a92be277f48c [0,2,0,0,0,0|2,0,0]=4 11232 B13R0.88 COC[C@H](C)NCCOCCC(=O)O a291635f23f4253a013c372ad9db8ad4 [0,2,0,0,0,0|2,0,0]=4 11233 B13R0.88 COC[C@H](C)OCCCCCC(=O)C b5aeab015904883539fa9e53a0030620 [0,2,0,0,0,0|2,0,0]=4 11234 B13R0.88 COC[C@H](C)OCCCCCC(=O)N fe0e13720b2c2088127f29082231495e [0,2,0,0,0,0|2,0,0]=4 11235 B13R0.88 COC[C@H](C)OCCCOCC(=O)O 01d5049c8c1619463cb3881fd4a0937b [0,2,0,0,0,0|2,0,0]=4 11236 B13R0.88 COC[C@H](C)OCCOCCC(=O)O 4e983530681e6aeb5d2edfb946e84f4d [0,2,0,0,0,0|2,0,0]=4 11237 B13R0.88 CSCC(C)OCCCCCC(=O)C c392640538b9d206540a2c0d17a1a86a [0,2,0,0,0,0|2,0,0]=4 11238 B13R0.88 CSCC(C)OCCCCCC(=O)N 29d153adc01ccdaafa16de39ca73c96e [0,2,0,0,0,0|2,0,0]=4 11239 B13R0.88 CSCC(C)OCCCOCC(=O)O 319c6a259f3f9046022aa6dab76840e9 [0,2,0,0,0,0|2,0,0]=4 11240 B13R0.88 CSCC(C)OCCOCCC(=O)O ffbb9a17b0c9e94b35e51363fca8c269 [0,2,0,0,0,0|2,0,0]=4 11241 B13R0.88 CSCN(C)CCCCCCC(=O)O 7b19fcccd3c658735c5afc6faa10a289 [0,2,0,0,0,0|1,0,0]=3 11242 B13R0.88 C[C@@H](CCO)NCCCCCC(=O)N 6963e060f8a35cbee843bd6cdac5d349 [0,2,0,0,0,0|2,0,0]=4 11243 B13R0.88 C[C@@H](CCO)NCCCCCC(=O)O 76f5842c740a46d22146d99684a0b75e [0,2,0,0,0,0|1,0,0]=3 11244 B13R0.88 C[C@@H](CCO)NCCCOCC(=O)O 31157f5f8c8a4e898ee2373fd367fcff [0,2,0,0,0,0|2,0,0]=4 11245 B13R0.88 C[C@@H](CCO)NCCOCCC(=O)O 77105c801b4dba2c5efdcfea69213daa [0,2,0,0,0,0|2,0,0]=4 11246 B13R0.88 C[C@H](CCO)NCCCCCC(=O)N de433afd86145ed866eff22d47be19c9 [0,2,0,0,0,0|2,0,0]=4 11247 B13R0.88 C[C@H](CCO)NCCCCCC(=O)O 583b28e1ae83c2447ea921dfb2a6b8c2 [0,2,0,0,0,0|1,0,0]=3 11248 B13R0.88 C[C@H](CCO)NCCCOCC(=O)O 36f341e814a710cd349b00338f71c27e [0,2,0,0,0,0|2,0,0]=4 11249 B13R0.88 C[C@H](CCO)NCCOCCC(=O)O dfcc3c512f9e4393d1645f2c14a37348 [0,2,0,0,0,0|2,0,0]=4 11250 B13R0.88 N#CCC(O)CNCCCCC(=O)O 4f7c04290e6a5f5623a4c1139443e9da [0,2,0,0,0,0|1,0,1]=4 11251 B13R0.88 N#CC[C@@H](O)CNCCCCC(=O)O f536102ddedbbfeca9166eaa51e9267f [0,2,0,0,0,0|1,0,1]=4 11252 B13R0.88 N#CC[C@H](O)CNCCCCC(=O)O 62299df6f525e8a53b69f7abb98c3f88 [0,2,0,0,0,0|1,0,1]=4 11253 B13R0.88 NC(=O)CCCCNC[C@@H](O)CCO 3168966f5c757224e3898dd4ad26a5d6 [0,2,0,0,0,0|2,0,0]=4 11254 B13R0.88 NC(=O)CCCCOC[C@@H](O)CCO d68cb26961598105aaa999bd48472dac [0,2,0,0,0,0|2,0,0]=4 11255 B13R0.88 O=C(O)CCCCOC[C@@H](O)CCO bcf9c98985201c49adc7b938f7aadb0a [0,2,0,0,0,0|1,0,0]=3 11256 B13R0.88 O=C(O)CNCCCCS(=O)CCO b7531a64ff6a539fb62295b565b8c43a [0,2,0,0,0,0|2,0,0]=4 11257 B13R0.88 O=C(O)COCCNC[C@@H](O)CCO e081ebb294d8c55a5e18ed7360fc5d8d [0,2,0,0,0,0|2,0,0]=4 11258 B13R0.88 O=C(O)COCCOC[C@@H](O)CCO d38e66f72da2aced6f76c3f5d6ddc387 [0,2,0,0,0,0|2,0,0]=4 11259 B13R0.101 CCC(=O)C(C)NCCCCC(=O)O ca6a2b2735771dab71d430b920967838 [0,2,0,0,0,0|1,0,1]=4 11260 B13R0.101 CCC(C)C(=O)CNCCCC(=O)O dd48894cc12057aa2e69374e10404225 [0,2,0,0,0,0|1,0,1]=4 11261 B13R0.101 CCC(C)C(C)NCCCCC(=O)C c14c6678309cc48ff75feef060bab8c3 [0,2,0,0,0,0|2,0,0]=4 11262 B13R0.101 CCC(C)C(C)NCCCCC(=O)N 8bf08b0851376888239da964447727f6 [0,2,0,0,0,0|2,0,0]=4 11263 B13R0.101 CCC(C)C(C)NCCCCC(=O)O f03efd4999d40acd7384abb29637bfbe [0,2,0,0,0,0|1,0,0]=3 11264 B13R0.101 CCC(C)C(C)NCCOCC(=O)O b237d09856acd7c2ad0c9bf09be8bbcf [0,2,0,0,0,0|2,0,0]=4 11265 B13R0.101 CCC(C)C(C)OCCCCC(=O)C 94975ee22e00cc8f4a63c2b21e499fa9 [0,2,0,0,0,0|2,0,0]=4 11266 B13R0.101 CCC(C)C(C)OCCCCC(=O)N 9c4c15f9140949b34f1b10fa9b95610b [0,2,0,0,0,0|2,0,0]=4 11267 B13R0.101 CCC(C)C(C)OCCOCC(=O)O d95550aacfb84976df55577c3a4a1d61 [0,2,0,0,0,0|2,0,0]=4 11268 B13R0.101 CCC(C)N(C)CCCCCC(=O)C 1a157db82ee7343772ed5a5d445d6ff1 [0,2,0,0,0,0|2,0,0]=4 11269 B13R0.101 CCC(C)N(C)CCCCCC(=O)N c1e4255868a4cd12e037a97bedc6e32e [0,2,0,0,0,0|2,0,0]=4 11270 B13R0.101 CCC(C)N(C)CCCOCC(=O)O 2d65bb63fefb484e14b8aa256e6970e4 [0,2,0,0,0,0|2,0,0]=4 11271 B13R0.101 CCC(C)N(C)CCNCCC(=O)O 855c0c87fc8a7c664e76ce1932d9fd6f [0,2,0,0,0,0|2,0,0]=4 11272 B13R0.101 CCC(C)N(C)CCOCCC(=O)O 8df2322e987bf6d49c45f741c6a31359 [0,2,0,0,0,0|2,0,0]=4 11273 B13R0.101 CCC(S)C(C)COCCCC(=O)C 1d1f57c5b82e9896d49638d5271c1cf5 [0,2,0,0,0,0|2,0,0]=4 11274 B13R0.101 CCC(S)C(C)COCCCC(=O)N f311501badbb7a63daa25d798aaba4f5 [0,2,0,0,0,0|2,0,0]=4 11275 B13R0.101 CCN(C)C(C)CCNCCC(=O)O 53a3e9af1877c10afc163eb51ef1eabd [0,2,0,0,0,0|2,0,0]=4 11276 B13R0.180 C=C(C)CCCNCCC(O)C(=O)O c39e82ff400d5da2b4652731f77bc5ff [0,2,0,0,0,0|1,0,1]=4 11277 B13R0.180 C=C(C)CCCNCC[C@H](O)C(=O)O 4eb9e430e5b31b7da4f1f7fa92af6c33 [0,2,0,0,0,0|1,0,1]=4 11278 B13R0.180 C=C(C)CCNCCCC(C)C(=O)O cb0610d66b78ce50ff336404d85c9c08 [0,2,0,0,0,0|1,0,1]=4 11279 B13R0.180 C=C(C)CCOCCCC(C)C(=O)O 78283e219c7493f2e4a5904ae1927ef9 [0,2,0,0,0,0|1,0,1]=4 11280 B13R0.180 C=C(COCCCCC(C)C)C(=O)O 4e700f8ca727ff9cbc795884edc1f41e [0,2,0,0,0,0|1,0,1]=4 11281 B13R0.180 CC(=O)C(C)CCNCCCC(C)C 915a0861767db10f106369a845af8dee [0,2,0,0,0,0|2,0,0]=4 11282 B13R0.180 CC(=O)C(C)CCOCCCC(C)C eaed83212f6cb11040e49b7635f5416c [0,2,0,0,0,0|2,0,0]=4 11283 B13R0.180 CC(=O)C(C)COCCCCC(C)C 01841bf5f16ba4d15c334c7944ac5bd1 [0,2,0,0,0,0|2,0,0]=4 11284 B13R0.180 CC(=O)C(C)NCCCCCC(=O)O 69ddac5877a6518d67ac33c75dd56431 [0,2,0,0,0,0|1,0,1]=4 11285 B13R0.180 CC(=O)C(C)NCCCCCC(C)C 8227773d8578b047799425f781e107c1 [0,2,0,0,0,0|2,0,0]=4 11286 B13R0.180 CC(=O)C(C)OCCCCCC(C)C e38ae60cc78a8b1bdb9fff8914192a42 [0,2,0,0,0,0|2,0,0]=4 11287 B13R0.180 CC(=O)CCCCCNC(C)C(=O)O a177d63caeb09d7ee50062be8c113301 [0,2,0,0,0,0|1,0,1]=4 11288 B13R0.180 CC(=O)CCCCCNC(C)C(C)C 8a2e84cac0b312166d20c055bbd6ae86 [0,2,0,0,0,0|2,0,0]=4 11289 B13R0.180 CC(=O)CCCCCNC(C)C(C)O ee37ae6c1986955f118275447e226b9f [0,2,0,0,0,0|2,0,0]=4 11290 B13R0.180 CC(=O)CCCCCNC(O)C(=O)O 76cba0cdbbbf181fb5783528abf68f63 [0,2,0,0,0,0|1,0,1]=4 11291 B13R0.180 CC(=O)CCCCCN[C@@H](C)C(=O)O 04f0a63dd745710b37347932cf5fe8dd [0,2,0,0,0,0|1,0,1]=4 11292 B13R0.180 CC(=O)CCCCCN[C@@H](C)C(C)C 28fdc7e8fe18b907fae34a2cefe46573 [0,2,0,0,0,0|2,0,0]=4 11293 B13R0.180 CC(=O)CCCCCN[C@H](C)C(=O)O 5ff71e074ad87dbb586a55bea8c490e3 [0,2,0,0,0,0|1,0,1]=4 11294 B13R0.180 CC(=O)CCCCCN[C@H](C)C(C)C adf86403fe6a940ad43059dae2c569e6 [0,2,0,0,0,0|2,0,0]=4 11295 B13R0.180 CC(=O)CCCCCOC(C)C(=O)O d8344f4ffef35539a43a6f9c0e9c69fc [0,2,0,0,0,0|1,0,1]=4 11296 B13R0.180 CC(=O)CCCCCOC(C)C(C)C 880db01a3a8f213a6d165388f6858f80 [0,2,0,0,0,0|2,0,0]=4 11297 B13R0.180 CC(=O)CCCCCOC(C)C(C)S 614181eec3309fd427a9bbfe402a2b17 [0,2,0,0,0,0|2,0,0]=4 11298 B13R0.180 CC(=O)CCCCCO[C@@H](C)C(=O)O de69450a0d889627c1851bc40ef123e1 [0,2,0,0,0,0|1,0,1]=4 11299 B13R0.180 CC(=O)CCCCCO[C@@H](C)C(C)C 25c4e8ff845ca50a8833cebedc93e847 [0,2,0,0,0,0|2,0,0]=4 11300 B13R0.180 CC(=O)CCCCCO[C@H](C)C(=O)O 00b626ce7eb639e1467e2bc75d44e49b [0,2,0,0,0,0|1,0,1]=4 11301 B13R0.180 CC(=O)CCCCCO[C@H](C)C(C)C 05d7fe11e1ea878f3625bdf8424e79ac [0,2,0,0,0,0|2,0,0]=4 11302 B13R0.180 CC(=O)CCCCNCC(C)C(=O)O 8f69dc2186dc18f982ba9d55ceb8ca8f [0,2,0,0,0,0|1,0,1]=4 11303 B13R0.180 CC(=O)CCCCNCC(F)C(=O)O a919b057b71d18c9729e0d3a89716842 [0,2,0,0,0,0|1,0,1]=4 11304 B13R0.180 CC(=O)CCCCNCC(O)C(=O)O 025dae0714e926c36aebb90a3e830930 [0,2,0,0,0,0|1,0,1]=4 11305 B13R0.180 CC(=O)CCCCNCC(O)C(C)C d3a70362846169f334577bb457f2064e [0,2,0,0,0,0|2,0,0]=4 11306 B13R0.180 CC(=O)CCCCNC[C@@H](C)C(=O)O e824f7500ada446a5adb29ba54430b3c [0,2,0,0,0,0|1,0,1]=4 11307 B13R0.180 CC(=O)CCCCNC[C@@H](O)C(=O)O 24f4c7d83b37cc787baa93b12394fdd4 [0,2,0,0,0,0|1,0,1]=4 11308 B13R0.180 CC(=O)CCCCNC[C@H](C)C(=O)O 10b247997e92ba42c1e464f487a87401 [0,2,0,0,0,0|1,0,1]=4 11309 B13R0.180 CC(=O)CCCCNC[C@H](O)C(=O)O d3fca6afc06264566ebcbdeec1797d64 [0,2,0,0,0,0|1,0,1]=4 11310 B13R0.180 CC(=O)CCCCOCC(C)C(=O)O 170185d74a69f32e58b98d6fd44d17fb [0,2,0,0,0,0|1,0,1]=4 11311 B13R0.180 CC(=O)CCCCOCC(C)C(C)C eb3ca187ca70a15006098cd955cf696a [0,2,0,0,0,0|2,0,0]=4 11312 B13R0.180 CC(=O)CCCCOC[C@@H](C)C(=O)O 4103ec1b72096dfaeefbc5b63909aba2 [0,2,0,0,0,0|1,0,1]=4 11313 B13R0.180 CC(=O)CCCCOC[C@H](C)C(=O)O 3ad626b09b0e6c62d8fb578a948caf78 [0,2,0,0,0,0|1,0,1]=4 11314 B13R0.180 CC(=O)CCCNCCC(F)C(=O)O 3a1235478f59043919f7236619524fec [0,2,0,0,0,0|1,0,1]=4 11315 B13R0.180 CC(=O)CCCNCCC(O)C(=O)O c8e7d7105a18a5c126281845edca50af [0,2,0,0,0,0|1,0,1]=4 11316 B13R0.180 CC(=O)CCCNCC[C@H](O)C(=O)O c9dd38291f8aba515ac4bc683c8da3a5 [0,2,0,0,0,0|1,0,1]=4 11317 B13R0.180 CC(=O)CCCOCCC(C)C(C)C 56e81800a3b6f5777f0f4d70f96c8331 [0,2,0,0,0,0|2,0,0]=4 11318 B13R0.180 CC(=O)CCOCCCC(C)C(=O)O 65c29076e386aa6215110d15ee4dd821 [0,2,0,0,0,0|1,0,1]=4 11319 B13R0.180 CC(C)C(=O)CNCCCCC(=O)O ed983176553b9fc33df687a43146d16b [0,2,0,0,0,0|1,0,1]=4 11320 B13R0.180 CC(C)C(=O)COCCCCC(=O)O d55db046695bab5a3d7a3eea7cbaf0c9 [0,2,0,0,0,0|1,0,1]=4 11321 B13R0.180 CC(C)C(C)CCOCCCC(=O)N 8ee0ce608526651d7f67259573275362 [0,2,0,0,0,0|2,0,0]=4 11322 B13R0.180 CC(C)C(C)CNCCCCC(=O)N 05d4cbdace1720e2a21dec8d2af80f4e [0,2,0,0,0,0|2,0,0]=4 11323 B13R0.180 CC(C)C(C)CNCCCCC(=O)O 1b805027246607e1ad0191113f9d84ba [0,2,0,0,0,0|1,0,0]=3 11324 B13R0.180 CC(C)C(C)CNCCOCC(=O)O cb082ca1406e5312bcbdfff34c54d144 [0,2,0,0,0,0|2,0,0]=4 11325 B13R0.180 CC(C)C(C)CNCCSCC(=O)O 9e170b14468cd560a5d0f89d8ad22857 [0,2,0,0,0,0|2,0,0]=4 11326 B13R0.180 CC(C)C(C)COCCCCC(=O)N 8565b02730b37f386475eab7bb52246a [0,2,0,0,0,0|2,0,0]=4 11327 B13R0.180 CC(C)C(C)COCCCCC(=O)O bd3853c72942aa9d86ead67310c11e7a [0,2,0,0,0,0|1,0,0]=3 11328 B13R0.180 CC(C)C(C)COCCOCC(=O)O f203357a56a654001178817b9a49e17d [0,2,0,0,0,0|2,0,0]=4 11329 B13R0.180 CC(C)C(C)NCCCCCC(=O)N ae7165db0a8ab0a364dc37e822d5bbb2 [0,2,0,0,0,0|2,0,0]=4 11330 B13R0.180 CC(C)C(C)NCCCCCC(=O)O 623917dc0e8dcdbdab3be53a9f4a07b2 [0,2,0,0,0,0|1,0,0]=3 11331 B13R0.180 CC(C)C(C)NCCCOCC(=O)O 72ccd9ead875b3708625aba71e99f390 [0,2,0,0,0,0|2,0,0]=4 11332 B13R0.180 CC(C)C(C)NCCOCCC(=O)O 39b7bd5f2f9680508f9b3bdb63ed8e1a [0,2,0,0,0,0|2,0,0]=4 11333 B13R0.180 CC(C)C(C)OCCCCCC(=O)N fd3509c277a772d5e3d7ca2ed431ecf0 [0,2,0,0,0,0|2,0,0]=4 11334 B13R0.180 CC(C)C(C)OCCCCCC(=O)O 8b6ef89f5c71399e3ff2b90a239bb6ae [0,2,0,0,0,0|1,0,0]=3 11335 B13R0.180 CC(C)C(C)OCCCOCC(=O)O 078b8e9e88508410098a65befcf0d7a1 [0,2,0,0,0,0|2,0,0]=4 11336 B13R0.180 CC(C)C(C)OCCOCCC(=O)O 669303d41c9307069423449332daf758 [0,2,0,0,0,0|2,0,0]=4 11337 B13R0.180 CC(C)C(O)CNCCCCC(=O)N bba51069465905cb5216226dc64eefdd [0,2,0,0,0,0|2,0,0]=4 11338 B13R0.180 CC(C)C(O)CNCCOCC(=O)O e0f9c8a0c8d14a00e9e6c794943ad596 [0,2,0,0,0,0|2,0,0]=4 11339 B13R0.180 CC(C)CCCCCNC(C)C(=O)N 23c0438419ea92549eb6ec497039f6f1 [0,2,0,0,0,0|2,0,0]=4 11340 B13R0.180 CC(C)CCCCCNC(C)C(=O)O 5331d1d2caeb99c8270c1071a502c710 [0,2,0,0,0,0|1,0,0]=3 11341 B13R0.180 CC(C)CCCCCNC(F)C(=O)N 4c6fab996832b940cc5b46652007dd50 [0,2,0,0,0,0|2,0,0]=4 11342 B13R0.180 CC(C)CCCCCNC(O)C(=O)O 936255b5d1b60697ce4391f1068821af [0,2,0,0,0,0|1,0,0]=3 11343 B13R0.180 CC(C)CCCCCN[C@@H](C)C(=O)N e6b729fcb0584464124b75218d60f02a [0,2,0,0,0,0|2,0,0]=4 11344 B13R0.180 CC(C)CCCCCN[C@@H](C)C(=O)O 8a61d57426a32c2d59090c17aab5bcd2 [0,2,0,0,0,0|1,0,0]=3 11345 B13R0.180 CC(C)CCCCCN[C@H](C)C(=O)N 2f8493b6d99c48bfec04b254f4d6b0a5 [0,2,0,0,0,0|2,0,0]=4 11346 B13R0.180 CC(C)CCCCCN[C@H](C)C(=O)O 595485d628fea02428a173c5dc4d66c2 [0,2,0,0,0,0|1,0,0]=3 11347 B13R0.180 CC(C)CCCCCOC(C)C(=O)N ad23c4b4ab520a43676576f1d8af2fbf [0,2,0,0,0,0|2,0,0]=4 11348 B13R0.180 CC(C)CCCCCOC(C)C(=O)O b5dac2d16dac4df5d4d384916a973ca3 [0,2,0,0,0,0|1,0,0]=3 11349 B13R0.180 CC(C)CCCCCOC(F)C(=O)N 90cc8ca89f566e376c592ee2d9ccdaed [0,2,0,0,0,0|2,0,0]=4 11350 B13R0.180 CC(C)CCCCCO[C@@H](C)C(=O)N 8c1fd5baa6c8d224b3b1a4a13f649aa0 [0,2,0,0,0,0|2,0,0]=4 11351 B13R0.180 CC(C)CCCCCO[C@@H](C)C(=O)O 5c89b9274a86913b9c8efc7c53651165 [0,2,0,0,0,0|1,0,0]=3 11352 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)N 9def6a7346f5fb03e361ad2080884cb4 [0,2,0,0,0,0|2,0,0]=4 11353 B13R0.180 CC(C)CCCCCO[C@H](C)C(=O)O d87d65d0ce4d57c383a40fb424d70350 [0,2,0,0,0,0|1,0,0]=3 11354 B13R0.180 CC(C)CCCCNCC(C)C(=O)O fc8d86e4865ee890db7fab4c3f8ebf25 [0,2,0,0,0,0|1,0,0]=3 11355 B13R0.180 CC(C)CCCCNCC(F)C(=O)O 04fb9da30af21084188f93f262203dfa [0,2,0,0,0,0|1,0,0]=3 11356 B13R0.180 CC(C)CCCCNCC(O)C(=O)O aedbaaba6a75d3b7cb14d820d53e886b [0,2,0,0,0,0|1,0,0]=3 11357 B13R0.180 CC(C)CCCCNC[C@@H](C)C(=O)O baba28c468fa7cddfb1ffd1cd5a8bb2f [0,2,0,0,0,0|1,0,0]=3 11358 B13R0.180 CC(C)CCCCNC[C@@H](O)C(=O)O 679f5cfdb4e31b787f257528e46ce739 [0,2,0,0,0,0|1,0,0]=3 11359 B13R0.180 CC(C)CCCCNC[C@H](C)C(=O)O 7e365a9eaefd2c045178ff3683024451 [0,2,0,0,0,0|1,0,0]=3 11360 B13R0.180 CC(C)CCCCNC[C@H](O)C(=O)O d321abe02602f28e8985d9efe2be34f0 [0,2,0,0,0,0|1,0,0]=3 11361 B13R0.180 CC(C)CCCCOCC(=O)C(=O)O 2c82e24513593dd1f1e14d03970cfa0c [0,2,0,0,0,0|1,0,1]=4 11362 B13R0.180 CC(C)CCCCOCC(C)C(=O)O 48af86bf5f807fab10b8ac67f565f36c [0,2,0,0,0,0|1,0,0]=3 11363 B13R0.180 CC(C)CCCCOC[C@@H](C)C(=O)O c6e812e1880bb1a9b5ddc0d63bcbae63 [0,2,0,0,0,0|1,0,0]=3 11364 B13R0.180 CC(C)CCCCOC[C@H](C)C(=O)O c57fffd0160866eafe9858c06058affd [0,2,0,0,0,0|1,0,0]=3 11365 B13R0.180 CC(C)CCCNCCC(F)C(=O)O dde7b15bc8cbd4d6b05c8a8787edb00b [0,2,0,0,0,0|1,0,0]=3 11366 B13R0.180 CC(C)CCCNCCC(O)C(=O)O dc1e86438f1f7b70b4cd5410c0babb25 [0,2,0,0,0,0|1,0,0]=3 11367 B13R0.180 CC(C)CCCNCC[C@H](O)C(=O)O c56f7e6c0687403fed8643b27cd0b3d7 [0,2,0,0,0,0|1,0,0]=3 11368 B13R0.180 CC(C)CCNCCCC(C)C(=O)O 69849a19ec119ac7903e42771ac3463b [0,2,0,0,0,0|1,0,0]=3 11369 B13R0.180 CC(C)CCOCCCC(C)C(=O)O 6c0288247c03bcd6c923aa82af1cd851 [0,2,0,0,0,0|1,0,0]=3 11370 B13R0.180 CC(C)CNCCSCC(C)C(=O)O 67683276cc0dd73f6e9d5391e8c0e95f [0,2,0,0,0,0|2,0,0]=4 11371 B13R0.180 CC(C)COCCCOC(F)C(=O)O 4e53eab35bfbe758e151bc8109cd62bd [0,2,0,0,0,0|2,0,0]=4 11372 B13R0.180 CC(C)COCCCO[C@@H](F)C(=O)O 07d53a4a605e0e2729851b26c9155ccb [0,2,0,0,0,0|2,0,0]=4 11373 B13R0.180 CC(C)COCCNCC(C)C(=O)O ad6618d184c1a7fc995ae8430eaec465 [0,2,0,0,0,0|2,0,0]=4 11374 B13R0.180 CC(C)COCCNCC(F)C(=O)O 29072a41f576ced28d3d6e1f5bb6ad46 [0,2,0,0,0,0|2,0,0]=4 11375 B13R0.180 CC(C)COCCNCC(O)C(=O)O 377667899515c7ea4eccd0db354e9e64 [0,2,0,0,0,0|2,0,0]=4 11376 B13R0.180 CC(C)COCCNC[C@@H](C)C(=O)O 796175c0155fa073e493de57fec4d194 [0,2,0,0,0,0|2,0,0]=4 11377 B13R0.180 CC(C)COCCNC[C@@H](O)C(=O)O bc7af37231ca72396dea0759650e4531 [0,2,0,0,0,0|2,0,0]=4 11378 B13R0.180 CC(C)COCCNC[C@H](C)C(=O)O 21d1bea7c06d3286ba7d1ef43f75250c [0,2,0,0,0,0|2,0,0]=4 11379 B13R0.180 CC(C)COCCNC[C@H](O)C(=O)O 6e761c05066dc8278ec2edced3e71ae9 [0,2,0,0,0,0|2,0,0]=4 11380 B13R0.180 CC(C)COCCOCC(C)C(=O)O 7a31176731d36d9ff282c462bc78a608 [0,2,0,0,0,0|2,0,0]=4 11381 B13R0.180 CC(C)COCCOC[C@@H](C)C(=O)O ad2e4dc9e296b9d6e4ee02735578d49c [0,2,0,0,0,0|2,0,0]=4 11382 B13R0.180 CC(C)COCCOC[C@H](C)C(=O)O 2b29bafbba8c01aae69e7d63f51000b3 [0,2,0,0,0,0|2,0,0]=4 11383 B13R0.180 CC(C)CSCCOCC(C)C(=O)O 06cf8dfe9a1fe0188852bf2e0ebde42e [0,2,0,0,0,0|2,0,0]=4 11384 B13R0.180 CC(C)N(C)CCCCCCC(=O)O ae76ea6d2d977ee417d1d51dc8137404 [0,2,0,0,0,0|1,0,0]=3 11385 B13R0.180 CC(C)OCCCNCC(C)C(=O)O 657eb454ba4e61b17949fd7e7de15a14 [0,2,0,0,0,0|2,0,0]=4 11386 B13R0.180 CC(C)OCCCNCC(O)C(=O)O 8aa68983b69e567e0836ebfca8bc41cd [0,2,0,0,0,0|2,0,0]=4 11387 B13R0.180 CC(C)OCCCNC[C@H](O)C(=O)O d114c31ea09ed68e7e05ee260460289e [0,2,0,0,0,0|2,0,0]=4 11388 B13R0.180 CC(C)OCCCOCC(C)C(=O)O 24c3fda51106d7fb9459429d5df11fe1 [0,2,0,0,0,0|2,0,0]=4 11389 B13R0.180 CC(C)OCCNCCC(F)C(=O)O 68ed4bc816dd97dd064a055b000fd5d9 [0,2,0,0,0,0|2,0,0]=4 11390 B13R0.180 CC(C)OCCNCCC(O)C(=O)O cb0c91291d7cea071a0d5149800b4167 [0,2,0,0,0,0|2,0,0]=4 11391 B13R0.180 CC(C)OCCNCC[C@H](O)C(=O)O 298c5314b4717b49138da348a62fea63 [0,2,0,0,0,0|2,0,0]=4 11392 B13R0.180 CC(C)SCCCNCC(C)C(=O)O 13eada2bbe6dcb2eb87e501f22661183 [0,2,0,0,0,0|2,0,0]=4 11393 B13R0.180 CC(C)SCCCNCC(O)C(=O)O 7831f965bd8e652b0c78dc675a983bcf [0,2,0,0,0,0|2,0,0]=4 11394 B13R0.180 CC(C)SCCCNC[C@H](O)C(=O)O 2b19876309728fd3dc6e8594b3e17301 [0,2,0,0,0,0|2,0,0]=4 11395 B13R0.180 CC(C)SCCCOCC(C)C(=O)O 59444c51d89af8e17442d591aed06f7a [0,2,0,0,0,0|2,0,0]=4 11396 B13R0.180 CC(C)SCCNCCC(O)C(=O)O 2689e889e25c9591b3b64eba06f8cc57 [0,2,0,0,0,0|2,0,0]=4 11397 B13R0.180 CC(C)SCCNCC[C@H](O)C(=O)O 99d2783975fa603e15ee7025d7968d11 [0,2,0,0,0,0|2,0,0]=4 11398 B13R0.180 CC(C)[C@@H](C)NCCCCCC(=O)N 5040f0dd546658d2fa64de994e859979 [0,2,0,0,0,0|2,0,0]=4 11399 B13R0.180 CC(C)[C@@H](C)NCCCOCC(=O)O 336dcb5f15c1efe36aa11a2dbb3fa12b [0,2,0,0,0,0|2,0,0]=4 11400 B13R0.180 CC(C)[C@@H](C)NCCOCCC(=O)O d2de5ee8f76d91f6c91ef8726e36fd86 [0,2,0,0,0,0|2,0,0]=4 11401 B13R0.180 CC(C)[C@@H](C)OCCCCCC(=O)N f5395e323f76c378420e7436d50e9c3b [0,2,0,0,0,0|2,0,0]=4 11402 B13R0.180 CC(C)[C@@H](C)OCCCOCC(=O)O f1d219c2f3d94e5ce14106cf5a4753ce [0,2,0,0,0,0|2,0,0]=4 11403 B13R0.180 CC(C)[C@@H](C)OCCOCCC(=O)O 810d93922179bd50bd2ef82809dc6249 [0,2,0,0,0,0|2,0,0]=4 11404 B13R0.180 CC(C)[C@H](C)NCCCCCC(=O)N cc6420dfe69b218fad11a4e50a7c6440 [0,2,0,0,0,0|2,0,0]=4 11405 B13R0.180 CC(C)[C@H](C)NCCCOCC(=O)O 9d5aa3915c906e88782c6c9fe9be4b9b [0,2,0,0,0,0|2,0,0]=4 11406 B13R0.180 CC(C)[C@H](C)NCCOCCC(=O)O 2e4d095f31b1db69cff7ab37c98aad3d [0,2,0,0,0,0|2,0,0]=4 11407 B13R0.180 CC(C)[C@H](C)OCCCCCC(=O)N ffded2e1e6dfe815f1a9fbb8e7e9d359 [0,2,0,0,0,0|2,0,0]=4 11408 B13R0.180 CC(C)[C@H](C)OCCCOCC(=O)O 31741e1404e0376c267339b68277461f [0,2,0,0,0,0|2,0,0]=4 11409 B13R0.180 CC(C)[C@H](C)OCCOCCC(=O)O d9f2d0ab3325166dc08df347673ee441 [0,2,0,0,0,0|2,0,0]=4 11410 B13R0.180 CC(CCCNCCC(F)F)C(=O)O 7e316cfed9b5f67ef3993da299ad9859 [0,2,0,0,0,0|2,0,0]=4 11411 B13R0.180 CC(CCCNCCN(C)C)C(=O)O 9fdf4d8ffbee455e69f6d7f7545bf0b0 [0,2,0,0,0,0|2,0,0]=4 11412 B13R0.180 CC(CCCNCC[C@@H](C)O)C(=O)O 306db68df2f7b0888b99affd02c010c7 [0,2,0,0,0,0|1,0,0]=3 11413 B13R0.180 CC(CCCNCC[C@H](C)O)C(=O)O aad0699afb08e48ae3c0c25e199ddca4 [0,2,0,0,0,0|1,0,0]=3 11414 B13R0.180 CC(CCCOCCC(F)F)C(=O)O 09b1fde3512f3de1e9b6709a7703920a [0,2,0,0,0,0|2,0,0]=4 11415 B13R0.180 CC(CCCOCCN(C)C)C(=O)O 9cab62394ff73c855da3b7c7af54f4fc [0,2,0,0,0,0|2,0,0]=4 11416 B13R0.180 CC(CCCOCCS(=O)C)C(=O)O 416a1f6e78e71b4315c20820a8cdc6fe [0,2,0,0,0,0|2,0,0]=4 11417 B13R0.180 CC(CNCCCCC(F)F)C(=O)O c8937233386728198e9ce84417f6cd24 [0,2,0,0,0,0|2,0,0]=4 11418 B13R0.180 CC(CNCCCCN(C)C)C(=O)O 4ba096c3eae34bd0de0272d45b6a8224 [0,2,0,0,0,0|2,0,0]=4 11419 B13R0.180 CC(CNCCCC[C@@H](C)O)C(=O)O 19e4578e9326f0983821824abff681d9 [0,2,0,0,0,0|1,0,0]=3 11420 B13R0.180 CC(COCCCCN(C)C)C(=O)O fe60a009ed6967fbb0a1f1c7dba15e83 [0,2,0,0,0,0|2,0,0]=4 11421 B13R0.180 CC(CSCCNC[C@@H](C)O)C(=O)O 20dd0d94aa53d49dfd14d4836831b0c4 [0,2,0,0,0,0|2,0,0]=4 11422 B13R0.180 CC(CSCCNC[C@H](C)O)C(=O)O 947c7df666c3a469a81b46f51b7be5d4 [0,2,0,0,0,0|2,0,0]=4 11423 B13R0.180 CC(NCCCCCC(F)F)C(=O)O 6403720fd54e01665019300de83629fd [0,2,0,0,0,0|2,0,0]=4 11424 B13R0.180 CC(NCCCCCN(C)C)C(=O)O 10c17d525c8cf14814407b06e862efd8 [0,2,0,0,0,0|2,0,0]=4 11425 B13R0.180 CC(O)C(C)NCCCCCC(=O)N b1eac634a2c5ba9005c38abcba1bd740 [0,2,0,0,0,0|2,0,0]=4 11426 B13R0.180 CC(O)C(C)NCCCCCC(=O)O cd98fad0fbcaf7464af6d8aec9ed4785 [0,2,0,0,0,0|1,0,0]=3 11427 B13R0.180 CC(O)C(C)NCCCOCC(=O)O b8cdc36aaff067b5e8fd2cd3c3007754 [0,2,0,0,0,0|2,0,0]=4 11428 B13R0.180 CC(O)C(C)NCCOCCC(=O)O 01bb0e56970fe661ed36ac3e5b65a2e8 [0,2,0,0,0,0|2,0,0]=4 11429 B13R0.180 CC(O)CCCCNCC(C)C(=O)O 659595ee0c64c00d0ac347146eae88a6 [0,2,0,0,0,0|1,0,0]=3 11430 B13R0.180 CC(O)CCCCNCC(O)C(=O)O c54acf4e100f4eaea129962086d3e85e [0,2,0,0,0,0|1,0,0]=3 11431 B13R0.180 CC(O)CCCCNC[C@@H](C)C(=O)O 8e4e3f8a9d1c464109a53aaa208d20d2 [0,2,0,0,0,0|1,0,0]=3 11432 B13R0.180 CC(O)CCCCNC[C@@H](O)C(=O)O e39c8c1983367aa51ccd2772d99a787e [0,2,0,0,0,0|1,0,0]=3 11433 B13R0.180 CC(O)CCCCNC[C@H](C)C(=O)O 6dad5fb3ebd59d683435c86d264dd0b4 [0,2,0,0,0,0|1,0,0]=3 11434 B13R0.180 CC(O)CCCCNC[C@H](O)C(=O)O 97a971395902532b159111fdecf60461 [0,2,0,0,0,0|1,0,0]=3 11435 B13R0.180 CC(O)CCCNCCC(F)C(=O)O e7fe290a2e850820ea94120d82f9d359 [0,2,0,0,0,0|1,0,0]=3 11436 B13R0.180 CC(O)CCCNCCC(O)C(=O)O 16e4f2398225986c614d9bd84e914b37 [0,2,0,0,0,0|1,0,0]=3 11437 B13R0.180 CC(O)CCCNCC[C@H](O)C(=O)O a9234ebd77a4d7215496f951416db08d [0,2,0,0,0,0|1,0,0]=3 11438 B13R0.180 CC(O)CCNCCCC(C)C(=O)O c423ac192d5d23d3fecf476f158ec767 [0,2,0,0,0,0|1,0,0]=3 11439 B13R0.180 CC(O)CNCCSCC(C)C(=O)O 58d02e7143d74f3ca27190114153beeb [0,2,0,0,0,0|2,0,0]=4 11440 B13R0.180 CC(OCCCCCC(F)F)C(=O)O 2ccadc090c2b0f82114a96834d7450f6 [0,2,0,0,0,0|2,0,0]=4 11441 B13R0.180 CC(S)C(C)OCCCCCC(=O)N 502611dba3780d3f7c240eff9c6f8143 [0,2,0,0,0,0|2,0,0]=4 11442 B13R0.180 CC(S)C(C)OCCOCCC(=O)O db96646a5580f64d0d09cec1397c3828 [0,2,0,0,0,0|2,0,0]=4 11443 B13R0.180 CN(C)CCCCCNC(F)C(=O)O b7f0cac23c3cb771b181bb6340d938ea [0,2,0,0,0,0|2,0,0]=4 11444 B13R0.180 CN(C)CCCCNCC(F)C(=O)O 46a1e66944d56f2a8c05baa5a637e1f7 [0,2,0,0,0,0|2,0,0]=4 11445 B13R0.180 CN(C)CCCCNCC(O)C(=O)O 605e046444188d5e730aa054fbcf9f3c [0,2,0,0,0,0|2,0,0]=4 11446 B13R0.180 CN(C)CCCCNC[C@@H](O)C(=O)O 91a3f3abf83fe4146f3d6d959680fbee [0,2,0,0,0,0|2,0,0]=4 11447 B13R0.180 CN(C)CCCCNC[C@H](O)C(=O)O 254166053771c613ff958f22f5ab2624 [0,2,0,0,0,0|2,0,0]=4 11448 B13R0.180 CN(C)CCCNCCC(F)C(=O)O be8e095caf82ae26bc57ed853f986b7d [0,2,0,0,0,0|2,0,0]=4 11449 B13R0.180 CN(C)CCCNCCC(O)C(=O)O 467708549a6581dfb48b080917d5f648 [0,2,0,0,0,0|2,0,0]=4 11450 B13R0.180 CN(C)CCCNCC[C@H](O)C(=O)O 45bb76befd99fad4132484beeca6a9db [0,2,0,0,0,0|2,0,0]=4 11451 B13R0.180 C[C@@H](CNCCCCN(C)C)C(=O)O 0a2033b3961a16985e6df83f11067d8e [0,2,0,0,0,0|2,0,0]=4 11452 B13R0.180 C[C@@H](COCCCCN(C)C)C(=O)O dd0ff1c5eba17ceb1e2b2e53f4219ca0 [0,2,0,0,0,0|2,0,0]=4 11453 B13R0.180 C[C@@H](NCCCCCC(=O)O)C(F)F 8c11a377e7bbfb8b5b26a15c9d8fa3d8 [0,2,0,0,0,0|2,0,0]=4 11454 B13R0.180 C[C@@H](NCCCCCC(F)F)C(=O)O f81a257ed494dc7ce0a5a8fc537c5729 [0,2,0,0,0,0|2,0,0]=4 11455 B13R0.180 C[C@@H](NCCCCCN(C)C)C(=O)O da9783dd702fcc06bd43e18d4c3b319e [0,2,0,0,0,0|2,0,0]=4 11456 B13R0.180 C[C@@H](O)CCCCNCC(O)C(=O)O 6f9d54b93f933cca687d6142529ee4fc [0,2,0,0,0,0|1,0,0]=3 11457 B13R0.180 C[C@@H](O)CCCCNC[C@@H](O)C(=O)O 89819fb91072a8a0f25a399937c7e0d5 [0,2,0,0,0,0|1,0,0]=3 11458 B13R0.180 C[C@@H](O)CCCCNC[C@H](C)C(=O)O bbf0fc6c075044f6255cd62b69a18a41 [0,2,0,0,0,0|1,0,0]=3 11459 B13R0.180 C[C@@H](O)CCCCNC[C@H](O)C(=O)O 7b040a3a68db3efa9984ea566000165b [0,2,0,0,0,0|1,0,0]=3 11460 B13R0.180 C[C@@H](OCCCCCC(F)F)C(=O)O 839bb270a0a89178a444b1f4365b1200 [0,2,0,0,0,0|2,0,0]=4 11461 B13R0.180 C[C@H](CNCCCCN(C)C)C(=O)O d99e731ba366655d80a7ca5efc4b237b [0,2,0,0,0,0|2,0,0]=4 11462 B13R0.180 C[C@H](CNCCCC[C@@H](C)O)C(=O)O 16731572cd92da4a5c08d04eaf760917 [0,2,0,0,0,0|1,0,0]=3 11463 B13R0.180 C[C@H](COCCCCN(C)C)C(=O)O de6e744a51b4516e97d1fb262fd5c5ae [0,2,0,0,0,0|2,0,0]=4 11464 B13R0.180 C[C@H](NCCCCCC(=O)O)C(F)F b0ef77e7350da27211ff24ad62383633 [0,2,0,0,0,0|2,0,0]=4 11465 B13R0.180 C[C@H](NCCCCCC(F)F)C(=O)O 7ccf761f825cc48f9cee71a40e3ee2b0 [0,2,0,0,0,0|2,0,0]=4 11466 B13R0.180 C[C@H](NCCCCCN(C)C)C(=O)O caadefe79ad65663beb1645cd21fbcb1 [0,2,0,0,0,0|2,0,0]=4 11467 B13R0.180 C[C@H](OCCCCCC(F)F)C(=O)O 45c557206052a713cf5d83d50bcc9359 [0,2,0,0,0,0|2,0,0]=4 11468 B13R0.180 O=C(O)C(O)CNCCCCC(F)F 0d5a2d68fd5406201dbd2fd2456b94fc [0,2,0,0,0,0|2,0,0]=4 11469 B13R0.180 O=C(O)C(O)NCCCCCC(F)F 59ec9ad6f8f56126ea773cf83d94546f [0,2,0,0,0,0|2,0,0]=4 11470 B13R0.180 O=C(O)CCCCNCC(O)C(F)F f37dfc2126c3fc5dbe25878d4d01c316 [0,2,0,0,0,0|2,0,0]=4 11471 B13R0.180 O=C(O)[C@@H](O)CNCCCCC(F)F 8127baee48a08cefbb1865f3d4dc8e75 [0,2,0,0,0,0|2,0,0]=4 11472 B13R0.201 C=C(CC)CNCCCCC(=O)OC 801c552b2c1744da360846289c1f98b4 [0,2,0,0,0,0|1,0,1]=4 11473 B13R0.201 C=C(CC)COCCCCC(=O)OC dd69378be2e3ef0466dd66a234474da3 [0,2,0,0,0,0|1,0,1]=4 11474 B13R0.201 C=C(COCCCCC(C)CC)OC 44998710a36859a97f73e2bf0c1e9aba [0,2,0,0,0,0|2,0,0]=4 11475 B13R0.201 C=C(COCCCC[C@@H](C)CC)OC 05b94f6b51d335dd9be838c6af4a5cf6 [0,2,0,0,0,0|2,0,0]=4 11476 B13R0.201 C=CC(=O)CCCNCCC(C)CC 5b4dad0574e24d425efebe484b49064b [0,2,0,0,0,0|2,0,0]=4 11477 B13R0.201 C=CC(=O)CCCOCCC(C)CC edd9cbbe51f8ff6944405eff2482b91f [0,2,0,0,0,0|2,0,0]=4 11478 B13R0.201 C=CC(=O)CCCOCCC(S)CC 3474204e3f295e7e6c377cf66a105420 [0,2,0,0,0,0|2,0,0]=4 11479 B13R0.201 C=CC(=O)CCCOCC[C@@H](C)CC 499298b159a8e64d48ca115c69c60d2a [0,2,0,0,0,0|2,0,0]=4 11480 B13R0.201 CCC(=O)CCCCNCC(=O)NO a178144da04240e6171208c499f3b025 [0,2,0,0,0,0|1,0,1]=4 11481 B13R0.201 CCC(=O)CCCCNCC(=O)OC cdc7efaf2562c4b547047796c923387e [0,2,0,0,0,0|1,0,1]=4 11482 B13R0.201 CCC(=O)CCCCNCC(C)CC 62cf20ec9dabe70f94726123f0b98227 [0,2,0,0,0,0|2,0,0]=4 11483 B13R0.201 CCC(=O)CCCCNCC(O)CC 3db1f259249d572c6eac68fad6cd5451 [0,2,0,0,0,0|2,0,0]=4 11484 B13R0.201 CCC(=O)CCCCNC[C@@H](C)CC 9e531765bc4b02e1f6cab491294f83e2 [0,2,0,0,0,0|2,0,0]=4 11485 B13R0.201 CCC(=O)CCCCNC[C@H](O)CC e7afd982f5c34f1d834891cd3d3693e3 [0,2,0,0,0,0|2,0,0]=4 11486 B13R0.201 CCC(=O)CCCCOCC(=O)OC b1465b903cefe8b6623ee3a143badaf2 [0,2,0,0,0,0|1,0,1]=4 11487 B13R0.201 CCC(=O)CCCCOCC(C)CC b7eb96773441c13e7e8f4c3cca5a364e [0,2,0,0,0,0|2,0,0]=4 11488 B13R0.201 CCC(=O)CCCCOC[C@@H](C)CC 66afd975ba5dcde2aa5641fa73132011 [0,2,0,0,0,0|2,0,0]=4 11489 B13R0.201 CCC(=O)CCCCOC[C@H](C)CC 94d485a7c4e0b645d4c5ee41adeefab4 [0,2,0,0,0,0|2,0,0]=4 11490 B13R0.201 CCC(=O)CNCCCCC(=O)OC eac7e07a454304debcf64f7e21b054d6 [0,2,0,0,0,0|1,0,1]=4 11491 B13R0.201 CCC(=O)COCCCCC(=O)OC b98c483457261591c3adf9591b166d47 [0,2,0,0,0,0|1,0,1]=4 11492 B13R0.201 CCC(=O)COCCCCC(C)CC ec96fb20bd8efc48dd12ce25ccb95a58 [0,2,0,0,0,0|2,0,0]=4 11493 B13R0.201 CCC(=O)COCCCC[C@@H](C)CC e1276d182a71cd293452b560d135657c [0,2,0,0,0,0|2,0,0]=4 11494 B13R0.201 CCC(=O)NCCCCCC(=O)OC 362eb485e3e9d062e03885207086e4a2 [0,2,0,0,0,0|1,0,1]=4 11495 B13R0.201 CCC(C)CCCCOCC(=O)NC 8a6118187aa5f92ba5d16af05a1dfbf4 [0,2,0,0,0,0|2,0,0]=4 11496 B13R0.201 CCC(C)CCCCOCC(=O)OC bca3936823c05c5b78ba2b03b07eed8e [0,2,0,0,0,0|1,0,0]=3 11497 B13R0.201 CCC(C)CCCOCCC(=O)NC 52fc8518a198b70e4cb412197422d310 [0,2,0,0,0,0|2,0,0]=4 11498 B13R0.201 CCC(C)CCCOCCC(=O)OC ce11343cfb925f9ed65cb43393682f4a [0,2,0,0,0,0|1,0,0]=3 11499 B13R0.201 CCC(C)CCCOCOC(=O)OC b578e5f85345284bd14617fbf9568246 [0,2,0,0,0,0|2,0,0]=4 11500 B13R0.201 CCC(C)CCNCCCC(=O)NC af22dc2fc9a08810beb5e254cc5af5e2 [0,2,0,0,0,0|2,0,0]=4 11501 B13R0.201 CCC(C)CCNCCCC(=O)OC 493a5638c72a96f250e24d13de568cb8 [0,2,0,0,0,0|1,0,0]=3 11502 B13R0.201 CCC(C)CCOCCCC(=O)NC 9c98a72c480dc75cc655672daf78f5a1 [0,2,0,0,0,0|2,0,0]=4 11503 B13R0.201 CCC(C)CCOCCCC(=O)OC 0df3ab965814398cad4a2d4b6f62e922 [0,2,0,0,0,0|1,0,0]=3 11504 B13R0.201 CCC(C)CCOCCOC(=O)OC a2c45902f9ef4def3fdee0bd1014f6f6 [0,2,0,0,0,0|2,0,0]=4 11505 B13R0.201 CCC(C)CNCCCCC(=O)OC 8a29f44f5ce4a06f23dc556a5b098478 [0,2,0,0,0,0|1,0,0]=3 11506 B13R0.201 CCC(C)CNCCOCC(=O)OC 54014af58cc37212da2f46d92894f740 [0,2,0,0,0,0|2,0,0]=4 11507 B13R0.201 CCC(C)COCCCCC(=O)OC efa1be9fe557993b33bf85be46528a97 [0,2,0,0,0,0|1,0,0]=3 11508 B13R0.201 CCC(C)COCCOCC(=O)OC 6d645c571c9a798bd49cd2a58a86870a [0,2,0,0,0,0|2,0,0]=4 11509 B13R0.201 CCC(C)NCCCCCC(=O)OC e5955a19dbd5ec3f36f8ef6281ec897a [0,2,0,0,0,0|1,0,0]=3 11510 B13R0.201 CCC(C)NCCCOCC(=O)OC 9e8cefe6678d5cf4ab81a82a04deb456 [0,2,0,0,0,0|2,0,0]=4 11511 B13R0.201 CCC(C)NCCCSCC(=O)OC 5dd8c5360532916127838d52147bf9f6 [0,2,0,0,0,0|2,0,0]=4 11512 B13R0.201 CCC(C)OCCCCCC(=O)OC d9648e988fcda489d3f4fd1c89ed88f5 [0,2,0,0,0,0|1,0,0]=3 11513 B13R0.201 CCC(C)OCCCOCC(=O)OC 3b99ba05adf6e82de3098f63677308b0 [0,2,0,0,0,0|2,0,0]=4 11514 B13R0.201 CCC(C)OCCCSCC(=O)OC 4b827780ddb9ea8ff830588ea608c987 [0,2,0,0,0,0|2,0,0]=4 11515 B13R0.201 CCC(C)OCCOCCC(=O)OC 026ce9c64e67f2b02fd288e2a23057ad [0,2,0,0,0,0|2,0,0]=4 11516 B13R0.201 CCC(O)CNCCCCC(=O)OC c652bcdbc32a5640bbd2d2832cdcd276 [0,2,0,0,0,0|1,0,0]=3 11517 B13R0.201 CCC(O)CNCCOCC(=O)OC 5646ad40c383bfab6540a4044b4bfb37 [0,2,0,0,0,0|2,0,0]=4 11518 B13R0.201 CCC(S)CCOCCCC(=O)NC 58e724126cf947e086f4cf1b18eaf7a0 [0,2,0,0,0,0|2,0,0]=4 11519 B13R0.201 CCC(S)CCOCCCC(=O)OC 8c33e7062d751a78834af76c4f3c6966 [0,2,0,0,0,0|1,0,0]=3 11520 B13R0.201 CCN(C)CCCCCCC(=O)OC 323fb31fd48116edaf46b11482775e1d [0,2,0,0,0,0|1,0,0]=3 11521 B13R0.201 CCN(C)CCCNCCC(=O)OC 070602ba3a65948ac620a6e7c1a77e73 [0,2,0,0,0,0|2,0,0]=4 11522 B13R0.201 CCN(C)CCCOCCC(=O)OC e07b475690c4d2eae60648c531b27325 [0,2,0,0,0,0|2,0,0]=4 11523 B13R0.201 CC[C@@H](C)CNCCCCC(=O)OC de415fd12263b6ba125ae13469b6a8a0 [0,2,0,0,0,0|1,0,0]=3 11524 B13R0.201 CC[C@@H](C)COCCCCC(=O)OC 22363e4b277e0dd85027f62f2142fdc7 [0,2,0,0,0,0|1,0,0]=3 11525 B13R0.201 CC[C@@H](C)COCCOCC(=O)OC 0b2f697a382d22bf45de761d4325812f [0,2,0,0,0,0|2,0,0]=4 11526 B13R0.201 CC[C@@H](C)NCCCCCC(=O)OC af905aea145dd79b1edd9521327837eb [0,2,0,0,0,0|1,0,0]=3 11527 B13R0.201 CC[C@@H](C)NCCCOCC(=O)OC 0309c6000dcbf2d8841d545aa30ce5a1 [0,2,0,0,0,0|2,0,0]=4 11528 B13R0.201 CC[C@@H](C)NCCCSCC(=O)OC f36f85f15fefda41fdeb42a4381ad534 [0,2,0,0,0,0|2,0,0]=4 11529 B13R0.201 CC[C@@H](C)OCCCCCC(=O)OC 7f82b5ad5d8b75148f56f9afd6a0af9a [0,2,0,0,0,0|1,0,0]=3 11530 B13R0.201 CC[C@@H](C)OCCCOCC(=O)OC 920260f259b5238545971786a1b7fbea [0,2,0,0,0,0|2,0,0]=4 11531 B13R0.201 CC[C@@H](C)OCCCSCC(=O)OC 8c6ee1f136fe3210f604066419b84da8 [0,2,0,0,0,0|2,0,0]=4 11532 B13R0.201 CC[C@@H](O)CNCCCCC(=O)OC e8c09b8044de67a0e7ba7a0abd1c64b5 [0,2,0,0,0,0|1,0,0]=3 11533 B13R0.201 CC[C@@H](O)CNCCOCC(=O)OC 15356453407bb6070a716bf16eef49f0 [0,2,0,0,0,0|2,0,0]=4 11534 B13R0.201 CC[C@H](C)CCCCOCC(=O)NC e9903d8b5c49e1859f73b3b9beb100f7 [0,2,0,0,0,0|2,0,0]=4 11535 B13R0.201 CC[C@H](C)CCCCOCC(=O)OC 4ec1fca1bfce83266af7a8b752578806 [0,2,0,0,0,0|1,0,0]=3 11536 B13R0.201 CC[C@H](C)CCCOCCC(=O)NC a39dd4e0ff2970d80c1f3f14d34c35a5 [0,2,0,0,0,0|2,0,0]=4 11537 B13R0.201 CC[C@H](C)CCCOCCC(=O)OC 1ccbc044459c93db2a6730a226fc0862 [0,2,0,0,0,0|1,0,0]=3 11538 B13R0.201 CC[C@H](C)CCCOCOC(=O)OC 11cb67ce46425a59e4db1c9f6a0718e8 [0,2,0,0,0,0|2,0,0]=4 11539 B13R0.201 CC[C@H](C)CCOCCCC(=O)NC c9ecd8920838d8642df18ffa8035d3f5 [0,2,0,0,0,0|2,0,0]=4 11540 B13R0.201 CC[C@H](C)CCOCCCC(=O)OC 7625f68d562b9908d7862b647db5ef0a [0,2,0,0,0,0|1,0,0]=3 11541 B13R0.201 CC[C@H](C)CNCCCCC(=O)OC 755ed67394278788a30a2c2934e53013 [0,2,0,0,0,0|1,0,0]=3 11542 B13R0.201 CC[C@H](C)CNCCOCC(=O)OC de400c3fe760f3fb25ca81c92a6e7895 [0,2,0,0,0,0|2,0,0]=4 11543 B13R0.201 CC[C@H](C)COCCCCC(=O)OC cca1155d8410e74fe7b26ce7919002ce [0,2,0,0,0,0|1,0,0]=3 11544 B13R0.201 CC[C@H](C)COCCOCC(=O)OC c67e00bdd45275d47f6487b05fb38e5b [0,2,0,0,0,0|2,0,0]=4 11545 B13R0.201 CC[C@H](C)NCCCCCC(=O)OC 5d6e7590b8af6ae8839f6fba19fc53e7 [0,2,0,0,0,0|1,0,0]=3 11546 B13R0.201 CC[C@H](C)NCCCOCC(=O)OC cf3780139630b1bf515337363f9ddad5 [0,2,0,0,0,0|2,0,0]=4 11547 B13R0.201 CC[C@H](C)NCCCSCC(=O)OC 7f4b2a44c400fb149d9dedb43c9bd07c [0,2,0,0,0,0|2,0,0]=4 11548 B13R0.201 CC[C@H](C)OCCCCCC(=O)OC 6c043af9e836750bfb4a85355a9f850a [0,2,0,0,0,0|1,0,0]=3 11549 B13R0.201 CC[C@H](C)OCCCOCC(=O)OC 7bc9dcf5061b22b1b1a5e2c416928d47 [0,2,0,0,0,0|2,0,0]=4 11550 B13R0.201 CC[C@H](C)OCCCSCC(=O)OC 4a50fbe0866a63fd6edf6c0bf9b86a7a [0,2,0,0,0,0|2,0,0]=4 11551 B13R0.201 COC(=O)CCCCCNC(C)CO c9b7de847c5cf9577f246fe38222ddc1 [0,2,0,0,0,0|2,0,0]=4 11552 B13R0.201 COC(=O)CCCCCN[C@@H](C)CO 89fee276fa16b341157ec50e5e7b3366 [0,2,0,0,0,0|2,0,0]=4 11553 B13R0.201 COC(=O)CCCCCN[C@H](C)CO 91a86b4d645ab6445589da8dce98fb03 [0,2,0,0,0,0|2,0,0]=4 11554 B13R0.201 COC(=O)CCCCCOC(C)CF 7e685fbb9ad4586c7396bd0f93f6fd70 [0,2,0,0,0,0|2,0,0]=4 11555 B13R0.201 COC(=O)CCCCCOC(C)CS 2d8cdc17d22fdb050792c71e4027a4be [0,2,0,0,0,0|2,0,0]=4 11556 B13R0.201 COC(=O)CCCCCO[C@H](C)CS bf7ff52c774c651ea5ed75ba176af884 [0,2,0,0,0,0|2,0,0]=4 11557 B13R0.201 COC(=O)CCCCNCC(Br)CBr 5fe080c4288f45aad96335f3d81f9207 [0,2,0,0,0,0|2,0,0]=4 11558 B13R0.201 COC(=O)CCCCNCC(C)CO a704d31442b5260bba2a2668661beead [0,2,0,0,0,0|2,0,0]=4 11559 B13R0.201 COC(=O)CCCCNCC(C)OC d83162fd5020bea4631237234adf781f [0,2,0,0,0,0|2,0,0]=4 11560 B13R0.201 COC(=O)CCCCNCC(F)CO 6ac5cc57b3ac7b0b0252f970df2eca4b [0,2,0,0,0,0|2,0,0]=4 11561 B13R0.201 COC(=O)CCCCNCC(O)CF 2e4c24c8124643402e7a45a48bf562bb [0,2,0,0,0,0|2,0,0]=4 11562 B13R0.201 COC(=O)CCCCNCC(O)CO d247045e14fef4d0f36997db9cd0f0da [0,2,0,0,0,0|2,0,0]=4 11563 B13R0.201 COC(=O)CCCCNC[C@@H](C)CO 45c71e8f4caba75131fbb2efde0fcea9 [0,2,0,0,0,0|2,0,0]=4 11564 B13R0.201 COC(=O)CCCCNC[C@@H](C)OC 4245c81dd026c221f76a26f215b90227 [0,2,0,0,0,0|2,0,0]=4 11565 B13R0.201 COC(=O)CCCCNC[C@@H](F)CO e48cdb25d0ebe4bb420a158ccf5305d6 [0,2,0,0,0,0|2,0,0]=4 11566 B13R0.201 COC(=O)CCCCNC[C@@H](O)CO afee109ad2dc587370db29fd093e82f0 [0,2,0,0,0,0|2,0,0]=4 11567 B13R0.201 COC(=O)CCCCNC[C@H](C)CO e9472ee2d1fa4a58a5b9aabe9da82a7e [0,2,0,0,0,0|2,0,0]=4 11568 B13R0.201 COC(=O)CCCCNC[C@H](C)OC 73de133d5defdf7bcf813164fc295992 [0,2,0,0,0,0|2,0,0]=4 11569 B13R0.201 COC(=O)CCCCNC[C@H](F)CO 1cbf2cf1d98247adcea6cf879828f9f7 [0,2,0,0,0,0|2,0,0]=4 11570 B13R0.201 COC(=O)CCCCNC[C@H](O)CO 3cffa57ba07799d8be07406e545c3598 [0,2,0,0,0,0|2,0,0]=4 11571 B13R0.201 COC(=O)CCCCOCC(Br)CBr dbe28e2782b61f4968cab857f3a9f331 [0,2,0,0,0,0|2,0,0]=4 11572 B13R0.201 COC(=O)CCCCOCC(C)OC e60be377186899769d700023844b2ec2 [0,2,0,0,0,0|2,0,0]=4 11573 B13R0.201 COC(=O)CCCCOCC(Cl)CCl b6c6f61e5908afcc7b9a53b9f49cf648 [0,2,0,0,0,0|2,0,0]=4 11574 B13R0.201 COC(=O)CCCCOCC(O)CO 3ce1fb791b4263d2e9b63b3537350b06 [0,2,0,0,0,0|2,0,0]=4 11575 B13R0.201 COC(=O)CCCCOCC(S)CS 786dca4fd5e350668ab69d59969ee963 [0,2,0,0,0,0|2,0,0]=4 11576 B13R0.201 COC(=O)CCCCOC[C@@H](C)OC fa621e2ad6755799620fb74ba37d59c7 [0,2,0,0,0,0|2,0,0]=4 11577 B13R0.201 COC(=O)CCCCOC[C@@H](O)CO 30105489ddd223dafac6e9dbf006c0e4 [0,2,0,0,0,0|2,0,0]=4 11578 B13R0.201 COC(=O)CCCCOC[C@H](C)OC 8992ece54124bebe9506d1aa9a8d5cf9 [0,2,0,0,0,0|2,0,0]=4 11579 B13R0.201 COC(=O)CCCCOC[C@H](O)CO a653704b8f21fb002a1bef5db40d67fd [0,2,0,0,0,0|2,0,0]=4 11580 B13R0.201 COC(=O)CCCNCCC(C)CO b846a60acf83c46a2fdc716c8e319f33 [0,2,0,0,0,0|2,0,0]=4 11581 B13R0.201 COC(=O)CCCNCCC(O)CO cdee4cf6f3c6bbcf02458321e772687e [0,2,0,0,0,0|2,0,0]=4 11582 B13R0.201 COC(=O)CCCNCC[C@@H](C)CO acd1ced6ec1f137d5a2e47fe276a1b3c [0,2,0,0,0,0|2,0,0]=4 11583 B13R0.201 COC(=O)CCCOCCC(C)OC ac24cda4d3d8a2c5c42cb751b63076d4 [0,2,0,0,0,0|2,0,0]=4 11584 B13R0.201 COC(=O)CCNCCCC(C)CO 99acd4071ef159f0e485ea7b32813371 [0,2,0,0,0,0|2,0,0]=4 11585 B13R0.204 C=C(COCCCC(C)CC)C(=O)O acdb8b27331d035a67c9f584c3585b27 [0,2,0,0,0,0|1,0,1]=4 11586 B13R0.204 C=C(COCCC[C@@H](C)CC)C(=O)O 4a67b3f929e062fffff253ffd5f34c8f [0,2,0,0,0,0|1,0,1]=4 11587 B13R0.204 CC(CCCNCC(Br)CBr)C(=O)O a4d96b64c032c9403d40bfdbe53d4d76 [0,2,0,0,0,0|2,0,0]=4 11588 B13R0.204 CC(CCCNCC(F)CO)C(=O)O 6e4bc83691623f1184d1ced236d8b069 [0,2,0,0,0,0|2,0,0]=4 11589 B13R0.204 CC(CCCNCC(O)CO)C(=O)O e7a008a92f1d451c660f6378467e7aa9 [0,2,0,0,0,0|2,0,0]=4 11590 B13R0.204 CC(CCCNC[C@@H](F)CO)C(=O)O a3f0fe9e907eadb4c87a73d7dba2294d [0,2,0,0,0,0|2,0,0]=4 11591 B13R0.204 CC(CCCNC[C@@H](O)CO)C(=O)O da8cdc1f85fb199bec9894b38c85442a [0,2,0,0,0,0|2,0,0]=4 11592 B13R0.204 CC(CCCNC[C@H](C)CO)C(=O)O 3fd5ee9ab5e5befcc336c6d9f4b2ac8f [0,2,0,0,0,0|2,0,0]=4 11593 B13R0.204 CC(CCCNC[C@H](F)CO)C(=O)O 05c9233d005b828701cfae14e67acbba [0,2,0,0,0,0|2,0,0]=4 11594 B13R0.204 CC(CCCNC[C@H](O)CO)C(=O)O 6ce2c3d9371fb0f61488ad87a78d1de9 [0,2,0,0,0,0|2,0,0]=4 11595 B13R0.204 CC(CCCOCC(Br)CBr)C(=O)O 44008468e67091993062b9278dc99447 [0,2,0,0,0,0|2,0,0]=4 11596 B13R0.204 CC(CCCOCC(Cl)CCl)C(=O)O cb912e9a0c76188de57bc5db21cd2975 [0,2,0,0,0,0|2,0,0]=4 11597 B13R0.204 CC(CCCOCC(S)CS)C(=O)O 18492b9e0eba7b798e5b9e0f7c5429a0 [0,2,0,0,0,0|2,0,0]=4 11598 B13R0.204 CC(CO)CCCNCC(C)C(=O)O 863ec8bc5e0b11e2ae0ced6a1c79af39 [0,2,0,0,0,0|2,0,0]=4 11599 B13R0.204 CC(CO)CCCNCC(O)C(=O)O c98dd0ac6d0f9f266be2792b513d6145 [0,2,0,0,0,0|2,0,0]=4 11600 B13R0.204 CC(CO)CCCNC[C@H](O)C(=O)O 854ce476a6acaa675f93fdbb1db11c72 [0,2,0,0,0,0|2,0,0]=4 11601 B13R0.204 CC(CO)CCNCCC(F)C(=O)O 5107c17b9d4db5f3f06dcdba55ef9dfb [0,2,0,0,0,0|2,0,0]=4 11602 B13R0.204 CC(CO)CCNCCC(O)C(=O)O d2d74f7095806a4d88afc00470687e81 [0,2,0,0,0,0|2,0,0]=4 11603 B13R0.204 CC(CO)CCNCC[C@H](O)C(=O)O c09c8d2766ca6f489af91d0eab730b88 [0,2,0,0,0,0|2,0,0]=4 11604 B13R0.204 CC(CO)CNCCCC(C)C(=O)O 6f7d14d9abf47ae78b983685b911e07e [0,2,0,0,0,0|2,0,0]=4 11605 B13R0.204 CCC(=O)CCCCNC(C)C(=O)O 22cfa7885e5bedea700f472d2d49d762 [0,2,0,0,0,0|1,0,1]=4 11606 B13R0.204 CCC(=O)CCCCNC(O)C(=O)O 94f24f2ae2afcd3b0320f9918f40daaa [0,2,0,0,0,0|1,0,1]=4 11607 B13R0.204 CCC(=O)CCCCN[C@@H](C)C(=O)O fc992677c5c6fdd3a2a32775665e22f2 [0,2,0,0,0,0|1,0,1]=4 11608 B13R0.204 CCC(=O)CCCCN[C@H](C)C(=O)O c6f93a2b2198deb7bb77342600aa9078 [0,2,0,0,0,0|1,0,1]=4 11609 B13R0.204 CCC(=O)COCCCC(C)C(=O)O b649aa7076ea78ef24c70f97507940dc [0,2,0,0,0,0|1,0,1]=4 11610 B13R0.204 CCC(C)CCCCOC(C)C(=O)C b1b7f1ab88833336a902e12690087e73 [0,2,0,0,0,0|2,0,0]=4 11611 B13R0.204 CCC(C)CCCCOC(C)C(=O)N 0b0ba751b899ebb804dc8780270cd12a [0,2,0,0,0,0|2,0,0]=4 11612 B13R0.204 CCC(C)CCCCOC(F)C(=O)N 2fca24532e3bdb16880f8535853f2864 [0,2,0,0,0,0|2,0,0]=4 11613 B13R0.204 CCC(C)CCCCO[C@@H](C)C(=O)N 7226414dedcc4afa93006a7e16d88090 [0,2,0,0,0,0|2,0,0]=4 11614 B13R0.204 CCC(C)CCCCO[C@H](C)C(=O)N b08c7bc812629dc66565f29a370f0a5f [0,2,0,0,0,0|2,0,0]=4 11615 B13R0.204 CCC(C)CCCOCC(=O)C(=O)O a5f884ec33e456c18fc2ea7a70304549 [0,2,0,0,0,0|1,0,1]=4 11616 B13R0.204 CCC(C)CCCOCC(C)C(=O)O 5d32647e313d423d36a81062684d5dc0 [0,2,0,0,0,0|1,0,0]=3 11617 B13R0.204 CCC(C)CCNCCC(F)C(=O)O aa6b3144fed70d8aa16469306f57c3f3 [0,2,0,0,0,0|1,0,0]=3 11618 B13R0.204 CCC(C)CCNCCC(O)C(=O)O 56f252e1c99f994e23839e1f6746b345 [0,2,0,0,0,0|1,0,0]=3 11619 B13R0.204 CCC(C)CCNCC[C@H](O)C(=O)O c425f8bbd71170ce9bc846e53e8ec33d [0,2,0,0,0,0|1,0,0]=3 11620 B13R0.204 CCC(C)CNCCCC(C)C(=O)O 1aea3ad9d15bc656fced00bca4109f3b [0,2,0,0,0,0|1,0,0]=3 11621 B13R0.204 CCC(C)COCCCC(C)C(=O)O 8e9a611d3d3d715884ba9cc1fc62c999 [0,2,0,0,0,0|1,0,0]=3 11622 B13R0.204 CCC(C)NCCSCC(C)C(=O)O 394662075e797c77623f45f532594e46 [0,2,0,0,0,0|2,0,0]=4 11623 B13R0.204 CCC(O)CNCCCC(C)C(=O)O a238af63906d196ff07f82f74e292fcf [0,2,0,0,0,0|1,0,0]=3 11624 B13R0.204 CCN(C)CCCNCC(C)C(=O)O e366ec9fda53e2b0859b57ca8039c205 [0,2,0,0,0,0|2,0,0]=4 11625 B13R0.204 CCN(C)CCCNCC(O)C(=O)O e73390be8141f04c55d416011306fb85 [0,2,0,0,0,0|2,0,0]=4 11626 B13R0.204 CCN(C)CCCNC[C@H](O)C(=O)O 5634cc5119868e8a3b73b9d7548a1721 [0,2,0,0,0,0|2,0,0]=4 11627 B13R0.204 CCN(C)CCCOCC(C)C(=O)O ff0a742c0e0aad15e1be89725e8b5c2c [0,2,0,0,0,0|2,0,0]=4 11628 B13R0.204 CCS(=O)CCNCCC(F)C(=O)O 7b6c0666bc577abe0f9afb9b959967e6 [0,2,0,0,0,0|2,0,0]=4 11629 B13R0.204 CC[C@@H](C)COCCCC(C)C(=O)O de15d1a3359e8674271489808b90c22c [0,2,0,0,0,0|1,0,0]=3 11630 B13R0.204 CC[C@@H](O)CNCCCC(C)C(=O)O 65e0ad0547748645cc12b9a324329d34 [0,2,0,0,0,0|1,0,0]=3 11631 B13R0.204 CC[C@H](C)CCCCOC(C)C(=O)C f3abb3be7024d4e2bd1d01600e736318 [0,2,0,0,0,0|2,0,0]=4 11632 B13R0.204 CC[C@H](C)CCCCOC(C)C(=O)N 771a0039bb12eb2149fbf73d31ab4c47 [0,2,0,0,0,0|2,0,0]=4 11633 B13R0.204 CC[C@H](C)CCCCOC(F)C(=O)N 58f428eed5120a7d6b25c7135b7ea8ae [0,2,0,0,0,0|2,0,0]=4 11634 B13R0.204 CC[C@H](C)CCCCO[C@@H](C)C(=O)N 87b439a99706b5300efcb46eba7c1ac4 [0,2,0,0,0,0|2,0,0]=4 11635 B13R0.204 CC[C@H](C)CCCCO[C@H](C)C(=O)N 836589a1e608d01fab59961beb419bdf [0,2,0,0,0,0|2,0,0]=4 11636 B13R0.204 CC[C@H](C)CCCOCC(=O)C(=O)O dfce221c1d811e0adc00b3cdd2ae328f [0,2,0,0,0,0|1,0,1]=4 11637 B13R0.204 CC[C@H](C)CCCOCC(C)C(=O)O 0850cc93707ccd9fc856531479cffc9b [0,2,0,0,0,0|1,0,0]=3 11638 B13R0.204 CC[C@H](C)CNCCCC(C)C(=O)O 53f3f85af5c7bdb5262c44e70abf0ad5 [0,2,0,0,0,0|1,0,0]=3 11639 B13R0.204 CC[C@H](C)COCCCC(C)C(=O)O eac751e96317abb088d3155283ff544b [0,2,0,0,0,0|1,0,0]=3 11640 B13R0.204 COC(C)COCCCC(C)C(=O)O 290345ddbb4288793555dae24a59005e [0,2,0,0,0,0|2,0,0]=4 11641 B13R0.204 CO[C@@H](C)CNCCCC(C)C(=O)O e7ea46573ec971ad443d1939362e9969 [0,2,0,0,0,0|2,0,0]=4 11642 B13R0.204 CO[C@@H](C)COCCCC(C)C(=O)O 59b73f74046d85752ae8c3750519f0a4 [0,2,0,0,0,0|2,0,0]=4 11643 B13R0.204 CO[C@H](C)CNCCCC(C)C(=O)O 349e0874b8e0bb5f7cff84e7b990240c [0,2,0,0,0,0|2,0,0]=4 11644 B13R0.204 CO[C@H](C)COCCCC(C)C(=O)O cda3099a55277a987457d63971db89ae [0,2,0,0,0,0|2,0,0]=4 11645 B13R0.208 CC(CCC(=O)O)NCCC(O)CO be66dd36a24ee9d05324353a2570929d [0,2,0,0,0,0|2,0,0]=4 11646 B13R0.208 CC(CCC(=O)O)NCC[C@@H](C)CO a683ce518d49a00dbfaad10abcff78f8 [0,2,0,0,0,0|2,0,0]=4 11647 B13R0.208 CC(CO)CCNC(C)CCC(=O)O 1f28d739db77d47009e8141e96378987 [0,2,0,0,0,0|2,0,0]=4 11648 B13R0.208 CC(CO)CCN[C@@H](C)CCC(=O)O 6ca82e5c4bb71f84b322eb936b86fe0b [0,2,0,0,0,0|2,0,0]=4 11649 B13R0.208 CCC(C)CCNC(C)CCC(=O)O 424e49ef6d2b5350848fff89626e3762 [0,2,0,0,0,0|1,0,0]=3 11650 B13R0.208 CCC(C)CCN[C@@H](C)CCC(=O)O e1c5d50edbaf92f80abbcfd45549c34b [0,2,0,0,0,0|1,0,0]=3 11651 B13R0.208 CCC(C)CCOC(C)CCC(=O)O 28b252472f2ab4faf2a4f93b74afaa0d [0,2,0,0,0,0|1,0,0]=3 11652 B13R0.208 CCC(C)CNCC(=O)CCC(=O)O a5292215918d41d6acd8bbabcd96a880 [0,2,0,0,0,0|1,0,1]=4 11653 B13R0.208 CCC(C)COCC(=O)CCC(=O)O 1296438d426f0c0ee63b0208c27fba39 [0,2,0,0,0,0|1,0,1]=4 11654 B13R0.208 CCC(C)NCCN(C)CCC(=O)O 6565ea5afeb1b9eb056fbbd08f1d0b0f [0,2,0,0,0,0|2,0,0]=4 11655 B13R0.208 CCC(C)OCCN(C)CCC(=O)O 393bd226e1e9391a4303a704f5950a02 [0,2,0,0,0,0|2,0,0]=4 11656 B13R0.208 CCC(O)CNCC(=O)CCC(=O)O f48bef49c0f91087332a4f5ec6faed28 [0,2,0,0,0,0|1,0,1]=4 11657 B13R0.208 CCC(S)CCOC(C)CCC(=O)O ee2b28e81e5f40711440cc928e551062 [0,2,0,0,0,0|1,0,0]=3 11658 B13R0.208 CCS(=O)CCOC(C)CCC(=O)O 9aa99d65fe4e84291eb866f347b7ba2e [0,2,0,0,0,0|2,0,0]=4 11659 B13R0.208 CC[C@@H](C)CNCC(=O)CCC(=O)O daf2e15afb0a169aa1efbb1fb03db4df [0,2,0,0,0,0|1,0,1]=4 11660 B13R0.208 CC[C@@H](C)COCC(=O)CCC(=O)O bed20a620b6e640d56b77c1045914d55 [0,2,0,0,0,0|1,0,1]=4 11661 B13R0.208 CC[C@@H](O)CNCC(=O)CCC(=O)O a974bafc2fd6ce856432c302da616a05 [0,2,0,0,0,0|1,0,1]=4 11662 B13R0.208 CC[C@H](C)CCOC(C)CCC(=O)O 41ef6d27b8c6a4292a1300150d8f2f62 [0,2,0,0,0,0|1,0,0]=3 11663 B13R0.208 CC[C@H](C)CNCC(=O)CCC(=O)O fd50570a0727a19fd518ad39375d56ee [0,2,0,0,0,0|1,0,1]=4 11664 B13R0.208 CC[C@H](C)COCC(=O)CCC(=O)O 61dc872f7cedbd79d0a9278dcfbf2878 [0,2,0,0,0,0|1,0,1]=4 11665 B13R0.208 COC(C)CCOC(C)CCC(=O)O 817c56f763299ec5a0cc2661d26cccc3 [0,2,0,0,0,0|2,0,0]=4 11666 B13R0.291 CC(C)(CF)CNCCCCC(=O)O 9a784624d58c1d593fb509e9c47b73a1 [0,2,0,0,0,0|2,0,0]=4 11667 B13R0.291 CC(C)(CF)COCCCCC(=O)O ef3d9598b8f75a9c9e802ad186666728 [0,2,0,0,0,0|2,0,0]=4 11668 B13R0.291 CC(C)(CO)CCCNCCC(=O)O c1590e55f9ba0a39351419e30d3a521e [0,2,0,0,0,0|2,0,0]=4 11669 B13R0.291 CC(C)(CO)CNCCCCC(=O)O d2d80bf1b0da035ac11930b64831703b [0,2,0,0,0,0|2,0,0]=4 11670 B13R0.291 CC(C)(CO)NCCCCCC(=O)O 1e5f6a8d818f5c8b7a0d41ffbcd9c9f4 [0,2,0,0,0,0|2,0,0]=4 11671 B13R0.291 CCC(C)(C)CCNCCCC(=O)N b4e32c4457dccef697a1fd8a4bc34deb [0,2,0,0,0,0|2,0,0]=4 11672 B13R0.291 CCC(C)(C)CCNCCCC(=O)O e7f7db1f1f0a8330aa11e408d34892bc [0,2,0,0,0,0|1,0,0]=3 11673 B13R0.291 CCC(C)(C)CCOCCCC(=O)C ae5ce78ae21cafeb2a16452bfde05cee [0,2,0,0,0,0|2,0,0]=4 11674 B13R0.291 CCC(C)(C)CCOCCCC(=O)N 6f5dcb6cc67ee8d4f86389330f13be36 [0,2,0,0,0,0|2,0,0]=4 11675 B13R0.291 CCC(C)(C)CNCCCCC(=O)C 2b250162e0a5d89e49e426fdaf19a0a1 [0,2,0,0,0,0|2,0,0]=4 11676 B13R0.291 CCC(C)(C)CNCCCCC(=O)N 892dec579cf3b9f5f1f806634c782f20 [0,2,0,0,0,0|2,0,0]=4 11677 B13R0.291 CCC(C)(C)CNCCCCC(=O)O f9d3567c1b91c993314cd4a681872eb0 [0,2,0,0,0,0|1,0,0]=3 11678 B13R0.291 CCC(C)(C)CNCCOCC(=O)O 874b9d5abe0308449045a4f405c0651e [0,2,0,0,0,0|2,0,0]=4 11679 B13R0.291 CCC(C)(C)NCCCCCC(=O)C be6ece371f7de98231b3ef2ce7fec573 [0,2,0,0,0,0|2,0,0]=4 11680 B13R0.291 CCC(C)(C)NCCCCCC(=O)N 46e36416678dbaef1f02e74d9fd7359f [0,2,0,0,0,0|2,0,0]=4 11681 B13R0.291 CCC(C)(O)CNCCCCC(=O)C 2ca5cec859b779fae9d7b35c1e98397e [0,2,0,0,0,0|2,0,0]=4 11682 B13R0.291 CCC(C)(O)CNCCCCC(=O)N 1437b2f544da220bf816552ebb2987b7 [0,2,0,0,0,0|2,0,0]=4 11683 B13R0.291 CCC(C)(O)CNCCOCC(=O)O 3f7f1be62eecc21961486ee445e3423f [0,2,0,0,0,0|2,0,0]=4 11684 B13R0.291 CCC(F)(F)COCCCCC(=O)C 70a1a6730cf074477b9e1568e47a80b2 [0,2,0,0,0,0|2,0,0]=4 11685 B13R0.291 CCC(F)(F)COCCCCC(=O)N 5b7391d6cc406d6a8c8e4648f642a2ed [0,2,0,0,0,0|2,0,0]=4 11686 B13R0.291 CCC(F)(F)COCCOCC(=O)O 3e17480b159c49fc2df3abc12114e384 [0,2,0,0,0,0|2,0,0]=4 11687 B13R0.291 CCS(=O)(=O)CCCCNCC(=O)O 62d18ae844c3b6fe8f53f84dcb01d9e4 [0,2,0,0,0,0|2,0,0]=4 11688 B13R0.291 CCS(=O)(=O)CCCOCCC(=O)O ae28f3f2a31e129b6a9c4f42d2d5b9c7 [0,2,0,0,0,0|2,0,0]=4 11689 B13R0.291 COC(C)(C)CCNCCCC(=O)O 0486b949e914517fadfdbd84c60e3c11 [0,2,0,0,0,0|2,0,0]=4 11690 B13R0.291 COC(C)(C)CCOCCCC(=O)O 5fdc6ffef175e407c1dfe6df946f07a6 [0,2,0,0,0,0|2,0,0]=4 11691 B13R0.291 COC(C)(C)CNCCCCC(=O)O cce1684e6fde574e33739224bacf2464 [0,2,0,0,0,0|2,0,0]=4 11692 B13R0.291 COC(C)(C)COCCCCC(=O)O e464c20d96e43e1e09a3d18e30d2a4c1 [0,2,0,0,0,0|2,0,0]=4 11693 B13R0.493 CC(CO)CCN(C)CCCC(=O)O bf60af40bb1d6aebd97a394a1330277f [0,2,0,0,0,0|2,0,0]=4 11694 B13R0.493 CCC(C)CCC(C)COCC(=O)N 304c6d4c36920b2e91c7eebdbf7705ab [0,2,0,0,0,0|2,0,0]=4 11695 B13R0.493 CCC(C)CCC(C)COCC(=O)O 53a9db89a09c1ce52f85a57fdd539ad8 [0,2,0,0,0,0|1,0,0]=3 11696 B13R0.493 CCC(C)CCC(C)OCCC(=O)C 7713987ea35f6c9e34fa915ca6c5fe76 [0,2,0,0,0,0|2,0,0]=4 11697 B13R0.493 CCC(C)CCC(C)OCCC(=O)N 4901d08417d43e3cbee4bac6d5a410d1 [0,2,0,0,0,0|2,0,0]=4 11698 B13R0.493 CCC(C)CCC(C)OCCC(=O)O 8af1875f4f9d03467a8e5a587b993f9f [0,2,0,0,0,0|1,0,0]=3 11699 B13R0.493 CCC(C)CCN(C)CCCC(=O)N 35a5d2b9f71be7975622c9c0bb9e20c7 [0,2,0,0,0,0|2,0,0]=4 11700 B13R0.493 CCC(C)CCN(C)CCCC(=O)O abac5df1a8274ffac44f93bd6402cc2a [0,2,0,0,0,0|1,0,0]=3 11701 B13R0.493 CCN(C)CCN(C)CCCC(=O)O 4994119e3d6764cf00aa9d4d3bdf00eb [0,2,0,0,0,0|2,0,0]=4 11702 B13R0.493 CCS(=O)CCN(C)CCCC(=O)O abecf4dc0726ea70900990384f3b15a2 [0,2,0,0,0,0|2,0,0]=4 11703 B13R0.1120 C#CC(CC)OCCCCCC(=O)C 819f0a6123e1ec33c4dbcc204e830970 [0,2,0,0,0,0|2,0,0]=4 11704 B13R0.1120 C#CC(CC)OCCCCCC(=O)N 00a167bdccbcd241d2e2130423520625 [0,2,0,0,0,0|2,0,0]=4 11705 B13R0.1120 C#CC(CC)OCCCOCC(=O)O d99374e3a453e071566dd53043715873 [0,2,0,0,0,0|2,0,0]=4 11706 B13R0.1120 C#CC(CC)OCCOCCC(=O)O 8e40955abc8932da7a04e386b970bbc3 [0,2,0,0,0,0|2,0,0]=4 11707 B13R0.1120 C=CC(CC)OCCCCCC(=O)C 1e0868454726d56e23e7261eb874d8c7 [0,2,0,0,0,0|2,0,0]=4 11708 B13R0.1120 C=CC(CC)OCCCCCC(=O)N 995be23072c40bbb136015ecb3a15354 [0,2,0,0,0,0|2,0,0]=4 11709 B13R0.1120 C=CC(CC)OCCCCCC(=O)O 22e13ec60f451d89167295e04769225e [0,2,0,0,0,0|1,0,0]=3 11710 B13R0.1120 C=CC(CC)OCCCOCC(=O)O 4c46a7ea15613d50808fc1a47a806056 [0,2,0,0,0,0|2,0,0]=4 11711 B13R0.1120 C=CC(CC)OCCOCCC(=O)O 7ef48717a4b6fca1775a20c57201316a [0,2,0,0,0,0|2,0,0]=4 11712 B13R0.1120 C=C[C@@H](CO)NCCCCCC(=O)O be20f4533e23224851a37a3f2c1f3931 [0,2,0,0,0,0|2,0,0]=4 11713 B13R0.1120 CCC(C#N)OCCCCCC(=O)C 74b51bd660c7d4f0417d29098ccf593b [0,2,0,0,0,0|2,0,0]=4 11714 B13R0.1120 CCC(C#N)OCCCCCC(=O)N 08dcc1f117570eaa76653800a1b2721c [0,2,0,0,0,0|2,0,0]=4 11715 B13R0.1120 CCC(C#N)OCCCOCC(=O)O 80c84bdc43d83360a1e277167b31d876 [0,2,0,0,0,0|2,0,0]=4 11716 B13R0.1120 CCC(C#N)OCCOCCC(=O)O dba516c0c5cc0d8481a99ab0a758a08f [0,2,0,0,0,0|2,0,0]=4 11717 B13R0.1120 CCC(C=O)NCCCCCC(=O)N cd95882a81c083d05ccffd5d9fb344ad [0,2,0,0,0,0|2,0,0]=4 11718 B13R0.1120 CCC(C=O)NCCCCCC(=O)O e22c00d6627112de24bb901d17dfa06f [0,2,0,0,0,0|1,0,0]=3 11719 B13R0.1120 CCC(C=O)NCCOCCC(=O)O b4f24ce65f7689dffd1ed87f778fc67d [0,2,0,0,0,0|2,0,0]=4 11720 B13R0.1120 CCC(C=O)OCCCCCC(=O)N 259987b38e89988e2cad23414ca0b94a [0,2,0,0,0,0|2,0,0]=4 11721 B13R0.1120 CCC(C=O)OCCCCCC(=O)O 6a688111a77916ce3dce2a6e2922a6d0 [0,2,0,0,0,0|1,0,0]=3 11722 B13R0.1120 CCC(C=O)OCCOCCC(=O)O b83c196068ae5d6b9aa3a36f7420a015 [0,2,0,0,0,0|2,0,0]=4 11723 B13R0.1120 CCC(CC)CCNCCCC(=O)C 38d390f4d09cb2b5bfc5c1d95cf8f995 [0,2,0,0,0,0|2,0,0]=4 11724 B13R0.1120 CCC(CC)CCNCCCC(=O)N 6df5757205ee258a92444f34ef882f51 [0,2,0,0,0,0|2,0,0]=4 11725 B13R0.1120 CCC(CC)CNCCCCC(=O)C 2d90fb8fa2620633b320f70b8460abd4 [0,2,0,0,0,0|2,0,0]=4 11726 B13R0.1120 CCC(CC)CNCCCCC(=O)N 07016f91acfac4c6bead885aa6714099 [0,2,0,0,0,0|2,0,0]=4 11727 B13R0.1120 CCC(CC)CNCCCCC(=O)O 4512edefbf2078c4dae0c0dcdbf963e4 [0,2,0,0,0,0|1,0,0]=3 11728 B13R0.1120 CCC(CC)CNCCOCC(=O)O e1341b02c1cc17dd15e82861eb094fd1 [0,2,0,0,0,0|2,0,0]=4 11729 B13R0.1120 CCC(CC)CNCCSCC(=O)O 3de3e4879eba07b58a49cb49510bfd91 [0,2,0,0,0,0|2,0,0]=4 11730 B13R0.1120 CCC(CC)COCCCCC(=O)C 76017c7068f59e134b7113bf583fa30f [0,2,0,0,0,0|2,0,0]=4 11731 B13R0.1120 CCC(CC)COCCCCC(=O)N 3b572b06b6a96dd4afad345c559ca5f5 [0,2,0,0,0,0|2,0,0]=4 11732 B13R0.1120 CCC(CC)COCCCCC(=O)O 614d41f40586c3183cca0c6152f00d66 [0,2,0,0,0,0|1,0,0]=3 11733 B13R0.1120 CCC(CC)COCCOCC(=O)O c111ba7e6ddbfa83f6c21ae9984617fa [0,2,0,0,0,0|2,0,0]=4 11734 B13R0.1120 CCC(CC)NCCCCCC(=O)C 077f5dd2f692ccd40061963b75352ca9 [0,2,0,0,0,0|2,0,0]=4 11735 B13R0.1120 CCC(CC)NCCCCCC(=O)N 48ea0f3d9b4f68d8776dbe38158804df [0,2,0,0,0,0|2,0,0]=4 11736 B13R0.1120 CCC(CC)NCCCCCC(=O)O ae7bc6441c32d1eec1e4d01273f660c6 [0,2,0,0,0,0|1,0,0]=3 11737 B13R0.1120 CCC(CC)NCCCOCC(=O)O eaa3ccbeb2e129362861ac706169bcf3 [0,2,0,0,0,0|2,0,0]=4 11738 B13R0.1120 CCC(CC)NCCOCCC(=O)O e6174438221ae024066ca8edd8a961ec [0,2,0,0,0,0|2,0,0]=4 11739 B13R0.1120 CCC(CC)OCCCCCC(=O)C f6fcc3bc308aa058a7b542686c739bb1 [0,2,0,0,0,0|2,0,0]=4 11740 B13R0.1120 CCC(CC)OCCCCCC(=O)N d440d42db6a179e4827ed2bf56add39f [0,2,0,0,0,0|2,0,0]=4 11741 B13R0.1120 CCC(CC)OCCCOCC(=O)O bf887d7ead66d94e911cc4619842abbb [0,2,0,0,0,0|2,0,0]=4 11742 B13R0.1120 CCC(CC)OCCOCCC(=O)O adf5f933b5c40f1cd4be780c757baeae [0,2,0,0,0,0|2,0,0]=4 11743 B13R0.1120 CCC(CO)CNCCCCC(=O)C 653d3375b1bb07005fefec68f28a7636 [0,2,0,0,0,0|2,0,0]=4 11744 B13R0.1120 CCC(CO)CNCCCCC(=O)N db7406a42424d2a0d77101db8572c3a1 [0,2,0,0,0,0|2,0,0]=4 11745 B13R0.1120 CCC(CO)CNCCCCC(=O)O 266f23a7966f90067b7138009bbffc8c [0,2,0,0,0,0|1,0,0]=3 11746 B13R0.1120 CCC(CO)CNCCOCC(=O)O 7fd98c329bc8fe2dc8e05d2a4d953a84 [0,2,0,0,0,0|2,0,0]=4 11747 B13R0.1120 CCC(CO)CNCCSCC(=O)O 5e6eaa142ce8359d7eb8ad0b5eca8ec6 [0,2,0,0,0,0|2,0,0]=4 11748 B13R0.1120 CCC(CO)NCCCCCC(=O)C fd42f67e722439e987d50fe859e6a730 [0,2,0,0,0,0|2,0,0]=4 11749 B13R0.1120 CCC(CO)NCCCCCC(=O)N fb7ff52041fdcfe70fe29e47f362905a [0,2,0,0,0,0|2,0,0]=4 11750 B13R0.1120 CCC(CO)NCCCCCC(=O)O 3e709da98d1008287f8c5a5715cf4d40 [0,2,0,0,0,0|1,0,0]=3 11751 B13R0.1120 CCC(CO)NCCCOCC(=O)O 90f9cdfe8b91fd2621f803859f3380af [0,2,0,0,0,0|2,0,0]=4 11752 B13R0.1120 CCC(CO)NCCOCCC(=O)O df5637e5acd0f94792fb1d624eb27874 [0,2,0,0,0,0|2,0,0]=4 11753 B13R0.1120 CCC(COCCCCC(=O)C)OC 58dbd9e360942f327fb025fc2257340f [0,2,0,0,0,0|2,0,0]=4 11754 B13R0.1120 CCC(COCCCCC(=O)N)OC ef64058cdced166c5a6b4738caa03428 [0,2,0,0,0,0|2,0,0]=4 11755 B13R0.1120 CCC(COCCOCC(=O)O)OC 04605ae476f3087f992321c301623c56 [0,2,0,0,0,0|2,0,0]=4 11756 B13R0.1120 CCN(CC)CCCCNCC(=O)O d564bc9eea877b14f99a6c0a4104235f [0,2,0,0,0,0|2,0,0]=4 11757 B13R0.1120 CCN(CC)CCCCOCC(=O)O 441f150c4ab4a1ae6e7858bdd59359f2 [0,2,0,0,0,0|2,0,0]=4 11758 B13R0.1120 CCN(CC)CCCNCCC(=O)O 945b63d9653b5b7996db6a9d2edc8f4a [0,2,0,0,0,0|2,0,0]=4 11759 B13R0.1120 CCN(CC)CCCOCCC(=O)O 0cc2d028148004229b9fb40e8f1e7ed5 [0,2,0,0,0,0|2,0,0]=4 11760 B13R0.1120 CC[C@@H](CO)NCCCCCC(=O)C eebc625f721329d5ec494854f8e8fde8 [0,2,0,0,0,0|2,0,0]=4 11761 B13R0.1120 CC[C@@H](CO)NCCCCCC(=O)N 02a603e037240e7e1faddb32b4bbb074 [0,2,0,0,0,0|2,0,0]=4 11762 B13R0.1120 CC[C@@H](CO)NCCCOCC(=O)O 547b9b6ca608a83ad148deafd8dd97db [0,2,0,0,0,0|2,0,0]=4 11763 B13R0.1120 CC[C@@H](CO)NCCOCCC(=O)O 5e74ee4d690bf7a86597bd31645209c2 [0,2,0,0,0,0|2,0,0]=4 11764 B13R0.1120 CC[C@H](CO)NCCCCCC(=O)C 78a02204290632b45db1643d570c2318 [0,2,0,0,0,0|2,0,0]=4 11765 B13R0.1120 CC[C@H](CO)NCCCCCC(=O)N 4bb35401741fa95b39481012edf3c2c6 [0,2,0,0,0,0|2,0,0]=4 11766 B13R0.1120 CC[C@H](CO)NCCCOCC(=O)O e4b6b420ec6c9df88f6bbafc833d83c4 [0,2,0,0,0,0|2,0,0]=4 11767 B13R0.1120 CC[C@H](CO)NCCOCCC(=O)O 712c7298011563ea5320f7c9b312ad76 [0,2,0,0,0,0|2,0,0]=4 11768 B13R0.1120 COC(CCCCNCC(=O)O)OC da48659a6ffd3a72c3b374e33455e4a2 [0,2,0,0,0,0|2,0,0]=4 11769 B13R0.1120 COC(CCCNCCC(=O)O)OC 49cb8d6b449f4e04ae19850fb5284124 [0,2,0,0,0,0|2,0,0]=4 11770 B13R0.1120 COC(CCCOCCC(=O)O)OC 3afb6e4c8af9398cf0b0ded4eb4cdb0b [0,2,0,0,0,0|2,0,0]=4 11771 B13R0.1120 COC(CNCCCCC(=O)O)OC 0c41d00c6d23bdf1c875b8c3ee324fcf [0,2,0,0,0,0|2,0,0]=4 11772 B13R0.1120 COC(COCCCCC(=O)O)OC 299beffe7fd2ab7a8a308e9a65f05abd [0,2,0,0,0,0|2,0,0]=4 11773 B13R0.1120 CO[C@@H](CO)CNCCCCC(=O)O 0fb17ecec6a5894b955442679b3fe21c [0,2,0,0,0,0|2,0,0]=4 11774 B13R0.1120 O=C(O)CCCCCNC(CO)CO 0b85d35085c0c5854df8a70211140ef2 [0,2,0,0,0,0|2,0,0]=4 11775 B13R0.1120 O=C(O)CCCCNCC(CO)CO 48e29fc17ff4e03262c31ece800c9408 [0,2,0,0,0,0|2,0,0]=4 11776 B13R0.1120 O=C(O)CCCCOCC(CBr)CBr d1097387ce9db5ed52fa62bb57546017 [0,2,0,0,0,0|2,0,0]=4 11777 B13R0.1120 O=C(O)CCCNCCC(CO)CO 4c36f1f31d4cb79a1cd6e6e289874a2c [0,2,0,0,0,0|2,0,0]=4 11778 B13R0.1120 O=C(O)CNCCCCC(CO)CO b4245c0010cc2274645dfb6c3c2f9a2c [0,2,0,0,0,0|2,0,0]=4 11779 B13R0.1 C#CCCCCN(C)CCCC(=O)O bc71162420d15636a5f58b35d5ca2993 [0,2,0,0,0,0|0,0,2]=4 11780 B13R0.1 C/C=C\CCCN(C)CCCC(=O)O abba1bc34198481b368ced76dcaf2586 [0,2,0,0,0,0|0,0,2]=4 11781 B13R0.1 C=C(Br)COCC(C)CCCCCC 5902261a71c674932e09c3afb883406b [0,2,0,0,0,0|2,0,0]=4 11782 B13R0.1 C=C(C)CCCC(C)CCOCCC 22ada021c401da41c9a2e235bc55feb8 [0,2,0,0,0,0|2,0,0]=4 11783 B13R0.1 C=C(C)CCCN(C)CCCCCC 72d385bf2cb771159bf67a59f45b9549 [0,2,0,0,0,0|2,0,0]=4 11784 B13R0.1 C=C(C)CCNC(C)CCCCCC 553e49a7a966254ef5862d7dc4a035d4 [0,2,0,0,0,0|2,0,0]=4 11785 B13R0.1 C=C(C)CCN[C@@H](C)CCCCCC b7c8c9bb44370b84c5158975bb7abcd6 [0,2,0,0,0,0|2,0,0]=4 11786 B13R0.1 C=C(C)CCN[C@H](C)CCCCCC fc06e59ed1b5cf507d29f1df5e3c24a2 [0,2,0,0,0,0|2,0,0]=4 11787 B13R0.1 C=C(C)CCOC(C)CCCCCC f307f70ccccfe20dbdc9801dfe79d72e [0,2,0,0,0,0|2,0,0]=4 11788 B13R0.1 C=C(C)CCO[C@@H](C)CCCCCC c0e079b5538ef1dc99e773b9e26b1970 [0,2,0,0,0,0|2,0,0]=4 11789 B13R0.1 C=C(C)CCO[C@H](C)CCCCCC 059691b0239641ee8765214e8106cb64 [0,2,0,0,0,0|2,0,0]=4 11790 B13R0.1 C=C(C)COCC(C)CCCCCC fc222ab0dd526b6bb1a423e3ff85634d [0,2,0,0,0,0|2,0,0]=4 11791 B13R0.1 C=C(Cl)COCC(C)CCCCCC 9641805a54d457aa63213af3699aa7d2 [0,2,0,0,0,0|2,0,0]=4 11792 B13R0.1 C=C(F)COCC(C)CCCCCC 982ce189d8ea143f7053ee649174b920 [0,2,0,0,0,0|2,0,0]=4 11793 B13R0.1 C=CCCCCC(C)OCCC(=O)O a10a0d1a1eaa7a375d6a619cb2150d80 [0,2,0,0,0,0|0,0,2]=4 11794 B13R0.1 C=CCCCCN(C)CCCC(=O)O 5880fa34e4c0316eb4f55bdf8ba66584 [0,2,0,0,0,0|0,0,2]=4 11795 B13R0.1 C=CCCCC[C@@H](C)OCCC(=O)O bfa1881bde9b6302742d9453eba2a61d [0,2,0,0,0,0|0,0,2]=4 11796 B13R0.1 CC(=O)CCCN(C)CCCCCO 21086aeeebb1fcf1cdfeb121e5331162 [0,2,0,0,0,0|2,0,0]=4 11797 B13R0.1 CC/C=C\CCN(C)CCCC(=O)O 9532d2e9a814f395765a9f61c7fc5758 [0,2,0,0,0,0|0,0,2]=4 11798 B13R0.1 CCC/C=C/CN(C)CCCC(=O)O de9d1f47152d6f07961f4984d9a02fad [0,2,0,0,0,0|0,0,2]=4 11799 B13R0.1 CCC/C=C\CN(C)CCCC(=O)O 9bd4f3753652ebca645a259ba7832761 [0,2,0,0,0,0|0,0,2]=4 11800 B13R0.1 CCCCCCC(=O)NCCC(=O)N 49269a2ffcba2ea0c46dc2bfbbddb2e5 [0,2,0,0,0,0|1,0,1]=4 11801 B13R0.1 CCCCCCC(=O)NCCS(=O)O b526a19ac66142d0fac1905548af9241 [0,2,0,0,0,0|1,0,1]=4 11802 B13R0.1 CCCCCCC(C)COCC(=O)N 73bc1952fd58f4e87c78087f9a46140e [0,2,0,0,0,0|1,0,0]=3 11803 B13R0.1 CCCCCCC(C)COCC(=O)O e8cb84463d4c42a53af0231f0184c636 [0,2,0,0,0,0|0,0,0]=2 11804 B13R0.1 CCCCCCC(C)COC[N+](=O)[O-] 7ff88d7254bbb2e9e5f63ce5e6cad024 [0,2,0,0,0,0|1,0,1]=4 11805 B13R0.1 CCCCCCC(C)NCCC(=O)C f9d5e71c1fe16851fc70d2ba2666af17 [0,2,0,0,0,0|1,0,0]=3 11806 B13R0.1 CCCCCCC(C)NCCC(=O)N 2826ff1d96a49d7d290fac6a14bd3f51 [0,2,0,0,0,0|1,0,0]=3 11807 B13R0.1 CCCCCCC(C)NCCC(=O)O f76c107b5556bc38336392a31d94b7a6 [0,2,0,0,0,0|0,0,0]=2 11808 B13R0.1 CCCCCCC(C)NCCC(=S)N 4e6ef329069d38e87ef469da48e28b7d [0,2,0,0,0,0|1,1,0]=4 11809 B13R0.1 CCCCCCC(C)NCCC(C)O 3da08a759ac6188349a584781836fa40 [0,2,0,0,0,0|1,0,1]=4 11810 B13R0.1 CCCCCCC(C)NCCS(=O)C 773b55d403e139b1055073d228d99b57 [0,2,0,0,0,0|2,0,0]=4 11811 B13R0.1 CCCCCCC(C)NCCS(=O)O f4a627b8264d8beadbd5747deb055781 [0,2,0,0,0,0|1,0,0]=3 11812 B13R0.1 CCCCCCC(C)NCC[C@@H](C)O 01f8a71ade9ca431a0460fc7f3acc0f5 [0,2,0,0,0,0|1,0,1]=4 11813 B13R0.1 CCCCCCC(C)NCC[C@H](C)O 1e691bb241fade97ff33cd522614ac67 [0,2,0,0,0,0|1,0,1]=4 11814 B13R0.1 CCCCCCC(C)NCOC(=O)C 64c5d3afbb87115fd612279321de827e [0,2,0,0,0,0|2,0,0]=4 11815 B13R0.1 CCCCCCC(C)NCSC(=O)N 526e490e5f5453285e4de81b49c85e41 [0,2,0,0,0,0|2,0,0]=4 11816 B13R0.1 CCCCCCC(C)OCCC(=O)C 147b8a54d9ded1eebcb47adf01061300 [0,2,0,0,0,0|1,0,0]=3 11817 B13R0.1 CCCCCCC(C)OCCC(=O)N f985cc6efb33214c8c91077c86548185 [0,2,0,0,0,0|1,0,0]=3 11818 B13R0.1 CCCCCCC(C)OCCC(=O)O fbf74add55c316cbf09693fb9af81d13 [0,2,0,0,0,0|0,0,0]=2 11819 B13R0.1 CCCCCCC(C)OCCS(=O)C 442cbf38baa882030beb0f0c2ff1c623 [0,2,0,0,0,0|2,0,0]=4 11820 B13R0.1 CCCCCCC(C)OCNC(=O)C cb39bd7c3e4d1450bfd385c057d8cfbd [0,2,0,0,0,0|2,0,0]=4 11821 B13R0.1 CCCCCCC(C)OCNC(=O)N ae446f0136e039b88de4a63ff12786af [0,2,0,0,0,0|2,0,0]=4 11822 B13R0.1 CCCCCCC(C)OCOC(=O)C 4b28f9bd234c746b9d378cf3935b0ac1 [0,2,0,0,0,0|2,0,0]=4 11823 B13R0.1 CCCCCCC(C)OCSC(=O)N 1b05643dfbef703f72f5e5efe8778e05 [0,2,0,0,0,0|2,0,0]=4 11824 B13R0.1 CCCCCCN(C)C/C=C/C(=O)O e7e6d25f7217e85cbbf06731fc25b063 [0,2,0,0,0,0|0,0,2]=4 11825 B13R0.1 CCCCCCN(C)CC=CC(=O)O 70853bcdd2e6854c89f78fb428eae782 [0,2,0,0,0,0|0,0,2]=4 11826 B13R0.1 CCCCCCN(C)CCCC(=O)C 2f9d53a2c3c662f2e1c160f0399c99d8 [0,2,0,0,0,0|1,0,0]=3 11827 B13R0.1 CCCCCCN(C)CCCC(=O)N 732d50b7f7a4bb4791007fff065d7169 [0,2,0,0,0,0|1,0,0]=3 11828 B13R0.1 CCCCCCN(C)CCCC(=O)O dfe38c98b9c6b8e2674a2b55eff76e67 [0,2,0,0,0,0|0,0,0]=2 11829 B13R0.1 CCCCCCN(C)CCCC(C)O 8b3009c5ca13cacf3dbf9bcabb2470ef [0,2,0,0,0,0|1,0,1]=4 11830 B13R0.1 CCCCCCN(C)CCNC(=O)C 78882565f1c8ecd882edea2791e33f45 [0,2,0,0,0,0|2,0,0]=4 11831 B13R0.1 CCCCCCN(C)CCNC(=O)N c1c74c3d86b1de97bec02615557e69b8 [0,2,0,0,0,0|2,0,0]=4 11832 B13R0.1 CCCCCCN(C)CCOC(=O)C 34daafe7585d795fe90a90fc20c0d048 [0,2,0,0,0,0|2,0,0]=4 11833 B13R0.1 CCCCCCN(C)CCSC(=O)C 021db11c79092ea3935b2c2e13402587 [0,2,0,0,0,0|2,0,0]=4 11834 B13R0.1 CCCCCC[C@@H](C)NCCC(=O)C 76d81adc18f93d7b2c06de0170d56a00 [0,2,0,0,0,0|1,0,0]=3 11835 B13R0.1 CCCCCC[C@@H](C)NCCC(=O)N 15aec91b16030f47d88dac576e286e60 [0,2,0,0,0,0|1,0,0]=3 11836 B13R0.1 CCCCCC[C@@H](C)NCCC(=O)O a1963d6d70dabce63f9c8954e43ef9cc [0,2,0,0,0,0|0,0,0]=2 11837 B13R0.1 CCCCCC[C@@H](C)NCCC(C)O 16355ce816e1d62ce7df1bc1b50a9ff9 [0,2,0,0,0,0|1,0,1]=4 11838 B13R0.1 CCCCCC[C@@H](C)NCCS(=O)C 8aa14c50c1011189e5db896ed7ce5fbf [0,2,0,0,0,0|2,0,0]=4 11839 B13R0.1 CCCCCC[C@@H](C)NCOC(=O)C 1a4012e649c42995306805b38b1b305b [0,2,0,0,0,0|2,0,0]=4 11840 B13R0.1 CCCCCC[C@@H](C)NCSC(=O)N 72dfe31050d1a1183efc3f10e01f4a42 [0,2,0,0,0,0|2,0,0]=4 11841 B13R0.1 CCCCCC[C@@H](C)OCCC(=O)C d7f42c44b05ad4e66f0aa74339b7d311 [0,2,0,0,0,0|1,0,0]=3 11842 B13R0.1 CCCCCC[C@@H](C)OCCC(=O)N 01817a84dfc0a5d67ec28c7c7ccf0582 [0,2,0,0,0,0|1,0,0]=3 11843 B13R0.1 CCCCCC[C@@H](C)OCCC(=O)O cd0d197c68b78adbfbefc8bbee6ddfb0 [0,2,0,0,0,0|0,0,0]=2 11844 B13R0.1 CCCCCC[C@@H](C)OCCS(=O)C 3e07017a035a47bd72184a220bee0560 [0,2,0,0,0,0|2,0,0]=4 11845 B13R0.1 CCCCCC[C@@H](C)OCOC(=O)C 1c9a3c1d5e7fdce3fa8792467736bf42 [0,2,0,0,0,0|2,0,0]=4 11846 B13R0.1 CCCCCC[C@@H](C)OCSC(=O)N 2c21993008f6a4f8bd93173708aad804 [0,2,0,0,0,0|2,0,0]=4 11847 B13R0.1 CCCCCC[C@H](C)NCCC(=O)C 6c259aad09b4cc17a39bc7386bc700db [0,2,0,0,0,0|1,0,0]=3 11848 B13R0.1 CCCCCC[C@H](C)NCCC(=O)N 77ecbf6624be93e2c5ddeb42144fc211 [0,2,0,0,0,0|1,0,0]=3 11849 B13R0.1 CCCCCC[C@H](C)NCCC(=O)O ec61bb383850e7ae5e169be113997cbf [0,2,0,0,0,0|0,0,0]=2 11850 B13R0.1 CCCCCC[C@H](C)NCCC(C)O 804b74beced8b5bfc50530882ba4a02a [0,2,0,0,0,0|1,0,1]=4 11851 B13R0.1 CCCCCC[C@H](C)NCCS(=O)C cb2bbafa1c544966d2791528cc6ea552 [0,2,0,0,0,0|2,0,0]=4 11852 B13R0.1 CCCCCC[C@H](C)NCOC(=O)C ec63511cbd63b627da16f00fe9606cc5 [0,2,0,0,0,0|2,0,0]=4 11853 B13R0.1 CCCCCC[C@H](C)NCSC(=O)N 2644ebd6126c05a0f70c8f80d14fdb07 [0,2,0,0,0,0|2,0,0]=4 11854 B13R0.1 CCCCCC[C@H](C)OCCC(=O)C d5a77074228994f4898d383b40655596 [0,2,0,0,0,0|1,0,0]=3 11855 B13R0.1 CCCCCC[C@H](C)OCCC(=O)N 804ff62cd2573b697a2bf4f016775f97 [0,2,0,0,0,0|1,0,0]=3 11856 B13R0.1 CCCCCC[C@H](C)OCCC(=O)O a4ab9929f11ea125410c3c3e11f89276 [0,2,0,0,0,0|0,0,0]=2 11857 B13R0.1 CCCCCC[C@H](C)OCCS(=O)C a1aea0eb52d17aba8cb6d1c5ec233d69 [0,2,0,0,0,0|2,0,0]=4 11858 B13R0.1 CCCCCC[C@H](C)OCOC(=O)C de61f97fc60ebccbaef5f6a03e2d13cf [0,2,0,0,0,0|2,0,0]=4 11859 B13R0.1 CCCCCC[C@H](C)OCSC(=O)N 94c9a508d068bca7530e023536ac44a4 [0,2,0,0,0,0|2,0,0]=4 11860 B13R0.1 CCCCCNC(=O)CCCC(=O)C 41a77aedd0e6f85d80d30db94793e06b [0,2,0,0,0,0|1,0,1]=4 11861 B13R0.1 CCCCCNC(=O)CCCC(=O)N 705b76af8e5096fdf5aa6a9e5f734565 [0,2,0,0,0,0|1,0,1]=4 11862 B13R0.1 CCCCCNC(=O)CNCC(=O)O 5659ea45ef2d89cc931606e181ab8611 [0,2,0,0,0,0|1,0,1]=4 11863 B13R0.1 CCCCCNC(=O)NCCC(=O)O c91b9c539c253295aca3683bee54181f [0,2,0,0,0,0|1,0,1]=4 11864 B13R0.1 CCCCCNC(=S)NCCC(=O)O 6332146e6a8ef5d0adc749b51de4ede3 [0,2,0,0,0,0|1,0,1]=4 11865 B13R0.1 CCCCNCC(=O)NCCC(=O)O 940be63654b6239041eb0c4fe7d020b3 [0,2,0,0,0,0|1,0,1]=4 11866 B13R0.1 CCCCOCC(=O)NCCC(=O)O e3c36a8927c57c496c2ccbc1af6a39c0 [0,2,0,0,0,0|1,0,1]=4 11867 B13R0.1 CCCCOCC(C)OCCC(=O)C a5eeb407a5fa915eaf0ff1b9ab79dec9 [0,2,0,0,0,0|2,0,0]=4 11868 B13R0.1 CCCCOCC(C)OCCC(=O)N 0c5986e260211335a2313e40799f6817 [0,2,0,0,0,0|2,0,0]=4 11869 B13R0.1 CCCCOCC(C)OCCC(=O)O a487e59c504729ddb25a985f071a8ff4 [0,2,0,0,0,0|1,0,0]=3 11870 B13R0.1 CCCCOCN(C)CCCC(=O)N 5615a61571e1bba5120f7b558dbbc647 [0,2,0,0,0,0|2,0,0]=4 11871 B13R0.1 CCCCOCN(C)CCCC(=O)O c9f97b00f7fa680bd2bf6cdf31290da3 [0,2,0,0,0,0|1,0,0]=3 11872 B13R0.1 CCCNCCC(=O)NCCC(=O)O b196bcc22e5558a4cc03f0a1d91c318e [0,2,0,0,0,0|1,0,1]=4 11873 B13R0.1 CCCOCCN(C)CCCC(=O)N a43009010a41886bbb1ea36d6cd5adf6 [0,2,0,0,0,0|2,0,0]=4 11874 B13R0.1 CCCOCCN(C)CCCC(=O)O a055918cd6460bd4ca93c95c41ec8bd4 [0,2,0,0,0,0|1,0,0]=3 11875 B13R0.1 CCOCCCN(C)CCCC(=O)N 3b772ce6aed5b981dccd199e79ea490d [0,2,0,0,0,0|2,0,0]=4 11876 B13R0.1 CCOCCCN(C)CCCC(=O)O 9928d75350c2a9d2de79f79a2033d161 [0,2,0,0,0,0|1,0,0]=3 11877 B13R0.1 CCSCCCN(C)CCCC(=O)N c0243d311dc5c015f770606bdb01b9b7 [0,2,0,0,0,0|2,0,0]=4 11878 B13R0.1 CCSCCCN(C)CCCC(=O)O b1e2c780f7911b2ab5ee227e917ca126 [0,2,0,0,0,0|1,0,0]=3 11879 B13R0.1 CN(CCCC(=O)O)CCOCCO 28b31e4318afe39373bb87311c9b122f [0,2,0,0,0,0|2,0,0]=4 11880 B13R0.1 CN(CCCCC#N)CCCC(=O)O 179459183b572156e55fc578d063f41e [0,2,0,0,0,0|1,0,1]=4 11881 B13R0.1 CN(CCCCC=O)CCCC(=O)O 634c15b61c957eba464a4a6dd8f86679 [0,2,0,0,0,0|1,0,1]=4 11882 B13R0.1 CN(CCCCCF)CCCC(=O)N 436d0a2497c5bf609f5d3d7fcef69119 [0,2,0,0,0,0|2,0,0]=4 11883 B13R0.1 CN(CCCCCF)CCCC(=O)O fdbe46acdc8b65fa3ad7771f1760e8d4 [0,2,0,0,0,0|1,0,0]=3 11884 B13R0.1 CN(CCCCCO)CCCC(=O)N 2b7b0ba3e9d66baf38cb8b8a8c892f37 [0,2,0,0,0,0|2,0,0]=4 11885 B13R0.1 CN(CCCCCO)CCCC(=O)O de3071b835cb49fc81e31793c2f3eb9b [0,2,0,0,0,0|1,0,0]=3 11886 B13R0.1 CN(CCCCON)CCCC(=O)O 682b043dc72b441942db79fa9248f906 [0,2,0,0,0,0|2,0,0]=4 11887 B13R0.1 COCCCCN(C)CCCC(=O)C ba12e155ba699ce64016584b0165ba70 [0,2,0,0,0,0|2,0,0]=4 11888 B13R0.1 COCCCCN(C)CCCC(=O)N 2b9c928d0b5922f64c5600fe7297236b [0,2,0,0,0,0|2,0,0]=4 11889 B13R0.1 COCCCCN(C)CCCC(=O)O 5366afd7dcc9d517bc3009a3f80442d8 [0,2,0,0,0,0|1,0,0]=3 11890 B13R0.1 COCCOCN(C)CCCC(=O)O 91cb684054bd8a727f5ce5c753fdff8e [0,2,0,0,0,0|2,0,0]=4 11891 B13R0.1 COCOCCN(C)CCCC(=O)O bd5b36d20c9aaeeb6a4a3cbc628d5ee0 [0,2,0,0,0,0|2,0,0]=4 11892 B13R0.139 CC(CCCCO)N(C)CCC(=O)O 1e7a209a9fc4346b9ccc772418c6fb80 [0,2,0,0,0,0|2,0,0]=4 11893 B13R0.139 CCCCCC(C)N(C)CCC(=O)N 669c8d31c36977a79e3b5d6028e43237 [0,2,0,0,0,0|2,0,0]=4 11894 B13R0.139 CCCCCC(C)N(C)CCC(=O)O 535cab981297df37bbf1ebecc895fd85 [0,2,0,0,0,0|1,0,0]=3 11895 B13R0.139 CCCCCN(C)C(C)CCC(=O)O 783632a5dbda97acc6fc1e9b6ae683d8 [0,2,0,0,0,0|1,0,0]=3 11896 B13R0.139 CCCCC[C@H](C)N(C)CCC(=O)N 3f2be516e610c0965f0a458abf75d514 [0,2,0,0,0,0|2,0,0]=4 11897 B13R0.139 CCCCC[C@H](C)N(C)CCC(=O)O 926c277ba2a61274eb936e5373909c73 [0,2,0,0,0,0|1,0,0]=3 11898 B13R0.153 C#CC(CCCCC)OCCC(=O)C 71ce8ce8d8fdf5b2398ee996b5502e1c [0,2,0,0,0,0|2,0,0]=4 11899 B13R0.153 C#CC(CCCCC)OCCC(=O)N 91a78f3c6d0ab460c7fe8020aff7f99b [0,2,0,0,0,0|2,0,0]=4 11900 B13R0.153 C#CC(CCCCC)OCCC(=O)O bebf81a06d62f13642022df48d1a595a [0,2,0,0,0,0|1,0,0]=3 11901 B13R0.153 C#C[C@H](CCCCC)OCCC(=O)C b9c5e90274b65e0fa77eb80649cfa1fc [0,2,0,0,0,0|2,0,0]=4 11902 B13R0.153 C#C[C@H](CCCCC)OCCC(=O)N 4a23052fb71c34a4edbb24eba9faf472 [0,2,0,0,0,0|2,0,0]=4 11903 B13R0.153 C#C[C@H](CCCCC)OCCC(=O)O 9a552ade5528d981d4e129ba061a3aa4 [0,2,0,0,0,0|1,0,0]=3 11904 B13R0.153 C=CC(CCCCC)OCCC(=O)C 357406475c1f66990f3382765bb7d708 [0,2,0,0,0,0|2,0,0]=4 11905 B13R0.153 C=CC(CCCCC)OCCC(=O)N 58673ce35e872ce66fabc33cf10e7bb9 [0,2,0,0,0,0|2,0,0]=4 11906 B13R0.153 C=CC(CCCCC)OCCC(=O)O 1850a873783a6130f2367cf23bbef23f [0,2,0,0,0,0|1,0,0]=3 11907 B13R0.153 C=C[C@H](CCCCC)OCCC(=O)C 1c7a1899f2289fed9882fac19098774e [0,2,0,0,0,0|2,0,0]=4 11908 B13R0.153 C=C[C@H](CCCCC)OCCC(=O)N 1c8b93686cc265a9a2a91f49b876e472 [0,2,0,0,0,0|2,0,0]=4 11909 B13R0.153 C=C[C@H](CCCCC)OCCC(=O)O ceb248694a07a64c293eac2dac775c9a [0,2,0,0,0,0|1,0,0]=3 11910 B13R0.153 CCCCCC(CC)COCC(=O)N 4792eee1a78a9975c5acdf674ae7be9a [0,2,0,0,0,0|2,0,0]=4 11911 B13R0.153 CCCCCC(CC)COCC(=O)O 0b45dbe71c0a2ee3535c1c6c0dbb84eb [0,2,0,0,0,0|1,0,0]=3 11912 B13R0.153 CCCCCC(CC)OCCC(=O)C 0de8af565fcba2577fc6b13ee735274a [0,2,0,0,0,0|2,0,0]=4 11913 B13R0.153 CCCCCC(CC)OCCC(=O)N 6a353b8aba32e248fb222009434a74dd [0,2,0,0,0,0|2,0,0]=4 11914 B13R0.153 CCCCCC(CC)OCCC(=O)O 966964dfd4de1769fe3d2964a229cbb8 [0,2,0,0,0,0|1,0,0]=3 11915 B13R0.153 CCCCC[C@H](CC)OCCC(=O)C 0e58fd9cfcbedc3be729d1385c451a12 [0,2,0,0,0,0|2,0,0]=4 11916 B13R0.153 CCCCC[C@H](CC)OCCC(=O)N f9fab1c499167c7216305087cf9abcc7 [0,2,0,0,0,0|2,0,0]=4 11917 B13R0.153 CCCCC[C@H](CC)OCCC(=O)O d4e885869b1c0ab81e4215e04983a25d [0,2,0,0,0,0|1,0,0]=3 11918 B13R0.194 C=C(COCC(C)CCCCC)OC 191969aed499ed9583f15adaee2ba3f4 [0,2,0,0,0,0|2,0,0]=4 11919 B13R0.194 C=CC(=O)CCCN(C)CCCCC 7f960548aece4a85810f8a3d3164a59d [0,2,0,0,0,0|2,0,0]=4 11920 B13R0.194 CC(CCCCO)NCCC(=O)NO 0af120e5b8ab0849bcc880103fa36f86 [0,2,0,0,0,0|2,0,0]=4 11921 B13R0.194 CCCCCC(=O)CNCC(=O)NO 113f5908b9039e018c817726ed8d2c04 [0,2,0,0,0,0|1,0,1]=4 11922 B13R0.194 CCCCCC(=O)CNCC(=O)OC 1468b47e26b70aa6bcccda7247f2039c [0,2,0,0,0,0|1,0,1]=4 11923 B13R0.194 CCCCCC(=O)COCC(=O)OC e301c323b0e46ecb5934a2353b572642 [0,2,0,0,0,0|1,0,1]=4 11924 B13R0.194 CCCCCC(=O)NCCC(=O)NO b520a9833429ce3ef96a9d5cbf061d11 [0,2,0,0,0,0|1,0,1]=4 11925 B13R0.194 CCCCCC(=O)NCCC(=O)OC 68e9a9254e38a999753e10ec42fad55a [0,2,0,0,0,0|1,0,1]=4 11926 B13R0.194 CCCCCC(C)COCC(=O)CC 174b88c7e0ae3778d812212fbfb94b41 [0,2,0,0,0,0|2,0,0]=4 11927 B13R0.194 CCCCCC(C)COCC(=O)NC dc07dfeccff51559e49dcf67703d3752 [0,2,0,0,0,0|2,0,0]=4 11928 B13R0.194 CCCCCC(C)COCC(=O)OC 5b0135cb9bb188b01b0f9ef44adcfc62 [0,2,0,0,0,0|1,0,0]=3 11929 B13R0.194 CCCCCC(C)NCCC(=O)NC b9493e034243dd28f8da4fb7b701c24e [0,2,0,0,0,0|2,0,0]=4 11930 B13R0.194 CCCCCC(C)NCCC(=O)NO 80996f04d8a408299b2edd49aefec4ca [0,2,0,0,0,0|1,0,0]=3 11931 B13R0.194 CCCCCC(C)NCCC(=O)OC 98960115fc268049b31d11c676a70711 [0,2,0,0,0,0|1,0,0]=3 11932 B13R0.194 CCCCCC(C)NCOC(=O)OC 6ebd52272fdab591fb7f6229d514736d [0,2,0,0,0,0|2,0,0]=4 11933 B13R0.194 CCCCCC(C)OCCC(=O)NC 32103c7d15cebeaef9745c19dbe65a1f [0,2,0,0,0,0|2,0,0]=4 11934 B13R0.194 CCCCCC(C)OCCC(=O)OC 072957a6513c11279c4892977aa03bf4 [0,2,0,0,0,0|1,0,0]=3 11935 B13R0.194 CCCCCN(C)CCCC(=O)NC 20fed234de1db28a4e719eb15db9ddc4 [0,2,0,0,0,0|2,0,0]=4 11936 B13R0.194 CCCCCN(C)CCCC(=O)OC d8679ad335704dc5fada9f0f3e1dcb2c [0,2,0,0,0,0|1,0,0]=3 11937 B13R0.194 CCCCC[C@@H](C)OCCC(=O)NC 2c289493c144f9d279ec3e874ccc2a48 [0,2,0,0,0,0|2,0,0]=4 11938 B13R0.194 CCCCC[C@@H](C)OCCC(=O)OC ceedba82f63534410cf89b7825a0b2c4 [0,2,0,0,0,0|1,0,0]=3 11939 B13R0.194 CCCCC[C@H](C)NCCC(=O)NC 0af96f8e8f97164754b499201e3f8a0b [0,2,0,0,0,0|2,0,0]=4 11940 B13R0.194 CCCCC[C@H](C)NCCC(=O)NO 9e467d61c0a3dfd440f8361afb62d01d [0,2,0,0,0,0|1,0,0]=3 11941 B13R0.194 CCCCC[C@H](C)NCCC(=O)OC b1762e7a537ecefbd306926170fa96e1 [0,2,0,0,0,0|1,0,0]=3 11942 B13R0.194 CCCCC[C@H](C)NCOC(=O)OC 227193d689a124fb232eb4a00ea50863 [0,2,0,0,0,0|2,0,0]=4 11943 B13R0.194 CCCCC[C@H](C)OCCC(=O)NC bd53155b7d0621f17a1a14aa6961b392 [0,2,0,0,0,0|2,0,0]=4 11944 B13R0.194 CCCCC[C@H](C)OCCC(=O)OC 1b7d444e8493e5ff444a89307762e9c9 [0,2,0,0,0,0|1,0,0]=3 11945 B13R0.194 CCCCNC(=O)CCCC(=O)OC 8cc44b0c70012510f30d7d166f4af9c8 [0,2,0,0,0,0|1,0,1]=4 11946 B13R0.194 CCCCNC(C)CCCC(=O)OC 698631512860397d59499ea087d15ed2 [0,2,0,0,0,0|1,0,0]=3 11947 B13R0.194 CCCCOC(C)CCCC(=O)OC 039e0bb4c8ea4607ef38bc1b3e48b77b [0,2,0,0,0,0|1,0,0]=3 11948 B13R0.194 CCCOCC(C)COCC(=O)OC c412d62522b2bf47c8e850f3c18c6615 [0,2,0,0,0,0|2,0,0]=4 11949 B13R0.194 CCCOCC(C)OCCC(=O)OC ab8e6b5bd2ad9fe66e85f313f36f28c8 [0,2,0,0,0,0|2,0,0]=4 11950 B13R0.194 CCOCCN(C)CCCC(=O)OC 21ce0718669ee196bb2ef04456b810bd [0,2,0,0,0,0|2,0,0]=4 11951 B13R0.194 COC(=O)CCCC(C)NCCCCl d65195d900690356842f8ce0197db80e [0,2,0,0,0,0|2,0,0]=4 11952 B13R0.194 COC(=O)CCCC(C)NCCCO 5d51154093b8b274542a8e3ca0a4bb67 [0,2,0,0,0,0|2,0,0]=4 11953 B13R0.194 COC(=O)CCCC(C)NCCSC f57e7809e3c83871cab77b0363f01273 [0,2,0,0,0,0|2,0,0]=4 11954 B13R0.194 COC(=O)CCCC(C)OCCCF 976672b0cb18330a505d916dba6dd939 [0,2,0,0,0,0|2,0,0]=4 11955 B13R0.194 COC(=O)CCCC(C)OCCCS 8c598994b42f55286b5e05c5208816bb [0,2,0,0,0,0|2,0,0]=4 11956 B13R0.194 COC(=O)CCCC(C)OCCSC 7ec5d0c7f565d39316815c71cee41402 [0,2,0,0,0,0|2,0,0]=4 11957 B13R0.194 COC(=O)CCCN(C)CCCCO 5f33c0e93cf949e19b925ab80a96c103 [0,2,0,0,0,0|2,0,0]=4 11958 B13R0.194 COC(=O)CCNC(C)CCCCO 0d613697b96d12379653a589e9f7a86a [0,2,0,0,0,0|2,0,0]=4 11959 B13R0.194 COCCCN(C)CCCC(=O)OC 639dc8aca20686d865bdc1d1d0ff4508 [0,2,0,0,0,0|2,0,0]=4 11960 B13R0.194 COCCNC(C)CCCC(=O)OC abf6bdeb39937b1b5132f39dcf513214 [0,2,0,0,0,0|2,0,0]=4 11961 B13R0.194 COCCOC(C)CCCC(=O)OC 3031652dd340688640f8fb894fb2754d [0,2,0,0,0,0|2,0,0]=4 11962 B13R0.331 CCCC(=O)CN(C)CCCC(=O)O c7c3cc2fd62bc54c61d3126b5ea3f451 [0,2,0,0,0,0|1,0,1]=4 11963 B13R0.331 CCCC(C)CC(C)OCCC(=O)C 66071d12336a5ec9bcaedd5955609477 [0,2,0,0,0,0|2,0,0]=4 11964 B13R0.331 CCCC(C)CC(C)OCCC(=O)N d025f5738110b6a977185bc86692107a [0,2,0,0,0,0|2,0,0]=4 11965 B13R0.331 CCCC(C)CN(C)CCCC(=O)N 41fcad9c959c4eed0a4203d828b5e321 [0,2,0,0,0,0|2,0,0]=4 11966 B13R0.331 CCCC(C)CN(C)CCCC(=O)O b508dd6e16020358e635a67bff5d9e07 [0,2,0,0,0,0|1,0,0]=3 11967 B13R0.331 CCOC(C)CN(C)CCCC(=O)O f438045d37f045a34d5d717e8c7227ea [0,2,0,0,0,0|2,0,0]=4 11968 B13R0.331 COCC(O)CN(C)CCCC(=O)O 98a43c635636107f7a88fc49602402d5 [0,2,0,0,0,0|2,0,0]=4 11969 B13R0.339 C=C(CNC(C)CCCCC)C(=O)O 99b3708184aac990ceb52ddbd3e3150d [0,2,0,0,0,0|1,0,1]=4 11970 B13R0.339 C=C(CN[C@@H](C)CCCCC)C(=O)O 757490813f55cb356bac74c31ec2835b [0,2,0,0,0,0|1,0,1]=4 11971 B13R0.339 C=C(COC(C)CCCCC)C(=O)O 2bd45202c017bd637fd5cea6d30ea98d [0,2,0,0,0,0|1,0,1]=4 11972 B13R0.339 CC(CCCCO)NCC(C)C(=O)O 9d54b1ac4a8e0af395c772fd455292ef [0,2,0,0,0,0|2,0,0]=4 11973 B13R0.339 CC(CCCCO)NCC(O)C(=O)O 5c0dbbee68aaf8a4d4bbac46464c0c60 [0,2,0,0,0,0|2,0,0]=4 11974 B13R0.339 CC(CCCCO)NC[C@@H](C)C(=O)O 23479443c29d7807bce8f9739d26cdeb [0,2,0,0,0,0|2,0,0]=4 11975 B13R0.339 CC(CCCCO)NC[C@@H](O)C(=O)O 12738701935d40478c0fbf83344b718a [0,2,0,0,0,0|2,0,0]=4 11976 B13R0.339 CC(CCCCO)NC[C@H](C)C(=O)O a9b39f47d98f82776f51a8392f0ecb95 [0,2,0,0,0,0|2,0,0]=4 11977 B13R0.339 CC(CCCCO)NC[C@H](O)C(=O)O 198f14560e1212127f7017e4260e1433 [0,2,0,0,0,0|2,0,0]=4 11978 B13R0.339 CCCCCC(=O)CNC(C)C(=O)O e9f97ecb7d62b4d969fdcc4431ee0985 [0,2,0,0,0,0|1,0,1]=4 11979 B13R0.339 CCCCCC(=O)CN[C@@H](C)C(=O)O a086b471ae26baa5d39f242f1d0a760e [0,2,0,0,0,0|1,0,1]=4 11980 B13R0.339 CCCCCC(=O)CN[C@H](C)C(=O)O 1e1da3089eefdf2cd28f46d6a5ec86c6 [0,2,0,0,0,0|1,0,1]=4 11981 B13R0.339 CCCCCC(C)COC(C)C(=O)C a280f4a7e2b10f2d6d0c445a24f5df66 [0,2,0,0,0,0|2,0,0]=4 11982 B13R0.339 CCCCCC(C)COC(C)C(=O)N 1a0d2a04636c67236893b0f9b935e58c [0,2,0,0,0,0|2,0,0]=4 11983 B13R0.339 CCCCCC(C)COC(F)C(=O)N 3737aad7de074f1838dbece7cccca2a9 [0,2,0,0,0,0|2,0,0]=4 11984 B13R0.339 CCCCCC(C)CO[C@@H](C)C(=O)N f223c93e164607094871ca7b02ae8e42 [0,2,0,0,0,0|2,0,0]=4 11985 B13R0.339 CCCCCC(C)CO[C@H](C)C(=O)N e1d107ef19634495f4ad34d7b8b10e8b [0,2,0,0,0,0|2,0,0]=4 11986 B13R0.339 CCCCCC(C)NCC(=O)C(=O)O c28409f100f41ece918cabc312ce4312 [0,2,0,0,0,0|1,0,1]=4 11987 B13R0.339 CCCCCC(C)NCC(C)C(=O)O 5188334e23f4daffa8ddc15ec41e576c [0,2,0,0,0,0|1,0,0]=3 11988 B13R0.339 CCCCCC(C)NCC(O)C(=O)O db69d62b22e10d3a81054b9efa230a4f [0,2,0,0,0,0|1,0,0]=3 11989 B13R0.339 CCCCCC(C)NC[C@@H](C)C(=O)O c005be812b6a10fe3190e264ae6c3742 [0,2,0,0,0,0|1,0,0]=3 11990 B13R0.339 CCCCCC(C)NC[C@@H](O)C(=O)O 48633eee356952ee20c64059ce9ca5b7 [0,2,0,0,0,0|1,0,0]=3 11991 B13R0.339 CCCCCC(C)NC[C@H](C)C(=O)O 62e04d63c6a0e991d5574ef67f66476e [0,2,0,0,0,0|1,0,0]=3 11992 B13R0.339 CCCCCC(C)NC[C@H](O)C(=O)O 142f6a2b68bc4c027f9065fdc06cab7a [0,2,0,0,0,0|1,0,0]=3 11993 B13R0.339 CCCCCC(C)OCC(C)C(=O)C 79d26bcf7813b1dd9da7293efde7e4fd [0,2,0,0,0,0|2,0,0]=4 11994 B13R0.339 CCCCC[C@H](C)NCC(=O)C(=O)O 28b227dfe14b45c8ef4007813451ce6a [0,2,0,0,0,0|1,0,1]=4 11995 B13R0.339 CCCCC[C@H](C)NCC(C)C(=O)O efd5ff6b77118d2d69e51864871e966b [0,2,0,0,0,0|1,0,0]=3 11996 B13R0.339 CCCCC[C@H](C)OCC(C)C(=O)C 4904ef7ff7ba036d042687248c6fc688 [0,2,0,0,0,0|2,0,0]=4 11997 B13R0.339 CCCCC[C@H](C)OCC(C)C(=O)O d12b773b209c92c395d0c067fb08d28d [0,2,0,0,0,0|1,0,0]=3 11998 B13R0.339 CCCCC[C@H](C)OC[C@@H](C)C(=O)O 49aa088e9e923c33bf01957378fe2c26 [0,2,0,0,0,0|1,0,0]=3 11999 B13R0.339 CCCCC[C@H](C)OC[C@H](C)C(=O)O a218064ceb46d6baefe2a1bda6f50b16 [0,2,0,0,0,0|1,0,0]=3 12000 B13R0.339 CCCOCC(C)OCC(C)C(=O)O 756ce6fc149ca57aa9ee88b4ba91d231 [0,2,0,0,0,0|2,0,0]=4 12001 B13R0.1259 CC(C)(CCCCO)NCCC(=O)O 73a2774c3afda67c874f1e1ddfd0432c [0,2,0,0,0,0|2,0,0]=4 12002 B13R0.1398 C=C(C)CCCN(C)CCCC(=O)O e8754955104c2bdf45ffd79fc8450459 [0,2,0,0,0,0|1,0,1]=4 12003 B13R0.1398 CC(=O)CCCN(C)CCCC(=O)O cedce2c1d479b1999244f95d16b1cf78 [0,2,0,0,0,0|1,0,1]=4 12004 B13R0.1398 CC(=O)CCNC(C)CCCC(C)C de0bbd7da62e6f3d3c0c45f67c58beef [0,2,0,0,0,0|2,0,0]=4 12005 B13R0.1398 CC(=O)CCOC(C)CCCC(C)C feee8dc6104f979bf3a68221504a3ec3 [0,2,0,0,0,0|2,0,0]=4 12006 B13R0.1398 CC(=O)NCCC(C)CCCC(C)C e4ed329d4b08aedd76f31950f14f31a7 [0,2,0,0,0,0|2,0,0]=4 12007 B13R0.1398 CC(C)CCCC(C)NCCC(=O)N d33ed3dd80fcebe843f8a82bd53fe1f4 [0,2,0,0,0,0|2,0,0]=4 12008 B13R0.1398 CC(C)CCCC(C)NCCC(=O)O b93c481fadfad9099a52488cb951ba8b [0,2,0,0,0,0|1,0,0]=3 12009 B13R0.1398 CC(C)CCCC(C)OCCC(=O)N 6190e2aa1f91b854ec4f7e2d6af0e6f7 [0,2,0,0,0,0|2,0,0]=4 12010 B13R0.1398 CC(C)CCCN(C)CCCC(=O)N f221e7318d17f760c79e1b34c84215e8 [0,2,0,0,0,0|2,0,0]=4 12011 B13R0.1398 CC(C)CCCN(C)CCCC(=O)O fb48aeb0b090dc11e8f906e708a2f7d0 [0,2,0,0,0,0|1,0,0]=3 12012 B13R0.1398 CC(C)OCCN(C)CCCC(=O)O 64e66aaf4617509d0b7015981c76bc97 [0,2,0,0,0,0|2,0,0]=4 12013 B13R0.1398 CC(C)SCCN(C)CCCC(=O)O cf1b3c6eaa798dc69e363b3b4574481f [0,2,0,0,0,0|2,0,0]=4 12014 B13R0.1398 CC(O)CCCN(C)CCCC(=O)N 4fc25f91c5e8d33d2c61beab087d4eab [0,2,0,0,0,0|2,0,0]=4 12015 B13R0.1398 CC(O)CCCN(C)CCCC(=O)O 2981e6b769c56a14fef7f7c5d0b27d19 [0,2,0,0,0,0|1,0,0]=3 12016 B13R0.1398 CN(C)CCCN(C)CCCC(=O)O f1fd3686bfbe1f3dc19c0de91f73f0a2 [0,2,0,0,0,0|2,0,0]=4 12017 B13R0.54 C#CCCCCCCCCNC(=O)C 9c430ea6431fed6d66049a7930cfe846 [0,2,0,0,0,0|1,0,1]=4 12018 B13R0.54 C#CCCCCCCCNCC(=O)C e9c1fd66f9b0f899ae997859e313d90a [0,2,0,0,0,0|1,0,1]=4 12019 B13R0.54 C#CCCCCCCCNCC(=O)N ac84c3b3d77f0022d51e372700972a95 [0,2,0,0,0,0|1,0,1]=4 12020 B13R0.54 C#CCCCCCCCNCC(=O)O 6fd8106c28d085af5cc7b0214ff00921 [0,2,0,0,0,0|0,0,1]=3 12021 B13R0.54 C#CCCCCCCCOCC(=O)C dee9a04326b593170cbbcc52f74fb77c [0,2,0,0,0,0|1,0,1]=4 12022 B13R0.54 C#CCCCCCCCOCC(=O)N 18ccbdf1c263a99bb79b67339248a2d8 [0,2,0,0,0,0|1,0,1]=4 12023 B13R0.54 C#CCCCCCCCOCC(=O)O 1b8969cabb15fdb68dcf9c50d64993d2 [0,2,0,0,0,0|0,0,1]=3 12024 B13R0.54 C#CCCCCCCCOCS(=O)O c900301c0f00713d9c49b93951a1f573 [0,2,0,0,0,0|1,0,1]=4 12025 B13R0.54 C#CCCCCCCNCCC(=O)C a849a9e45e1911983720b0b45b5c9bae [0,2,0,0,0,0|1,0,1]=4 12026 B13R0.54 C#CCCCCCCNCCC(=O)N 1f16ff780c2dbf927bce5c9cd717f107 [0,2,0,0,0,0|1,0,1]=4 12027 B13R0.54 C#CCCCCCCNCCC(=O)O 8367b14320fe0910d76e3f4ff451cbbb [0,2,0,0,0,0|0,0,1]=3 12028 B13R0.54 C#CCCCCCCNCCS(=O)O f8ce9e51c674d9384d11f5ec4c15ac72 [0,2,0,0,0,0|1,0,1]=4 12029 B13R0.54 C#CCCCCCCOCCC(=O)C c34a62bc06393ab10cdac89e8a4a0fb7 [0,2,0,0,0,0|1,0,1]=4 12030 B13R0.54 C#CCCCCCCOCCC(=O)N 80c20a3d985493b3f6cec0794938739e [0,2,0,0,0,0|1,0,1]=4 12031 B13R0.54 C#CCCCCCCOCCC(=O)O e29e7afc82ed8467723fc6d8f036a9a6 [0,2,0,0,0,0|0,0,1]=3 12032 B13R0.54 C#CCCCCCNCCCC(=O)C 23b7334f1286929ef10fda62880b022a [0,2,0,0,0,0|1,0,1]=4 12033 B13R0.54 C#CCCCCCNCCCC(=O)N bd0bd3666d622556d008d869f731ced8 [0,2,0,0,0,0|1,0,1]=4 12034 B13R0.54 C#CCCCCCOCCCC(=O)C 0b0057ff45c9279956567a4de4f9dc2d [0,2,0,0,0,0|1,0,1]=4 12035 B13R0.54 C#CCCCCCOCCCC(=O)N 3eb998ba8e9042fb3d1b6122dc0738a3 [0,2,0,0,0,0|1,0,1]=4 12036 B13R0.54 C#CCCCCNCCCCC(=O)C ab268cb492906471092352c874655da4 [0,2,0,0,0,0|1,0,1]=4 12037 B13R0.54 C#CCCCCNCCCCC(=O)N 8c74a05201b15e0232d901ba697705e0 [0,2,0,0,0,0|1,0,1]=4 12038 B13R0.54 C#CCCCCNCCCCC(=O)O fd84cdab7d67d100cc0291d4eadb7e97 [0,2,0,0,0,0|0,0,1]=3 12039 B13R0.54 C#CCCCCNCCOCC(=O)O d3092c967d5fb7197cb2c89d0fe86e5e [0,2,0,0,0,0|0,0,2]=4 12040 B13R0.54 C#CCCCCOCCCCC(=O)C 0812fdcdf48299ede8fc48f9ff196388 [0,2,0,0,0,0|1,0,1]=4 12041 B13R0.54 C#CCCCCOCCCCC(=O)N ac3fecc1b7a19399eb38478aef8e8f20 [0,2,0,0,0,0|1,0,1]=4 12042 B13R0.54 C#CCCCCOCCCCC(=O)O 1966b42b2d4125f1113e5da9acaae71e [0,2,0,0,0,0|0,0,1]=3 12043 B13R0.54 C#CCCCCOCCOCC(=O)O cfbfa2e3be4942dba54b2e1386e907f2 [0,2,0,0,0,0|0,0,2]=4 12044 B13R0.54 C#CCCCNCCCCCC(=O)C df98a9b8c2218f2823fb0a329ef57492 [0,2,0,0,0,0|1,0,1]=4 12045 B13R0.54 C#CCCCNCCCCCC(=O)N 299f2e69df77ca72357dc67fa10d3244 [0,2,0,0,0,0|1,0,1]=4 12046 B13R0.54 C#CCCCNCCCCCC(=O)O 4fd7361c698a348141f9c81d28765fe3 [0,2,0,0,0,0|0,0,1]=3 12047 B13R0.54 C#CCCCNCCCOCC(=O)O 04b2ea3444c155bbfa822e1567a4b5da [0,2,0,0,0,0|0,0,2]=4 12048 B13R0.54 C#CCCCNCCOCCC(=O)O de5214ce90feb91ce938b5963fda560a [0,2,0,0,0,0|0,0,2]=4 12049 B13R0.54 C#CCCCOCCCCCC(=O)C 558b8bc424c929ce91451850807ace6f [0,2,0,0,0,0|1,0,1]=4 12050 B13R0.54 C#CCCCOCCCCCC(=O)N b353f6fce3fa42af46aeefb97c5fdf9d [0,2,0,0,0,0|1,0,1]=4 12051 B13R0.54 C#CCCCOCCCCCC(=O)O 3ecd9a6393513ecba9314a243efda42f [0,2,0,0,0,0|0,0,1]=3 12052 B13R0.54 C#CCCCOCCCOCC(=O)O fe6684d4b5eaa9e3c31d3c36de298bc3 [0,2,0,0,0,0|0,0,2]=4 12053 B13R0.54 C#CCCCOCCOCCC(=O)O 9eb5ffe227cad4e33633f85a4e0bfdff [0,2,0,0,0,0|0,0,2]=4 12054 B13R0.54 C#CCCNCCCCCCC(=O)O 3fb982381922f6253448b85b5c1419bc [0,2,0,0,0,0|0,0,1]=3 12055 B13R0.54 C#CCCOCCCCCCC(=O)N 7c60f01471a3b908034b902efc838adc [0,2,0,0,0,0|1,0,1]=4 12056 B13R0.54 C#CCCOCCCCCCC(=O)O 3d3164b479e063f77960d56cef691623 [0,2,0,0,0,0|0,0,1]=3 12057 B13R0.54 C#CCNCCCCCCCC(=O)N ee4b81e19e83fca6226660e21267436f [0,2,0,0,0,0|1,0,1]=4 12058 B13R0.54 C#CCNCCCCCCCC(=O)O 4967bff454cd48ad4c9f3cc13d8de707 [0,2,0,0,0,0|0,0,1]=3 12059 B13R0.54 C#CCNCCOCCCCC(=O)O b3871f97b0b319be776e498e7964e16b [0,2,0,0,0,0|0,0,2]=4 12060 B13R0.54 C#CCOCCCCCCCC(=O)C cf3b128111878131bbe82a77e8d86046 [0,2,0,0,0,0|1,0,1]=4 12061 B13R0.54 C#CCOCCCCCCCC(=O)N 6449275aa04557e7ac748d73c182c0b8 [0,2,0,0,0,0|1,0,1]=4 12062 B13R0.54 C#CCOCCCCCCCC(=O)O 9276b87d53f9e835ace6bc202da11d85 [0,2,0,0,0,0|0,0,1]=3 12063 B13R0.54 C#CCOCCCOCCCC(=O)O cb0e6386499b90074449760519905dbb [0,2,0,0,0,0|0,0,2]=4 12064 B13R0.54 C#CCOCCNCCCCC(=O)O bfd01ebd38733c3b2f1485022f19df91 [0,2,0,0,0,0|0,0,2]=4 12065 B13R0.54 C#CCOCCOCCCCC(=O)O ae8693a72c0221416c3aad86bfbe4427 [0,2,0,0,0,0|0,0,2]=4 12066 B13R0.54 C/C=C/CCCOCCCCC(=O)C 0fc97bd658553558feef1f9a24d92b0c [0,2,0,0,0,0|1,0,1]=4 12067 B13R0.54 C/C=C/CCCOCCCCC(=O)N accc399925334f159884b84219d5eddd [0,2,0,0,0,0|1,0,1]=4 12068 B13R0.54 C/C=C/CCCOCCCCC(=O)O 71175cd66511176205605f6e926b77ff [0,2,0,0,0,0|0,0,1]=3 12069 B13R0.54 C/C=C/CCCOCCOCC(=O)O 438429598ba9140b6c41b6573f6cc3e9 [0,2,0,0,0,0|0,0,2]=4 12070 B13R0.54 C/C=C/CCOCCCCCC(=O)C 9cf1e30ec8c21e4825d8c19aa4c1d443 [0,2,0,0,0,0|1,0,1]=4 12071 B13R0.54 C/C=C/CCOCCCCCC(=O)N 2babdcd307a6062238b31566bd0c80fe [0,2,0,0,0,0|1,0,1]=4 12072 B13R0.54 C/C=C/CCOCCCCCC(=O)O c0c5a8535cbf5c8f57d342b540bcdd3c [0,2,0,0,0,0|0,0,1]=3 12073 B13R0.54 C/C=C/CCOCCCOCC(=O)O 242fa8f8d65db87a3a42557e55e1b84a [0,2,0,0,0,0|0,0,2]=4 12074 B13R0.54 C/C=C/CCOCCOCCC(=O)O 5dae43f01b398d0d5ba05660bd050179 [0,2,0,0,0,0|0,0,2]=4 12075 B13R0.54 C/C=C/CNCCCCCCC(=O)O b345075381f75eee3b4a4ddf8b9695ba [0,2,0,0,0,0|0,0,1]=3 12076 B13R0.54 C/C=C/COCCCCCCC(=O)N 32f29d3dd02eb6116bb262cc2c09a1fd [0,2,0,0,0,0|1,0,1]=4 12077 B13R0.54 C/C=C/COCCCCCCC(=O)O 7c3543d2ee80c688536a669d2ef6e1eb [0,2,0,0,0,0|0,0,1]=3 12078 B13R0.54 C/C=C\CCCNCCCCC(=O)N 4e4922396504b92ca52f04f2019a0259 [0,2,0,0,0,0|1,0,1]=4 12079 B13R0.54 C/C=C\CCCNCCCCC(=O)O 94b9fd1cfc73de6d71dcc1fb3e09088e [0,2,0,0,0,0|0,0,1]=3 12080 B13R0.54 C/C=C\CCCNCCOCC(=O)O 9a84be3f0193d59e4259b88def8835f0 [0,2,0,0,0,0|0,0,2]=4 12081 B13R0.54 C/C=C\CCCNCCSCC(=O)O 579ad3d044c33d8aee8b797476656914 [0,2,0,0,0,0|0,0,2]=4 12082 B13R0.54 C/C=C\CCCOCCCCC(=O)C a6a48797b169d8265a4854030209d670 [0,2,0,0,0,0|1,0,1]=4 12083 B13R0.54 C/C=C\CCCOCCCCC(=O)N c5129583a52947012a202d95a8c46721 [0,2,0,0,0,0|1,0,1]=4 12084 B13R0.54 C/C=C\CCCOCCCCC(=O)O 2ee1c80b18b32317e4b393df39cc47c1 [0,2,0,0,0,0|0,0,1]=3 12085 B13R0.54 C/C=C\CCCOCCOCC(=O)O 494127904e6eab03409606304da419aa [0,2,0,0,0,0|0,0,2]=4 12086 B13R0.54 C/C=C\CNCCCCCCC(=O)O 746387ed1dc496b85deb198c8f936d6c [0,2,0,0,0,0|0,0,1]=3 12087 B13R0.54 C/C=C\COCCCCCCC(=O)N 209d3611405f2ed350d85bfbe6f66529 [0,2,0,0,0,0|1,0,1]=4 12088 B13R0.54 C/C=C\COCCCCCCC(=O)O 7d02958141bdebac75f333c4f98ade73 [0,2,0,0,0,0|0,0,1]=3 12089 B13R0.54 C=C(Br)CCOCCCCCCCC d0b8eb3cb7f5eb7d9111228c87e8f22a [0,2,0,0,0,0|2,0,0]=4 12090 B13R0.54 C=C(Br)CCOCCCCCCOC 09a55056f92fe6fd863aa5c8d9fe5f2f [0,2,0,0,0,0|2,0,0]=4 12091 B13R0.54 C=C(Br)CNCCCCCCCCC 80e2ab2e93c219514a7f3afa550f0735 [0,2,0,0,0,0|2,0,0]=4 12092 B13R0.54 C=C(Br)CNCCCCCCCCO bf165afe6ec498ef09fa318265c35bc7 [0,2,0,0,0,0|2,0,0]=4 12093 B13R0.54 C=C(Br)COCCCCCCCCC 88978bdbdc99ddca5e308e76ff7ee46d [0,2,0,0,0,0|2,0,0]=4 12094 B13R0.54 C=C(Br)COCCCOCCCCC fadae4ce15aab81e3eb023e647e4631e [0,2,0,0,0,0|2,0,0]=4 12095 B13R0.54 C=C(Br)COCCOCCCCCC 4c76126e0aa28f5a027afcbc64b468ab [0,2,0,0,0,0|2,0,0]=4 12096 B13R0.54 C=C(C)CCCNCCCCCCC b49c31c7a4cd125664dc95b04ba17e43 [0,2,0,0,0,0|2,0,0]=4 12097 B13R0.54 C=C(C)CCCNCCCCCCCl bfa0a885dce580b428c3b4bf2136c058 [0,2,0,0,0,0|2,0,0]=4 12098 B13R0.54 C=C(C)CCCNCCCCCCO bd2ce3d0f9f1dae5ead28ba6c728e2b0 [0,2,0,0,0,0|2,0,0]=4 12099 B13R0.54 C=C(C)CCCNCCCCCOC 2478af26c8eae8d2a6c6845c242e863d [0,2,0,0,0,0|2,0,0]=4 12100 B13R0.54 C=C(C)CCCNCCCCSCC 48a7a8268b647b96de4265c4614025cf [0,2,0,0,0,0|2,0,0]=4 12101 B13R0.54 C=C(C)CCCNCCCOCCC 395c975bf33f8c74ae2740e3ad477b3c [0,2,0,0,0,0|2,0,0]=4 12102 B13R0.54 C=C(C)CCCNCCOCCCC 4f778c8d5bae0f56998d4869c6812bca [0,2,0,0,0,0|2,0,0]=4 12103 B13R0.54 C=C(C)CCCOCCCCCCC 2bc6cb08a83111347e2ed020ead700e8 [0,2,0,0,0,0|2,0,0]=4 12104 B13R0.54 C=C(C)CCCOCCCCCCF 97016eb8165e773ea0752cea38e28c81 [0,2,0,0,0,0|2,0,0]=4 12105 B13R0.54 C=C(C)CCCOCCCCCCS c9aa6a0446a4d8adc67ae56f1f78de5b [0,2,0,0,0,0|2,0,0]=4 12106 B13R0.54 C=C(C)CCCOCCCCCOC 1525d67af76a026f3a96722ee5020867 [0,2,0,0,0,0|2,0,0]=4 12107 B13R0.54 C=C(C)CCCOCCCOCCC ba8c4da1df73b90a4eb9211a1367f859 [0,2,0,0,0,0|2,0,0]=4 12108 B13R0.54 C=C(C)CCCOCCOCCCC 3b1fbc8de80b99d961414af875e2539c [0,2,0,0,0,0|2,0,0]=4 12109 B13R0.54 C=C(C)CCCOCCSCCCC c19bd12b33e5dabe1e18759691a76fed [0,2,0,0,0,0|2,0,0]=4 12110 B13R0.54 C=C(C)CCNCCCCCCCC c176ff9320afb8727cb895b1f5afab2a [0,2,0,0,0,0|2,0,0]=4 12111 B13R0.54 C=C(C)CCNCCCCCCCO 3e7063f96e3c9c36998e0e3570b14964 [0,2,0,0,0,0|2,0,0]=4 12112 B13R0.54 C=C(C)CCNCCCCCCOC 84d6d0bf58f9cb9ba9fd430f99d66a50 [0,2,0,0,0,0|2,0,0]=4 12113 B13R0.54 C=C(C)CCNCCCCSCCC 6566236fe282e33a5717090af6656884 [0,2,0,0,0,0|2,0,0]=4 12114 B13R0.54 C=C(C)CCNCCCOCCCC fbd903bcfc0763caa5b10603e30360ca [0,2,0,0,0,0|2,0,0]=4 12115 B13R0.54 C=C(C)CCOCCCCCCCC f0354db8afe22515eaccdc9be57175e0 [0,2,0,0,0,0|2,0,0]=4 12116 B13R0.54 C=C(C)CCOCCCCCCOC 5c9daaa0f6eeff3e26839fe7d087a1dd [0,2,0,0,0,0|2,0,0]=4 12117 B13R0.54 C=C(C)CCOCCCOCCCC 096d68cb3c115898edd711dbd0d3ac05 [0,2,0,0,0,0|2,0,0]=4 12118 B13R0.54 C=C(C)CCOCCOCCCCC bfa917ec26cd0d870d7f5131685b4871 [0,2,0,0,0,0|2,0,0]=4 12119 B13R0.54 C=C(C)CNCCCCCCCCC 1374f1ed680a1ac12ebed8f9b8df24e6 [0,2,0,0,0,0|2,0,0]=4 12120 B13R0.54 C=C(C)CNCCCCCCCCO ba5f463d43d32acb0fd0e853f682d12a [0,2,0,0,0,0|2,0,0]=4 12121 B13R0.54 C=C(C)COCCCCCCCCC 4bdb00db0e85eb62457054641061e57b [0,2,0,0,0,0|2,0,0]=4 12122 B13R0.54 C=C(C)COCCCOCCCCC 802f8fd2e35c5dc1ba5b425a405ce667 [0,2,0,0,0,0|2,0,0]=4 12123 B13R0.54 C=C(C)COCCOCCCCCC f52752608014a7b7054d8e4c1a932b06 [0,2,0,0,0,0|2,0,0]=4 12124 B13R0.54 C=C(Cl)CNCCCCCCCCC 663aa3c19e9a2566d80c76229f16ed2e [0,2,0,0,0,0|2,0,0]=4 12125 B13R0.54 C=C(Cl)CNCCCCCCCCO b72da756282d23ad3e132ce9e4d9efb1 [0,2,0,0,0,0|2,0,0]=4 12126 B13R0.54 C=C(Cl)COCCCCCCCCC 25fb5259ca9f299fe669174635155d11 [0,2,0,0,0,0|2,0,0]=4 12127 B13R0.54 C=C(Cl)COCCCOCCCCC cf9c85438defc681ca029261bc199d6e [0,2,0,0,0,0|2,0,0]=4 12128 B13R0.54 C=C(Cl)COCCOCCCCCC 93ad4fb9dd9f7398482d59d10607bad1 [0,2,0,0,0,0|2,0,0]=4 12129 B13R0.54 C=C(F)CNCCCCCCCCC 73ae0cf0695ea10ee5a2c8a7fca2726e [0,2,0,0,0,0|2,0,0]=4 12130 B13R0.54 C=C(F)CNCCCCCCCCO 4eeabfe29650eb9260c787f476453e76 [0,2,0,0,0,0|2,0,0]=4 12131 B13R0.54 C=C(F)COCCCCCCCCC 431fc2aae2b15490768003783b9a40f7 [0,2,0,0,0,0|2,0,0]=4 12132 B13R0.54 C=C(F)COCCOCCCCCC 7f5cefebea4b76aa43183769213b587b [0,2,0,0,0,0|2,0,0]=4 12133 B13R0.54 C=C(I)COCCCCCCCCC 83797545e8c2a037863bac01b1d93d01 [0,2,0,0,0,0|2,0,0]=4 12134 B13R0.54 C=C=CCCOCCCCCC(=O)O c26988884a8f5d3911f91e87eb5acd2f [0,2,0,0,0,0|0,0,2]=4 12135 B13R0.54 C=CCCCCCCCNCC(=O)C 545bff833443d8cf106768ee532bb92a [0,2,0,0,0,0|1,0,1]=4 12136 B13R0.54 C=CCCCCCCCNCC(=O)N 484cc53a71ebae8fe605b629f15c10ca [0,2,0,0,0,0|1,0,1]=4 12137 B13R0.54 C=CCCCCCCCNCC(=O)O 89ecb943c5e46a2395ce72e8595a174a [0,2,0,0,0,0|0,0,1]=3 12138 B13R0.54 C=CCCCCCCCOCC(=O)C 4c6e91316291f2a5dcea50d5033b2094 [0,2,0,0,0,0|1,0,1]=4 12139 B13R0.54 C=CCCCCCCCOCC(=O)N 88d34f8ea328a9c0e7a36e4bc8409f2f [0,2,0,0,0,0|1,0,1]=4 12140 B13R0.54 C=CCCCCCCCOCC(=O)O 29d0d836162cb0d473d31b710e38c872 [0,2,0,0,0,0|0,0,1]=3 12141 B13R0.54 C=CCCCCCCCOCS(=O)O db960a5042669c57594b2d4a94a210ba [0,2,0,0,0,0|1,0,1]=4 12142 B13R0.54 C=CCCCCCCNCCC(=O)N b6ebb1992d9185a806f0be232da92fee [0,2,0,0,0,0|1,0,1]=4 12143 B13R0.54 C=CCCCCCCNCCC(=O)O 40623d0077825348c0acbdef29bd7a28 [0,2,0,0,0,0|0,0,1]=3 12144 B13R0.54 C=CCCCCCCNCCS(=O)O 3a4240b7f0ea776557851d93a4264768 [0,2,0,0,0,0|1,0,1]=4 12145 B13R0.54 C=CCCCCCCOCCC(=O)C a7cd3e93286e1035ee67c53623164255 [0,2,0,0,0,0|1,0,1]=4 12146 B13R0.54 C=CCCCCCCOCCC(=O)N 2e5d3196af8aff50b20407ff58d14879 [0,2,0,0,0,0|1,0,1]=4 12147 B13R0.54 C=CCCCCCCOCCC(=O)O f28e5e2984412a3153b6cbaeb74269d1 [0,2,0,0,0,0|0,0,1]=3 12148 B13R0.54 C=CCCCCCNCCCC(=O)C bd70f539ddf94838d494465449a58d95 [0,2,0,0,0,0|1,0,1]=4 12149 B13R0.54 C=CCCCCCNCCCC(=O)N 6438e11716db446a99bdcbb172691692 [0,2,0,0,0,0|1,0,1]=4 12150 B13R0.54 C=CCCCCCNCCCC(=O)O d02685caf2f6305309caa6d70249f28c [0,2,0,0,0,0|0,0,1]=3 12151 B13R0.54 C=CCCCCCOCCCC(=O)C e8038af0193989a4e5469530300ae29f [0,2,0,0,0,0|1,0,1]=4 12152 B13R0.54 C=CCCCCCOCCCC(=O)N 397f6a480d287132cb5d319e524c07da [0,2,0,0,0,0|1,0,1]=4 12153 B13R0.54 C=CCCCCCOCCCC(=O)O 250535328e53089233094a7909168d69 [0,2,0,0,0,0|0,0,1]=3 12154 B13R0.54 C=CCCCCNCCCCC(=O)C d41d908c5727f21ad0fde431ab0fdca4 [0,2,0,0,0,0|1,0,1]=4 12155 B13R0.54 C=CCCCCNCCCCC(=O)N d2df9e9108eaa0b58b227b74520afe75 [0,2,0,0,0,0|1,0,1]=4 12156 B13R0.54 C=CCCCCNCCCCC(=O)O 0dda6b33e26e17e1292ffb365cdbe7cb [0,2,0,0,0,0|0,0,1]=3 12157 B13R0.54 C=CCCCCNCCOCC(=O)O 29fb24990d3cfb7cd760c2f0bb847285 [0,2,0,0,0,0|0,0,2]=4 12158 B13R0.54 C=CCCCCNCCSCC(=O)O 8929348e394044293c50f8be6dc116fa [0,2,0,0,0,0|0,0,2]=4 12159 B13R0.54 C=CCCCCOCCCCC(=O)C b7640ebdd39609d711d1f37ebddf0d3f [0,2,0,0,0,0|1,0,1]=4 12160 B13R0.54 C=CCCCCOCCCCC(=O)N ff2e6abba11e823aee5f3eb7df62c824 [0,2,0,0,0,0|1,0,1]=4 12161 B13R0.54 C=CCCCCOCCCCC(=O)O 48799189ed07b5cf7b72e7b6dfb57ce3 [0,2,0,0,0,0|0,0,1]=3 12162 B13R0.54 C=CCCCCOCCOCC(=O)O f129e4e4ac3a0fe054beb9698f973023 [0,2,0,0,0,0|0,0,2]=4 12163 B13R0.54 C=CCCCNCCCCCC(=O)C 85ff35d6ebaac4d36f6ffa8a5ccc1d2b [0,2,0,0,0,0|1,0,1]=4 12164 B13R0.54 C=CCCCNCCCCCC(=O)N 9012ea4113784c1a2ced8ac3b2646f1d [0,2,0,0,0,0|1,0,1]=4 12165 B13R0.54 C=CCCCNCCCCCC(=O)O 672b7c0d8ade97823be382372cb6cdfa [0,2,0,0,0,0|0,0,1]=3 12166 B13R0.54 C=CCCCNCCCOCC(=O)O c25cd92789bc55958c2581bc69951bae [0,2,0,0,0,0|0,0,2]=4 12167 B13R0.54 C=CCCCNCCOCCC(=O)O 45915f6438aca35421e4f5b5bbfffcdd [0,2,0,0,0,0|0,0,2]=4 12168 B13R0.54 C=CCCCOCCCCCC(=O)C ce546ea4a433f3f1e14d7595f9bbabdc [0,2,0,0,0,0|1,0,1]=4 12169 B13R0.54 C=CCCCOCCCCCC(=O)N 4aaa6e30f51e3b95c4e654f2f5de0994 [0,2,0,0,0,0|1,0,1]=4 12170 B13R0.54 C=CCCCOCCCCCC(=O)O a172201e2e685bcece0174cb22dd0aba [0,2,0,0,0,0|0,0,1]=3 12171 B13R0.54 C=CCCCOCCCOCC(=O)O f59938cac07ac01704884089322f5c95 [0,2,0,0,0,0|0,0,2]=4 12172 B13R0.54 C=CCCCOCCOCCC(=O)O 06c98236024bf6f7346e6ac15903960e [0,2,0,0,0,0|0,0,2]=4 12173 B13R0.54 C=CCCNCCCCCCC(=O)O 4b64da873e0496e5022b9553ef8bd047 [0,2,0,0,0,0|0,0,1]=3 12174 B13R0.54 C=CCCOCCCCCCC(=O)N 0291c2bc38ffd3af1df31d9ea7d60e51 [0,2,0,0,0,0|1,0,1]=4 12175 B13R0.54 C=CCCOCCCCCCC(=O)O 8a421b669e136c9660708ebc2e71b5da [0,2,0,0,0,0|0,0,1]=3 12176 B13R0.54 C=CCNCCCCCCCC(=O)O e1c861637e69d8155b0c93afce7c4c8b [0,2,0,0,0,0|0,0,1]=3 12177 B13R0.54 C=CCNCCOCCCCC(=O)O 2ebcca9c77fe21211feacc9681596663 [0,2,0,0,0,0|0,0,2]=4 12178 B13R0.54 C=CCOCCCCCCCC(=O)C 3b011472d920385421ba5f95aab907e1 [0,2,0,0,0,0|1,0,1]=4 12179 B13R0.54 C=CCOCCCCCCCC(=O)O 1d53c51dbb0b7cdf1abeae577cc1bc5b [0,2,0,0,0,0|0,0,1]=3 12180 B13R0.54 C=CCOCCNCCCCC(=O)O 21e33d181e86b423f3a49e5a886a70f0 [0,2,0,0,0,0|0,0,2]=4 12181 B13R0.54 C=CCOCCOCCCCC(=O)O c2023a8c67bfa6366a318cdad8a2fffe [0,2,0,0,0,0|0,0,2]=4 12182 B13R0.54 C=COCCCCOCCCC(=O)O 07a094fa6e8871cc9025d414a5db5919 [0,2,0,0,0,0|0,0,2]=4 12183 B13R0.54 C=COCCCNCCCCC(=O)O 69a2781a390a4aacd7c66c1ab15a5922 [0,2,0,0,0,0|0,0,2]=4 12184 B13R0.54 C=COCCNCCCCCC(=O)O bf20a5871bced85d1fdd6672ccf2a2cc [0,2,0,0,0,0|0,0,2]=4 12185 B13R0.54 C=COCCOCCCCCC(=O)O a9757b0542364d291ffd68cc42b21afa [0,2,0,0,0,0|0,0,2]=4 12186 B13R0.54 CC#CCCCOCCCCC(=O)C 77362a0ca39eee7b361538ee64c77dc9 [0,2,0,0,0,0|1,0,1]=4 12187 B13R0.54 CC#CCCCOCCCCC(=O)N e578f3d1bf8ab0b769e2bfd08654ca03 [0,2,0,0,0,0|1,0,1]=4 12188 B13R0.54 CC#CCCCOCCCCC(=O)O 0ac88bfb4ea142cb8a1be6263de3f018 [0,2,0,0,0,0|0,0,1]=3 12189 B13R0.54 CC#CCCCOCCOCC(=O)O 799148cf9752bd63b074d4369759529f [0,2,0,0,0,0|0,0,2]=4 12190 B13R0.54 CC#CCCOCCCCCC(=O)C ae18822bd0624b974e0577985366fa4e [0,2,0,0,0,0|1,0,1]=4 12191 B13R0.54 CC#CCCOCCCCCC(=O)N 415dfd811133a995231b9d7b6e42e9cf [0,2,0,0,0,0|1,0,1]=4 12192 B13R0.54 CC#CCCOCCCCCC(=O)O 96ae3644ba241d2aa2c4949207664ca8 [0,2,0,0,0,0|0,0,1]=3 12193 B13R0.54 CC#CCCOCCCOCC(=O)O c85652829ec4e1867d31f9d20e8928fc [0,2,0,0,0,0|0,0,2]=4 12194 B13R0.54 CC#CCCOCCOCCC(=O)O 43d737f13c971242e92ac15509b074ab [0,2,0,0,0,0|0,0,2]=4 12195 B13R0.54 CC(=O)CCCCCCCOCC#N acf98f1d829b30b9a6497d8c4bf3ffdc [0,2,0,0,0,0|1,0,1]=4 12196 B13R0.54 CC(=O)CCCCCCCOCC=O e7ecb1321db70e6701f0a62908149d4c [0,2,0,0,0,0|1,0,1]=4 12197 B13R0.54 CC(=O)CCCCCCCOCCF 0b02fec05f6eb1c5249a789aaae52226 [0,2,0,0,0,0|1,0,0]=3 12198 B13R0.54 CC(=O)CCCCCCCOCCS cb87d8c9044423a17c7149433cc7d27e [0,2,0,0,0,0|1,0,0]=3 12199 B13R0.54 CC(=O)CCCCCNCCCC#N 73a8aab766d568428280a7562c2e8579 [0,2,0,0,0,0|1,0,1]=4 12200 B13R0.54 CC(=O)CCCCCNCCCCCl 374d3c63f86c7acc0cc7893991208b73 [0,2,0,0,0,0|1,0,0]=3 12201 B13R0.54 CC(=O)CCCCCNCCCCO 4d60cdc40b76582982726bb145a143b1 [0,2,0,0,0,0|1,0,0]=3 12202 B13R0.54 CC(=O)CCCCCNCCCCS 58975febf88502229045906b808ac4e7 [0,2,0,0,0,0|1,0,0]=3 12203 B13R0.54 CC(=O)CCCCCOCCCC#N 1d9741dcc0f9af706ec9c64e6d240bf0 [0,2,0,0,0,0|1,0,1]=4 12204 B13R0.54 CC(=O)CCCCCOCCCC=O 9f0e023a846e514ca117cae96e63bdf5 [0,2,0,0,0,0|1,0,1]=4 12205 B13R0.54 CC(=O)CCCCCOCCCCF a7de39bf0565d289f812706657442cef [0,2,0,0,0,0|1,0,0]=3 12206 B13R0.54 CC(=O)CCCCCOCCCCS cc54e88488744d800d02d15afb9f44f3 [0,2,0,0,0,0|1,0,0]=3 12207 B13R0.54 CC(=O)CCCCNCCCCC#N c1d89a14dc6895a93e782c18afb433a8 [0,2,0,0,0,0|1,0,1]=4 12208 B13R0.54 CC(=O)CCCCNCCCCCCl 5d3f3cad28f14c8e2ec6fe01e3175ad3 [0,2,0,0,0,0|1,0,0]=3 12209 B13R0.54 CC(=O)CCCCNCCCCCO 558889bf3f9684c877ff036cfbcbdc93 [0,2,0,0,0,0|1,0,0]=3 12210 B13R0.54 CC(=O)CCCCNCCOCCO b10373ecac4d4bf931ec55ac29a90649 [0,2,0,0,0,0|2,0,0]=4 12211 B13R0.54 CC(=O)CCCCNCCOCCS efca73549d0edf78a520d3fafff7f0fe [0,2,0,0,0,0|2,0,0]=4 12212 B13R0.54 CC(=O)CCCCNCCSCCO 8a565a8f4ac4887818408f795af696e0 [0,2,0,0,0,0|2,0,0]=4 12213 B13R0.54 CC(=O)CCCCOCCCCC#N 47dd46cfbbab4554e1a1e2869767eff2 [0,2,0,0,0,0|1,0,1]=4 12214 B13R0.54 CC(=O)CCCCOCCCCC=O 48667e937dcfec950b71cf152e1f551d [0,2,0,0,0,0|1,0,1]=4 12215 B13R0.54 CC(=O)CCCCOCCCCCF 4ff3794d638ca6b794cdffaf076b64bd [0,2,0,0,0,0|1,0,0]=3 12216 B13R0.54 CC(=O)CCCCOCCOCCF 66ebc2570917f94bda8fc9c49eb8fa1f [0,2,0,0,0,0|2,0,0]=4 12217 B13R0.54 CC(=O)CCCCOCCOCCS 77aa7108c71ef4fc99d1d66553e0deb4 [0,2,0,0,0,0|2,0,0]=4 12218 B13R0.54 CC(=O)CCCNCCCCCC#N 26550879827d2da2e603fdb90394a59e [0,2,0,0,0,0|1,0,1]=4 12219 B13R0.54 CC(=O)CCCNCCCCCCCl 7d47e77488461f2efe359e3945ae1088 [0,2,0,0,0,0|1,0,0]=3 12220 B13R0.54 CC(=O)CCCNCCCCCCO 1d073efa3c5bf9a3b895c419affdd0bf [0,2,0,0,0,0|1,0,0]=3 12221 B13R0.54 CC(=O)CCCNCCCOCCO eed5e6c4dfaad022dbb708a483a99cd7 [0,2,0,0,0,0|2,0,0]=4 12222 B13R0.54 CC(=O)CCCNCCOCCCO 33bfae3c78e8032e64606291894dd160 [0,2,0,0,0,0|2,0,0]=4 12223 B13R0.54 CC(=O)CCCOCCCCCC#N 58e9b03fd50af9a6b68c3728f42c21a2 [0,2,0,0,0,0|1,0,1]=4 12224 B13R0.54 CC(=O)CCCOCCCCCC=O 5158a9073d77d77ecd06ab809bed4431 [0,2,0,0,0,0|1,0,1]=4 12225 B13R0.54 CC(=O)CCCOCCCCCCF 1754a02a1b0880cb94534c2e30740de5 [0,2,0,0,0,0|1,0,0]=3 12226 B13R0.54 CC(=O)CCCOCCCCCCS 18b0bc0b1581f87605bdb1117e75bf39 [0,2,0,0,0,0|1,0,0]=3 12227 B13R0.54 CC(=O)CCNCCCCCCCO 36a3254de8214bffcc27ce1cb64b8787 [0,2,0,0,0,0|1,0,0]=3 12228 B13R0.54 CC(=O)CCNCCCCSCCO c167766d21c3ace93ec64b2a3e39e417 [0,2,0,0,0,0|2,0,0]=4 12229 B13R0.54 CC(=O)CCNCCCOCCCO 99b34ed89d60492429f045e7425b5f36 [0,2,0,0,0,0|2,0,0]=4 12230 B13R0.54 CC(=O)CCOCCCCCCC#N b3b4309304a9fb11a93e12e5c6eaa6b8 [0,2,0,0,0,0|1,0,1]=4 12231 B13R0.54 CC(=O)CCOCCCCCCC=O 410ff14da906325a441de34ecf71ce9b [0,2,0,0,0,0|1,0,1]=4 12232 B13R0.54 CC(=O)CNCCCCCCCCO 410d29eb4622e7d0b78c036d759687e3 [0,2,0,0,0,0|1,0,0]=3 12233 B13R0.54 CC(=O)NCCCCCCCCCO 1769feeef07c9f0d37d9586138bc5ab2 [0,2,0,0,0,0|1,0,0]=3 12234 B13R0.54 CC(=O)NCCCCCCNCCF f05993dc160bc913fe8c08a4c08631ce [0,2,0,0,0,0|2,0,0]=4 12235 B13R0.54 CC(=O)NCCCCCCNCCO 3404d325f56d11f298f8168b56ecf066 [0,2,0,0,0,0|2,0,0]=4 12236 B13R0.54 CC(=O)NCCCCCCNCCS 13c5d88b1ea624efd2440b526f176a9c [0,2,0,0,0,0|2,0,0]=4 12237 B13R0.54 CC(=O)NCCCCCNCCCF 96bc7a109dc304a03120e181acbd7110 [0,2,0,0,0,0|2,0,0]=4 12238 B13R0.54 CC(=O)NCCCCCNCCCO 28689bb241c735ae6e26319440f59b83 [0,2,0,0,0,0|2,0,0]=4 12239 B13R0.54 CC(=O)NCCCCCNCCCS 0bbdd309df350ce57f12c020eea46e77 [0,2,0,0,0,0|2,0,0]=4 12240 B13R0.54 CC(=O)NCCCCNCCCCF 2ae11a320a4c9b6a8c7fc06f61af7624 [0,2,0,0,0,0|2,0,0]=4 12241 B13R0.54 CC(=O)NCCCCNCCCCO 005580057017b85db356563aa5cda87c [0,2,0,0,0,0|2,0,0]=4 12242 B13R0.54 CC(=O)NCCCNCCCCCCl db16dcb745282d5603f957f6b6e42bdb [0,2,0,0,0,0|2,0,0]=4 12243 B13R0.54 CC(=O)NCCCNCCCCCF 4526bfcb3c737ef68d1dceb7196ef27c [0,2,0,0,0,0|2,0,0]=4 12244 B13R0.54 CC(=O)NCCCNCCCCCO 56840760dca29a739c6c7ffe41d9998f [0,2,0,0,0,0|2,0,0]=4 12245 B13R0.54 CC(=O)NCCCOCCCCCF 28e9720db5e1b59237f5cb54daaddf70 [0,2,0,0,0,0|2,0,0]=4 12246 B13R0.54 CC(=O)NCCNCCCCCCCl 60ccf3588e408d29a959de7b81346451 [0,2,0,0,0,0|2,0,0]=4 12247 B13R0.54 CC(=O)NCCNCCCCCCF 2027737ab3137f959ad48818e84553ad [0,2,0,0,0,0|2,0,0]=4 12248 B13R0.54 CC(=O)NCCNCCCCCCO 6dea39b13b0208832aeaed561d86b461 [0,2,0,0,0,0|2,0,0]=4 12249 B13R0.54 CC(=O)NCCOCCCCCCF e05bf9441770eca045a8ad2ce0c7b48a [0,2,0,0,0,0|2,0,0]=4 12250 B13R0.54 CC(=O)NCCOCCCCCCS 5105566c8653a710b5f1358e5c7f82cd [0,2,0,0,0,0|2,0,0]=4 12251 B13R0.54 CC(=O)OCCCCCCNCCBr f8dc00868362381ffa0c3c438b740b5b [0,2,0,0,0,0|2,0,0]=4 12252 B13R0.54 CC(=O)OCCCCCCNCCF 2ee35a60e90a1b344ea95de2a8985014 [0,2,0,0,0,0|2,0,0]=4 12253 B13R0.54 CC(=O)OCCCCCCNCCI f5738eea11ee0dccf1fe843a8eba6f2c [0,2,0,0,0,0|2,0,0]=4 12254 B13R0.54 CC(=O)OCCCCCCNCCO 4a41db6488f3a75557840c2f7e9686bb [0,2,0,0,0,0|2,0,0]=4 12255 B13R0.54 CC(=O)OCCCCCCNCCS 4b1ab6dc3196b0b6e29e08100ff2a38a [0,2,0,0,0,0|2,0,0]=4 12256 B13R0.54 CC(=O)OCCCCCCOCCF 7686e135f31c4d1e3844f61df1fb5021 [0,2,0,0,0,0|2,0,0]=4 12257 B13R0.54 CC(=O)OCCCCCCOCCS bec0039cc0f9df4f5d954c0ee82ea761 [0,2,0,0,0,0|2,0,0]=4 12258 B13R0.54 CC(=O)OCCCCCNCCCCl 7d225ce140de2109181dd92189c40fa2 [0,2,0,0,0,0|2,0,0]=4 12259 B13R0.54 CC(=O)OCCCCCNCCCO 404cff92847f3d891ae5be7656351bf1 [0,2,0,0,0,0|2,0,0]=4 12260 B13R0.54 CC(=O)OCCCCCOCCCF 96c5523b4a78f9032cc295b2ddb73568 [0,2,0,0,0,0|2,0,0]=4 12261 B13R0.54 CC(=O)OCCCCCOCCCS 824e33208eda63b25c5bcee6896aaa4d [0,2,0,0,0,0|2,0,0]=4 12262 B13R0.54 CC(=O)OCCCCNCCCCCl e0dc9edd8ea855ad6a02b1ab8544af18 [0,2,0,0,0,0|2,0,0]=4 12263 B13R0.54 CC(=O)OCCCCNCCCCO e55cfba6d1e5796b21559537f0da977f [0,2,0,0,0,0|2,0,0]=4 12264 B13R0.54 CC(=O)OCCCCNCCCCS 7e951a041f60acc9d4fd2b21573f8c77 [0,2,0,0,0,0|2,0,0]=4 12265 B13R0.54 CC(=O)OCCCCOCCCCF 1b5ff1720f1fb3a905b10387d2775868 [0,2,0,0,0,0|2,0,0]=4 12266 B13R0.54 CC(=O)OCCCCOCCCCS 031c35c29b6fd058e1f76e4b1bc01d21 [0,2,0,0,0,0|2,0,0]=4 12267 B13R0.54 CC(=O)OCCCNCCCCCCl dfc1793131f6d4ad49101235b262dd42 [0,2,0,0,0,0|2,0,0]=4 12268 B13R0.54 CC(=O)OCCCNCCCCCO cc79acffc812fcfd11f44c63de5b4f30 [0,2,0,0,0,0|2,0,0]=4 12269 B13R0.54 CC(=O)OCCCOCCCCCF ee987ac223b507baf2f248a9e3d7d668 [0,2,0,0,0,0|2,0,0]=4 12270 B13R0.54 CC(=O)OCCNCCCCCCCl cdf03c2763eb952a5d910988dd2efb4f [0,2,0,0,0,0|2,0,0]=4 12271 B13R0.54 CC(=O)OCCNCCCCCCO 6c22da9897ae66df9490e7c0e9a35095 [0,2,0,0,0,0|2,0,0]=4 12272 B13R0.54 CC(=O)OCCOCCCCCCF f9d974555af7870dc7d09fe2357b20cb [0,2,0,0,0,0|2,0,0]=4 12273 B13R0.54 CC(=O)OCCOCCCCCCS 4e13c3a8814315aab01f489f92ae9b4c [0,2,0,0,0,0|2,0,0]=4 12274 B13R0.54 CC(=O)OCNCCCCCCCO 1116524e17aa35af0b2700b2c92c781f [0,2,0,0,0,0|2,0,0]=4 12275 B13R0.54 CC(=O)SCCCCNCCCCCl 939d83fcbf1620070903578b7cfb38c1 [0,2,0,0,0,0|2,0,0]=4 12276 B13R0.54 CC(=O)SCCCCNCCCCO d213c6dfab86d34d974f1c7d0e24e490 [0,2,0,0,0,0|2,0,0]=4 12277 B13R0.54 CC(=O)SCCCCNCCCCS 70d490b9a2b1eddf7921c440b28ec5c1 [0,2,0,0,0,0|2,0,0]=4 12278 B13R0.54 CC(=O)SCCCCOCCCCF 7d794a5fc87d80e0a0356d73592e8abe [0,2,0,0,0,0|2,0,0]=4 12279 B13R0.54 CC(=O)SCCCCOCCCCS 7186336e63bf4a3b8dfd7bedf9c44478 [0,2,0,0,0,0|2,0,0]=4 12280 B13R0.54 CC(=O)SCCCNCCCCCCl 7b6db2b2098a2d61f47696ed05553bec [0,2,0,0,0,0|2,0,0]=4 12281 B13R0.54 CC(=O)SCCCNCCCCCO 23dae5db18e942d817e948040e52e0f4 [0,2,0,0,0,0|2,0,0]=4 12282 B13R0.54 CC(=O)SCCCOCCCCCF 338afc1ed28cb22ee6bbe7ae93bfc998 [0,2,0,0,0,0|2,0,0]=4 12283 B13R0.54 CC(=O)SCCNCCCCCCCl 37df726f1e51ff40c9fa7df085590b1d [0,2,0,0,0,0|2,0,0]=4 12284 B13R0.54 CC(=O)SCCNCCCCCCO 4205413e47e3078460d264217537116c [0,2,0,0,0,0|2,0,0]=4 12285 B13R0.54 CC(=O)SCCOCCCCCCF 4f93710e5e226172db801759c60d47a2 [0,2,0,0,0,0|2,0,0]=4 12286 B13R0.54 CC(=O)SCCOCCCCCCS 5e97ef29a9bcc90df91025b48ee2bf08 [0,2,0,0,0,0|2,0,0]=4 12287 B13R0.54 CC(O)CCCCNCCCCCCl bdde5c4385884c6195a46b4738824f1d [0,2,0,0,0,0|1,0,1]=4 12288 B13R0.54 CC(O)CCCCNCCCCCO 39200f08686ba1ef8e10b59aebc1b1dd [0,2,0,0,0,0|1,0,1]=4 12289 B13R0.54 CC(O)CCCNCCCCCCCl 5092e777df7e87f6ee8f84ee0a2a4587 [0,2,0,0,0,0|1,0,1]=4 12290 B13R0.54 CC(O)CCCNCCCCCCO 568479c9cdcba2e0acb6b04d6c673e04 [0,2,0,0,0,0|1,0,1]=4 12291 B13R0.54 CC(O)CCNCCCCCCCO a2691130f855cc5dd9a372930929b190 [0,2,0,0,0,0|1,0,1]=4 12292 B13R0.54 CC(O)CNCCCCCCCCO 0a3ac505f7047cf615bf8bd2dbdfb323 [0,2,0,0,0,0|1,0,1]=4 12293 B13R0.54 CC/C=C/CCOCCCCC(=O)C 958818d1624543f92a9a4221774b6fdd [0,2,0,0,0,0|1,0,1]=4 12294 B13R0.54 CC/C=C/CCOCCCCC(=O)N 11e0a4d629a5082ac4c765bd928ea85c [0,2,0,0,0,0|1,0,1]=4 12295 B13R0.54 CC/C=C/CCOCCCCC(=O)O 6d3d6a530a590bb98b8b985c3d329dba [0,2,0,0,0,0|0,0,1]=3 12296 B13R0.54 CC/C=C/CCOCCOCC(=O)O 9e447daf1d020228913a8d3722f2bbf4 [0,2,0,0,0,0|0,0,2]=4 12297 B13R0.54 CC/C=C/CNCCCCCC(=O)N d32ba1481eb1637aafc28ef2d7c167b9 [0,2,0,0,0,0|1,0,1]=4 12298 B13R0.54 CC/C=C/CNCCCCCC(=O)O f3a76b6f8f5eb73bab5a261a215c62a1 [0,2,0,0,0,0|0,0,1]=3 12299 B13R0.54 CC/C=C/CNCCOCCC(=O)O 3939ae0c18bc1d01257d8030fd1cb266 [0,2,0,0,0,0|0,0,2]=4 12300 B13R0.54 CC/C=C/COCCCCCC(=O)C 5b4983684b974105549b0b8639b53c62 [0,2,0,0,0,0|1,0,1]=4 12301 B13R0.54 CC/C=C/COCCCCCC(=O)N db0db38c63924ea51a8b2f5b07b8275a [0,2,0,0,0,0|1,0,1]=4 12302 B13R0.54 CC/C=C/COCCCCCC(=O)O e53ba57e13ffbabc3cb94781f552de6f [0,2,0,0,0,0|0,0,1]=3 12303 B13R0.54 CC/C=C/COCCCOCC(=O)O 687f688bdfd0592acead070a6c298587 [0,2,0,0,0,0|0,0,2]=4 12304 B13R0.54 CC/C=C/COCCOCCC(=O)O 68abbee4c21442239a58e340b812ca92 [0,2,0,0,0,0|0,0,2]=4 12305 B13R0.54 CC/C=C\CCCCCNCC(=O)C 63f528784a07915d74ba37e16599f30e [0,2,0,0,0,0|1,0,1]=4 12306 B13R0.54 CC/C=C\CCCCCNCC(=O)N fc2cde7bbfae759cb99a9dd7716416d5 [0,2,0,0,0,0|1,0,1]=4 12307 B13R0.54 CC/C=C\CCCCCNCC(=O)O 6970fcb35a9ad7d0b1f79aa5b3314374 [0,2,0,0,0,0|0,0,1]=3 12308 B13R0.54 CC/C=C\CCCCCOCC(=O)C 44397a14773825992019615b71bfcff8 [0,2,0,0,0,0|1,0,1]=4 12309 B13R0.54 CC/C=C\CCCCCOCC(=O)N 578876483725a73caeb5e69e22241329 [0,2,0,0,0,0|1,0,1]=4 12310 B13R0.54 CC/C=C\CCCCCOCC(=O)O 1c3ce20294b4b21a884a0f400a64fd83 [0,2,0,0,0,0|0,0,1]=3 12311 B13R0.54 CC/C=C\CCCCCOCS(=O)O d93713bc94ff050e9919b3aa62121265 [0,2,0,0,0,0|1,0,1]=4 12312 B13R0.54 CC/C=C\CCCCOCCC(=O)C 915360da4ba396b7931619752998c7ef [0,2,0,0,0,0|1,0,1]=4 12313 B13R0.54 CC/C=C\CCCCOCCC(=O)N 6bc924b6b65602e4694dce9261589ed9 [0,2,0,0,0,0|1,0,1]=4 12314 B13R0.54 CC/C=C\CCCCOCCC(=O)O 113e77814231b52d4e9f580cb476c1f4 [0,2,0,0,0,0|0,0,1]=3 12315 B13R0.54 CC/C=C\CCCOCCCC(=O)C 5fced1c9760dcc272ccd33d603cbe2f3 [0,2,0,0,0,0|1,0,1]=4 12316 B13R0.54 CC/C=C\CCCOCCCC(=O)N fea494ca7b4fa1b571d9d9095949d2bd [0,2,0,0,0,0|1,0,1]=4 12317 B13R0.54 CC/C=C\CCCOCCCC(=O)O ad051ae1a4ba5e186fffa276ddb3e182 [0,2,0,0,0,0|0,0,1]=3 12318 B13R0.54 CC/C=C\CCNCCCCC(=O)N ac816137cebf30021c42e00ac90d5ffa [0,2,0,0,0,0|1,0,1]=4 12319 B13R0.54 CC/C=C\CCNCCCCC(=O)O dc066c102f17a0e79c5237f7386df4da [0,2,0,0,0,0|0,0,1]=3 12320 B13R0.54 CC/C=C\CCNCCOCC(=O)O 96f52de824d6a259ece72f0d234e46d6 [0,2,0,0,0,0|0,0,2]=4 12321 B13R0.54 CC/C=C\CCNCCSCC(=O)O 5721c32e653cdf5efbe87e1865a0fff1 [0,2,0,0,0,0|0,0,2]=4 12322 B13R0.54 CC/C=C\CCOCCCCC(=O)C c95bc83526e4ab454b898f3654e61c32 [0,2,0,0,0,0|1,0,1]=4 12323 B13R0.54 CC/C=C\CCOCCCCC(=O)N 04d1473ae7cdadbf614e8c47e2590f39 [0,2,0,0,0,0|1,0,1]=4 12324 B13R0.54 CC/C=C\CCOCCCCC(=O)O 887b9d860e90e9902a329caae3dabff7 [0,2,0,0,0,0|0,0,1]=3 12325 B13R0.54 CC/C=C\CCOCCOCC(=O)O 0cd3fb78d614469a97b969ae62f70801 [0,2,0,0,0,0|0,0,2]=4 12326 B13R0.54 CC/C=C\COCCCCCC(=O)C 1991df2c034028ffacbf9a2f2d71ef45 [0,2,0,0,0,0|1,0,1]=4 12327 B13R0.54 CC/C=C\COCCCCCC(=O)N df09315222ff759eebe4f16409804988 [0,2,0,0,0,0|1,0,1]=4 12328 B13R0.54 CC/C=C\COCCCCCC(=O)O 2c671f635485e786afedf29ffacbc910 [0,2,0,0,0,0|0,0,1]=3 12329 B13R0.54 CC/C=C\COCCCOCC(=O)O eb97a94ce222519925650290d79bc407 [0,2,0,0,0,0|0,0,2]=4 12330 B13R0.54 CC/C=C\COCCOCCC(=O)O 470050ac48fa83445249850362b68c14 [0,2,0,0,0,0|0,0,2]=4 12331 B13R0.54 CC=C=CCCOCCCCC(=O)O 8cf087323c02becfeae828bd3ff68c85 [0,2,0,0,0,0|0,0,2]=4 12332 B13R0.54 CC=CCCCOCCCCC(=O)C afaecc912ad1a96ce41075ec2c2002a5 [0,2,0,0,0,0|1,0,1]=4 12333 B13R0.54 CC=CCCCOCCCCC(=O)N 5f034e1a5367e17457749d1cd1f305e5 [0,2,0,0,0,0|1,0,1]=4 12334 B13R0.54 CC=CCCCOCCCCC(=O)O 75744128779cf2bd5126d08d11808890 [0,2,0,0,0,0|0,0,1]=3 12335 B13R0.54 CC=CCCCOCCOCC(=O)O bfc061a66866c1db251c04d68914d5bc [0,2,0,0,0,0|0,0,2]=4 12336 B13R0.54 CC=CCNCCCCCCC(=O)O 2a39a2940e1b7a067b86a22e5ee4155c [0,2,0,0,0,0|0,0,1]=3 12337 B13R0.54 CC=CCOCCCCCCC(=O)O 7153ef49f8943ae33521c665cfa1dbc6 [0,2,0,0,0,0|0,0,1]=3 12338 B13R0.54 CCC#CCCOCCCCC(=O)C d21f29c90ec135f291816e37c1896627 [0,2,0,0,0,0|1,0,1]=4 12339 B13R0.54 CCC#CCCOCCCCC(=O)N 9f862422d94e765539928b1691bd0cc0 [0,2,0,0,0,0|1,0,1]=4 12340 B13R0.54 CCC#CCCOCCOCC(=O)O 8ac4fcdfaebe00eb8d09f8571198e757 [0,2,0,0,0,0|0,0,2]=4 12341 B13R0.54 CCC#CCOCCCCCC(=O)C 73740b02d0783aedfd96cfa88d83eeff [0,2,0,0,0,0|1,0,1]=4 12342 B13R0.54 CCC#CCOCCCCCC(=O)N 46ba37c96c09fd380c5732325bd67c73 [0,2,0,0,0,0|1,0,1]=4 12343 B13R0.54 CCC#CCOCCOCCC(=O)O 9f8d4c0472a1fbf9f1b3ee1441958876 [0,2,0,0,0,0|0,0,2]=4 12344 B13R0.54 CCC/C=C/CCCOCCC(=O)C 5522639ed2e8d1ef58058fc03ee67cda [0,2,0,0,0,0|1,0,1]=4 12345 B13R0.54 CCC/C=C/CCCOCCC(=O)N e89d5c391780eededa42d5be195c2403 [0,2,0,0,0,0|1,0,1]=4 12346 B13R0.54 CCC/C=C/CCCOCCC(=O)O 9788170cd9cb8105b2d548fcee88acd2 [0,2,0,0,0,0|0,0,1]=3 12347 B13R0.54 CCC/C=C/CNCCCCC(=O)N ba5d9c244f45ce3e38b19e98999b511d [0,2,0,0,0,0|1,0,1]=4 12348 B13R0.54 CCC/C=C/CNCCCCC(=O)O 5cf41cc34648b7970a6ee8157cddd689 [0,2,0,0,0,0|0,0,1]=3 12349 B13R0.54 CCC/C=C/CNCCOCC(=O)O 983820a6d2943c04469072b0008da1ad [0,2,0,0,0,0|0,0,2]=4 12350 B13R0.54 CCC/C=C/CNCCSCC(=O)O 0a2d9ddd7878f1178c96e86bfc1b7123 [0,2,0,0,0,0|0,0,2]=4 12351 B13R0.54 CCC/C=C/COCCCCC(=O)C ff5e19fb8f4edbb1e94d50617aa98c08 [0,2,0,0,0,0|1,0,1]=4 12352 B13R0.54 CCC/C=C/COCCCCC(=O)N 6e407e8dab9fb75bd123e3bf710b7350 [0,2,0,0,0,0|1,0,1]=4 12353 B13R0.54 CCC/C=C/COCCCCC(=O)O 387ec8d2ac53a3f8017ce2dbc5b94924 [0,2,0,0,0,0|0,0,1]=3 12354 B13R0.54 CCC/C=C/COCCOCC(=O)O 9961c16ff7b842af0817f462af905415 [0,2,0,0,0,0|0,0,2]=4 12355 B13R0.54 CCC/C=C\CCCOCCC(=O)C d51775749d388f363d2ec581ba2615e1 [0,2,0,0,0,0|1,0,1]=4 12356 B13R0.54 CCC/C=C\CCCOCCC(=O)N 2eb88ffbc8f4ca53aded1375f1f625a7 [0,2,0,0,0,0|1,0,1]=4 12357 B13R0.54 CCC/C=C\CCCOCCC(=O)O 20e9df654923a0e5bb30aca6f7195a9d [0,2,0,0,0,0|0,0,1]=3 12358 B13R0.54 CCC/C=C\CCOCCCC(=O)C f7e90fcb869a714f3cfda84fbf823c08 [0,2,0,0,0,0|1,0,1]=4 12359 B13R0.54 CCC/C=C\CCOCCCC(=O)N 426b574b285ddc16839ea24fa3d5936e [0,2,0,0,0,0|1,0,1]=4 12360 B13R0.54 CCC/C=C\CCOCCCC(=O)O 4a1e5d3eaa9fc1b5071e6eea92a118bd [0,2,0,0,0,0|0,0,1]=3 12361 B13R0.54 CCC/C=C\CNCCCCC(=O)N 2bb5bd1e10566ca702db0478f4f6c492 [0,2,0,0,0,0|1,0,1]=4 12362 B13R0.54 CCC/C=C\CNCCCCC(=O)O f61cde7e19bd8037ff1d58a8c007d08d [0,2,0,0,0,0|0,0,1]=3 12363 B13R0.54 CCC/C=C\CNCCOCC(=O)O ced942841eba7c17eabc802255a9a279 [0,2,0,0,0,0|0,0,2]=4 12364 B13R0.54 CCC/C=C\CNCCSCC(=O)O 5265190d9e91805c66c76acaa9eb8464 [0,2,0,0,0,0|0,0,2]=4 12365 B13R0.54 CCC/C=C\COCCCCC(=O)C fe98eea7026b8beee5cb45d3ad78d895 [0,2,0,0,0,0|1,0,1]=4 12366 B13R0.54 CCC/C=C\COCCCCC(=O)N bf2b410145ce6d7ee3101ea469c22125 [0,2,0,0,0,0|1,0,1]=4 12367 B13R0.54 CCC/C=C\COCCCCC(=O)O 46ea672ec13152d776215df7caacb78c [0,2,0,0,0,0|0,0,1]=3 12368 B13R0.54 CCC/C=C\COCCOCC(=O)O 136a925a7df75f88dd9a09eb3a2ca443 [0,2,0,0,0,0|0,0,2]=4 12369 B13R0.54 CCC=CCCCCCOCC(=O)N 5f8e179b50d642c968b156a8193596c3 [0,2,0,0,0,0|1,0,1]=4 12370 B13R0.54 CCC=CCCCCCOCC(=O)O d369b199e9ceb9fc141a2db00430726c [0,2,0,0,0,0|0,0,1]=3 12371 B13R0.54 CCCC#CCCOCCCC(=O)C 2e7e48c6d8e9ddcda6fc0030c4ec3926 [0,2,0,0,0,0|1,0,1]=4 12372 B13R0.54 CCCC#CCCOCCCC(=O)N 5d11467b5378725fa6ed6720ba276bdb [0,2,0,0,0,0|1,0,1]=4 12373 B13R0.54 CCCC#CCOCCCCC(=O)C 3b947b29ab6c6395fdc14fb79754d069 [0,2,0,0,0,0|1,0,1]=4 12374 B13R0.54 CCCC#CCOCCCCC(=O)N 7344707cbe3fcd751794ec8f4e00751e [0,2,0,0,0,0|1,0,1]=4 12375 B13R0.54 CCCC#CCOCCOCC(=O)O f0726190a107b5f8e73026f5cc09e3fa [0,2,0,0,0,0|0,0,2]=4 12376 B13R0.54 CCCC/C=C/CNCCCC(=O)N 30e52d361d6aa8fa4f2008a4cc6e6632 [0,2,0,0,0,0|1,0,1]=4 12377 B13R0.54 CCCC/C=C/CNCCCC(=O)O 558fe8d013d2e6b1a754f39a14f4e75d [0,2,0,0,0,0|0,0,1]=3 12378 B13R0.54 CCCC/C=C/COCCCC(=O)C d91cbe9f21ae60241ee5491e931d8a8b [0,2,0,0,0,0|1,0,1]=4 12379 B13R0.54 CCCC/C=C/COCCCC(=O)N d0d75455e8bcf6011b1ad0f2bf4f9483 [0,2,0,0,0,0|1,0,1]=4 12380 B13R0.54 CCCC/C=C/COCCCC(=O)O c0b63a4dff12f093b0ec0dc4952c4afc [0,2,0,0,0,0|0,0,1]=3 12381 B13R0.54 CCCC/C=C\CCOCCC(=O)C d4b5649a972ab12e6a956d5f46573023 [0,2,0,0,0,0|1,0,1]=4 12382 B13R0.54 CCCC/C=C\CCOCCC(=O)N d10fefd440455605c32deb65216e7abf [0,2,0,0,0,0|1,0,1]=4 12383 B13R0.54 CCCC/C=C\CCOCCC(=O)O b99319d2e069eca3088378ebab3bb1d2 [0,2,0,0,0,0|0,0,1]=3 12384 B13R0.54 CCCC/C=C\CNCCCC(=O)N 2e4b9361a2a26a8c03d6039a9708ac26 [0,2,0,0,0,0|1,0,1]=4 12385 B13R0.54 CCCC/C=C\CNCCCC(=O)O 4d4349cd1a4396a45c1ac755db5904cc [0,2,0,0,0,0|0,0,1]=3 12386 B13R0.54 CCCC/C=C\COCCCC(=O)C 9b6545f956dc2800949468e70205ed7c [0,2,0,0,0,0|1,0,1]=4 12387 B13R0.54 CCCC/C=C\COCCCC(=O)N 73aa33a565d13daff958dbb4dba4deb7 [0,2,0,0,0,0|1,0,1]=4 12388 B13R0.54 CCCC=C=CCCOCCC(=O)O b85d1b1e8403470bf13c1e4aaf064b2f [0,2,0,0,0,0|0,0,2]=4 12389 B13R0.54 CCCCC#CCCOCCC(=O)C 741e9593a4dd3a9261d1a7818ad299b1 [0,2,0,0,0,0|1,0,1]=4 12390 B13R0.54 CCCCC#CCCOCCC(=O)N e3a775e49af129786e4879b5ba799816 [0,2,0,0,0,0|1,0,1]=4 12391 B13R0.54 CCCCC#CCCOCCC(=O)O 27211291ced0c752cfe1a0b9333baf09 [0,2,0,0,0,0|0,0,1]=3 12392 B13R0.54 CCCCC#CCOCCCC(=O)C 1601c14d7075b0f106a75c335d688cd8 [0,2,0,0,0,0|1,0,1]=4 12393 B13R0.54 CCCCC#CCOCCCC(=O)N b94d4689e958a0142881dc97af08d191 [0,2,0,0,0,0|1,0,1]=4 12394 B13R0.54 CCCCC/C=C/COCCC(=O)C 6ba6ce23301cf82b51224b8e42a576d4 [0,2,0,0,0,0|1,0,1]=4 12395 B13R0.54 CCCCC/C=C/COCCC(=O)N 534aae556c1f5c7275bf341729587f7b [0,2,0,0,0,0|1,0,1]=4 12396 B13R0.54 CCCCC/C=C/COCCC(=O)O d26b82f38640278b72665f4dea52a96c [0,2,0,0,0,0|0,0,1]=3 12397 B13R0.54 CCCCC/C=C\CCOCC(=O)N 1fe6bc66936281a359af3421070bb58f [0,2,0,0,0,0|1,0,1]=4 12398 B13R0.54 CCCCC/C=C\CCOCC(=O)O 70806fdb3cd8687f3b5665a05e9c2866 [0,2,0,0,0,0|0,0,1]=3 12399 B13R0.54 CCCCCC#CCCOCC(=O)N 08231c4d9711ac735173427dfd6bebf8 [0,2,0,0,0,0|1,0,1]=4 12400 B13R0.54 CCCCCC#CCCOCC(=O)O 96f97e2c36d15d577b60d2b476d1a816 [0,2,0,0,0,0|0,0,1]=3 12401 B13R0.54 CCCCCC#CCOCCC(=O)C 3d7d661fd0e9c03a5fd79c2256ced69e [0,2,0,0,0,0|1,0,1]=4 12402 B13R0.54 CCCCCC#CCOCCC(=O)N 6497ad0072d7a8870308762efa2756c2 [0,2,0,0,0,0|1,0,1]=4 12403 B13R0.54 CCCCCC/C=C/COCC(=O)N a12cc3cd506822e1b4805ff673528fae [0,2,0,0,0,0|1,0,1]=4 12404 B13R0.54 CCCCCC/C=C/COCC(=O)O 8749175e10107f2d0748cca44a19eba7 [0,2,0,0,0,0|0,0,1]=3 12405 B13R0.54 CCCCCC/C=C\COCC(=O)N 4e64683a0897a994b127876b26ce40c3 [0,2,0,0,0,0|1,0,1]=4 12406 B13R0.54 CCCCCC/C=C\COCC(=O)O b43d81507cf544a6318fcb6637edf341 [0,2,0,0,0,0|0,0,1]=3 12407 B13R0.54 CCCCCCC#CCOCC(=O)N e25d893426af1b0bd0f9577631de5b3e [0,2,0,0,0,0|1,0,1]=4 12408 B13R0.54 CCCCCCC#CCOCC(=O)O 8809cee8f82332af42793ea948355dd6 [0,2,0,0,0,0|0,0,1]=3 12409 B13R0.54 CCCCCCCCCCNC(=O)C ed95f9130e5c1d438dc2bde1ac386ec4 [0,2,0,0,0,0|1,0,0]=3 12410 B13R0.54 CCCCCCCCCNCC(=O)C 3f74c4af83600c7fae7ed85d0783b199 [0,2,0,0,0,0|1,0,0]=3 12411 B13R0.54 CCCCCCCCCNCC(=O)N 184ef72ca90023b932725f8bf929e218 [0,2,0,0,0,0|1,0,0]=3 12412 B13R0.54 CCCCCCCCCNCC(=O)O 7fe37e42f1bd61b43c93a56a2716301b [0,2,0,0,0,0|0,0,0]=2 12413 B13R0.54 CCCCCCCCCNCC(C)O c5a0775d7b7b66281f42f9ba56f5415b [0,2,0,0,0,0|1,0,1]=4 12414 B13R0.54 CCCCCCCCCNC[C@@H](C)O 6ec7abd6d608d81636bbba805d13c84c [0,2,0,0,0,0|1,0,1]=4 12415 B13R0.54 CCCCCCCCCNC[C@H](C)O 63bfa8073f054426a4043bd7fc680aae [0,2,0,0,0,0|1,0,1]=4 12416 B13R0.54 CCCCCCCCCNC[N+](=O)[O-] ad2ff9e3aa65cbcbd4a568325f8e9879 [0,2,0,0,0,0|1,0,1]=4 12417 B13R0.54 CCCCCCCCCOCC(=O)C 6c9d4c4f0dd4344668e5f3c5c0ead5b5 [0,2,0,0,0,0|1,0,0]=3 12418 B13R0.54 CCCCCCCCCOCC(=O)N 85990bdde733dbd7de516d63fb43b002 [0,2,0,0,0,0|1,0,0]=3 12419 B13R0.54 CCCCCCCCCOCC(=O)O b5ad244415d15ef7380ec5f81e97882f [0,2,0,0,0,0|0,0,0]=2 12420 B13R0.54 CCCCCCCCCOCC(=S)N bdc0e22267464dbbca7435eecb72a884 [0,2,0,0,0,0|1,1,0]=4 12421 B13R0.54 CCCCCCCCCOCS(=O)O 8b5c6e8cea51f4475fcbbf1631dfc443 [0,2,0,0,0,0|1,0,0]=3 12422 B13R0.54 CCCCCCCCCOC[N+](=O)[O-] d7b13e97ddcfd0c16e94e1805a5ae427 [0,2,0,0,0,0|1,0,1]=4 12423 B13R0.54 CCCCCCCCNC/C=C(/C)\I 31e7931041996a8579b2ed6f75bbbe8b [0,2,0,0,0,0|2,0,0]=4 12424 B13R0.54 CCCCCCCCNC/C=C(\C)/Cl 34d27655e289864777403a19e687d9a4 [0,2,0,0,0,0|2,0,0]=4 12425 B13R0.54 CCCCCCCCNCC=C(C)C b0929898f2b6dbc777a821a9f44b4625 [0,2,0,0,0,0|2,0,0]=4 12426 B13R0.54 CCCCCCCCNCC=C(C)Cl 74a0ac469775f41602e9fabeef0abb98 [0,2,0,0,0,0|2,0,0]=4 12427 B13R0.54 CCCCCCCCNCC=C(C)I 3dc90c4971cc1d8f85e9edb3ba0bea8d [0,2,0,0,0,0|2,0,0]=4 12428 B13R0.54 CCCCCCCCNCC=C(Cl)Cl 2611e911631d6fcc5a4b6ce9650f098c [0,2,0,0,0,0|2,0,0]=4 12429 B13R0.54 CCCCCCCCNCCC(=O)C c195e11627f02a38d9c6793105c5db8b [0,2,0,0,0,0|1,0,0]=3 12430 B13R0.54 CCCCCCCCNCCC(=O)N f82fb49ebecb4ee92281712c2386a221 [0,2,0,0,0,0|1,0,0]=3 12431 B13R0.54 CCCCCCCCNCCC(=O)O f70b1cba9d4621f79ec6f5b876443aca [0,2,0,0,0,0|0,0,0]=2 12432 B13R0.54 CCCCCCCCNCCC(=S)N 585acf65ab3bb8f9c3d3b28cc7e3d28b [0,2,0,0,0,0|1,1,0]=4 12433 B13R0.54 CCCCCCCCNCCC(C)O 944a3cb796afd02a2e5aee68c0a8a5ef [0,2,0,0,0,0|1,0,1]=4 12434 B13R0.54 CCCCCCCCNCCS(=O)C 923f6a6983b32c5deabfd127e4dcee3b [0,2,0,0,0,0|2,0,0]=4 12435 B13R0.54 CCCCCCCCNCCS(=O)O 51fbfb4066ecfea1ac3ed400a30a2380 [0,2,0,0,0,0|1,0,0]=3 12436 B13R0.54 CCCCCCCCNCC[C@@H](C)O 8ff14f92e600951e00fd7af7b9816057 [0,2,0,0,0,0|1,0,1]=4 12437 B13R0.54 CCCCCCCCNCC[C@H](C)O 97963810abe967d373c657742e7cb74c [0,2,0,0,0,0|1,0,1]=4 12438 B13R0.54 CCCCCCCCNCOC(=O)C 580af45d74b8709f8b2d99a1aa5491d8 [0,2,0,0,0,0|1,0,0]=3 12439 B13R0.54 CCCCCCCCNCSC(=O)N 34911e7aa5812177bfc96f14b702b07b [0,2,0,0,0,0|1,0,0]=3 12440 B13R0.54 CCCCCCCCOC/C=C(/C)\Cl 65d9a51acbe239838953f24e8dcae3a6 [0,2,0,0,0,0|2,0,0]=4 12441 B13R0.54 CCCCCCCCOC/C=C(/C)\I b78fa3a2366e1a5303b9e7c2bfdf0f01 [0,2,0,0,0,0|2,0,0]=4 12442 B13R0.54 CCCCCCCCOC/C=C(\C)/Cl 3bdbc436d091681bb39efe4107915275 [0,2,0,0,0,0|2,0,0]=4 12443 B13R0.54 CCCCCCCCOCC=C(C)C df0d8da40a7b800008c264e52f56445f [0,2,0,0,0,0|2,0,0]=4 12444 B13R0.54 CCCCCCCCOCC=C(C)Cl 7cdc59889269df631939178653127fca [0,2,0,0,0,0|2,0,0]=4 12445 B13R0.54 CCCCCCCCOCC=C(C)I 3fe4381b27ef3932e940c26e081d90a8 [0,2,0,0,0,0|2,0,0]=4 12446 B13R0.54 CCCCCCCCOCC=C(Cl)Cl e23c9448aff7fc2d94d47383a27799d9 [0,2,0,0,0,0|2,0,0]=4 12447 B13R0.54 CCCCCCCCOCCC(=O)C b648a732a6e47faa10e6a5e888f34cd7 [0,2,0,0,0,0|1,0,0]=3 12448 B13R0.54 CCCCCCCCOCCC(=O)N 328e113f447c55f1b3d9b34a248750bd [0,2,0,0,0,0|1,0,0]=3 12449 B13R0.54 CCCCCCCCOCCC(=O)O 4eb12bac98ba83059c97d141773c2d2d [0,2,0,0,0,0|0,0,0]=2 12450 B13R0.54 CCCCCCCCOCCS(=O)C 591d31ab8a41d35f904ba3729c5b4746 [0,2,0,0,0,0|2,0,0]=4 12451 B13R0.54 CCCCCCCCOCC[N+](=O)[O-] 9c775eeaa8d78dc2d90a7ce65893fb72 [0,2,0,0,0,0|1,0,1]=4 12452 B13R0.54 CCCCCCCCOCNC(=O)C aa24c300c3dfe3ecef3f7bc6b1cf5970 [0,2,0,0,0,0|1,0,0]=3 12453 B13R0.54 CCCCCCCCOCNC(=O)N a56330335cb8c5bed420e54b083b1eb9 [0,2,0,0,0,0|1,0,0]=3 12454 B13R0.54 CCCCCCCCOCOC(=O)C 55d7f77de24a2ded8bc1a52efe1b67d7 [0,2,0,0,0,0|1,0,0]=3 12455 B13R0.54 CCCCCCCCOCSC(=O)N 8d6cf7bb841460f89e826c47f87ac947 [0,2,0,0,0,0|1,0,0]=3 12456 B13R0.54 CCCCCCCNC/C=C/C(=O)O 29509cdb7b3fc998e458f82b95659b1a [0,2,0,0,0,0|0,0,1]=3 12457 B13R0.54 CCCCCCCNCC#CC(=O)N 54fb063653739bf0975375acc711b4ed [0,2,0,0,0,0|1,0,1]=4 12458 B13R0.54 CCCCCCCNCC#CC(=O)O 750d669804d10758356582454277e43c [0,2,0,0,0,0|0,0,1]=3 12459 B13R0.54 CCCCCCCNCC=CC(=O)O 126a853a91bee149c65b545de2cfba1d [0,2,0,0,0,0|0,0,1]=3 12460 B13R0.54 CCCCCCCNCCC=C(C)C d1a4e74a5bca88bfc26ec3b3fc360bef [0,2,0,0,0,0|2,0,0]=4 12461 B13R0.54 CCCCCCCNCCC=C(F)F 29d3d36475b9e7d94d1b6fc459d4906b [0,2,0,0,0,0|2,0,0]=4 12462 B13R0.54 CCCCCCCNCCCC(=O)C 491bba76c380093f60a1dd7fbaf4c20c [0,2,0,0,0,0|1,0,0]=3 12463 B13R0.54 CCCCCCCNCCCC(=O)N c0d76f302902290c22c41cc07893c606 [0,2,0,0,0,0|1,0,0]=3 12464 B13R0.54 CCCCCCCNCCCC(=O)O fac3238cc1739210a7b8513266477d8d [0,2,0,0,0,0|0,0,0]=2 12465 B13R0.54 CCCCCCCNCCCC(C)O 2afc79ee2d11e08362bec750f0e2a38d [0,2,0,0,0,0|1,0,1]=4 12466 B13R0.54 CCCCCCCNCCCS(=O)C 745a0464840f150445ba6d263e1b148a [0,2,0,0,0,0|2,0,0]=4 12467 B13R0.54 CCCCCCCNCCC[N+](=O)[O-] 9c4a72cf84ffb5fe6612ae68e74cd9be [0,2,0,0,0,0|1,0,1]=4 12468 B13R0.54 CCCCCCCNCCNC(=O)C 5f12c454ef15915c1bede42efdffb5fa [0,2,0,0,0,0|1,0,0]=3 12469 B13R0.54 CCCCCCCNCCNC(=O)N 19e83ce35040e6ffb103e77c28da4f2c [0,2,0,0,0,0|1,0,0]=3 12470 B13R0.54 CCCCCCCNCCNC(=S)N 65979ca8a980274c0454675db3a9c7e6 [0,2,0,0,0,0|1,1,0]=4 12471 B13R0.54 CCCCCCCNCCOC(=O)C bdc13754d0e8ce371c7e55d9bed81269 [0,2,0,0,0,0|1,0,0]=3 12472 B13R0.54 CCCCCCCNCCSC(=O)C 4fcbcf5db520bc07379faabd546f0d83 [0,2,0,0,0,0|1,0,0]=3 12473 B13R0.54 CCCCCCCOC/C=C/C(=O)O 7e59a4246093eb5291d19990e7730f52 [0,2,0,0,0,0|0,0,1]=3 12474 B13R0.54 CCCCCCCOCC#CC(=O)O dcb489c1a4dc6975535c31570473c0a0 [0,2,0,0,0,0|0,0,1]=3 12475 B13R0.54 CCCCCCCOCC=CC(=O)O 956ce20d3bcd87d892383257e880bf5c [0,2,0,0,0,0|0,0,1]=3 12476 B13R0.54 CCCCCCCOCCC=C(C)C 07c0ec0c48512a874a1dcebdf0426b27 [0,2,0,0,0,0|2,0,0]=4 12477 B13R0.54 CCCCCCCOCCC=C(F)F 00f7fe68e0305d4833333f3b2d3d7d89 [0,2,0,0,0,0|2,0,0]=4 12478 B13R0.54 CCCCCCCOCCCC(=O)C 1d78b36816e67733fd925179c4336856 [0,2,0,0,0,0|1,0,0]=3 12479 B13R0.54 CCCCCCCOCCCC(=O)N 06dd49ab648cc3e0d6a4033d47ef547c [0,2,0,0,0,0|1,0,0]=3 12480 B13R0.54 CCCCCCCOCCC[N+](=O)[O-] 0214b14bfec0fee969fbebd1e7fcf2ff [0,2,0,0,0,0|1,0,1]=4 12481 B13R0.54 CCCCCCCOCCNC(=O)C b9f04837b306dd3ee71fb51d1d9a3241 [0,2,0,0,0,0|1,0,0]=3 12482 B13R0.54 CCCCCCCOCCNC(=O)N a96f306970d35dae5104abff539360ea [0,2,0,0,0,0|1,0,0]=3 12483 B13R0.54 CCCCCCCOCCNC(=S)N 519e9d1238aecfd7ed12762235fecad6 [0,2,0,0,0,0|1,1,0]=4 12484 B13R0.54 CCCCCCCOCCOC(=O)C bb87360532d81fa3f479112c5c4a5ae2 [0,2,0,0,0,0|1,0,0]=3 12485 B13R0.54 CCCCCCCOCCSC(=O)C b6bbf44286b1538e20655f38073697e1 [0,2,0,0,0,0|1,0,0]=3 12486 B13R0.54 CCCCCCNCCCCC(=O)C 6798a138451fee38b400d4d3b7174009 [0,2,0,0,0,0|1,0,0]=3 12487 B13R0.54 CCCCCCNCCCCC(=O)N b375ff056cf5dac9012a04f5279ab96b [0,2,0,0,0,0|1,0,0]=3 12488 B13R0.54 CCCCCCNCCCCC(=O)O e445001a0390334d700bc8760810bdaf [0,2,0,0,0,0|0,0,0]=2 12489 B13R0.54 CCCCCCNCCCCC(C)O 01f89e27e7f3d6b6bbea487768007fdd [0,2,0,0,0,0|1,0,1]=4 12490 B13R0.54 CCCCCCNCCCC[C@@H](C)O 8a79a56ce35293400e8fac0cbf96dab8 [0,2,0,0,0,0|1,0,1]=4 12491 B13R0.54 CCCCCCNCCCNC(=O)C 957560084a2e214934659df59cd7836d [0,2,0,0,0,0|1,0,0]=3 12492 B13R0.54 CCCCCCNCCCOC(=O)C a7ad73b762399526ddcad6fcf3aed7fc [0,2,0,0,0,0|1,0,0]=3 12493 B13R0.54 CCCCCCNCCCOC(=S)C 303ee5eb3f40b6002a837d24854a6937 [0,2,0,0,0,0|1,1,0]=4 12494 B13R0.54 CCCCCCNCCCSC(=O)C 64e47aa7609891de9c327a95d22807bd [0,2,0,0,0,0|1,0,0]=3 12495 B13R0.54 CCCCCCNCCOCC(=O)N 41e3367cbc831c23de2b38dc8a0a5fe1 [0,2,0,0,0,0|1,0,0]=3 12496 B13R0.54 CCCCCCNCCOCC(=O)O 7827f3e5e0ba885f24cc5448e6327eb1 [0,2,0,0,0,0|0,0,0]=2 12497 B13R0.54 CCCCCCOCCC#CC(=O)O 03891e654a7b1de3cfff73df48cda08b [0,2,0,0,0,0|0,0,1]=3 12498 B13R0.54 CCCCCCOCCCCC(=O)C db3ee6778980af86ea5eaf4d8c063ddd [0,2,0,0,0,0|1,0,0]=3 12499 B13R0.54 CCCCCCOCCCCC(=O)N 4d1a53e6c019f77966cc609af340ee94 [0,2,0,0,0,0|1,0,0]=3 12500 B13R0.54 CCCCCCOCCCCC(=O)O 2f8c57ac0872fb5b3975b9fd6011999d [0,2,0,0,0,0|0,0,0]=2 12501 B13R0.54 CCCCCCOCCCC[N+](=O)[O-] 12a26154f650eefece2f1a52cd098893 [0,2,0,0,0,0|1,0,1]=4 12502 B13R0.54 CCCCCCOCCCNC(=O)C b1f153d4ddc145644c13ca3b954866db [0,2,0,0,0,0|1,0,0]=3 12503 B13R0.54 CCCCCCOCCCOC(=O)C 95be72f61fcccab7740efbc6a5da9d07 [0,2,0,0,0,0|1,0,0]=3 12504 B13R0.54 CCCCCCOCCCOC(=S)C 129eed735784cb20477d6a129c9566ca [0,2,0,0,0,0|1,1,0]=4 12505 B13R0.54 CCCCCCOCCCO[N+](=O)[O-] 07cc44154fd5972c5c00cdc76bfa0adc [0,2,0,0,0,0|1,0,1]=4 12506 B13R0.54 CCCCCCOCCCSC(=O)C 12c9fc3dd33f021576f6bd931eb13ec4 [0,2,0,0,0,0|1,0,0]=3 12507 B13R0.54 CCCCCCOCCOCC(=O)N ca00e3f7c7eeaf7d0f7584708256ada7 [0,2,0,0,0,0|1,0,0]=3 12508 B13R0.54 CCCCCCOCCOCC(=O)O 02c79f045b4217964a028e24a1820c5d [0,2,0,0,0,0|0,0,0]=2 12509 B13R0.54 CCCCCCOCCOC[N+](=O)[O-] be6a6aa68ed030c696c4d3d220fb7bc1 [0,2,0,0,0,0|1,0,1]=4 12510 B13R0.54 CCCCCCOCCSCC(=O)N 9cbd75f05f0138ae1caa9ea05026fcbb [0,2,0,0,0,0|1,0,0]=3 12511 B13R0.54 CCCCCNCCCCCC(=O)C beb17b4c460d76e0ac587606197bf765 [0,2,0,0,0,0|1,0,0]=3 12512 B13R0.54 CCCCCNCCCCCC(=O)N da7aa79d49b22729b7456334f4800d8f [0,2,0,0,0,0|1,0,0]=3 12513 B13R0.54 CCCCCNCCCCCC(=O)O 2d45a8d9a3ca6b3d45a505049c07c00b [0,2,0,0,0,0|0,0,0]=2 12514 B13R0.54 CCCCCNCCCCNC(=O)C 2ae907e8a52575d754c528b181a52626 [0,2,0,0,0,0|1,0,0]=3 12515 B13R0.54 CCCCCNCCCCOC(=O)C 6a59cbb3648a9daf244c84e50733e83b [0,2,0,0,0,0|1,0,0]=3 12516 B13R0.54 CCCCCNCCCCSC(=O)C 1da9849c6da7c60f5693163c363fb093 [0,2,0,0,0,0|1,0,0]=3 12517 B13R0.54 CCCCCNCCCOCC(=O)O cbe8e5ae61905fa711263a6a8bcaa551 [0,2,0,0,0,0|0,0,0]=2 12518 B13R0.54 CCCCCNCCOCCC(=O)O c30a19889f0ad86d0f13d8348915b149 [0,2,0,0,0,0|0,0,0]=2 12519 B13R0.54 CCCCCNCOCCOC(=O)C 0ca35c8b1badf32a3ccc5192e33356f4 [0,2,0,0,0,0|2,0,0]=4 12520 B13R0.54 CCCCCOCCCCCC(=O)C e73cd3916c33ca240e68781b5ab42f84 [0,2,0,0,0,0|1,0,0]=3 12521 B13R0.54 CCCCCOCCCCCC(=O)N 12d56d6f9e2dd926844f1c4a23427b9d [0,2,0,0,0,0|1,0,0]=3 12522 B13R0.54 CCCCCOCCCCCC(=O)O 73594829d7b138694f1246f54efc0dcb [0,2,0,0,0,0|0,0,0]=2 12523 B13R0.54 CCCCCOCCCCOC(=O)C 9884c3154adcc30bd4b7e4cbfef809aa [0,2,0,0,0,0|1,0,0]=3 12524 B13R0.54 CCCCCOCCCCSC(=O)C fabd16d8c6607961386d14551eabd8d7 [0,2,0,0,0,0|1,0,0]=3 12525 B13R0.54 CCCCCOCCCOCC(=O)N f8dc8734976f20ab69c6fc0c1d87da90 [0,2,0,0,0,0|1,0,0]=3 12526 B13R0.54 CCCCCOCCCOCC(=O)O f7c9adee31a23ee516e6fc70d19aed3b [0,2,0,0,0,0|0,0,0]=2 12527 B13R0.54 CCCCCOCCCOCC(=S)N bd4a459bde31cb4eeb4a8c757ff5d980 [0,2,0,0,0,0|1,1,0]=4 12528 B13R0.54 CCCCCOCCCOC[N+](=O)[O-] 0d7af07a7d0091972a9a1485d63bd9c8 [0,2,0,0,0,0|1,0,1]=4 12529 B13R0.54 CCCCCOCCOCCC(=O)C 4d553cd3eb9de2f43cd521d63d801584 [0,2,0,0,0,0|1,0,0]=3 12530 B13R0.54 CCCCCOCCOCCC(=O)N f232cbbc9426f9cf6ef137d775010ac7 [0,2,0,0,0,0|1,0,0]=3 12531 B13R0.54 CCCCCOCCOCCC(=O)O 34d2a4e77de6ce10ab9c0ae1578557d7 [0,2,0,0,0,0|0,0,0]=2 12532 B13R0.54 CCCCCOCCOCCS(=O)C 3d263cae4da8a5f72e59b492334b2e91 [0,2,0,0,0,0|2,0,0]=4 12533 B13R0.54 CCCCCOCCOCOC(=O)C be4db02fa7e25188e48ccc37858c2501 [0,2,0,0,0,0|2,0,0]=4 12534 B13R0.54 CCCCCOCCOCSC(=O)N da5046f7b0a5d8c26663dc64bdef685b [0,2,0,0,0,0|2,0,0]=4 12535 B13R0.54 CCCCCOCOCCOC(=O)C a77dda9688a334cdf45e05979b644143 [0,2,0,0,0,0|2,0,0]=4 12536 B13R0.54 CCCCNCCCCCCC(=O)O c941cf8f4857351872a191e2efe59613 [0,2,0,0,0,0|0,0,0]=2 12537 B13R0.54 CCCCNCCCCCNC(=O)C 9f330859b218abd81ac6fe1d141b26b2 [0,2,0,0,0,0|1,0,0]=3 12538 B13R0.54 CCCCNCCCCCOC(=O)C 85e7e3562d85eedb1a3b6e1fefc15820 [0,2,0,0,0,0|1,0,0]=3 12539 B13R0.54 CCCCNCCCSCCC(=O)N 1d8c0ba7078511e976a37ed68d0243e2 [0,2,0,0,0,0|1,0,0]=3 12540 B13R0.54 CCCCNCCOCCOC(=O)C 7ec7013ef433c879fb94ecd77373cbc0 [0,2,0,0,0,0|2,0,0]=4 12541 B13R0.54 CCCCOCCCCCCC(=O)N 66115071ba7d4ecca8bd997ab6e82875 [0,2,0,0,0,0|1,0,0]=3 12542 B13R0.54 CCCCOCCCCCCC(=O)O b75a171cf0e6a144a5f8f048973de421 [0,2,0,0,0,0|0,0,0]=2 12543 B13R0.54 CCCCOCCCCCOC(=O)C 31e122c33afd12d072f118cf83dcd934 [0,2,0,0,0,0|1,0,0]=3 12544 B13R0.54 CCCCOCCCNCCC(=O)C 1284f24fd944d8fdbd77319083c227a9 [0,2,0,0,0,0|1,0,0]=3 12545 B13R0.54 CCCCOCCCNCCC(=O)N ce771bc7b1069e7d6afb1c65c0bcc150 [0,2,0,0,0,0|1,0,0]=3 12546 B13R0.54 CCCCOCCCNCCC(=O)O f057db8c9f094a0ce88c9d20efad28e4 [0,2,0,0,0,0|0,0,0]=2 12547 B13R0.54 CCCCOCCCNCCC(C)O d4251aee2e74e8697f3fa192c9cf4c4a [0,2,0,0,0,0|1,0,1]=4 12548 B13R0.54 CCCCOCCCNCCS(=O)C c2fe5d46fb8274a1c4dfee399f339a2c [0,2,0,0,0,0|2,0,0]=4 12549 B13R0.54 CCCCOCCCNCOC(=O)C 628efffb942d393073d3f1efeb3cf7d0 [0,2,0,0,0,0|2,0,0]=4 12550 B13R0.54 CCCCOCCCNCSC(=O)N 3ab6782ac0137b3ac5acc555d94c9c67 [0,2,0,0,0,0|2,0,0]=4 12551 B13R0.54 CCCCOCCCOCCC(=O)C 6d630aa2f9163911cc7c12560cabfed0 [0,2,0,0,0,0|1,0,0]=3 12552 B13R0.54 CCCCOCCCOCCC(=O)N 14535233a0079fb7386639855d5b1bb5 [0,2,0,0,0,0|1,0,0]=3 12553 B13R0.54 CCCCOCCCOCCC(=O)O 05e1bab649f45171a3598f27096a4f9e [0,2,0,0,0,0|0,0,0]=2 12554 B13R0.54 CCCCOCCCOCCS(=O)C 23fc04882ec5a97d0e3a7d11540c087b [0,2,0,0,0,0|2,0,0]=4 12555 B13R0.54 CCCCOCCCOCOC(=O)C b8155f7757c11d43a410167c4d07a32c [0,2,0,0,0,0|2,0,0]=4 12556 B13R0.54 CCCCOCCCOCSC(=O)N 721efd66d2eccd730970de47ff09e74f [0,2,0,0,0,0|2,0,0]=4 12557 B13R0.54 CCCCOCCNC/C=C/C(=O)O 25dca06ac521dbe4bd2cc3937d8aacb5 [0,2,0,0,0,0|0,0,2]=4 12558 B13R0.54 CCCCOCCNCC#CC(=O)O 7d8297f8df80e738005580820744069e [0,2,0,0,0,0|0,0,2]=4 12559 B13R0.54 CCCCOCCNCC=CC(=O)O 3fe10dbbd6b95e092aa1aea261892271 [0,2,0,0,0,0|0,0,2]=4 12560 B13R0.54 CCCCOCCNCCCC(=O)C aa93b6847ef83169c0a8f10b9fb9b112 [0,2,0,0,0,0|1,0,0]=3 12561 B13R0.54 CCCCOCCNCCCC(=O)N 7b074a62e936f07dd3ffee1ea1bcff24 [0,2,0,0,0,0|1,0,0]=3 12562 B13R0.54 CCCCOCCNCCCC(=O)O 28f46a51828cf20923bb0fab3b4fa93f [0,2,0,0,0,0|0,0,0]=2 12563 B13R0.54 CCCCOCCNCCCC(C)O 57cf9f786e619a73bd57c83b6470755c [0,2,0,0,0,0|1,0,1]=4 12564 B13R0.54 CCCCOCCNCCCS(=O)C 69bc1dd1ac112507f2ac49a467459212 [0,2,0,0,0,0|2,0,0]=4 12565 B13R0.54 CCCCOCCNCCC[N+](=O)[O-] 28de07d1c939e04ef3cee458aba7379c [0,2,0,0,0,0|1,0,1]=4 12566 B13R0.54 CCCCOCCNCCNC(=O)C 4fcc00cdd8ceea7fc6e83bf49d30746a [0,2,0,0,0,0|2,0,0]=4 12567 B13R0.54 CCCCOCCNCCNC(=O)N 20b09d7b15b22fedf28dc3c68c43fee0 [0,2,0,0,0,0|2,0,0]=4 12568 B13R0.54 CCCCOCCNCCOC(=O)C 8d913ec2096275c0822e2430f890ef8c [0,2,0,0,0,0|2,0,0]=4 12569 B13R0.54 CCCCOCCNCCSC(=O)C 021211b3042605defae0dfd69ee51df5 [0,2,0,0,0,0|2,0,0]=4 12570 B13R0.54 CCCCOCCOC/C=C/C(=O)O b5304d820ec33ef37b1d8a855611ce01 [0,2,0,0,0,0|0,0,2]=4 12571 B13R0.54 CCCCOCCOCC#CC(=O)O 97b080d0ebb4cd3acb7cb762482894fb [0,2,0,0,0,0|0,0,2]=4 12572 B13R0.54 CCCCOCCOCC=CC(=O)O f65bda90bb53751b1d6018b74bb4e757 [0,2,0,0,0,0|0,0,2]=4 12573 B13R0.54 CCCCOCCOCCCC(=O)C 000dd01c73eed5285e1c415372e5716d [0,2,0,0,0,0|1,0,0]=3 12574 B13R0.54 CCCCOCCOCCCC(=O)N 8ba0d56482ca98ab248fc01da2ae1f91 [0,2,0,0,0,0|1,0,0]=3 12575 B13R0.54 CCCCOCCOCCCC(=O)O a572fcc212b020f57bde54665708c29b [0,2,0,0,0,0|0,0,0]=2 12576 B13R0.54 CCCCOCCOCCC[N+](=O)[O-] b249a2ed2c1755696eb410d458dbfb83 [0,2,0,0,0,0|1,0,1]=4 12577 B13R0.54 CCCCOCCOCCNC(=O)C 44e5632acb98f8aef9b01abe8f451b83 [0,2,0,0,0,0|2,0,0]=4 12578 B13R0.54 CCCCOCCOCCNC(=O)N 868d23af5369351c29240856bd61fc1a [0,2,0,0,0,0|2,0,0]=4 12579 B13R0.54 CCCCOCCOCCOC(=O)C 7f6d47a041370324ed8f3973e49b1d16 [0,2,0,0,0,0|2,0,0]=4 12580 B13R0.54 CCCCOCCOCCSC(=O)C be0d8ea807919f569c01d7af5bd26d22 [0,2,0,0,0,0|2,0,0]=4 12581 B13R0.54 CCCCOCCSSCCC(=O)O 36971831c261edcc8f8c9e0924e71975 [0,2,0,0,0,0|1,0,0]=3 12582 B13R0.54 CCCCOCNCCCCC(=O)N 799f4a94f66b0e8d63f566caf2df017b [0,2,0,0,0,0|1,0,0]=3 12583 B13R0.54 CCCCOCNCCCCC(=O)O 22de1ea80c4d2a69cdb21fc92ca6a43a [0,2,0,0,0,0|0,0,0]=2 12584 B13R0.54 CCCCOCNCCCNC(=O)C 8a7de0df71567a755f683e05fb309b45 [0,2,0,0,0,0|2,0,0]=4 12585 B13R0.54 CCCCOCNCCOCC(=O)O 7df12ad6254080994ffc00865f9ffd23 [0,2,0,0,0,0|1,0,0]=3 12586 B13R0.54 CCCCOCNCCSCC(=O)O 0ac02c46c74db56903f28c5d04fd8c36 [0,2,0,0,0,0|1,0,0]=3 12587 B13R0.54 CCCCOCOCCC#CC(=O)O 536718306059d7e4b17c22a2aa0c47b2 [0,2,0,0,0,0|0,0,2]=4 12588 B13R0.54 CCCCOCOCCCCC(=O)C 14948c7bef994b53d74b4e771a88f96f [0,2,0,0,0,0|1,0,0]=3 12589 B13R0.54 CCCCOCOCCCCC(=O)N 7d15b5894bb07d9d4bf94b49da09a044 [0,2,0,0,0,0|1,0,0]=3 12590 B13R0.54 CCCCOCOCCCCC(=O)O 2e2d4abe4f01f56b4f339f2841c5b550 [0,2,0,0,0,0|0,0,0]=2 12591 B13R0.54 CCCCOCOCCCC[N+](=O)[O-] 1b655513feb45f452e8fa685e959c824 [0,2,0,0,0,0|1,0,1]=4 12592 B13R0.54 CCCCOCOCCCNC(=O)C 7ad0c7b02ddd532bca4455595b359bb6 [0,2,0,0,0,0|2,0,0]=4 12593 B13R0.54 CCCCOCOCCCOC(=O)C 513801940816d4a66d7c37d9bfece34a [0,2,0,0,0,0|2,0,0]=4 12594 B13R0.54 CCCCOCOCCCSC(=O)C e5e454e8a631ec3cf5a3c4f5fe836720 [0,2,0,0,0,0|2,0,0]=4 12595 B13R0.54 CCCCOCOCCOCC(=O)O a075a830946cc7a7f2816f16633389d3 [0,2,0,0,0,0|1,0,0]=3 12596 B13R0.54 CCCCOCOCCSCC(=O)N 6b82443a21d6d897570dffebae19e840 [0,2,0,0,0,0|2,0,0]=4 12597 B13R0.54 CCCCSCCOC/C=C/C(=O)O 169a026a97866e044930d7b05d223d9d [0,2,0,0,0,0|0,0,2]=4 12598 B13R0.54 CCCCSCCOCC=CC(=O)O 0db4ea024f9b62f7da7b8eabe1965e79 [0,2,0,0,0,0|0,0,2]=4 12599 B13R0.54 CCCCSCCOCCCC(=O)C 8c70a677b58d20a80db54aba321a6232 [0,2,0,0,0,0|1,0,0]=3 12600 B13R0.54 CCCCSCCOCCCC(=O)N 923d7aa60c9094d410a52856b2fd7fb8 [0,2,0,0,0,0|1,0,0]=3 12601 B13R0.54 CCCCSCCOCCCC(=O)O 27ab2022d1215131056db44cd316db97 [0,2,0,0,0,0|0,0,0]=2 12602 B13R0.54 CCCCSCCOCCC[N+](=O)[O-] 925108cace20338d33efac90385d4f50 [0,2,0,0,0,0|1,0,1]=4 12603 B13R0.54 CCCCSCCOCCNC(=O)C 8b4dfc51c9beb857d3af3f3c3bbb48fe [0,2,0,0,0,0|2,0,0]=4 12604 B13R0.54 CCCCSCCOCCNC(=O)N 5c923184b89e5189e032482312de7bcb [0,2,0,0,0,0|2,0,0]=4 12605 B13R0.54 CCCCSCCOCCOC(=O)C 24852c0dc5580abeac5a37194e4f5f2d [0,2,0,0,0,0|2,0,0]=4 12606 B13R0.54 CCCCSCCOCCSC(=O)C 87cd48252d3379fbaed6d54d6e80e3bd [0,2,0,0,0,0|2,0,0]=4 12607 B13R0.54 CCCNCCCCCCCC(=O)N 8a855eaec05322a9026169fe4239c8cf [0,2,0,0,0,0|1,0,0]=3 12608 B13R0.54 CCCNCCCCCCCC(=O)O 0f9021c0b19d2c73e2c6a10a540b9e3d [0,2,0,0,0,0|0,0,0]=2 12609 B13R0.54 CCCNCCCCCCNC(=O)C 9356dbea178d5e34291f1191652b3edc [0,2,0,0,0,0|1,0,0]=3 12610 B13R0.54 CCCNCCCCCCOC(=O)C f2f6f82e80cdb199c1c49eb946f44ac4 [0,2,0,0,0,0|1,0,0]=3 12611 B13R0.54 CCCNCCOCCCCC(=O)O e07e43623a7413bf3ecf73faf5afaf62 [0,2,0,0,0,0|0,0,0]=2 12612 B13R0.54 CCCNCCOCCOCC(=O)O a2720330b413b167cf076ad53ebc3d9a [0,2,0,0,0,0|1,0,0]=3 12613 B13R0.54 CCCOCCCCCCCC(=O)C d9573ec0fb29c079d407c4ce5bb464a9 [0,2,0,0,0,0|1,0,0]=3 12614 B13R0.54 CCCOCCCCCCCC(=O)N 224cb8de0b66677e7a8926fa629f9437 [0,2,0,0,0,0|1,0,0]=3 12615 B13R0.54 CCCOCCCCCCCC(=O)O d399c858bdc8df17acbe58eee1e9c0da [0,2,0,0,0,0|0,0,0]=2 12616 B13R0.54 CCCOCCCCCCOC(=O)C 983cf8312ba9ec099779da05106aa0e1 [0,2,0,0,0,0|1,0,0]=3 12617 B13R0.54 CCCOCCCNC/C=C/C(=O)O a6796c9d13705a8c49ca5e52aa2051d1 [0,2,0,0,0,0|0,0,2]=4 12618 B13R0.54 CCCOCCCNCC#CC(=O)O 112541efbbf1f002130c9538eb51a817 [0,2,0,0,0,0|0,0,2]=4 12619 B13R0.54 CCCOCCCNCC=CC(=O)O 14ad29441c0365d1c0822892bd13bd54 [0,2,0,0,0,0|0,0,2]=4 12620 B13R0.54 CCCOCCCNCCCC(=O)C 6bf2086f438154f8365c4b67ef28bce5 [0,2,0,0,0,0|1,0,0]=3 12621 B13R0.54 CCCOCCCNCCCC(=O)N 7c4db57035c209cf04cf88073849ad66 [0,2,0,0,0,0|1,0,0]=3 12622 B13R0.54 CCCOCCCNCCCC(=O)O 3af5bd1603c2e397f0fdc1e265612fc3 [0,2,0,0,0,0|0,0,0]=2 12623 B13R0.54 CCCOCCCNCCCC(C)O 062db987b3c50cedb9cb3dafd1a9d160 [0,2,0,0,0,0|1,0,1]=4 12624 B13R0.54 CCCOCCCNCCCS(=O)C 3ab16e7e1bdcca9e675caeec38ea05ab [0,2,0,0,0,0|2,0,0]=4 12625 B13R0.54 CCCOCCCNCCC[N+](=O)[O-] 8bd03fbac360a7859c0b1b8f13e44285 [0,2,0,0,0,0|1,0,1]=4 12626 B13R0.54 CCCOCCCNCCNC(=O)C 834492e3e79d107e577e1135e38410f8 [0,2,0,0,0,0|2,0,0]=4 12627 B13R0.54 CCCOCCCNCCNC(=O)N 1d9bb692a5102d7eb7521e07d8f8167c [0,2,0,0,0,0|2,0,0]=4 12628 B13R0.54 CCCOCCCNCCOC(=O)C ded924962fffa5e717530848bb56caac [0,2,0,0,0,0|2,0,0]=4 12629 B13R0.54 CCCOCCCNCCSC(=O)C e1cd65c2ca16898c9ddae073625ff76e [0,2,0,0,0,0|2,0,0]=4 12630 B13R0.54 CCCOCCCOC/C=C/C(=O)O 0c7c986a268ce86cf378a04da2727dd0 [0,2,0,0,0,0|0,0,2]=4 12631 B13R0.54 CCCOCCCOCC#CC(=O)O 451e2ecb4e6fb0b2946dedb2c7af5ada [0,2,0,0,0,0|0,0,2]=4 12632 B13R0.54 CCCOCCCOCC=CC(=O)O 419ab74ecba1afa27d3eaf359fa157f3 [0,2,0,0,0,0|0,0,2]=4 12633 B13R0.54 CCCOCCCOCCCC(=O)C 7e8a26d2fa7554af84e5b4af9a51d592 [0,2,0,0,0,0|1,0,0]=3 12634 B13R0.54 CCCOCCCOCCCC(=O)N 25b88b21f10cdd9c701f02a5a1d0ac9f [0,2,0,0,0,0|1,0,0]=3 12635 B13R0.54 CCCOCCCOCCC[N+](=O)[O-] ecf042c6774b8ea2eb28247fb15d0259 [0,2,0,0,0,0|1,0,1]=4 12636 B13R0.54 CCCOCCCOCCNC(=O)C 131c3438f133d905c4cb0516c59cb8ac [0,2,0,0,0,0|2,0,0]=4 12637 B13R0.54 CCCOCCCOCCNC(=O)N dba54a76b03bc8b5a65b6056dbaf15ea [0,2,0,0,0,0|2,0,0]=4 12638 B13R0.54 CCCOCCCOCCOC(=O)C dcc736b7f5cd6cdd7e78c569469e9a70 [0,2,0,0,0,0|2,0,0]=4 12639 B13R0.54 CCCOCCNCCCCC(=O)C b012d5ef623382f05235189d01dfa59d [0,2,0,0,0,0|1,0,0]=3 12640 B13R0.54 CCCOCCNCCCCC(=O)N 80250d01afb20cbe767e9b1b80b750e4 [0,2,0,0,0,0|1,0,0]=3 12641 B13R0.54 CCCOCCNCCCCC(=O)O e192c1b4e7866943d208a28058955df5 [0,2,0,0,0,0|0,0,0]=2 12642 B13R0.54 CCCOCCNCCCCC(C)O 0c200277fa99b6ab9e980c464f79e3c3 [0,2,0,0,0,0|1,0,1]=4 12643 B13R0.54 CCCOCCNCCCC[C@@H](C)O aa51e0beebbbd0aa4b5f6e2a8742598e [0,2,0,0,0,0|1,0,1]=4 12644 B13R0.54 CCCOCCNCCCNC(=O)C 422a124f1164af9218bfc1a82eaf5a05 [0,2,0,0,0,0|2,0,0]=4 12645 B13R0.54 CCCOCCNCCCOC(=O)C 481fc73154cd788ec3ae7274094a1c91 [0,2,0,0,0,0|2,0,0]=4 12646 B13R0.54 CCCOCCNCCCSC(=O)C 5e39b9c3cee8f326da9ea5b952e5e270 [0,2,0,0,0,0|2,0,0]=4 12647 B13R0.54 CCCOCCNCCOCC(=O)N d7653eca4ee129ba052e928a58ec274c [0,2,0,0,0,0|2,0,0]=4 12648 B13R0.54 CCCOCCNCCOCC(=O)O c37a410662ded9c728a75017b3d9c4c8 [0,2,0,0,0,0|1,0,0]=3 12649 B13R0.54 CCCOCCNCCSCC(=O)O 1061d7dd6e2a89402d2c05ae970d9d60 [0,2,0,0,0,0|1,0,0]=3 12650 B13R0.54 CCCOCCOCCC#CC(=O)O ba28cde480175a4d0e246dcd614288a4 [0,2,0,0,0,0|0,0,2]=4 12651 B13R0.54 CCCOCCOCCCCC(=O)C 2ee60ce8eb1b4258f91c0e4d3b2720c0 [0,2,0,0,0,0|1,0,0]=3 12652 B13R0.54 CCCOCCOCCCCC(=O)N f5688b17481249ec3d2030a5e793fad9 [0,2,0,0,0,0|1,0,0]=3 12653 B13R0.54 CCCOCCOCCCCC(=O)O 3fa74f061e892d8be1c8dce9d7b16989 [0,2,0,0,0,0|0,0,0]=2 12654 B13R0.54 CCCOCCOCCCC[N+](=O)[O-] d4acd3328f864bcdef956cd79076d28d [0,2,0,0,0,0|1,0,1]=4 12655 B13R0.54 CCCOCCOCCCNC(=O)C 80aa4eb927403ecfb7135651c19e9641 [0,2,0,0,0,0|2,0,0]=4 12656 B13R0.54 CCCOCCOCCCOC(=O)C ed6a422eccf2b894b9ef37a550eb4faa [0,2,0,0,0,0|2,0,0]=4 12657 B13R0.54 CCCOCCOCCCSC(=O)C d90c2f24a990d0c6038dc7b6631efaa9 [0,2,0,0,0,0|2,0,0]=4 12658 B13R0.54 CCCOCCOCCOCC(=O)N 1876639b9fafba20fcbc1242603874fb [0,2,0,0,0,0|2,0,0]=4 12659 B13R0.54 CCCOCCOCCOCC(=O)O e596d4b4a1779e690d246d2d352bc8cd [0,2,0,0,0,0|1,0,0]=3 12660 B13R0.54 CCCOCCOCCSCC(=O)N 8d8a6cba8eaa091eeeb1a36c71a1fe90 [0,2,0,0,0,0|2,0,0]=4 12661 B13R0.54 CCCSCCCCNCCC(=O)C 422e042c82f89261ee5bceb14bde9d42 [0,2,0,0,0,0|1,0,0]=3 12662 B13R0.54 CCCSCCCCNCCC(=O)N 0fe59038e3fb8e4896d508583131f18c [0,2,0,0,0,0|1,0,0]=3 12663 B13R0.54 CCCSCCCCNCCC(=O)O cf11b18f6ec3b46b299c666d9aee36fb [0,2,0,0,0,0|0,0,0]=2 12664 B13R0.54 CCCSCCCCNCCC(C)O 0dc3e532b2e67bbc7152948493f9fa77 [0,2,0,0,0,0|1,0,1]=4 12665 B13R0.54 CCCSCCCCNCCS(=O)C acf83e697a9f80c2dbdcbac4c8b77032 [0,2,0,0,0,0|2,0,0]=4 12666 B13R0.54 CCCSCCCCNCOC(=O)C 5055de15d79b5f997431d030c51e8238 [0,2,0,0,0,0|2,0,0]=4 12667 B13R0.54 CCCSCCCCNCSC(=O)N 4cb2dd2796b8b0cf72a0379e57537253 [0,2,0,0,0,0|2,0,0]=4 12668 B13R0.54 CCCSCCOCCCCC(=O)C 917355bc37189e7c7d046196a396fed7 [0,2,0,0,0,0|1,0,0]=3 12669 B13R0.54 CCCSCCOCCCCC(=O)N 0799e8c112d25a921c05c1a37d0c7c62 [0,2,0,0,0,0|1,0,0]=3 12670 B13R0.54 CCCSCCOCCCCC(=O)O 352301f7c821bca6d3e9e5d117e988a4 [0,2,0,0,0,0|0,0,0]=2 12671 B13R0.54 CCCSCCOCCCNC(=O)C ce5fb653a85fe71d27ce876513fa8bca [0,2,0,0,0,0|2,0,0]=4 12672 B13R0.54 CCCSCCOCCCOC(=O)C ee6f7b391df048f0919fa8aa9e68a635 [0,2,0,0,0,0|2,0,0]=4 12673 B13R0.54 CCCSCCOCCCSC(=O)C ed60a503a166eea68e3f591a06fe24e6 [0,2,0,0,0,0|2,0,0]=4 12674 B13R0.54 CCCSCCOCCOCC(=O)N 71237804f1699756f402351fcbe697c3 [0,2,0,0,0,0|2,0,0]=4 12675 B13R0.54 CCCSCCOCCOCC(=O)O a883106544b40ebb1a1b9791b2d0025d [0,2,0,0,0,0|1,0,0]=3 12676 B13R0.54 CCNCCCCCCCCC(=O)O 056f8b683208a845493b246553c9bd4c [0,2,0,0,0,0|0,0,0]=2 12677 B13R0.54 CCNCCOCCOCCC(=O)O 49e944e7b1daf7dd281e9f9bc9a67085 [0,2,0,0,0,0|1,0,0]=3 12678 B13R0.54 CCOCCCCCCCCC(=O)O f71efee8afdc78f30a98612ae629fb40 [0,2,0,0,0,0|0,0,0]=2 12679 B13R0.54 CCOCCCNCCCCC(=O)C 117bf2c392facab5162c97a15e5a26c5 [0,2,0,0,0,0|1,0,0]=3 12680 B13R0.54 CCOCCCNCCCCC(=O)N d36c9da935d959d082cda2c6c198f4fd [0,2,0,0,0,0|1,0,0]=3 12681 B13R0.54 CCOCCCNCCCCC(=O)O dcef957a36a290adeb9b8b4fe46ae14d [0,2,0,0,0,0|0,0,0]=2 12682 B13R0.54 CCOCCCNCCCCC(C)O a97ad79b2762854b82fc0ce0bc662e5d [0,2,0,0,0,0|1,0,1]=4 12683 B13R0.54 CCOCCCNCCCC[C@@H](C)O 69165553d1ccfcbfc5efcdfafa50039f [0,2,0,0,0,0|1,0,1]=4 12684 B13R0.54 CCOCCCNCCCNC(=O)C ed584bbcddc055970e0652a08948ed7e [0,2,0,0,0,0|2,0,0]=4 12685 B13R0.54 CCOCCCNCCCOC(=O)C 53c011d7f933ba84bd18832ac64e622b [0,2,0,0,0,0|2,0,0]=4 12686 B13R0.54 CCOCCCNCCCSC(=O)C c779b8ced7c74e34f7d6a5db328fbb62 [0,2,0,0,0,0|2,0,0]=4 12687 B13R0.54 CCOCCCNCCOCC(=O)N f67311a608ee2f6e7ae71e15910b07ca [0,2,0,0,0,0|2,0,0]=4 12688 B13R0.54 CCOCCCNCCOCC(=O)O 8c89f5efaa09e30bce264f10f234a6dc [0,2,0,0,0,0|1,0,0]=3 12689 B13R0.54 CCOCCCNCCSCC(=O)O af954e6a77f50ef98d267c56746153c7 [0,2,0,0,0,0|1,0,0]=3 12690 B13R0.54 CCOCCCOCCC#CC(=O)O 10d8ec4ee0798552106552d9d56b48e9 [0,2,0,0,0,0|0,0,2]=4 12691 B13R0.54 CCOCCCOCCCCC(=O)C 1b30fd10e26b01be4f6bf13416c6114a [0,2,0,0,0,0|1,0,0]=3 12692 B13R0.54 CCOCCCOCCCCC(=O)N 13cd1b983823ce5a82991cdccdb52c1c [0,2,0,0,0,0|1,0,0]=3 12693 B13R0.54 CCOCCCOCCCCC(=O)O 47833c16aa828ee4d1a3dd45818ac60a [0,2,0,0,0,0|0,0,0]=2 12694 B13R0.54 CCOCCCOCCCC[N+](=O)[O-] ecb9a2270b42a21eb95e47514d3f168c [0,2,0,0,0,0|1,0,1]=4 12695 B13R0.54 CCOCCCOCCCNC(=O)C 6b3fb9fc3cac3a8b18cf9c499270eb7c [0,2,0,0,0,0|2,0,0]=4 12696 B13R0.54 CCOCCCOCCCOC(=O)C aca7faec04036bc9890b5b476ed86e8a [0,2,0,0,0,0|2,0,0]=4 12697 B13R0.54 CCOCCCOCCCSC(=O)C f2fb4004d6489d22ed18a00e4952df0b [0,2,0,0,0,0|2,0,0]=4 12698 B13R0.54 CCOCCCOCCOCC(=O)N 27547cbc2997f808c5ed86f259c942d2 [0,2,0,0,0,0|2,0,0]=4 12699 B13R0.54 CCOCCCOCCOCC(=O)O c92d690401625aec40dce66ebf1f067d [0,2,0,0,0,0|1,0,0]=3 12700 B13R0.54 CCOCCCOCCSCC(=O)N 3aa37a15d4dd8a5fd204e3f5a5a666dd [0,2,0,0,0,0|2,0,0]=4 12701 B13R0.54 CCOCCNCCCCCC(=O)C 497b9af8d0a12a4f6c61076af50f7468 [0,2,0,0,0,0|1,0,0]=3 12702 B13R0.54 CCOCCNCCCCCC(=O)N 5caf763e3512e90b9d6a8953791b0c17 [0,2,0,0,0,0|1,0,0]=3 12703 B13R0.54 CCOCCNCCCCCC(=O)O 4ffa3cf8bf84f4459b780772f44875e2 [0,2,0,0,0,0|0,0,0]=2 12704 B13R0.54 CCOCCNCCCCNC(=O)C 9f28df3f87f6c3154da45574c8d564c5 [0,2,0,0,0,0|2,0,0]=4 12705 B13R0.54 CCOCCNCCCCOC(=O)C eb7ae50ac52309b150265e1236065085 [0,2,0,0,0,0|2,0,0]=4 12706 B13R0.54 CCOCCNCCCCSC(=O)C 68b9c82819cd10bf1a55e79ca2908825 [0,2,0,0,0,0|2,0,0]=4 12707 B13R0.54 CCOCCNCCCOCC(=O)O 46e0dbcb53d44600609b0e56563040c6 [0,2,0,0,0,0|1,0,0]=3 12708 B13R0.54 CCOCCNCCOCCC(=O)O e1f4824c38d6b416beb8315375f400fd [0,2,0,0,0,0|1,0,0]=3 12709 B13R0.54 CCOCCOCCCCCC(=O)C 7a9ec39476f69a122b939a184d137368 [0,2,0,0,0,0|1,0,0]=3 12710 B13R0.54 CCOCCOCCCCCC(=O)N 32648665492a25bd4ee5b9bc33ead622 [0,2,0,0,0,0|1,0,0]=3 12711 B13R0.54 CCOCCOCCCCCC(=O)O 8dedefa0b7e651b9d0e5991fce469cbc [0,2,0,0,0,0|0,0,0]=2 12712 B13R0.54 CCOCCOCCCCOC(=O)C 9a5ad434a37663458852b83270397192 [0,2,0,0,0,0|2,0,0]=4 12713 B13R0.54 CCOCCOCCCCSC(=O)C adc7563d849a581afe13cc8ac60cb8a8 [0,2,0,0,0,0|2,0,0]=4 12714 B13R0.54 CCOCCOCCCOCC(=O)O 865e0370fef4bf8dd6fa030f795a6ce5 [0,2,0,0,0,0|1,0,0]=3 12715 B13R0.54 CCOCCOCCNCCC(=O)C 389ee7bb3d80a6fac24d71f214d49d10 [0,2,0,0,0,0|2,0,0]=4 12716 B13R0.54 CCOCCOCCNCCC(=O)N 2c221a19c9a1d92d766a8d082ca0b751 [0,2,0,0,0,0|2,0,0]=4 12717 B13R0.54 CCOCCOCCNCCC(=O)O c1a4c293119cddbdeb3178078e8f3242 [0,2,0,0,0,0|1,0,0]=3 12718 B13R0.54 CCOCCOCCNCCS(=O)O c9cbbff7b0c489988afc330b73db61a6 [0,2,0,0,0,0|2,0,0]=4 12719 B13R0.54 CCOCCOCCOCCC(=O)C 3beca074b1342cdef1dc530a14ecf484 [0,2,0,0,0,0|2,0,0]=4 12720 B13R0.54 CCOCCOCCOCCC(=O)N 206a3a5355601ec8d0e83dfffdc9d11b [0,2,0,0,0,0|2,0,0]=4 12721 B13R0.54 CCOCCOCCOCCC(=O)O b079c5c17df20c8734b43b9db945fe7e [0,2,0,0,0,0|1,0,0]=3 12722 B13R0.54 CCOCNCCCCCNC(=O)C 2c0af3913de45b04538792e9b4b1ddc3 [0,2,0,0,0,0|2,0,0]=4 12723 B13R0.54 CCOCOCCCCCCC(=O)N e6220aad123fc8d29494b0b1dff1a9d7 [0,2,0,0,0,0|1,0,0]=3 12724 B13R0.54 CCSCCCCNC/C=C/C(=O)O e2d45ab89840d734d90dfd757bd91d6c [0,2,0,0,0,0|0,0,2]=4 12725 B13R0.54 CCSCCCCNCC=CC(=O)O fd002b0ee3094205e7651ae55b3ab89f [0,2,0,0,0,0|0,0,2]=4 12726 B13R0.54 CCSCCCCNCCCC(=O)C b201c34ef07230ba28ac4055e859c096 [0,2,0,0,0,0|1,0,0]=3 12727 B13R0.54 CCSCCCCNCCCC(=O)N 789726d001cfc4bff8fd7c97d0ac8e2e [0,2,0,0,0,0|1,0,0]=3 12728 B13R0.54 CCSCCCCNCCCC(=O)O d8e63eab9521786528761209af297886 [0,2,0,0,0,0|0,0,0]=2 12729 B13R0.54 CCSCCCCNCCCC(C)O 0e449a63eec9dbd58edd47767d34e7eb [0,2,0,0,0,0|1,0,1]=4 12730 B13R0.54 CCSCCCCNCCC[N+](=O)[O-] 2324bb396ec166c4918ed5846b2d3413 [0,2,0,0,0,0|1,0,1]=4 12731 B13R0.54 CCSCCCCNCCNC(=O)C 37890cfb0f50efd3f241dbcb3b88b02a [0,2,0,0,0,0|2,0,0]=4 12732 B13R0.54 CCSCCCCNCCNC(=O)N 2fd4dc121eacb49fb43282bb344cb4ae [0,2,0,0,0,0|2,0,0]=4 12733 B13R0.54 CCSCCCCNCCOC(=O)C cdd27586f1c45d2427a7da5680b43c1d [0,2,0,0,0,0|2,0,0]=4 12734 B13R0.54 CCSCCCCNCCSC(=O)C 544e11a9b0253596f20f73c562587ce6 [0,2,0,0,0,0|2,0,0]=4 12735 B13R0.54 CCSCCCNCCCCC(=O)N 87922e4985945dff08a0254b4ba6133a [0,2,0,0,0,0|1,0,0]=3 12736 B13R0.54 CCSCCCNCCCNC(=O)C bfa6e6a1c31c65721738c6c13d1388ec [0,2,0,0,0,0|2,0,0]=4 12737 B13R0.54 CCSCCCOCCC#CC(=O)O 02625923194a1c1ecf0f9e157b8d1a48 [0,2,0,0,0,0|0,0,2]=4 12738 B13R0.54 CCSCCCOCCCCC(=O)C 23d89dd4b9dc81b57fd409d61fbe9ea9 [0,2,0,0,0,0|1,0,0]=3 12739 B13R0.54 CCSCCCOCCCCC(=O)N 65f85c77d497a09f056c7b0e7220e4cf [0,2,0,0,0,0|1,0,0]=3 12740 B13R0.54 CCSCCCOCCCCC(=O)O f66f1b9121109bf9a49f10a569091706 [0,2,0,0,0,0|0,0,0]=2 12741 B13R0.54 CCSCCCOCCCC[N+](=O)[O-] dce7567013d9fca69a0d95fdc8c3f5f8 [0,2,0,0,0,0|1,0,1]=4 12742 B13R0.54 CCSCCCOCCCNC(=O)C 131258d5799dbf612f34254600b46f06 [0,2,0,0,0,0|2,0,0]=4 12743 B13R0.54 CCSCCCOCCCOC(=O)C 239219332a5ba2a7677f3ed378b6c343 [0,2,0,0,0,0|2,0,0]=4 12744 B13R0.54 CCSCCCOCCCSC(=O)C 193d9ddec91d939fe85495b5760a2367 [0,2,0,0,0,0|2,0,0]=4 12745 B13R0.54 CCSCCCOCCOCC(=O)N 69290a29e872d194c0e82c85bc541c67 [0,2,0,0,0,0|2,0,0]=4 12746 B13R0.54 CCSCCCOCCOCC(=O)O b34044533e89ac7c9c3ad4d9f5722d33 [0,2,0,0,0,0|1,0,0]=3 12747 B13R0.54 CCSCCCOCCSCC(=O)N 86d5eaee5b3fbb8b20509e6350dedf0a [0,2,0,0,0,0|2,0,0]=4 12748 B13R0.54 CCSCCNCCCCCC(=O)C bcdc66af8f3a60316539a49cda0513f0 [0,2,0,0,0,0|1,0,0]=3 12749 B13R0.54 CCSCCNCCCCCC(=O)N bdb0988ad572eff5d5c153fe8cad3226 [0,2,0,0,0,0|1,0,0]=3 12750 B13R0.54 CCSCCNCCCCNC(=O)C 3766a73caae684675914015f0cca4d04 [0,2,0,0,0,0|2,0,0]=4 12751 B13R0.54 CCSCCNCCCCOC(=O)C 960ba7c850d341cff0978cf8b7813e34 [0,2,0,0,0,0|2,0,0]=4 12752 B13R0.54 CCSCCNCCCCSC(=O)C 0e192d9ed41fd81bb1d72e76be6cc434 [0,2,0,0,0,0|2,0,0]=4 12753 B13R0.54 CCSCCNCCCOCC(=O)O c2df0ab217d5a4959daa74d327edb8a5 [0,2,0,0,0,0|1,0,0]=3 12754 B13R0.54 CCSCCNCCOCCC(=O)O 2d1832eeb1646d4f900e8e41b124cae0 [0,2,0,0,0,0|1,0,0]=3 12755 B13R0.54 CCSCCOCCCCCC(=O)C bf0b3f08db460e3319b583ef6b1703be [0,2,0,0,0,0|1,0,0]=3 12756 B13R0.54 CCSCCOCCCCCC(=O)N 03295900b73dfaa22d288c07d224fa2d [0,2,0,0,0,0|1,0,0]=3 12757 B13R0.54 CCSCCOCCCCCC(=O)O c6c550b830a040e29795e02e2c7e8f24 [0,2,0,0,0,0|0,0,0]=2 12758 B13R0.54 CCSCCOCCCCOC(=O)C c4316bd91bc28730622b06a8413d3c42 [0,2,0,0,0,0|2,0,0]=4 12759 B13R0.54 CCSCCOCCCCSC(=O)C bd620738e301521142b51f38682491f2 [0,2,0,0,0,0|2,0,0]=4 12760 B13R0.54 CCSCCOCCCOCC(=O)O f56edccfc7e302388f8306e1df2ae696 [0,2,0,0,0,0|1,0,0]=3 12761 B13R0.54 CCSCCOCCOCCC(=O)O bf49b26ed8b4165572ea134b7b479d8c [0,2,0,0,0,0|1,0,0]=3 12762 B13R0.54 COCCCCCCNCCC(=O)N c2d85cf3ab1bdc1cc895ccd67c1c9e22 [0,2,0,0,0,0|1,0,0]=3 12763 B13R0.54 COCCCCCCNCCC(=O)O e39a7735e36c7c24df967aaff5087af2 [0,2,0,0,0,0|0,0,0]=2 12764 B13R0.54 COCCCCCCNCCC(=S)N 562a762b7b8dcb8f3de0c75a0b08e4d6 [0,2,0,0,0,0|1,1,0]=4 12765 B13R0.54 COCCCCCCNCCC(C)O bdc439c0c659edf4770eb0b6a858917b [0,2,0,0,0,0|1,0,1]=4 12766 B13R0.54 COCCCCCCNCCS(=O)C 5f4fb5fa07b6f80e5fe09b6c51374be6 [0,2,0,0,0,0|2,0,0]=4 12767 B13R0.54 COCCCCCCNCCS(=O)O a183b9c6792ad45e93546ebf0e6d7fea [0,2,0,0,0,0|1,0,0]=3 12768 B13R0.54 COCCCCCCNCC[C@@H](C)O 36fba03271cd4aa097ce750a36257694 [0,2,0,0,0,0|1,0,1]=4 12769 B13R0.54 COCCCCCCNCC[C@H](C)O a92f400f622470866857a37f23627e53 [0,2,0,0,0,0|1,0,1]=4 12770 B13R0.54 COCCCCCCOCCC(=O)C 6077f187bb82b5103e2c9cdbfa772e22 [0,2,0,0,0,0|1,0,0]=3 12771 B13R0.54 COCCCCCCOCCC(=O)N 5b21e8159ef1a010d9f3a4b427309f24 [0,2,0,0,0,0|1,0,0]=3 12772 B13R0.54 COCCCCCCOCCC(=O)O 04d3d005e55f4fd8bcb957e224ced8c9 [0,2,0,0,0,0|0,0,0]=2 12773 B13R0.54 COCCCCCCOCCS(=O)C ac599a152d71fdbe372f61b8f0cc6ac5 [0,2,0,0,0,0|2,0,0]=4 12774 B13R0.54 COCCCCCCOCC[N+](=O)[O-] 5822fc984f6592f53ae8146df883ea56 [0,2,0,0,0,0|1,0,1]=4 12775 B13R0.54 COCCCCCCOCNC(=O)C 50229a6da1d7e7c27aba6467ca2dec40 [0,2,0,0,0,0|2,0,0]=4 12776 B13R0.54 COCCCCCCOCNC(=O)N 53c1254eab9fd36f0b24a96f8eb7aad4 [0,2,0,0,0,0|2,0,0]=4 12777 B13R0.54 COCCCCCCOCOC(=O)C 60cd08ea0aa83995538ff740030cbf45 [0,2,0,0,0,0|2,0,0]=4 12778 B13R0.54 COCCCCCCOCSC(=O)N 6db9445eb4dee264147148ec66e7fc6e [0,2,0,0,0,0|2,0,0]=4 12779 B13R0.54 COCCCCCNC/C=C/C(=O)O 133c5d2ef0523e48ab89677694dde022 [0,2,0,0,0,0|0,0,2]=4 12780 B13R0.54 COCCCCCNCC#CC(=O)O 64089acdb3c65ac6a4f7c17dd4e572d4 [0,2,0,0,0,0|0,0,2]=4 12781 B13R0.54 COCCCCCNCC=CC(=O)O cc06fdeda93bd42ba0524faad4c32c58 [0,2,0,0,0,0|0,0,2]=4 12782 B13R0.54 COCCCCCNCCCC(=O)C 143d95c1f0830f152de80be706dabc08 [0,2,0,0,0,0|1,0,0]=3 12783 B13R0.54 COCCCCCNCCCC(=O)N 12255f9befa0d664b7a8b7b057cdc60d [0,2,0,0,0,0|1,0,0]=3 12784 B13R0.54 COCCCCCNCCCC(=O)O 613a84398088354e3f719e17a9d6a306 [0,2,0,0,0,0|0,0,0]=2 12785 B13R0.54 COCCCCCNCCCC(C)O fca692e362d7c90d6778d07eacaf8487 [0,2,0,0,0,0|1,0,1]=4 12786 B13R0.54 COCCCCCNCCCS(=O)C d23515f632c37aa14b26cd2f2139fe10 [0,2,0,0,0,0|2,0,0]=4 12787 B13R0.54 COCCCCCNCCC[N+](=O)[O-] 4f1d6e400d933538825555c4fcf3b1ea [0,2,0,0,0,0|1,0,1]=4 12788 B13R0.54 COCCCCCNCCNC(=O)C 96d0440c53e95a6bfe887cfc27fe4408 [0,2,0,0,0,0|2,0,0]=4 12789 B13R0.54 COCCCCCNCCNC(=O)N be2e84bd8eb060dc2cbc816a60b3a505 [0,2,0,0,0,0|2,0,0]=4 12790 B13R0.54 COCCCCCNCCOC(=O)C 8d697e45e5bbfb01534a01980cba498c [0,2,0,0,0,0|2,0,0]=4 12791 B13R0.54 COCCCCCNCCSC(=O)C 80ff2016ef3c289252440468af20e2d7 [0,2,0,0,0,0|2,0,0]=4 12792 B13R0.54 COCCCCCOC/C=C/C(=O)O d2e046b46ffe91302e1018539a582848 [0,2,0,0,0,0|0,0,2]=4 12793 B13R0.54 COCCCCCOCC#CC(=O)O fda64a86ffe9de85af1b000618d100a7 [0,2,0,0,0,0|0,0,2]=4 12794 B13R0.54 COCCCCCOCC=CC(=O)O 0b77671813ef8ea55adc2f2072d8c7e3 [0,2,0,0,0,0|0,0,2]=4 12795 B13R0.54 COCCCCCOCCCC(=O)C 30158641dc47b3d5c9cf616e0607b618 [0,2,0,0,0,0|1,0,0]=3 12796 B13R0.54 COCCCCCOCCCC(=O)N 7bdcb24ee4c69d965b4d6638555cdf24 [0,2,0,0,0,0|1,0,0]=3 12797 B13R0.54 COCCCCCOCCC[N+](=O)[O-] 07b6ed83fadd721ac790dbe14ae2057f [0,2,0,0,0,0|1,0,1]=4 12798 B13R0.54 COCCCCCOCCNC(=O)C 9c6fa348ac516443f567ba8de5cad903 [0,2,0,0,0,0|2,0,0]=4 12799 B13R0.54 COCCCCCOCCNC(=O)N 9ab406151d47e9ac42c9e3f25dbcb86c [0,2,0,0,0,0|2,0,0]=4 12800 B13R0.54 COCCCCCOCCOC(=O)C a6b4af70e177dd6981e1804ce302e506 [0,2,0,0,0,0|2,0,0]=4 12801 B13R0.54 COCCCCNCCCCC(=O)C 8fde1b276d2343b3f176923a9d7e9a1e [0,2,0,0,0,0|1,0,0]=3 12802 B13R0.54 COCCCCNCCCCC(=O)N c89940981dfdda7b456900b72309ce64 [0,2,0,0,0,0|1,0,0]=3 12803 B13R0.54 COCCCCNCCCCC(=O)O 18eee65b676c4c35c6831fff82abe11b [0,2,0,0,0,0|0,0,0]=2 12804 B13R0.54 COCCCCNCCCCC(C)O 14d24585588a34ce4b1651940b461cb2 [0,2,0,0,0,0|1,0,1]=4 12805 B13R0.54 COCCCCNCCCC[C@@H](C)O 6f684c021fb069f90df391a572ae7b6d [0,2,0,0,0,0|1,0,1]=4 12806 B13R0.54 COCCCCNCCCNC(=O)C e6285989b8bb34a539dfb95a097ea49a [0,2,0,0,0,0|2,0,0]=4 12807 B13R0.54 COCCCCNCCCOC(=O)C dfbd25f8e9a58c9b35d9ea7437c88e09 [0,2,0,0,0,0|2,0,0]=4 12808 B13R0.54 COCCCCNCCCSC(=O)C fb225b32a18033891af314de3f76cd71 [0,2,0,0,0,0|2,0,0]=4 12809 B13R0.54 COCCCCNCCOCC(=O)N eb8aaff0522b7a3a71c7d0c46f457a76 [0,2,0,0,0,0|2,0,0]=4 12810 B13R0.54 COCCCCNCCOCC(=O)O 3e1cf8d2cd952de46ced0cea29c51e90 [0,2,0,0,0,0|1,0,0]=3 12811 B13R0.54 COCCCCNCCSCC(=O)O f5f7bd7c63e24a4c86d805422185bc90 [0,2,0,0,0,0|1,0,0]=3 12812 B13R0.54 COCCCCOCCC#CC(=O)O abcc51e4c547a65b1be8bebed0364c48 [0,2,0,0,0,0|0,0,2]=4 12813 B13R0.54 COCCCCOCCCCC(=O)C e5ad8ce5a5bdcc5551b18a2ecf427d61 [0,2,0,0,0,0|1,0,0]=3 12814 B13R0.54 COCCCCOCCCCC(=O)N b82b8129d7932e6f9ec017eff1ba1e9b [0,2,0,0,0,0|1,0,0]=3 12815 B13R0.54 COCCCCOCCCCC(=O)O 9a92992a074f3cde42b2c56b2370929e [0,2,0,0,0,0|0,0,0]=2 12816 B13R0.54 COCCCCOCCCC[N+](=O)[O-] b40e79c6ebe0078b46870aa36f2a605b [0,2,0,0,0,0|1,0,1]=4 12817 B13R0.54 COCCCCOCCCNC(=O)C c44989941ed306fc0b0f27cf4057c681 [0,2,0,0,0,0|2,0,0]=4 12818 B13R0.54 COCCCCOCCCOC(=O)C a665ed97d186007565f7e2e087c29216 [0,2,0,0,0,0|2,0,0]=4 12819 B13R0.54 COCCCCOCCCSC(=O)C ebb9674d139976bb585d916b0ff5d433 [0,2,0,0,0,0|2,0,0]=4 12820 B13R0.54 COCCCCOCCOCC(=O)N ac5161e6773ffc12919184e7b6739207 [0,2,0,0,0,0|2,0,0]=4 12821 B13R0.54 COCCCCOCCOCC(=O)O 92d37f5d6886e6269587843cf86e7578 [0,2,0,0,0,0|1,0,0]=3 12822 B13R0.54 COCCCCOCCSCC(=O)N 378ef5d38fba473710857fe54bceb7eb [0,2,0,0,0,0|2,0,0]=4 12823 B13R0.54 COCCCNCCCCCC(=O)C 3dc4f19ed618518780ee859cb5d9c5d7 [0,2,0,0,0,0|1,0,0]=3 12824 B13R0.54 COCCCNCCCCCC(=O)N 10b7a2ae5949714b8033bf9a2143dc11 [0,2,0,0,0,0|1,0,0]=3 12825 B13R0.54 COCCCNCCCCCC(=O)O d02ed54e53c8559aa099ecea3876d02b [0,2,0,0,0,0|0,0,0]=2 12826 B13R0.54 COCCCNCCCCNC(=O)C a3acc160cd7db729b768804fef7ee80a [0,2,0,0,0,0|2,0,0]=4 12827 B13R0.54 COCCCNCCCCOC(=O)C b2b7ee2baf91bc61caf3940a958cea97 [0,2,0,0,0,0|2,0,0]=4 12828 B13R0.54 COCCCNCCCCSC(=O)C 3495962568c24d5185ed9f6e198e8199 [0,2,0,0,0,0|2,0,0]=4 12829 B13R0.54 COCCCNCCCOCC(=O)O 34f1e79334b0a43ef0d3799e2d80247c [0,2,0,0,0,0|1,0,0]=3 12830 B13R0.54 COCCCNCCOCCC(=O)O 39795c4740e1f9b958d194cf69edd26a [0,2,0,0,0,0|1,0,0]=3 12831 B13R0.54 COCCCOCCCCCC(=O)C 10e15c28347a6905f0ac2a761a5f8e5b [0,2,0,0,0,0|1,0,0]=3 12832 B13R0.54 COCCCOCCCCCC(=O)N 8bbe5f985c34cd8a45d1ed19fb06712b [0,2,0,0,0,0|1,0,0]=3 12833 B13R0.54 COCCCOCCCCCC(=O)O 47f36631dbe1ef5c8d4b489503f39dd0 [0,2,0,0,0,0|0,0,0]=2 12834 B13R0.54 COCCCOCCCCOC(=O)C 12d032bb473b553b2fa5c27d0b202e9a [0,2,0,0,0,0|2,0,0]=4 12835 B13R0.54 COCCCOCCCCSC(=O)C 947df686eec7b4e6d9b7eea4d5de978f [0,2,0,0,0,0|2,0,0]=4 12836 B13R0.54 COCCCOCCCOCC(=O)N 7c9c317f94c9f681eff2271bb6e0e45d [0,2,0,0,0,0|2,0,0]=4 12837 B13R0.54 COCCCOCCCOCC(=O)O b57249cb0f5a6e24e3e22c03ba4e0b03 [0,2,0,0,0,0|1,0,0]=3 12838 B13R0.54 COCCCOCCOCCC(=O)O 72ba8787ed590ab6178af9e3e055c547 [0,2,0,0,0,0|1,0,0]=3 12839 B13R0.54 COCCNCCCCCCC(=O)O fda96dfecf49ea1ee82a96f970f7f6eb [0,2,0,0,0,0|0,0,0]=2 12840 B13R0.54 COCCNCCCCCNC(=O)C a72e185ce5bf12567e0d654a0af66935 [0,2,0,0,0,0|2,0,0]=4 12841 B13R0.54 COCCNCCCCCOC(=O)C 9664653d4e0a1deb5e948290c23d33ed [0,2,0,0,0,0|2,0,0]=4 12842 B13R0.54 COCCNCCCSCCC(=O)N 4e714e202c8045dc0f1f8e3c460a79a0 [0,2,0,0,0,0|2,0,0]=4 12843 B13R0.54 COCCNCCSSCCC(=O)O e2697368e0cf548cd7904ef82c90e1b0 [0,2,0,0,0,0|2,0,0]=4 12844 B13R0.54 COCCOCCCCCCC(=O)N 48a0096059526f35d079c3fd15e29839 [0,2,0,0,0,0|1,0,0]=3 12845 B13R0.54 COCCOCCCCCCC(=O)O 6d8abc2a5d8d534414d06d578a5d6590 [0,2,0,0,0,0|0,0,0]=2 12846 B13R0.54 COCCOCCCCCOC(=O)C e86a508c92c536939e87c42cd779b46f [0,2,0,0,0,0|2,0,0]=4 12847 B13R0.54 COCCOCCCCNCC(=O)N f5f046cdf0b525c5be8f986d6a80fe31 [0,2,0,0,0,0|2,0,0]=4 12848 B13R0.54 COCCOCCCCNCC(=O)O ef622bc3708050c52315f145f5fb0cf7 [0,2,0,0,0,0|1,0,0]=3 12849 B13R0.54 COCCOCCCNCCC(=O)C 72857b055a7bd6ddce64308618b34cb8 [0,2,0,0,0,0|2,0,0]=4 12850 B13R0.54 COCCOCCCNCCC(=O)N 1f0a14a0cb8f7e3b3c80633297b8de70 [0,2,0,0,0,0|2,0,0]=4 12851 B13R0.54 COCCOCCCNCCC(=O)O f7a4dae2b5a307843b4cc247b644de24 [0,2,0,0,0,0|1,0,0]=3 12852 B13R0.54 COCCOCCCNCCS(=O)O d260451fe4443b08d4e425915dd453e3 [0,2,0,0,0,0|2,0,0]=4 12853 B13R0.54 COCCOCCCOCCC(=O)C a0e780c2ee51bf52f5ea11d946672e5c [0,2,0,0,0,0|2,0,0]=4 12854 B13R0.54 COCCOCCCOCCC(=O)N 0ff697c330ea7d23dc6642a0457dcc3f [0,2,0,0,0,0|2,0,0]=4 12855 B13R0.54 COCCOCCCOCCC(=O)O 6174bf9fc0093357584aadbf8c4bb00b [0,2,0,0,0,0|1,0,0]=3 12856 B13R0.54 COCCOCCNCCCC(=O)C 42b284aaf747e889c352d10835b52ef7 [0,2,0,0,0,0|2,0,0]=4 12857 B13R0.54 COCCOCCNCCCC(=O)N 218e7d38ff9344ff72d7c9a2ee15c0b1 [0,2,0,0,0,0|2,0,0]=4 12858 B13R0.54 COCCOCCNCCCC(=O)O c0e91a73c50446e5c4fd0a8ab90dcbe3 [0,2,0,0,0,0|1,0,0]=3 12859 B13R0.54 COCCOCCOCCCC(=O)C ea1d7939813b455f17911198862b7ae9 [0,2,0,0,0,0|2,0,0]=4 12860 B13R0.54 COCCOCCOCCCC(=O)N d13a55e08d86ca279b992dd411e36738 [0,2,0,0,0,0|2,0,0]=4 12861 B13R0.54 COCCOCCOCCCC(=O)O a51c9591f0c005098685baa83daaf148 [0,2,0,0,0,0|1,0,0]=3 12862 B13R0.54 COCCOCCSSCCC(=O)O e21afe1e2e86fb32b2547511aa16e8fc [0,2,0,0,0,0|2,0,0]=4 12863 B13R0.54 COCCOCNCCCCC(=O)N e1628ed8702b1a25122a0fa6e0649c79 [0,2,0,0,0,0|2,0,0]=4 12864 B13R0.54 COCCOCNCCCCC(=O)O 3100a51e7fce26ca2ffbc5d1cdb6fc03 [0,2,0,0,0,0|1,0,0]=3 12865 B13R0.54 COCCOCNCCOCC(=O)O 001d8e0d6bf4ee908048f27e196d22f4 [0,2,0,0,0,0|2,0,0]=4 12866 B13R0.54 COCCOCNCCSCC(=O)O 45812d0beceba3ac3d2103fd2639f115 [0,2,0,0,0,0|2,0,0]=4 12867 B13R0.54 COCCOCOCCCCC(=O)C 8799d07e4d6ab29667f2fafff01cc248 [0,2,0,0,0,0|2,0,0]=4 12868 B13R0.54 COCCOCOCCCCC(=O)N 037a3a22199e2841de4ab96c53a5dcac [0,2,0,0,0,0|2,0,0]=4 12869 B13R0.54 COCCOCOCCCCC(=O)O 62b76ce70942dc2138e0b6f00b8c8892 [0,2,0,0,0,0|1,0,0]=3 12870 B13R0.54 COCCOCOCCOCC(=O)O c373ed76d2f9ff036b8550549fe23406 [0,2,0,0,0,0|2,0,0]=4 12871 B13R0.54 COCNCCCCCCCC(=O)O 8fbf3719e8a20062e8d3dcf9677dc3b3 [0,2,0,0,0,0|0,0,0]=2 12872 B13R0.54 COCNCCCCCCNC(=O)C c3a22cd4ae85709db910fb2cab55b64b [0,2,0,0,0,0|2,0,0]=4 12873 B13R0.54 COCNCCOCCCCC(=O)O 6dd945415c160c46232e67861d312a48 [0,2,0,0,0,0|1,0,0]=3 12874 B13R0.54 COCNCCOCCOCC(=O)O 74c545b22a179446e5051aa4a7dc9888 [0,2,0,0,0,0|2,0,0]=4 12875 B13R0.54 COCOCCCCCCCC(=O)C 10024233c25da8ccb0ce35b5ac460a3d [0,2,0,0,0,0|1,0,0]=3 12876 B13R0.54 COCOCCCCCCCC(=O)N 49f52ea9685bc4cd09b7f0d6e8a6d5f7 [0,2,0,0,0,0|1,0,0]=3 12877 B13R0.54 COCOCCCCCCCC(=O)O da93443a610969d76a15b3e40ada2493 [0,2,0,0,0,0|0,0,0]=2 12878 B13R0.54 COCOCCCCCCOC(=O)C ca545f3eaee9ddeb68a4e0c381656202 [0,2,0,0,0,0|2,0,0]=4 12879 B13R0.54 COCOCCNCCCCC(=O)N 6cdb49fbeeb3adb40099202f2b55c58c [0,2,0,0,0,0|2,0,0]=4 12880 B13R0.54 COCOCCNCCCCC(=O)O f084df47d8806d9b98c0ad55ee729600 [0,2,0,0,0,0|1,0,0]=3 12881 B13R0.54 COCOCCNCCOCC(=O)O 7fe03e4bf32ba99c7612868341911264 [0,2,0,0,0,0|2,0,0]=4 12882 B13R0.54 COCOCCNCCSCC(=O)O 4601cfad8a736883072bc58ced46dcde [0,2,0,0,0,0|2,0,0]=4 12883 B13R0.54 COCOCCOCCCCC(=O)C 4383a8e1f8a3fd6d1472c9b7072064e6 [0,2,0,0,0,0|2,0,0]=4 12884 B13R0.54 COCOCCOCCCCC(=O)N d690116b24ec6f562bbc1264b25405fa [0,2,0,0,0,0|2,0,0]=4 12885 B13R0.54 COCOCCOCCCCC(=O)O 7dae236c06ec04b64db166f32e784240 [0,2,0,0,0,0|1,0,0]=3 12886 B13R0.54 COCOCCOCCOCC(=O)O 068ff461504b3022bf3b2d3ac620b23e [0,2,0,0,0,0|2,0,0]=4 12887 B13R0.54 CS(=O)CCCNCCCCCCF 67054fffe9262e4fab599d0d5cc5200b [0,2,0,0,0,0|2,0,0]=4 12888 B13R0.54 CS(=O)CCCNCCCCCCO 8d006a791e3b7bf3d4e27c9852b3e80a [0,2,0,0,0,0|2,0,0]=4 12889 B13R0.54 CS(=O)CCNCCCCCCCO 3eef7187b4d10b61742605a7b2e0155e [0,2,0,0,0,0|2,0,0]=4 12890 B13R0.54 CSCCCCNCCCCC(=O)C 4dc99c9dd637a7e797d7d2a0d7425dca [0,2,0,0,0,0|1,0,0]=3 12891 B13R0.54 CSCCCCNCCCCC(=O)N 4c1d92e9576db0b59d5a3221fe8ddcd5 [0,2,0,0,0,0|1,0,0]=3 12892 B13R0.54 CSCCCCNCCCCC(C)O b1ca639b8170bd240b56ebe0ef351127 [0,2,0,0,0,0|1,0,1]=4 12893 B13R0.54 CSCCCCNCCCC[C@@H](C)O 4743968dc0d1f9a2bceca297f063f804 [0,2,0,0,0,0|1,0,1]=4 12894 B13R0.54 CSCCCCNCCCNC(=O)C 94ea29c05d8da6337e03d8edcbaf3854 [0,2,0,0,0,0|2,0,0]=4 12895 B13R0.54 CSCCCCNCCCOC(=O)C 3ce4b5459a5797cb522eb43ee03eab40 [0,2,0,0,0,0|2,0,0]=4 12896 B13R0.54 CSCCCCNCCCSC(=O)C f30399945e31fdef1a59096f161c652f [0,2,0,0,0,0|2,0,0]=4 12897 B13R0.54 CSCCCCNCCOCC(=O)N e33ed61fc9937922d1e72f86425c2c7a [0,2,0,0,0,0|2,0,0]=4 12898 B13R0.54 CSCCCCNCCOCC(=O)O a819d17378ac51fe6a79887368eef244 [0,2,0,0,0,0|1,0,0]=3 12899 B13R0.54 CSCCCCOCCCCC(=O)C 10cdd3a76ea815e34a8e857c40eb8f91 [0,2,0,0,0,0|1,0,0]=3 12900 B13R0.54 CSCCCCOCCCCC(=O)N aa69eb1ff8581ad3e5b3cfed4ebe2b7a [0,2,0,0,0,0|1,0,0]=3 12901 B13R0.54 CSCCCCOCCCCC(=O)O ddd473eb0777f29e30309fe61b0d51e0 [0,2,0,0,0,0|0,0,0]=2 12902 B13R0.54 CSCCCCOCCCNC(=O)C 4b0f712e77e38e9c538410c5bebeb611 [0,2,0,0,0,0|2,0,0]=4 12903 B13R0.54 CSCCCCOCCCOC(=O)C 86e8ed26c6913ccffede8858de1667c1 [0,2,0,0,0,0|2,0,0]=4 12904 B13R0.54 CSCCCCOCCCSC(=O)C 6077b725a0847816c2ff5f5998e250f3 [0,2,0,0,0,0|2,0,0]=4 12905 B13R0.54 CSCCCCOCCOCC(=O)N 0f108695ec93d1715013f60a48e48219 [0,2,0,0,0,0|2,0,0]=4 12906 B13R0.54 CSCCCCOCCOCC(=O)O 00659bbbeed033825d1513e9c0623d68 [0,2,0,0,0,0|1,0,0]=3 12907 B13R0.54 CSCCCNCCCCCC(=O)C 155735173baa647cd85dd68827045ece [0,2,0,0,0,0|1,0,0]=3 12908 B13R0.54 CSCCCNCCCCCC(=O)N d9016bfb6a1b810dd57d58e5f98f9122 [0,2,0,0,0,0|1,0,0]=3 12909 B13R0.54 CSCCCNCCCCCC(=O)O 2332993ab42a88e89a375bbea2a07f0f [0,2,0,0,0,0|0,0,0]=2 12910 B13R0.54 CSCCCNCCCCNC(=O)C 6f06fb341b935c693d288a52ccc3b1a8 [0,2,0,0,0,0|2,0,0]=4 12911 B13R0.54 CSCCCNCCCCOC(=O)C 74b41ffdcf087ffe989c769f88f103e5 [0,2,0,0,0,0|2,0,0]=4 12912 B13R0.54 CSCCCNCCCCSC(=O)C 6155e4162285bb139b97e517abcd21e2 [0,2,0,0,0,0|2,0,0]=4 12913 B13R0.54 CSCCCNCCCOCC(=O)O 48cbe53c5d325172e8c3874a3cab4abc [0,2,0,0,0,0|1,0,0]=3 12914 B13R0.54 CSCCCNCCOCCC(=O)O 759b22b5761eb694aea2d80be7ba5c33 [0,2,0,0,0,0|1,0,0]=3 12915 B13R0.54 CSCCCOCCCCCC(=O)C f4d7d3b97627a833d887babe9d1cf1d3 [0,2,0,0,0,0|1,0,0]=3 12916 B13R0.54 CSCCCOCCCCCC(=O)N 14a9415d0665a5b3f6f07890ce98b4f0 [0,2,0,0,0,0|1,0,0]=3 12917 B13R0.54 CSCCCOCCCCCC(=O)O e3367dd54316b007622c2e61a6341a36 [0,2,0,0,0,0|0,0,0]=2 12918 B13R0.54 CSCCCOCCCCOC(=O)C dcf2539d46bc18204c539bcd2563ed47 [0,2,0,0,0,0|2,0,0]=4 12919 B13R0.54 CSCCCOCCCCSC(=O)C 408c57d3f68918b7f8bbf6cea101702e [0,2,0,0,0,0|2,0,0]=4 12920 B13R0.54 CSCCCOCCCOCC(=O)O e66b725d96a1b38cc3b041d9abfaf654 [0,2,0,0,0,0|1,0,0]=3 12921 B13R0.54 CSCCCOCCOCCC(=O)O 46b26ce9057498a5e6a7f8aecfc59e6d [0,2,0,0,0,0|1,0,0]=3 12922 B13R0.54 CSCCNCCCCCCC(=O)O d45bcaea8b549f3455648f0688edbb75 [0,2,0,0,0,0|0,0,0]=2 12923 B13R0.54 CSCCNCCCCCNC(=O)C c5dfd02ba37db5b543a5ff36daee8329 [0,2,0,0,0,0|2,0,0]=4 12924 B13R0.54 CSCCNCCCCCOC(=O)C 7ee9d1d28da73563a9e59b0b9d2f6a3b [0,2,0,0,0,0|2,0,0]=4 12925 B13R0.54 CSCCNCCCSCCC(=O)N 368ea81b7e20fbb77e943df5369a342a [0,2,0,0,0,0|2,0,0]=4 12926 B13R0.54 CSCCNCCSSCCC(=O)O 4ab4cb3a17e5bfa2a3ff7f922d74c1e6 [0,2,0,0,0,0|2,0,0]=4 12927 B13R0.54 CSCCOCCCCCCC(=O)N 134487042e6fcf4d83386d8bf919619d [0,2,0,0,0,0|1,0,0]=3 12928 B13R0.54 CSCCOCCCCCCC(=O)O 27221fe47154be770ad118f7c527364f [0,2,0,0,0,0|0,0,0]=2 12929 B13R0.54 CSCCOCCCCCOC(=O)C 236ae838cac55222e9835d7a44cdc731 [0,2,0,0,0,0|2,0,0]=4 12930 B13R0.54 CSCCOCCCNCCC(=O)C f3793edb85f184edd0b7811b39f245d9 [0,2,0,0,0,0|2,0,0]=4 12931 B13R0.54 CSCCOCCCNCCC(=O)N 2d769bc43c08eacc2654eb57f901815f [0,2,0,0,0,0|2,0,0]=4 12932 B13R0.54 CSCCOCCCNCCC(=O)O 53c2629ffc1c447391403ca96f1ddfb6 [0,2,0,0,0,0|1,0,0]=3 12933 B13R0.54 CSCCOCCSSCCC(=O)O a676b90fbfc22820686c591229a52641 [0,2,0,0,0,0|2,0,0]=4 12934 B13R0.54 CSCNCCCCCCCC(=O)O 813c9ff45de6e9eae30edb07a3e73efc [0,2,0,0,0,0|0,0,0]=2 12935 B13R0.54 CSCNCCCCCCNC(=O)C 946e7b82b95527ad004c81fb1e38665c [0,2,0,0,0,0|2,0,0]=4 12936 B13R0.54 CSCNCCOCCCCC(=O)O 574c277130b4da4a08127c5129cabcb9 [0,2,0,0,0,0|1,0,0]=3 12937 B13R0.54 CSCNCCOCCOCC(=O)O 2b51e9723a8337dc41579c21a0de3337 [0,2,0,0,0,0|2,0,0]=4 12938 B13R0.54 CSCOCCCCCCCC(=O)C f6c132b02042ede24d554038c31296f5 [0,2,0,0,0,0|1,0,0]=3 12939 B13R0.54 CSCOCCCCCCCC(=O)O 09cdb3c0dd952fa1c8d428c58a3b9dca [0,2,0,0,0,0|0,0,0]=2 12940 B13R0.54 CSCOCCOCCCCC(=O)O 9a57011eddde402e4f046b3a1d41670d [0,2,0,0,0,0|1,0,0]=3 12941 B13R0.54 CSCOCCOCCOCC(=O)O 63782bade7c0d3ed72a8c376ae0c28c7 [0,2,0,0,0,0|2,0,0]=4 12942 B13R0.54 C[C@@H](O)CCCCNCCCCCCl 4d684b048362781fbe029284e57f8ca2 [0,2,0,0,0,0|1,0,1]=4 12943 B13R0.54 C[C@@H](O)CCCCNCCCCCO 78359f98c8e84e6b4594f8343960cbc3 [0,2,0,0,0,0|1,0,1]=4 12944 B13R0.54 C[C@@H](O)CCNCCCCCCCO 76cb257b7e1d57f2e40da6e2ebfacaf5 [0,2,0,0,0,0|1,0,1]=4 12945 B13R0.54 C[C@@H](O)CNCCCCCCCCO b1e84124ce8a9971a8164c8203afcdc8 [0,2,0,0,0,0|1,0,1]=4 12946 B13R0.54 C[C@H](O)CCNCCCCCCCO 959cbd1407285841b88137340237a884 [0,2,0,0,0,0|1,0,1]=4 12947 B13R0.54 C[C@H](O)CNCCCCCCCCO 6fa72f99082fd8835d49c90b7acbc59e [0,2,0,0,0,0|1,0,1]=4 12948 B13R0.54 N#CCCCCCCNCCC(=O)N c5ade23894299942093b1e3c30c65ffb [0,2,0,0,0,0|1,0,1]=4 12949 B13R0.54 N#CCCCCCCNCCC(=O)O bd961b48576603ccaf7a2d81510517be [0,2,0,0,0,0|0,0,1]=3 12950 B13R0.54 N#CCCCCCCNCCS(=O)O d7a4eadd50e3fa8466c865a8a666c8d4 [0,2,0,0,0,0|1,0,1]=4 12951 B13R0.54 N#CCCCCCCOCCC(=O)N f2eb13af170884da83209954a7d70127 [0,2,0,0,0,0|1,0,1]=4 12952 B13R0.54 N#CCCCCCCOCCC(=O)O 059aaea23e56b72447c6f97c68119d40 [0,2,0,0,0,0|0,0,1]=3 12953 B13R0.54 N#CCCCCCNCCCC(=O)N 6cc4a90a0494ff5c4611ba0ac52b2231 [0,2,0,0,0,0|1,0,1]=4 12954 B13R0.54 N#CCCCCCNCCCC(=O)O acc9069612e34c21f7f851e3c0046b24 [0,2,0,0,0,0|0,0,1]=3 12955 B13R0.54 N#CCCCCCOCCCC(=O)N 66a67e16c55ffcc73a22329deb8be495 [0,2,0,0,0,0|1,0,1]=4 12956 B13R0.54 N#CCCCCCOCCCC(=O)O 5833d517f0004e6f23deb34b195e90cc [0,2,0,0,0,0|0,0,1]=3 12957 B13R0.54 N#CCCCCNCCCCC(=O)N 041fcedc9479485a84ccc7cc2ce1c962 [0,2,0,0,0,0|1,0,1]=4 12958 B13R0.54 N#CCCCCNCCCCC(=O)O 402c634f4a8f0ea2cdd4f9009eebe5a0 [0,2,0,0,0,0|0,0,1]=3 12959 B13R0.54 N#CCCCCNCCOCC(=O)O c5f38e72e83c6a5223cd4d02646ff637 [0,2,0,0,0,0|1,0,1]=4 12960 B13R0.54 N#CCCCCNCCSCC(=O)O 59a1193489c3369837949dfec91f1bfd [0,2,0,0,0,0|1,0,1]=4 12961 B13R0.54 N#CCCCCOCCCCC(=O)N 9d808b833ba1dccf4ebf0fcfe737b4fe [0,2,0,0,0,0|1,0,1]=4 12962 B13R0.54 N#CCCCCOCCCCC(=O)O efeb58f17607d26b90d6bc7382026657 [0,2,0,0,0,0|0,0,1]=3 12963 B13R0.54 N#CCCCCOCCOCC(=O)O 3d7d5a09f93e9747f784ffcf5f78d4b3 [0,2,0,0,0,0|1,0,1]=4 12964 B13R0.54 N#CCCCNCCCCCC(=O)N 498c110c99cb792ced6e69ac58c35fb4 [0,2,0,0,0,0|1,0,1]=4 12965 B13R0.54 N#CCCCNCCCCCC(=O)O b61d55d2a6b21b1e62732fce1c739258 [0,2,0,0,0,0|0,0,1]=3 12966 B13R0.54 N#CCCCNCCCOCC(=O)O 17dc8b08f5e8dc1217821f8120708d01 [0,2,0,0,0,0|1,0,1]=4 12967 B13R0.54 N#CCCCNCCOCCC(=O)O 91c5a2a67c07fc4948afc5cbb618c254 [0,2,0,0,0,0|1,0,1]=4 12968 B13R0.54 N#CCCCOCCCCCC(=O)N 200818be79b9975885f5cebac9c64095 [0,2,0,0,0,0|1,0,1]=4 12969 B13R0.54 N#CCCCOCCCCCC(=O)O 66e02eb94ec1358a7cc1f419622f1b68 [0,2,0,0,0,0|0,0,1]=3 12970 B13R0.54 N#CCCCOCCCOCC(=O)O 93ce0141e336ed645b057bac45a9650c [0,2,0,0,0,0|1,0,1]=4 12971 B13R0.54 N#CCCCOCCOCCC(=O)O 8a89c160cd6796b49ac7ad945286ea5d [0,2,0,0,0,0|1,0,1]=4 12972 B13R0.54 N#CCCNCCCCCCC(=O)O 1d9b6674c2f4b2be0e2077acbe09e052 [0,2,0,0,0,0|0,0,1]=3 12973 B13R0.54 N#CCCOCCCCCCC(=O)N 2b3900083f2028c1ba562982ca6dfe0d [0,2,0,0,0,0|1,0,1]=4 12974 B13R0.54 N#CCCOCCCCCCC(=O)O 379867bfacad86225750a7914f9e3f51 [0,2,0,0,0,0|0,0,1]=3 12975 B13R0.54 N#CCCOCCCOCCC(=O)O 8671b0c9b881f87de29c01ad13ada657 [0,2,0,0,0,0|1,0,1]=4 12976 B13R0.54 N#CCCOCCOCCCC(=O)O 1681402f3224bc9d2a7e48b6cf4f2434 [0,2,0,0,0,0|1,0,1]=4 12977 B13R0.54 N#CCNCCCCCCCC(=O)N d5f7c3e1d5cc3c6f1794928879839ac7 [0,2,0,0,0,0|1,0,1]=4 12978 B13R0.54 N#CCNCCCCCCCC(=O)O 1773a81f5b80c2adf41ad9262f505136 [0,2,0,0,0,0|0,0,1]=3 12979 B13R0.54 N#CCNCCOCCCCC(=O)O a14ffeb7a8168f1a5a9a6f6f69429bac [0,2,0,0,0,0|1,0,1]=4 12980 B13R0.54 N#CCOCCCCCCCC(=O)N 0d8b66a2d9e281bbc9b0270e5b985c32 [0,2,0,0,0,0|1,0,1]=4 12981 B13R0.54 N#CCOCCCCCCCC(=O)O 9d9b706638c4d7bf9891b8e46f807d75 [0,2,0,0,0,0|0,0,1]=3 12982 B13R0.54 N#CCOCCCOCCCC(=O)O 50588d7c5bfa6c3795635219123526f9 [0,2,0,0,0,0|1,0,1]=4 12983 B13R0.54 N#CCOCCNCCCCC(=O)O 28867c0c35aa0dd0478fd957483baa73 [0,2,0,0,0,0|1,0,1]=4 12984 B13R0.54 N#CCOCCOCCCCC(=O)O 8f786a8120687c664b2a79622fd7d3dc [0,2,0,0,0,0|1,0,1]=4 12985 B13R0.54 N#CSCOCCCCCCC(=O)O ea5e1268fa99b156a906e32097da6318 [0,2,0,0,0,0|1,0,1]=4 12986 B13R0.54 NC(=O)CCCCCCCNCCBr 186f80d7d7e781fab04b4f3575c8fdee [0,2,0,0,0,0|1,0,0]=3 12987 B13R0.54 NC(=O)CCCCCCCNCCF ec3b62ae96a7123c27211952ce0f1a6b [0,2,0,0,0,0|1,0,0]=3 12988 B13R0.54 NC(=O)CCCCCCCNCCI 16970b865d8e6cd59a62cfb1363843b1 [0,2,0,0,0,0|1,0,0]=3 12989 B13R0.54 NC(=O)CCCCCCCNCCO d56b9ec7b23d83c35a360393c4aee699 [0,2,0,0,0,0|1,0,0]=3 12990 B13R0.54 NC(=O)CCCCCCCNCCS d962423f82e02a9178e474cd2dc702e0 [0,2,0,0,0,0|1,0,0]=3 12991 B13R0.54 NC(=O)CCCCCCCOCCF c8870759834b89cac82a74a712c14f84 [0,2,0,0,0,0|1,0,0]=3 12992 B13R0.54 NC(=O)CCCCCCCOCCS e51951f9bf899d8bd887c4c6ae04cb75 [0,2,0,0,0,0|1,0,0]=3 12993 B13R0.54 NC(=O)CCCCCCOCCC=O 096582ea864601ab15a49c5c67d7b6db [0,2,0,0,0,0|1,0,1]=4 12994 B13R0.54 NC(=O)CCCCCCOCCCF 6e567e6b5337251b0a602086b1af8ec4 [0,2,0,0,0,0|1,0,0]=3 12995 B13R0.54 NC(=O)CCCCCCOCCCS e8dea04685e07421a10c8e2977f1f288 [0,2,0,0,0,0|1,0,0]=3 12996 B13R0.54 NC(=O)CCCCCNCCCC=O f6375919411a1018f272c651e02f807e [0,2,0,0,0,0|1,0,1]=4 12997 B13R0.54 NC(=O)CCCCCNCCCCCl 9381cee5d85fdef3c04fda9df6e85246 [0,2,0,0,0,0|1,0,0]=3 12998 B13R0.54 NC(=O)CCCCCNCCCCF 1474bb25c235b24b3b56c3edcb882785 [0,2,0,0,0,0|1,0,0]=3 12999 B13R0.54 NC(=O)CCCCCNCCCCO ed46f33caded5bdd8b5f852717441172 [0,2,0,0,0,0|1,0,0]=3 13000 B13R0.54 NC(=O)CCCCCNCCCCS a5d90a2340821a09f8b16414a3bce2f5 [0,2,0,0,0,0|1,0,0]=3 13001 B13R0.54 NC(=O)CCCCCOCCCC=O 4e0576ebb365cfb15f6e57cd2b2cd11f [0,2,0,0,0,0|1,0,1]=4 13002 B13R0.54 NC(=O)CCCCCOCCCCF b03d2b4eb8ae2677ccd88434364590b6 [0,2,0,0,0,0|1,0,0]=3 13003 B13R0.54 NC(=O)CCCCCOCCCCS 2cf8e25da1dffdd52c7c41cde26d93df [0,2,0,0,0,0|1,0,0]=3 13004 B13R0.54 NC(=O)CCCCNCCCCC=O ba6b7bb1ce6cb965ebfb07e4e0091c40 [0,2,0,0,0,0|1,0,1]=4 13005 B13R0.54 NC(=O)CCCCNCCCCCCl fe4c985cc37f1645a0e62bba72fcba8d [0,2,0,0,0,0|1,0,0]=3 13006 B13R0.54 NC(=O)CCCCNCCCCCF 35411d45f616ec9a3f0885c837157311 [0,2,0,0,0,0|1,0,0]=3 13007 B13R0.54 NC(=O)CCCCNCCCCCO be96f604a57f075efe1c3e09330e0472 [0,2,0,0,0,0|1,0,0]=3 13008 B13R0.54 NC(=O)CCCCNCCOCCO 81f6b1a71370466a7d6febd98c71b266 [0,2,0,0,0,0|2,0,0]=4 13009 B13R0.54 NC(=O)CCCCNCCOCCS e0e1ce87473e9ee44c8b2cd4c9a9bee5 [0,2,0,0,0,0|2,0,0]=4 13010 B13R0.54 NC(=O)CCCCNCCSCCO a2860958c3cbf02924361f0462235639 [0,2,0,0,0,0|2,0,0]=4 13011 B13R0.54 NC(=O)CCCCOCCCCC=O 1d184fc21fc043161e3eea2744fc3846 [0,2,0,0,0,0|1,0,1]=4 13012 B13R0.54 NC(=O)CCCCOCCCCCF bcb4a086b407f17bc8a81f5bfa9920ab [0,2,0,0,0,0|1,0,0]=3 13013 B13R0.54 NC(=O)CCCCOCCOCCF 6cfd0fdf3a5a65afd0fa46d77171bd58 [0,2,0,0,0,0|2,0,0]=4 13014 B13R0.54 NC(=O)CCCCOCCOCCS 5f9f5da4e3cc579decff9d041f40da96 [0,2,0,0,0,0|2,0,0]=4 13015 B13R0.54 NC(=O)CCCNCCCCCC=O d9d260392a6c5395649c2d811aa4d27e [0,2,0,0,0,0|1,0,1]=4 13016 B13R0.54 NC(=O)CCCNCCCCCCCl fb9f6bac1e7a802c451bf2e2bf1f0fcb [0,2,0,0,0,0|1,0,0]=3 13017 B13R0.54 NC(=O)CCCNCCCCCCF b1b145be4b614b4f37ac20fca7e07042 [0,2,0,0,0,0|1,0,0]=3 13018 B13R0.54 NC(=O)CCCNCCCCCCO a2590031b1b43698cad1be765a290563 [0,2,0,0,0,0|1,0,0]=3 13019 B13R0.54 NC(=O)CCCNCCCOCCO f673a1c7c3991ed379e38d8e6aa09926 [0,2,0,0,0,0|2,0,0]=4 13020 B13R0.54 NC(=O)CCCNCCOCCCO 266d7cffd566de5101b3d9f91687f57e [0,2,0,0,0,0|2,0,0]=4 13021 B13R0.54 NC(=O)CCCOCCCCCC=O ce14d0c06e28c9726da2b479b91d5995 [0,2,0,0,0,0|1,0,1]=4 13022 B13R0.54 NC(=O)CCCOCCCCCCF 7c3d26f65c8d12e77c1c7ed0f13b9227 [0,2,0,0,0,0|1,0,0]=3 13023 B13R0.54 NC(=O)CCCOCCCCCCS 359b7bbc1e49ed3a3df4a82e6ef23257 [0,2,0,0,0,0|1,0,0]=3 13024 B13R0.54 NC(=O)CCNCCCCCCC=O 9b3ba614e3bca35cc5c8422228d95944 [0,2,0,0,0,0|1,0,1]=4 13025 B13R0.54 NC(=O)CCNCCCCCCCO fa9c14d4ff52ac63d03a87ee1d18ab8d [0,2,0,0,0,0|1,0,0]=3 13026 B13R0.54 NC(=O)CCNCCCCSCCO 5abed53e81dec12cab32b3fb6cf5a511 [0,2,0,0,0,0|2,0,0]=4 13027 B13R0.54 NC(=O)CCNCCCOCCCO db5242b899701e753872b65d2a79e912 [0,2,0,0,0,0|2,0,0]=4 13028 B13R0.54 NC(=O)CCOCCCCCCC=O 078efdfdb72bc9e48d8f5ab42c015ccc [0,2,0,0,0,0|1,0,1]=4 13029 B13R0.54 NC(=O)CCSCCCNCCCF d7d9db39dbf7380d9fa96b4923ce022d [0,2,0,0,0,0|2,0,0]=4 13030 B13R0.54 NC(=O)CCSCCCNCCCO bc19f06cc17fff67e716dd7e019648e4 [0,2,0,0,0,0|2,0,0]=4 13031 B13R0.54 NC(=O)CCSCCCNCCCS 3a6aa30ca4a4c610e1493a10cbc60fa2 [0,2,0,0,0,0|2,0,0]=4 13032 B13R0.54 NC(=O)CNCCCCCCCCO 59042bc98c5250e2df29185d2fc5334b [0,2,0,0,0,0|1,0,0]=3 13033 B13R0.54 NC(=O)COCCNCCCCCCl 1b7692b11e290d9298301c4d370e6410 [0,2,0,0,0,0|2,0,0]=4 13034 B13R0.54 NC(=O)COCCNCCCCCO d4e29a17660f6d82287516fa44dc17f8 [0,2,0,0,0,0|2,0,0]=4 13035 B13R0.54 NC(=O)CSCCOCCCCCF 63fa17c7273d8b84741f077ed94fb131 [0,2,0,0,0,0|2,0,0]=4 13036 B13R0.54 NC(=O)NCCNCCCCCCCl 370428dea88448f96fe161105b1d2f4f [0,2,0,0,0,0|2,0,0]=4 13037 B13R0.54 NC(=O)NCCNCCCCCCO d9a8ac10a66e119fca6c959c52f2f166 [0,2,0,0,0,0|2,0,0]=4 13038 B13R0.54 NC(=O)NCCOCCCCCCF d5e585a9632bdf0685967f35f9273b80 [0,2,0,0,0,0|2,0,0]=4 13039 B13R0.54 NC(=O)NCCOCCCCCCS 0cbf7394b220f11519e3a5eebf4fe5e3 [0,2,0,0,0,0|2,0,0]=4 13040 B13R0.54 NC(=O)SCNCCCCCCCO fe053c560005d72d024348b802b0804c [0,2,0,0,0,0|2,0,0]=4 13041 B13R0.54 NC(=S)CCNCCCCCCCO 290429ce59964479ecbdfc671be19d8b [0,2,0,0,0,0|1,1,0]=4 13042 B13R0.54 NOCCCCNCCCCC(=O)N 9c354182fde6222d65ab714ec7041d68 [0,2,0,0,0,0|2,0,0]=4 13043 B13R0.54 NOCCCCNCCCCC(=O)O 6ab1a8d86e454c5f933663767f126386 [0,2,0,0,0,0|1,0,0]=3 13044 B13R0.54 NOCCCCNCCOCC(=O)O 2a7f4268f0553ad1236722d619eb6a21 [0,2,0,0,0,0|2,0,0]=4 13045 B13R0.54 NOCCCCNCCSCC(=O)O b7843635fd616071a9decf8b7490c0e2 [0,2,0,0,0,0|2,0,0]=4 13046 B13R0.54 NOCCOCCNCCCC(=O)O 8183834d21469600308f46efaeeafed5 [0,2,0,0,0,0|2,0,0]=4 13047 B13R0.54 O=C(O)/C=C/CNCCCCCCCl 25f5c69966991824f5ee9650e89d0e70 [0,2,0,0,0,0|0,0,2]=4 13048 B13R0.54 O=C(O)/C=C/CNCCCCCCF 7a3a658ff2c0fbef2fe6d97768cef04c [0,2,0,0,0,0|0,0,2]=4 13049 B13R0.54 O=C(O)/C=C/CNCCCCCCO 71e009ad724b604c86480ef770b27df8 [0,2,0,0,0,0|0,0,2]=4 13050 B13R0.54 O=C(O)/C=C/COCCCCCCF af1db5c8d41fd711e9bb2c64efbf6cae [0,2,0,0,0,0|0,0,2]=4 13051 B13R0.54 O=C(O)/C=C/COCCCCCCS b065c419220e3bfc2fec47769a44cba0 [0,2,0,0,0,0|0,0,2]=4 13052 B13R0.54 O=C(O)C#CCCOCCCCCF 035cfa10c3357435b8264950968ea971 [0,2,0,0,0,0|0,0,2]=4 13053 B13R0.54 O=C(O)C#CCNCCCCCCF 9a276ed485a407972a1a75add169b946 [0,2,0,0,0,0|0,0,2]=4 13054 B13R0.54 O=C(O)C#CCNCCCCCCO 80ac8f13ffc39540f717ff9f996a7584 [0,2,0,0,0,0|0,0,2]=4 13055 B13R0.54 O=C(O)C#CCOCCCCCCF 63fe26f147241d7ba92f82ee4a432daa [0,2,0,0,0,0|0,0,2]=4 13056 B13R0.54 O=C(O)C=CCNCCCCCCCl 3dac4fdf256c3ce4fb0bda4414832fff [0,2,0,0,0,0|0,0,2]=4 13057 B13R0.54 O=C(O)C=CCNCCCCCCF f4e8c9dd29f2013e387780cd939302f3 [0,2,0,0,0,0|0,0,2]=4 13058 B13R0.54 O=C(O)C=CCNCCCCCCO 0c5d07f3a82d7a60d6d690515adcb525 [0,2,0,0,0,0|0,0,2]=4 13059 B13R0.54 O=C(O)C=CCOCCCCCCF 218877355faa0225de9441c4a9a9c711 [0,2,0,0,0,0|0,0,2]=4 13060 B13R0.54 O=C(O)C=CCOCCCCCCS d3d19f977b2fac6810b1ef3f2caa9c8b [0,2,0,0,0,0|0,0,2]=4 13061 B13R0.54 O=C(O)CCCCCCCCNCF 30ea2922f10d1e003a2f51065e126242 [0,2,0,0,0,0|0,0,0]=2 13062 B13R0.54 O=C(O)CCCCCCCCNCO 9b3c91b142b29a7f723d23a14331bc9a [0,2,0,0,0,0|0,0,0]=2 13063 B13R0.54 O=C(O)CCCCCCCCOCF 411ff4a18f4a9c160bb7e1c49f9d86b3 [0,2,0,0,0,0|0,0,0]=2 13064 B13R0.54 O=C(O)CCCCCCCNCCF 590275ed0f880f1d9e3277711f1c58a1 [0,2,0,0,0,0|0,0,0]=2 13065 B13R0.54 O=C(O)CCCCCCCNCCI 35d6687d3cb4e2f6f4f4921e66271cba [0,2,0,0,0,0|0,0,0]=2 13066 B13R0.54 O=C(O)CCCCCCCNCCO 0170dd02fd19123d7212cedecb06c9ff [0,2,0,0,0,0|0,0,0]=2 13067 B13R0.54 O=C(O)CCCCCCCNCCS 069e7a795fcf3a3dd4fd8fd20bc95962 [0,2,0,0,0,0|0,0,0]=2 13068 B13R0.54 O=C(O)CCCCCCCOCCF 1cfc970bb3c5b4bc2821ab7db260dd6d [0,2,0,0,0,0|0,0,0]=2 13069 B13R0.54 O=C(O)CCCCCCCOCCS 12afa6a85e27c181bf775bd772af8d43 [0,2,0,0,0,0|0,0,0]=2 13070 B13R0.54 O=C(O)CCCCCCNC/C=C/Cl a78d52f53999615ca3700c01d04f5384 [0,2,0,0,0,0|0,0,2]=4 13071 B13R0.54 O=C(O)CCCCCCNC/C=C\Cl 4738f3a73ceaa18429f51f4e937e97e5 [0,2,0,0,0,0|0,0,2]=4 13072 B13R0.54 O=C(O)CCCCCCNC/C=C\O add7ca0aece61c76e429be87865d7f28 [0,2,0,0,0,0|0,0,2]=4 13073 B13R0.54 O=C(O)CCCCCCNCCCCl 5b66274712314b89a0ff1b3e8135f761 [0,2,0,0,0,0|0,0,0]=2 13074 B13R0.54 O=C(O)CCCCCCNCCCF 48bc55519ae39b271d991bb26a9b4b42 [0,2,0,0,0,0|0,0,0]=2 13075 B13R0.54 O=C(O)CCCCCCNCCCO 2db76f24bd0a72d16611fabf6f184e26 [0,2,0,0,0,0|0,0,0]=2 13076 B13R0.54 O=C(O)CCCCCCNCCCS f587e1425a329fee7b5519adbddd1e4e [0,2,0,0,0,0|0,0,0]=2 13077 B13R0.54 O=C(O)CCCCCCOC/C=C/Cl cef347a602932e92a35ffac653844793 [0,2,0,0,0,0|0,0,2]=4 13078 B13R0.54 O=C(O)CCCCCCOC/C=C\Cl 9582fc179986e549f0fec58c4b955990 [0,2,0,0,0,0|0,0,2]=4 13079 B13R0.54 O=C(O)CCCCCCOCC=CCl beec1bd48c9127fce1f3af344856eeb7 [0,2,0,0,0,0|0,0,2]=4 13080 B13R0.54 O=C(O)CCCCCCOCCCF 3046a30d506471d58849b4b845016f7e [0,2,0,0,0,0|0,0,0]=2 13081 B13R0.54 O=C(O)CCCCCCOCCCS 1688a640b77deff1bfdf19089f8daa0e [0,2,0,0,0,0|0,0,0]=2 13082 B13R0.54 O=C(O)CCCCCNCC#CCO 55e9021065f29eeea17761780e0edf56 [0,2,0,0,0,0|0,0,2]=4 13083 B13R0.54 O=C(O)CCCCCNCCCCF 120baa3c47702d9c31278125cac1ad6b [0,2,0,0,0,0|0,0,0]=2 13084 B13R0.54 O=C(O)CCCCCNCCCCO f7b57506148fd32ee92b116d88db79ca [0,2,0,0,0,0|0,0,0]=2 13085 B13R0.54 O=C(O)CCCCCOCCCCF 0a5e10bb7061cdc06ec68641f11f2c2d [0,2,0,0,0,0|0,0,0]=2 13086 B13R0.54 O=C(O)CCCCNCCCCCCl 82d0675d81c4bbf363a94d5cf6ecbbe5 [0,2,0,0,0,0|0,0,0]=2 13087 B13R0.54 O=C(O)CCCCNCCCCCF 4c6e4ba9e721ee2a33538b43750f6b3b [0,2,0,0,0,0|0,0,0]=2 13088 B13R0.54 O=C(O)CCCCNCCCCCO 46df79fde7e5ce1cf6653b411843efe4 [0,2,0,0,0,0|0,0,0]=2 13089 B13R0.54 O=C(O)CCCCNCCOCCO 79e4961518efa8e36682ccd8cb532c1a [0,2,0,0,0,0|1,0,0]=3 13090 B13R0.54 O=C(O)CCCCNCCOCCS 3e6494e130b3b5672bef3e3f7507b2f7 [0,2,0,0,0,0|1,0,0]=3 13091 B13R0.54 O=C(O)CCCCNCCSCCO f2da388d126e95a3a9cf4be2cd8a50aa [0,2,0,0,0,0|1,0,0]=3 13092 B13R0.54 O=C(O)CCCCOCCCCCF 3ddde0289a6902089d07e085e74aea7f [0,2,0,0,0,0|0,0,0]=2 13093 B13R0.54 O=C(O)CCCCOCCNCCF 00c46168201b7949112a4b5371879cd9 [0,2,0,0,0,0|1,0,0]=3 13094 B13R0.54 O=C(O)CCCCOCCNCCO ac5c1fe71e88496929c6fac913ac8acb [0,2,0,0,0,0|1,0,0]=3 13095 B13R0.54 O=C(O)CCCCOCCNCCS 302a85f0bd5569bc0d6da7849fe29730 [0,2,0,0,0,0|1,0,0]=3 13096 B13R0.54 O=C(O)CCCCOCCOCCF eb3f9fee56816f223a09203bff6078a9 [0,2,0,0,0,0|1,0,0]=3 13097 B13R0.54 O=C(O)CCCCOCCOCCS f2e98b0e111a81ca12900c3484de6523 [0,2,0,0,0,0|1,0,0]=3 13098 B13R0.54 O=C(O)CCCNCCCCCCF 360cb28dc8819d46430bf5b8ed8f8da3 [0,2,0,0,0,0|0,0,0]=2 13099 B13R0.54 O=C(O)CCCNCCCCCCO 3d665abe26fdc6e2fbc2ae2d30894cbc [0,2,0,0,0,0|0,0,0]=2 13100 B13R0.54 O=C(O)CCCNCCCOCCO 340cfb6096ebb733d973c8e26e8266a2 [0,2,0,0,0,0|1,0,0]=3 13101 B13R0.54 O=C(O)CCCNCCOCCCO 9802bc68c8d2b94865a42acda8d51bab [0,2,0,0,0,0|1,0,0]=3 13102 B13R0.54 O=C(O)CCCOCCCCCCF 50daffb7a68b82f7b723588b58da1a57 [0,2,0,0,0,0|0,0,0]=2 13103 B13R0.54 O=C(O)CCNCCCCCCCO 1638a8399abe83e55d2e266e2b2fdec6 [0,2,0,0,0,0|0,0,0]=2 13104 B13R0.54 O=C(O)CCNCCCCSCCO 444c45f945433ca05ce06d42fa47b923 [0,2,0,0,0,0|1,0,0]=3 13105 B13R0.54 O=C(O)CCNCCCOCCCO d4c7a1ef865f0dbaf97dc1101180f4aa [0,2,0,0,0,0|1,0,0]=3 13106 B13R0.54 O=C(O)CCOCCNCCCCCl 7b6c6940e009dd1882b14a179cb264bb [0,2,0,0,0,0|1,0,0]=3 13107 B13R0.54 O=C(O)CCOCCNCCCCF 1a58da881454426701bff3c794630f64 [0,2,0,0,0,0|1,0,0]=3 13108 B13R0.54 O=C(O)CCOCCNCCCCO f8d230800bdb85e1c3b2ae8a75f1e029 [0,2,0,0,0,0|1,0,0]=3 13109 B13R0.54 O=C(O)CCOCCNCCCCS f75068dab6c845c94a6e646374b4577b [0,2,0,0,0,0|1,0,0]=3 13110 B13R0.54 O=C(O)CCOCCOCCCCF 31260d07d7922706ef11956f78a036b1 [0,2,0,0,0,0|1,0,0]=3 13111 B13R0.54 O=C(O)CCOCCOCCCCS c533f77a0f81c559e97663caa4477bb4 [0,2,0,0,0,0|1,0,0]=3 13112 B13R0.54 O=C(O)CCOCCOCCNCF fff7eda6e8d0f575fd976b807a7a21c4 [0,2,0,0,0,0|2,0,0]=4 13113 B13R0.54 O=C(O)CCOCCOCCNCO 56db850346b470233e87e059ed4f30bb [0,2,0,0,0,0|2,0,0]=4 13114 B13R0.54 O=C(O)CCOCCOCCOCF 28ef064ee08edffc937c69b99bd775d6 [0,2,0,0,0,0|2,0,0]=4 13115 B13R0.54 O=C(O)CCSSCCOCCCF 0290ffd9987f29d462a6ae54fc33e1f8 [0,2,0,0,0,0|2,0,0]=4 13116 B13R0.54 O=C(O)CNCCCCCCCCO 0e36bac6fd0609ac64e2e3db3eabb114 [0,2,0,0,0,0|0,0,0]=2 13117 B13R0.54 O=C(O)CNCCOCCOCCF 5ec3691492834c9686f10d6d1a2395e0 [0,2,0,0,0,0|2,0,0]=4 13118 B13R0.54 O=C(O)CNCCOCCOCCO 4c0e39a5a31507f005456e65420a36d6 [0,2,0,0,0,0|2,0,0]=4 13119 B13R0.54 O=C(O)COCCCCCCC#CI 92c2dffce28c02199d0734588e4bd746 [0,2,0,0,0,0|0,0,2]=4 13120 B13R0.54 O=C(O)COCCCNCCCCCl 0d640424896ef6e6fe186fe1925db13e [0,2,0,0,0,0|1,0,0]=3 13121 B13R0.54 O=C(O)COCCCNCCCCO 0fc46765419b5e12e8b251fefcdb4568 [0,2,0,0,0,0|1,0,0]=3 13122 B13R0.54 O=C(O)COCCCNCCCCS a257ebb3659a9687696fb6a16285884a [0,2,0,0,0,0|1,0,0]=3 13123 B13R0.54 O=C(O)COCCCOCCCCF cbfb137f893874ad0e8415e92f87a2ff [0,2,0,0,0,0|1,0,0]=3 13124 B13R0.54 O=C(O)COCCCOCCCCS f1f2f4d960ce951cb3480d959fd811e7 [0,2,0,0,0,0|1,0,0]=3 13125 B13R0.54 O=C(O)COCCNCCCCCCl 83970b82947e86a4ae3f2fd60865271b [0,2,0,0,0,0|1,0,0]=3 13126 B13R0.54 O=C(O)COCCNCCCCCF 791c1fea84e72f0598777df6f7898d25 [0,2,0,0,0,0|1,0,0]=3 13127 B13R0.54 O=C(O)COCCNCCCCCO 32d8a68291ba03c5e6d23820d40d70a3 [0,2,0,0,0,0|1,0,0]=3 13128 B13R0.54 O=C(O)COCCNCCOCCO 0738d11a103d50300250a831967079d8 [0,2,0,0,0,0|2,0,0]=4 13129 B13R0.54 O=C(O)COCCNCCOCCS 133ce0d1262b52fd93cf2f6b6c317b74 [0,2,0,0,0,0|2,0,0]=4 13130 B13R0.54 O=C(O)COCCNCCSCCO 72abc8daa31e12fed8c40174db778df6 [0,2,0,0,0,0|2,0,0]=4 13131 B13R0.54 O=C(O)COCCOCCCCCF 700851f68a29b62718e8ab4d4308b264 [0,2,0,0,0,0|1,0,0]=3 13132 B13R0.54 O=C(O)COCCOCCNCCBr 32b27635f281363d8001d139c2827f62 [0,2,0,0,0,0|2,0,0]=4 13133 B13R0.54 O=C(O)COCCOCCNCCF bbfd5357e8e2b8083a21482907114c3f [0,2,0,0,0,0|2,0,0]=4 13134 B13R0.54 O=C(O)COCCOCCNCCI 8d836aebf6b94ec91f4d344ebb2f013f [0,2,0,0,0,0|2,0,0]=4 13135 B13R0.54 O=C(O)COCCOCCNCCO 8515fbb91c3d3369f0de891dd20a2f22 [0,2,0,0,0,0|2,0,0]=4 13136 B13R0.54 O=C(O)COCCOCCNCCS 7df024cdd953fc2281642db388d8e6be [0,2,0,0,0,0|2,0,0]=4 13137 B13R0.54 O=C(O)COCCOCCOCCF fec984bd5d74f5afed0270fda1f3f3a5 [0,2,0,0,0,0|2,0,0]=4 13138 B13R0.54 O=C(O)COCCOCCOCCS 8bf5bc83dfc3daf91f850e1cb8d503c8 [0,2,0,0,0,0|2,0,0]=4 13139 B13R0.54 O=C(O)CSCCNCCCCCO c8ff12a978a386c068ce01fd34da87d0 [0,2,0,0,0,0|1,0,0]=3 13140 B13R0.54 O=C(O)CSCCNCCOCCO 94036f91fa5410ddcc7f311b7227aa01 [0,2,0,0,0,0|2,0,0]=4 13141 B13R0.54 O=CCCCCCCNCCC(=O)O f32da7555205eb8c846e36faf0fd41cc [0,2,0,0,0,0|0,0,1]=3 13142 B13R0.54 O=CCCCCCCNCCS(=O)O 1059167b14f1e97f0672aa1b5ac20033 [0,2,0,0,0,0|1,0,1]=4 13143 B13R0.54 O=CCCCCCCOCCC(=O)O 5accf020fda1d268c5deb8c73d2d7028 [0,2,0,0,0,0|0,0,1]=3 13144 B13R0.54 O=CCCCCCNCCCC(=O)O 237d012866e5bbf587b5abf28c22dcef [0,2,0,0,0,0|0,0,1]=3 13145 B13R0.54 O=CCCCCNCCCCC(=O)O f42c5bd6efd0e4e79c175b3b79f679b0 [0,2,0,0,0,0|0,0,1]=3 13146 B13R0.54 O=CCCCCNCCOCC(=O)O 283d2dd8b8efc99c4bd70c6d645b636b [0,2,0,0,0,0|1,0,1]=4 13147 B13R0.54 O=CCCCCNCCSCC(=O)O 74bf620650585648954c79771d7cc326 [0,2,0,0,0,0|1,0,1]=4 13148 B13R0.54 O=CCCCCOCCCCC(=O)O 95d25283adf3ff9c4d03e4e7abf3a79c [0,2,0,0,0,0|0,0,1]=3 13149 B13R0.54 O=CCCCCOCCOCC(=O)O f792810d3025d20c7b484a9939c19215 [0,2,0,0,0,0|1,0,1]=4 13150 B13R0.54 O=CCCCNCCCCCC(=O)O d334e4e56f4f0c3a93fd8a1a7f70f13c [0,2,0,0,0,0|0,0,1]=3 13151 B13R0.54 O=CCCCNCCOCCC(=O)O b29577163c9a0ae112b282a36fdd7f2e [0,2,0,0,0,0|1,0,1]=4 13152 B13R0.54 O=CCCCOCCCCCC(=O)O 5d2db9ad8fb0d1188e719d8b948fa542 [0,2,0,0,0,0|0,0,1]=3 13153 B13R0.54 O=CCCCOCCCOCC(=O)O fbf2c16d54ad2677a50c233bb6d00932 [0,2,0,0,0,0|1,0,1]=4 13154 B13R0.54 O=CCCCOCCOCCC(=O)O bca1c9e002a5329c803018a41b703772 [0,2,0,0,0,0|1,0,1]=4 13155 B13R0.54 O=CCCNCCCCCCC(=O)O b70b87d89558c177fa9b895933daf96d [0,2,0,0,0,0|0,0,1]=3 13156 B13R0.54 O=CCCOCCCCCCC(=O)O 04058f5797fb54d23ecb743af0321608 [0,2,0,0,0,0|0,0,1]=3 13157 B13R0.54 O=CCNCCCCCCCC(=O)O 032046310fdce4b82e6cdf47d636447e [0,2,0,0,0,0|0,0,1]=3 13158 B13R0.54 O=CCNCCOCCCCC(=O)O 57493cdceddac841c0a7f9e9aa16b36d [0,2,0,0,0,0|1,0,1]=4 13159 B13R0.54 O=CCOCCCCCCCC(=O)O 444a10a657ab8eb1011b2dd8d0be54a9 [0,2,0,0,0,0|0,0,1]=3 13160 B13R0.54 O=CCOCCNCCCCC(=O)O 570e3ab8f251bd78678bef00640592c9 [0,2,0,0,0,0|1,0,1]=4 13161 B13R0.54 O=CCOCCOCCCCC(=O)O 0b47eea3ef65b4ca42573e9cfa26a28c [0,2,0,0,0,0|1,0,1]=4 13162 B13R0.54 O=CNCCOCCCCCC(=O)O 97b2b398391a3c16bd8a0f477ce4cef3 [0,2,0,0,0,0|1,0,1]=4 13163 B13R0.54 O=COCCOCCCCCC(=O)O 09047364023cc61b9414c466e8f3f384 [0,2,0,0,0,0|1,0,1]=4 13164 B13R0.54 O=S(O)CCNCCCCCCCO e068fe1b5bca82db2cbe620b9607a9ae [0,2,0,0,0,0|1,0,0]=3 13165 B13R0.54 O=S(O)CCNCCCOCCCO f687dbbb57d566bfee901327990d6153 [0,2,0,0,0,0|2,0,0]=4 13166 B13R0.54 O=[N+]([O-])CCCCOCCCCCF 2d306310d78b8fb8cda9515c367dd7f0 [0,2,0,0,0,0|1,0,1]=4 13167 B13R0.54 O=[N+]([O-])CCCNCCCCCCCl 2b54623609698ad7bebd1b9dd72601b5 [0,2,0,0,0,0|1,0,1]=4 13168 B13R0.54 O=[N+]([O-])CCCNCCCCCCO 7785364675598ec26c306c070eba3862 [0,2,0,0,0,0|1,0,1]=4 13169 B13R0.54 O=[N+]([O-])CCCOCCCCCCF e0c63a80978fc4edd6a6420cb8ba7628 [0,2,0,0,0,0|1,0,1]=4 13170 B13R0.54 O=[N+]([O-])CCCOCCCCCCS 048f170cc426c3b2bb998c8edb413e53 [0,2,0,0,0,0|1,0,1]=4 13171 B13R0.54 O=[N+]([O-])CNCCCCCCCCO 1a583299893e619692d2a0151ca1daec [0,2,0,0,0,0|1,0,1]=4 13172 B13R0.119 C=C(C)CCCNCC(O)CCCC b047b73d1e5b7ba98f5856fdc1275a18 [0,2,0,0,0,0|2,0,0]=4 13173 B13R0.119 C=C(C)CCCOCC(C)CCCC c2da6edf2551998772bd318a0be67527 [0,2,0,0,0,0|2,0,0]=4 13174 B13R0.119 C=C(C)CCOCCC(C)CCCC 08780293717f650eb2aff3443646a4a3 [0,2,0,0,0,0|2,0,0]=4 13175 B13R0.119 C=CCCC(C)NCCCCC(=O)O fbf1d2f3a92e900ba0d71b437a279efb [0,2,0,0,0,0|0,0,2]=4 13176 B13R0.119 C=CCCC(C)OCCCCC(=O)O 53ab3b19270d508e689c70c0170afa00 [0,2,0,0,0,0|0,0,2]=4 13177 B13R0.119 C=CCCC(O)CNCCCC(=O)O 4b4ff82590fe9755e94cee23a17b9080 [0,2,0,0,0,0|0,0,2]=4 13178 B13R0.119 C=CCCN(C)CCCCCC(=O)O e81b65acfced560d651c65a562d917a7 [0,2,0,0,0,0|0,0,2]=4 13179 B13R0.119 C=CCC[C@@H](C)OCCCCC(=O)O 203e3c66d7bb2a943883ff219a4bdc0f [0,2,0,0,0,0|0,0,2]=4 13180 B13R0.119 C=CCC[C@@H](O)CNCCCC(=O)O f08fefeb315e30ab880ffcfa75eac99a [0,2,0,0,0,0|0,0,2]=4 13181 B13R0.119 C=CCOC(C)CCCCCC(=O)O 1db03d35e96b38b38c5feeadc4ec24e2 [0,2,0,0,0,0|0,0,2]=4 13182 B13R0.119 CC(=O)CCCCCN(C)CCCO 6ef86b8437ea98dd3629f3e1dd1d6c23 [0,2,0,0,0,0|2,0,0]=4 13183 B13R0.119 CC(=O)CCCCNC(C)CCCO 1140846966b8579d204f1b1bff048b05 [0,2,0,0,0,0|2,0,0]=4 13184 B13R0.119 CC(=O)CCCCN[C@H](C)CCCO 5c543c3d50838e1e8650278db4a30b8b [0,2,0,0,0,0|2,0,0]=4 13185 B13R0.119 CC(=O)CCCNC[C@H](C)CCCO e300313536f58b61faa0a02b922e5419 [0,2,0,0,0,0|2,0,0]=4 13186 B13R0.119 CC(CCC#N)NCCCCC(=O)O ef59fb9dcda6b10cc3218132927c74b6 [0,2,0,0,0,0|1,0,1]=4 13187 B13R0.119 CC(CCC#N)OCCCCC(=O)O b982f1c133dfeb32eb753e5f058cfdf5 [0,2,0,0,0,0|1,0,1]=4 13188 B13R0.119 CC(CCCCCC(=O)O)OCC#N dfec908572bcddb646f1f0d67081efa6 [0,2,0,0,0,0|1,0,1]=4 13189 B13R0.119 CC(CCCCCC(=O)O)OCC=O d3a93b95512cfc845148ca75e8bebea4 [0,2,0,0,0,0|1,0,1]=4 13190 B13R0.119 CC(CCCCCC(=O)O)OCCF 10af51c04965da4a0de8da3c9326b8fc [0,2,0,0,0,0|1,0,0]=3 13191 B13R0.119 CC(CCCO)NCCCCC(=O)N 44e49303b2d7232336c52fe6e4557ab4 [0,2,0,0,0,0|2,0,0]=4 13192 B13R0.119 CC(CCCO)NCCCCC(=O)O 10062b7967631ef93053fd77d7f446c4 [0,2,0,0,0,0|1,0,0]=3 13193 B13R0.119 CC(CCCO)NCCOCC(=O)O c83d52ad0da5137513c1959b8b41c794 [0,2,0,0,0,0|2,0,0]=4 13194 B13R0.119 CCCCC(=O)NCCCCC(=O)N 1c538dca8216bbb1cb529ca54b0192e8 [0,2,0,0,0,0|1,0,1]=4 13195 B13R0.119 CCCCC(=O)OCNCCC(=O)O 270fe22b6261e836c13b57a19b7b1701 [0,2,0,0,0,0|1,0,1]=4 13196 B13R0.119 CCCCC(=O)OCOCCC(=O)O 8c3c27bf08f74a1aed449d075ec0a265 [0,2,0,0,0,0|1,0,1]=4 13197 B13R0.119 CCCCC(C)CCOCCC(=O)C 53d5358a9b9d7cb9e9280c6ec2066ca7 [0,2,0,0,0,0|1,0,0]=3 13198 B13R0.119 CCCCC(C)CCOCCC(=O)N 4b525606558245372a252cb2baa50e33 [0,2,0,0,0,0|1,0,0]=3 13199 B13R0.119 CCCCC(C)CCOCCC(=O)O 6e95e697222d71b6f869c91a8936eb90 [0,2,0,0,0,0|0,0,0]=2 13200 B13R0.119 CCCCC(C)CCOCCS(=O)C 78f2b60c403d01301962cb01a879c870 [0,2,0,0,0,0|2,0,0]=4 13201 B13R0.119 CCCCC(C)CCOCOC(=O)C 0f5bf1d7c5271a79fda73398f1713b5d [0,2,0,0,0,0|2,0,0]=4 13202 B13R0.119 CCCCC(C)CCOCSC(=O)N e9789bc7fd434cf03f59f292b99178f3 [0,2,0,0,0,0|2,0,0]=4 13203 B13R0.119 CCCCC(C)COC/C=C/C(=O)O a5b7543a1be07c37d40c2aa2fdcf4dd5 [0,2,0,0,0,0|0,0,2]=4 13204 B13R0.119 CCCCC(C)COCC=CC(=O)O 731af08c89604226012057b12beef05b [0,2,0,0,0,0|0,0,2]=4 13205 B13R0.119 CCCCC(C)COCCCC(=O)C d70fe437e6c1f0ebc86dc911cc9945c4 [0,2,0,0,0,0|1,0,0]=3 13206 B13R0.119 CCCCC(C)COCCCC(=O)N 2d10406b3374d9f52b74d04c07df1661 [0,2,0,0,0,0|1,0,0]=3 13207 B13R0.119 CCCCC(C)COCCC[N+](=O)[O-] c820e8733ceae7a90d036b526c07a589 [0,2,0,0,0,0|1,0,1]=4 13208 B13R0.119 CCCCC(C)COCCNC(=O)C b58fb677db9aeaf928287b71e9868b76 [0,2,0,0,0,0|2,0,0]=4 13209 B13R0.119 CCCCC(C)COCCNC(=O)N 947ad2928ad265ed1d0bdc6057050f20 [0,2,0,0,0,0|2,0,0]=4 13210 B13R0.119 CCCCC(C)COCCOC(=O)C cbf577938a1769c4bca88e392d137057 [0,2,0,0,0,0|2,0,0]=4 13211 B13R0.119 CCCCC(C)COCCSC(=O)C 3d167902b9316a7a63a3f0e897081f43 [0,2,0,0,0,0|2,0,0]=4 13212 B13R0.119 CCCCC(C)NCCCCC(=O)C 1a454f869982c6fd5a2edc4a8947575b [0,2,0,0,0,0|1,0,0]=3 13213 B13R0.119 CCCCC(C)NCCCCC(=O)N 9b2e9fcc78805e79e80b8f307fc86a8f [0,2,0,0,0,0|1,0,0]=3 13214 B13R0.119 CCCCC(C)NCCCCC(=O)O 5ad004698fe5230cb57783e24bd4f613 [0,2,0,0,0,0|0,0,0]=2 13215 B13R0.119 CCCCC(C)NCCCCC(C)O e6a9fe93f128bce5ebe0d1f2c12730a5 [0,2,0,0,0,0|1,0,1]=4 13216 B13R0.119 CCCCC(C)NCCCC[C@@H](C)O fb4fe2b7f42a1db926ade6b6676ee539 [0,2,0,0,0,0|1,0,1]=4 13217 B13R0.119 CCCCC(C)NCCCNC(=O)C 9f8f4f2894cf793576f4db921d5eba49 [0,2,0,0,0,0|2,0,0]=4 13218 B13R0.119 CCCCC(C)NCCCOC(=O)C efb03bf4797fa64ef57f0b07a50e47b0 [0,2,0,0,0,0|2,0,0]=4 13219 B13R0.119 CCCCC(C)NCCCSC(=O)C 1e4a86cb732435d3354871e5d0153741 [0,2,0,0,0,0|2,0,0]=4 13220 B13R0.119 CCCCC(C)NCCOCC(=O)N e82e94b1ce5af179cb989da166f9c1ea [0,2,0,0,0,0|2,0,0]=4 13221 B13R0.119 CCCCC(C)NCCOCC(=O)O 3c6f03624674a80ce03a09ba9a8db51d [0,2,0,0,0,0|1,0,0]=3 13222 B13R0.119 CCCCC(C)OCCC#CC(=O)O 7b826d5a4827b0b8c6c5c61d9609cea6 [0,2,0,0,0,0|0,0,2]=4 13223 B13R0.119 CCCCC(C)OCCCCC(=O)C 264f4eb5e3401b395af5422c3ee7db90 [0,2,0,0,0,0|1,0,0]=3 13224 B13R0.119 CCCCC(C)OCCCCC(=O)N 605452f757b54b34cb316843f9702151 [0,2,0,0,0,0|1,0,0]=3 13225 B13R0.119 CCCCC(C)OCCCC[N+](=O)[O-] 680067aeb1ffce87d23886f9b65875c3 [0,2,0,0,0,0|1,0,1]=4 13226 B13R0.119 CCCCC(C)OCCCNC(=O)C f67d9d7e2a585294c7cde7dd2ee47372 [0,2,0,0,0,0|2,0,0]=4 13227 B13R0.119 CCCCC(C)OCCCOC(=O)C 5f2023fad12ec9ddceb4b9b467691d81 [0,2,0,0,0,0|2,0,0]=4 13228 B13R0.119 CCCCC(C)OCCCSC(=O)C 70af0043b299f3404ea886ca15380b6b [0,2,0,0,0,0|2,0,0]=4 13229 B13R0.119 CCCCC(C)OCCOCC(=O)N ea1bf3af6c05b75a67f56b2c9c2ed9c5 [0,2,0,0,0,0|2,0,0]=4 13230 B13R0.119 CCCCC(C)OCCOCC(=O)O a6cf409b43d21a5ad27074c3ce472d45 [0,2,0,0,0,0|1,0,0]=3 13231 B13R0.119 CCCCC(C)OCCSCC(=O)N e20e3503b960e9020a589f8d911083d3 [0,2,0,0,0,0|2,0,0]=4 13232 B13R0.119 CCCCC(O)CNC/C=C/C(=O)O 55fcc6ca086842d8deaa339107d9cbff [0,2,0,0,0,0|0,0,2]=4 13233 B13R0.119 CCCCC(O)CNCC=CC(=O)O 70d50b904447f65c2e5ece89dec5004e [0,2,0,0,0,0|0,0,2]=4 13234 B13R0.119 CCCCC(O)CNCCCC(=O)C a2c59599aa5c6733d01aa2e432e6231e [0,2,0,0,0,0|1,0,0]=3 13235 B13R0.119 CCCCC(O)CNCCCC(=O)N 4d1f0e3c6582c3bd351fcdf66e28ae58 [0,2,0,0,0,0|1,0,0]=3 13236 B13R0.119 CCCCC(O)CNCCCC(C)O 39207001c619d3fea3fb06f92ef7f5a2 [0,2,0,0,0,0|1,0,1]=4 13237 B13R0.119 CCCCC(O)CNCCC[N+](=O)[O-] 7c10ec4bf8c8587f904c62d7d189af6b [0,2,0,0,0,0|1,0,1]=4 13238 B13R0.119 CCCCC(O)CNCCNC(=O)C 81e1de103ee4074dc12a891759b25fe1 [0,2,0,0,0,0|2,0,0]=4 13239 B13R0.119 CCCCC(O)CNCCNC(=O)N 8e63a98780448c1ffe3bde622e572e93 [0,2,0,0,0,0|2,0,0]=4 13240 B13R0.119 CCCCC(O)CNCCOC(=O)C bb1ea337445a9d917aaa0ce94a0144a7 [0,2,0,0,0,0|2,0,0]=4 13241 B13R0.119 CCCCC(O)CNCCSC(=O)C 5544fc7398e8054fedb8d672df7e1eea [0,2,0,0,0,0|2,0,0]=4 13242 B13R0.119 CCCCN(C)CCCCCC(=O)C 056e86056c043223d9b333bd9b533f7c [0,2,0,0,0,0|1,0,0]=3 13243 B13R0.119 CCCCN(C)CCCCCC(=O)N 204de69737e681649de88d743003adfe [0,2,0,0,0,0|1,0,0]=3 13244 B13R0.119 CCCCN(C)CCCCOC(=O)C d3bbcf55fbe3549cfbf5d31b6d03a8ba [0,2,0,0,0,0|2,0,0]=4 13245 B13R0.119 CCCCN(C)CCCCSC(=O)C 47575fe2d0c98e1f4c1a54601a7b3b2c [0,2,0,0,0,0|2,0,0]=4 13246 B13R0.119 CCCCN(C)CCCNCC(=O)N 5073982cc9fb3fb0c025359e78516592 [0,2,0,0,0,0|2,0,0]=4 13247 B13R0.119 CCCCN(C)CCCNCC(=O)O 47151367d4d7ecb897436dbcec018917 [0,2,0,0,0,0|1,0,0]=3 13248 B13R0.119 CCCCN(C)CCNCCC(=O)C 66c62fd8632310aefa46cf0cc3fd1c68 [0,2,0,0,0,0|2,0,0]=4 13249 B13R0.119 CCCCN(C)CCNCCC(=O)N a7cf2b3d3759ab74f93147dd01524f8a [0,2,0,0,0,0|2,0,0]=4 13250 B13R0.119 CCCCN(C)CCNCCC(=O)O 71e9517b39359c9cb03ee032b7ad3b0f [0,2,0,0,0,0|1,0,0]=3 13251 B13R0.119 CCCCN(C)CCOCCC(=O)O b258a351742901eaf0181e758793562b [0,2,0,0,0,0|1,0,0]=3 13252 B13R0.119 CCCC[C@@H](C)NCCCCC(=O)C 244bf571ebc3966a0aa2add1cfc3a913 [0,2,0,0,0,0|1,0,0]=3 13253 B13R0.119 CCCC[C@@H](C)NCCCCC(=O)N a78a9cd21c9340f963474e4e4e9484fe [0,2,0,0,0,0|1,0,0]=3 13254 B13R0.119 CCCC[C@@H](C)NCCCCC(C)O d059085cfe95dc9bd44ea9f67139916f [0,2,0,0,0,0|1,0,1]=4 13255 B13R0.119 CCCC[C@@H](C)NCCCC[C@@H](C)O dfa2279c7216bbb4e3337903dfdf9f16 [0,2,0,0,0,0|1,0,1]=4 13256 B13R0.119 CCCC[C@@H](C)NCCCNC(=O)C 7ab976521e43c1cb28dab82d784178f7 [0,2,0,0,0,0|2,0,0]=4 13257 B13R0.119 CCCC[C@@H](C)NCCCOC(=O)C d267583159ba7ceb9bca0dc6f8822ece [0,2,0,0,0,0|2,0,0]=4 13258 B13R0.119 CCCC[C@@H](C)NCCCSC(=O)C e950eb6a41d0beff380e619a2eb1a150 [0,2,0,0,0,0|2,0,0]=4 13259 B13R0.119 CCCC[C@@H](C)NCCOCC(=O)N 855ae9d4f5e20d649f6a17b7e25aeb0f [0,2,0,0,0,0|2,0,0]=4 13260 B13R0.119 CCCC[C@@H](C)OCCCCC(=O)C 02c9831bf9a93f4ab593caa105becd91 [0,2,0,0,0,0|1,0,0]=3 13261 B13R0.119 CCCC[C@@H](C)OCCCCC(=O)N 2d9c9eee2a01aac3efcdd7cbaa6c82d8 [0,2,0,0,0,0|1,0,0]=3 13262 B13R0.119 CCCC[C@@H](C)OCCCNC(=O)C 759851f98447c4bedc589619e3a5cdfd [0,2,0,0,0,0|2,0,0]=4 13263 B13R0.119 CCCC[C@@H](C)OCCCOC(=O)C c5b9bb43c53fbe1411d7d9e54d9c9546 [0,2,0,0,0,0|2,0,0]=4 13264 B13R0.119 CCCC[C@@H](C)OCCCSC(=O)C 915e17cfcde228efc211fdf35ddd777d [0,2,0,0,0,0|2,0,0]=4 13265 B13R0.119 CCCC[C@@H](C)OCCOCC(=O)N dd0addf89b103320f45aa62506d491e1 [0,2,0,0,0,0|2,0,0]=4 13266 B13R0.119 CCCC[C@@H](C)OCCOCC(=O)O fa9e3eecc18f2a5a9aece2ed00c80563 [0,2,0,0,0,0|1,0,0]=3 13267 B13R0.119 CCCC[C@H](C)OCCCCC(=O)C 8b3a73ac67850d37690fe0f852532dcd [0,2,0,0,0,0|1,0,0]=3 13268 B13R0.119 CCCC[C@H](C)OCCCCC(=O)N 91294b4a87b923deae64d1cf7179ed68 [0,2,0,0,0,0|1,0,0]=3 13269 B13R0.119 CCCC[C@H](C)OCCCNC(=O)C d173ab1b88a8a68622d83355b67876ee [0,2,0,0,0,0|2,0,0]=4 13270 B13R0.119 CCCC[C@H](C)OCCCOC(=O)C f0b61c69d7dd91e9ee6dadb1f3e7d512 [0,2,0,0,0,0|2,0,0]=4 13271 B13R0.119 CCCC[C@H](C)OCCCSC(=O)C 28ac57dcd0b8625cf46ce862bafcb5e2 [0,2,0,0,0,0|2,0,0]=4 13272 B13R0.119 CCCC[C@H](C)OCCOCC(=O)N ffd50d9f006bfad931ed33b92f7c81c5 [0,2,0,0,0,0|2,0,0]=4 13273 B13R0.119 CCCC[C@H](C)OCCOCC(=O)O 20366b4c6e26e3bbf3884015ab34a112 [0,2,0,0,0,0|1,0,0]=3 13274 B13R0.119 CCCNC(=O)CCCCCC(=O)C aab774b309d69dafda44ad52207fa9ea [0,2,0,0,0,0|1,0,1]=4 13275 B13R0.119 CCCNC(=O)CCCNCC(=O)O 5fe33fbd7ab2685007ecd6a618ff42e6 [0,2,0,0,0,0|1,0,1]=4 13276 B13R0.119 CCCNC(=O)CCCOCC(=O)O a9d17fc98932650902a7f55dbf5077e4 [0,2,0,0,0,0|1,0,1]=4 13277 B13R0.119 CCCNC(=O)CNCCCC(=O)O c1f15ff949c3a97831e4e81a277e7439 [0,2,0,0,0,0|1,0,1]=4 13278 B13R0.119 CCCNC(=O)NCCCCC(=O)O fa62a21f29aeb55024c5b341322c8427 [0,2,0,0,0,0|1,0,1]=4 13279 B13R0.119 CCCNC(=S)NCCCCC(=O)O 7711c053b2ca94797cf454f52ed57420 [0,2,0,0,0,0|1,0,1]=4 13280 B13R0.119 CCCOC(=O)CCOCCC(=O)O a93de186f9119a3614e3bcc1fd0b755f [0,2,0,0,0,0|1,0,1]=4 13281 B13R0.119 CCCOC(=O)CNCCCC(=O)O aad3b8ceef3e57a218d716a76f0e0987 [0,2,0,0,0,0|1,0,1]=4 13282 B13R0.119 CCCOC(C)CCCCCC(=O)O 90562734e8cea4e673ac41abe750fc00 [0,2,0,0,0,0|0,0,0]=2 13283 B13R0.119 CCOCC(C)COCCCC(=O)C 96e542e23024ee042520a7b6d494e817 [0,2,0,0,0,0|2,0,0]=4 13284 B13R0.119 CCOCC(C)COCCCC(=O)N b01f9ccc3a82603aab95647f7272beef [0,2,0,0,0,0|2,0,0]=4 13285 B13R0.119 CCOCC(C)OCCCCC(=O)C ab3f2ddd69b4064a7f3adc427c2ed74b [0,2,0,0,0,0|2,0,0]=4 13286 B13R0.119 CCOCC(C)OCCCCC(=O)N 98988ca27fd2f825f61c7a8882bedc90 [0,2,0,0,0,0|2,0,0]=4 13287 B13R0.119 CCOCC(C)OCCOCC(=O)O a3810922a8b80f59576528682aef7af7 [0,2,0,0,0,0|2,0,0]=4 13288 B13R0.119 CCOCC(O)CNCCCC(=O)C 3fcf0248f7441fdad1a2559b79b04270 [0,2,0,0,0,0|2,0,0]=4 13289 B13R0.119 CCOCC(O)CNCCCC(=O)N f60807673c171671cdcc60e64416696a [0,2,0,0,0,0|2,0,0]=4 13290 B13R0.119 CCOCC(O)CNCCCC(=O)O 39c027e83da923bc85f89a6366f214b3 [0,2,0,0,0,0|1,0,0]=3 13291 B13R0.119 CCOCN(C)CCOCCC(=O)O 25fd968daaa514e6939eef79ee119887 [0,2,0,0,0,0|2,0,0]=4 13292 B13R0.119 CN(CCCF)CCOCCC(=O)O 4a0f11158564f0b1dceb34f47ebf1534 [0,2,0,0,0,0|2,0,0]=4 13293 B13R0.119 CN(CCCO)CCCCCC(=O)N 72b5dd664c8abac51cad29f0c4d49626 [0,2,0,0,0,0|2,0,0]=4 13294 B13R0.119 CN(CCCO)CCCOCC(=O)O dab393bbb8bc39096f8055ab89a10d5b [0,2,0,0,0,0|2,0,0]=4 13295 B13R0.119 CN(CCCO)CCOCCC(=O)O 99e8e8a194311c3268686394f26d0daf [0,2,0,0,0,0|2,0,0]=4 13296 B13R0.119 CN(CCCS)CCOCCC(=O)O c170e6aca6a7c82112936aadb7e0cf95 [0,2,0,0,0,0|2,0,0]=4 13297 B13R0.119 COCCC(C)OCCCCC(=O)C 5d2b59630eee8d4bf67499d04fecc562 [0,2,0,0,0,0|2,0,0]=4 13298 B13R0.119 COCCC(C)OCCCCC(=O)N e9197858dffe50e38587a2fdde53293a [0,2,0,0,0,0|2,0,0]=4 13299 B13R0.119 COCCC(C)OCCOCC(=O)O 908b7efd9e3cd884a392b800a342f10d [0,2,0,0,0,0|2,0,0]=4 13300 B13R0.119 COCCN(C)CCCCCC(=O)C 8ddc0089dbafed415a9efbca3095db65 [0,2,0,0,0,0|2,0,0]=4 13301 B13R0.119 COCCN(C)CCCCCC(=O)N da38906c9680659b22e8cb231cc91f6c [0,2,0,0,0,0|2,0,0]=4 13302 B13R0.119 COCCN(C)CCOCCC(=O)O 42c94026e678120f14067b49ec6215fb [0,2,0,0,0,0|2,0,0]=4 13303 B13R0.119 CSCCC(=O)CNCCCC(=O)O 8f1c6c220bf6eb4e5f52f059f99e8bfb [0,2,0,0,0,0|1,0,1]=4 13304 B13R0.119 CSCCC(C)OCCCCC(=O)C 6b59ef487c444dfe2d4e9be781fe2b64 [0,2,0,0,0,0|2,0,0]=4 13305 B13R0.119 CSCCC(C)OCCCCC(=O)N 7dc5351ef2028cfc36fe04aa0f6224da [0,2,0,0,0,0|2,0,0]=4 13306 B13R0.119 CSCCC(C)OCCOCC(=O)O dd916defe6c30dd8a4e1f93252fc42b6 [0,2,0,0,0,0|2,0,0]=4 13307 B13R0.119 CSCCN(C)CCCCCC(=O)C 89f72df2c6658f0caf043de34a03b859 [0,2,0,0,0,0|2,0,0]=4 13308 B13R0.119 CSCCN(C)CCCCCC(=O)N d86df3c3719a0a6486bceecabc585702 [0,2,0,0,0,0|2,0,0]=4 13309 B13R0.119 CSCCN(C)CCCCCC(=O)O 1c1cee8ea600b98c61cb80412be04e68 [0,2,0,0,0,0|1,0,0]=3 13310 B13R0.119 CSCCN(C)CCCOCC(=O)O 8ba552374e96265ead98d5b56fe707fb [0,2,0,0,0,0|2,0,0]=4 13311 B13R0.119 CSCCN(C)CCOCCC(=O)O 4a255e6827cb1bde7f0ca872ab7f8b57 [0,2,0,0,0,0|2,0,0]=4 13312 B13R0.119 CSCOC(C)CCCCCC(=O)O f07d042f97efa2dc6b80cada16aafc8e [0,2,0,0,0,0|1,0,0]=3 13313 B13R0.119 C[C@H](CCCO)CNCCCC(=O)N 00104597c78b4f3417dcdeeb0cde048b [0,2,0,0,0,0|2,0,0]=4 13314 B13R0.119 C[C@H](CCCO)CNCCCC(=O)O 949e74bae01ade6cc1e60a9ec4c05085 [0,2,0,0,0,0|1,0,0]=3 13315 B13R0.119 C[C@H](CCCO)NCCCCC(=O)N 8fcfaf9a5027244fc2a3e7ae6f5fefd0 [0,2,0,0,0,0|2,0,0]=4 13316 B13R0.119 C[C@H](CCCO)NCCCCC(=O)O ba05ae483cba61aaf54411c42cd90799 [0,2,0,0,0,0|1,0,0]=3 13317 B13R0.119 C[C@H](CCCO)NCCOCC(=O)O 582e8a2bebf2987f5c6ad5cc5b3c6a8e [0,2,0,0,0,0|2,0,0]=4 13318 B13R0.147 C#CC(=O)NCCCCCCCCC 8ca0876f7eb2d8d4da8a3271c8ab4668 [0,2,0,0,0,0|1,0,0]=3 13319 B13R0.147 C#CC(=O)NCCCCCCCCO 504084f924f47d47c6a1c182daa0da66 [0,2,0,0,0,0|2,0,0]=4 13320 B13R0.147 C#CC(O)CCCCCNCCCC 3a2c4a489dcbc964aaf015cd19cdf208 [0,2,0,0,0,0|1,0,1]=4 13321 B13R0.147 C#CCCCCCCNCC(=O)CO 1f3c5d302655bad689478639b0a227e8 [0,2,0,0,0,0|0,0,2]=4 13322 B13R0.147 C#CCCCCCCNCC(=O)NO fddf7ad7c8fb87b6892ef1df3990dc24 [0,2,0,0,0,0|0,0,2]=4 13323 B13R0.147 C#CCCCCCCNCC(=O)OC 7c5b6f84fd323de12188248a10f1f965 [0,2,0,0,0,0|0,0,2]=4 13324 B13R0.147 C#CCCCCCCOCC(=O)OC 123852f7b7f20f28aae245564def7aa2 [0,2,0,0,0,0|0,0,2]=4 13325 B13R0.147 C#CCCCCCNCCC(=O)NO e5d522af99482da5a15e7feb85274509 [0,2,0,0,0,0|0,0,2]=4 13326 B13R0.147 C#CCCCCCNCCC(=O)OC f572026b5d0d81042139362d8f098cce [0,2,0,0,0,0|0,0,2]=4 13327 B13R0.147 C#CCCCCCOCCC(=O)OC 00835eaa0f6c0fabd68713b570851b36 [0,2,0,0,0,0|0,0,2]=4 13328 B13R0.147 C#CCCCCNCCCC(=O)OC f679b2c0a66e1827c72bf16f7898b093 [0,2,0,0,0,0|0,0,2]=4 13329 B13R0.147 C#CCCCCOCCCC(=O)OC 4383617005d8c10d45ced919b8a03d5a [0,2,0,0,0,0|0,0,2]=4 13330 B13R0.147 C#CCCCNCCCCC(=O)OC cfa661103462ea3ac12f07bc5dfd2537 [0,2,0,0,0,0|0,0,2]=4 13331 B13R0.147 C#CCCCOCCCCC(=O)OC 3383b7261f911facb7f2a7d9883c90df [0,2,0,0,0,0|0,0,2]=4 13332 B13R0.147 C#CCCNCCCCCC(=O)OC 39d9d8a5f5f81aa09b35fd36a5b3ef11 [0,2,0,0,0,0|0,0,2]=4 13333 B13R0.147 C#CCCOCCCCCC(=O)OC 8f17e3cdae2e14d9b2e162e49fd01216 [0,2,0,0,0,0|0,0,2]=4 13334 B13R0.147 C#CCNCCCCCCC(=O)OC 09b1fe887f2709bfc2067693057fa783 [0,2,0,0,0,0|0,0,2]=4 13335 B13R0.147 C#CCOCCCCCCC(=O)OC 786ac421fe49082a353d778ec758a7e1 [0,2,0,0,0,0|0,0,2]=4 13336 B13R0.147 C/C=C/CCCOCCCC(=O)OC 43493ccd354a14c26adc1f1ad3d94ee8 [0,2,0,0,0,0|0,0,2]=4 13337 B13R0.147 C/C=C/CCOCCCCC(=O)OC 46f874f0d7dbed16e6e492731c23bbee [0,2,0,0,0,0|0,0,2]=4 13338 B13R0.147 C/C=C/CNCCCCCC(=O)OC 3376385cff3f6005b927f4c1d9ab661f [0,2,0,0,0,0|0,0,2]=4 13339 B13R0.147 C/C=C/COCCCCCC(=O)OC 1911d6460139793a2f3081405bd3327c [0,2,0,0,0,0|0,0,2]=4 13340 B13R0.147 C/C=C\CCCNCCCC(=O)OC 292175a050b28dacc5760071b4b540ab [0,2,0,0,0,0|0,0,2]=4 13341 B13R0.147 C/C=C\CCCOCCCC(=O)OC dd0fc0f59d869923bcc799d114f56d4c [0,2,0,0,0,0|0,0,2]=4 13342 B13R0.147 C/C=C\CNCCCCCC(=O)OC cb650e2a855bd688eebe8bc21614e123 [0,2,0,0,0,0|0,0,2]=4 13343 B13R0.147 C/C=C\COCCCCCC(=O)OC 89884dd8a0a33fc7719df130c3a75829 [0,2,0,0,0,0|0,0,2]=4 13344 B13R0.147 C=C(C#N)CNCCCCCCCC e128e50db641c8aed7550b61cae3329f [0,2,0,0,0,0|2,0,0]=4 13345 B13R0.147 C=C(C#N)COCCCCCCCC 2dd8359ef3b3e52b61120f6257acf9e6 [0,2,0,0,0,0|2,0,0]=4 13346 B13R0.147 C=C(C=O)OCCCCCCCCC 172719dc87558d811824fd9ac83305b7 [0,2,0,0,0,0|1,0,0]=3 13347 B13R0.147 C=C(CC)CNCCCCCCCC 93961cf34fa0de3d4db720e799423f33 [0,2,0,0,0,0|2,0,0]=4 13348 B13R0.147 C=C(CC)COCCCCCCCC 48ab808801c64e2af84ddf379a472aa3 [0,2,0,0,0,0|2,0,0]=4 13349 B13R0.147 C=C(CNCCCCCCCC)OC 8148c8fd7fd57ec38c270350f959b7e4 [0,2,0,0,0,0|1,0,0]=3 13350 B13R0.147 C=C(CNCCCCCCCO)OC 2689adbc33429959229dac66b9323f17 [0,2,0,0,0,0|2,0,0]=4 13351 B13R0.147 C=C(CNCCCCSCCC)OC 2bed12e16e443f205d73eef01f276670 [0,2,0,0,0,0|2,0,0]=4 13352 B13R0.147 C=C(CNCCCOCCCC)OC cfb4bdcbff8526051134ab5fd1995f5d [0,2,0,0,0,0|2,0,0]=4 13353 B13R0.147 C=C(CO)CNCCCCCCCC 3f774da4c78ea1084a02bdd4474e944f [0,2,0,0,0,0|1,0,0]=3 13354 B13R0.147 C=C(CO)CNCCCCCCCO 92a666f829953fd93a71153bc560325d [0,2,0,0,0,0|2,0,0]=4 13355 B13R0.147 C=C(CO)CNCCCCSCCC 971ac9171e244b0adbd53da0cbabaa61 [0,2,0,0,0,0|2,0,0]=4 13356 B13R0.147 C=C(CO)CNCCCOCCCC b751e19ee3f24d1c29b8ffd0421669ae [0,2,0,0,0,0|2,0,0]=4 13357 B13R0.147 C=C(COCCCCCCCC)OC 179b45e902e05e6702472d8c1d56a255 [0,2,0,0,0,0|1,0,0]=3 13358 B13R0.147 C=C(COCCCCCCOC)OC fc6bb6cf56311f1af2aa59c235b1b880 [0,2,0,0,0,0|2,0,0]=4 13359 B13R0.147 C=C(COCCCOCCCC)OC 7c628e6f57205a24618f595b1717c4f0 [0,2,0,0,0,0|2,0,0]=4 13360 B13R0.147 C=C(COCCOCCCCC)OC 19c75dd9c583f74e7440879df0be878f [0,2,0,0,0,0|2,0,0]=4 13361 B13R0.147 C=CC(=O)CCCNCCCCCC d6f0b15c51beb10fb2b8e510e9e4b798 [0,2,0,0,0,0|1,0,0]=3 13362 B13R0.147 C=CC(=O)CCCNCCCCCCl fcf49318fd9770dd180c3b0ceb765955 [0,2,0,0,0,0|2,0,0]=4 13363 B13R0.147 C=CC(=O)CCCNCCCCCO 71ba0eaa54aef34f3c81d3c21779f4c3 [0,2,0,0,0,0|2,0,0]=4 13364 B13R0.147 C=CC(=O)CCCNCCCCOC 9bfbdbd80735e5f16374210a040813e2 [0,2,0,0,0,0|2,0,0]=4 13365 B13R0.147 C=CC(=O)CCCNCCCCSC 47ebee0e05f5555ca7d228972dea89fd [0,2,0,0,0,0|2,0,0]=4 13366 B13R0.147 C=CC(=O)CCCNCCCOCC 99abc4dec39b563b8a332a306951624e [0,2,0,0,0,0|2,0,0]=4 13367 B13R0.147 C=CC(=O)CCCNCCOCCC c53974d20b411a975079d52843532bcc [0,2,0,0,0,0|2,0,0]=4 13368 B13R0.147 C=CC(=O)CCCOCCCCCC 86276c22f91ecd7c31f7655ad8b7b906 [0,2,0,0,0,0|1,0,0]=3 13369 B13R0.147 C=CC(=O)CCCOCCCCOC b356b0a8c8aeb8f2d0c76eb05d8686f3 [0,2,0,0,0,0|2,0,0]=4 13370 B13R0.147 C=CC(=O)CCCOCCCCSC b97b52ba3a6b84349ed0025dc9a98694 [0,2,0,0,0,0|2,0,0]=4 13371 B13R0.147 C=CC(=O)CCCOCCCOCC a2edd966a187c6597a610ed2f9403dfc [0,2,0,0,0,0|2,0,0]=4 13372 B13R0.147 C=CC(=O)CCCOCCCSCC 6b5029f5eeaaa926ef784d6bec81d497 [0,2,0,0,0,0|2,0,0]=4 13373 B13R0.147 C=CC(=O)CCCOCCOCCC 19fba27f28d909260ad3b0ceddaed670 [0,2,0,0,0,0|2,0,0]=4 13374 B13R0.147 C=CC(=O)CCCOCCSCCC 1167fe660bcd251167002ca4b95c6cc3 [0,2,0,0,0,0|2,0,0]=4 13375 B13R0.147 C=CC(=O)NCCCCCCCCC 561c2602b0fd35c1b58e429d8d7ed306 [0,2,0,0,0,0|1,0,0]=3 13376 B13R0.147 C=CC(=O)NCCCCCCCCO ecc8071b775958046edb1ee1d41b1dbc [0,2,0,0,0,0|2,0,0]=4 13377 B13R0.147 C=CC(=O)NCCCCOCCCC bbdbd20394d566fa1e0da69491c8b517 [0,2,0,0,0,0|2,0,0]=4 13378 B13R0.147 C=CC(=O)NCCCOCCCCC 42e82d07937dcfa1a609487ff6faf3e3 [0,2,0,0,0,0|2,0,0]=4 13379 B13R0.147 C=CC(=O)NCCNCCCCCC 1d7bbdf1beed6757321b449fe2cda4b2 [0,2,0,0,0,0|2,0,0]=4 13380 B13R0.147 C=CC(=O)NCCOCCCCCC bdd3e5276a708526333de368185ac9e0 [0,2,0,0,0,0|2,0,0]=4 13381 B13R0.147 C=CC(=O)NCOCCCCCCC 6238eab12cc4a306f2fd03d0e173b5ad [0,2,0,0,0,0|2,0,0]=4 13382 B13R0.147 C=CC(=O)OCCCCCCOCC c2cfabf46fc551d55a25d2da1b6f3c19 [0,2,0,0,0,0|2,0,0]=4 13383 B13R0.147 C=CC(=O)OCCCCCOCCC d8f543fba31f0f5c847ba555d75e61de [0,2,0,0,0,0|2,0,0]=4 13384 B13R0.147 C=CC(=O)OCCCCOCCCC 3a0a9f089a29a1b04233757ee41286cf [0,2,0,0,0,0|2,0,0]=4 13385 B13R0.147 C=CC(=O)OCCNCCCCCC b4df6efb147531ef0b9f5756e9ec8a26 [0,2,0,0,0,0|2,0,0]=4 13386 B13R0.147 C=CC(=O)OCCOCCCCCC 3e4b7c2374012bd16bdbfc688d9b44b5 [0,2,0,0,0,0|2,0,0]=4 13387 B13R0.147 C=CC(O)CNCCCCCCCC b949d2977ffe9a4d1d4f87d98feefa71 [0,2,0,0,0,0|1,0,1]=4 13388 B13R0.147 C=CCCCCCCNCC(=O)NO f4586777657480980c132b811a5e444d [0,2,0,0,0,0|0,0,2]=4 13389 B13R0.147 C=CCCCCCCNCC(=O)OC bc6993a9f15cb7a8a251cead61d029cd [0,2,0,0,0,0|0,0,2]=4 13390 B13R0.147 C=CCCCCCCOCC(=O)OC 6f489cdfc096a6a016b833330a6dac3c [0,2,0,0,0,0|0,0,2]=4 13391 B13R0.147 C=CCCCCCNCCC(=O)NO 25656437fe18c9d5ab747e7ea09b8605 [0,2,0,0,0,0|0,0,2]=4 13392 B13R0.147 C=CCCCCCNCCC(=O)OC 0d6f0525262c78c0188ce1a5545889fe [0,2,0,0,0,0|0,0,2]=4 13393 B13R0.147 C=CCCCCCOCCC(=O)OC 50c6e9795f28c3a60ab4cedb13ec45a8 [0,2,0,0,0,0|0,0,2]=4 13394 B13R0.147 C=CCCCCNCCCC(=O)OC dce61a23b2d301cab23242e4858d853e [0,2,0,0,0,0|0,0,2]=4 13395 B13R0.147 C=CCCCCOCCCC(=O)OC 107933a92097805ad9162a8053d77b6a [0,2,0,0,0,0|0,0,2]=4 13396 B13R0.147 C=CCCCNCCCCC(=O)OC dc440899ad0886dfa5e84678543d3cc8 [0,2,0,0,0,0|0,0,2]=4 13397 B13R0.147 C=CCCCOCCCCC(=O)OC ebf43ac82b642d69958deb965e7f66d6 [0,2,0,0,0,0|0,0,2]=4 13398 B13R0.147 C=CCCNCCCCCC(=O)OC faef26559166303ae3ca8d1b97afa6f9 [0,2,0,0,0,0|0,0,2]=4 13399 B13R0.147 C=CCCOCCCCCC(=O)OC 8a0b7d04b666eacc747e28edc6bf9a09 [0,2,0,0,0,0|0,0,2]=4 13400 B13R0.147 C=CCNCCCCCCC(=O)OC 915573df6dd4e753248adf70aa77c609 [0,2,0,0,0,0|0,0,2]=4 13401 B13R0.147 C=CCOCCCCCCC(=O)OC 3c85ae3a9b9a35cce313bfe3487a1ff8 [0,2,0,0,0,0|0,0,2]=4 13402 B13R0.147 CC#CCCCOCCCC(=O)OC c39fb01d7a8c1e431bec645d05bd8a76 [0,2,0,0,0,0|0,0,2]=4 13403 B13R0.147 CC#CCCOCCCCC(=O)OC 8526370ae88849b024642d32dc40fa4f [0,2,0,0,0,0|0,0,2]=4 13404 B13R0.147 CC#CCNCCCCCC(=O)OC 811b3f7a6ce0495b37b0cc2ce92e31aa [0,2,0,0,0,0|0,0,2]=4 13405 B13R0.147 CC#CCOCCCCCC(=O)OC 8d3b9334c20a09be801a5ea800c4e5a6 [0,2,0,0,0,0|0,0,2]=4 13406 B13R0.147 CC/C=C/CCOCCCC(=O)OC 17ec2460f2289d1b69182208eadf052d [0,2,0,0,0,0|0,0,2]=4 13407 B13R0.147 CC/C=C/CNCCCCC(=O)OC 66c2e0c443c1acf07998452d7ba3abb1 [0,2,0,0,0,0|0,0,2]=4 13408 B13R0.147 CC/C=C/COCCCCC(=O)OC 69679cba97c3edfa3c6992565066a143 [0,2,0,0,0,0|0,0,2]=4 13409 B13R0.147 CC/C=C\CCCCOCC(=O)OC 1048987753bc07b39e8f47d9c29d81d3 [0,2,0,0,0,0|0,0,2]=4 13410 B13R0.147 CC/C=C\CCCOCCC(=O)OC 9fdc56db278937a3f1cda06f07446c35 [0,2,0,0,0,0|0,0,2]=4 13411 B13R0.147 CC/C=C\CCNCCCC(=O)OC 9f5e24f5a04cee0151eb31bf0c55ee62 [0,2,0,0,0,0|0,0,2]=4 13412 B13R0.147 CC/C=C\CCOCCCC(=O)OC 3240542a693635c7b93f758bb04c6ce5 [0,2,0,0,0,0|0,0,2]=4 13413 B13R0.147 CC/C=C\COCCCCC(=O)OC 647a4c3fdb450983093104b3e104eeda [0,2,0,0,0,0|0,0,2]=4 13414 B13R0.147 CC=CCCCOCCCC(=O)OC 471a204673afd692cb911531a16ddd5f [0,2,0,0,0,0|0,0,2]=4 13415 B13R0.147 CC=CCNCCCCCC(=O)OC 9cfed13bd2fbf93f7d12c448f707d7ab [0,2,0,0,0,0|0,0,2]=4 13416 B13R0.147 CC=CCOCCCCCC(=O)OC ffbc76ac6d40b5a42529b9b6b5c8fccb [0,2,0,0,0,0|0,0,2]=4 13417 B13R0.147 CCC#CCCOCCCC(=O)OC 840d90bafaf759f4f3f30c8c5ccc9e42 [0,2,0,0,0,0|0,0,2]=4 13418 B13R0.147 CCC#CCOCCCCC(=O)OC 7b70909575eb88273cdab027d0c8f680 [0,2,0,0,0,0|0,0,2]=4 13419 B13R0.147 CCC(=O)CCCCNCCCCCl c028b0e1b08ad4843f02a4eb0294464a [0,2,0,0,0,0|2,0,0]=4 13420 B13R0.147 CCC(=O)CCCCNCCCCO 9aab81fbf8ee62e9dc7f07cc813bf215 [0,2,0,0,0,0|2,0,0]=4 13421 B13R0.147 CCC(=O)CCCCNCCCCS 3ca6b7cdba837ac92d0d54d43a870f56 [0,2,0,0,0,0|2,0,0]=4 13422 B13R0.147 CCC(=O)CCCCNCCCOC 4b8fd17dd4a9fb601763b1301f0026f8 [0,2,0,0,0,0|2,0,0]=4 13423 B13R0.147 CCC(=O)CCCCNCCCSC 745dc92127f953bf54f6ae8b13889f65 [0,2,0,0,0,0|2,0,0]=4 13424 B13R0.147 CCC(=O)CCCCOCCCCF 19e4455035c56df7b7873ad046b4f229 [0,2,0,0,0,0|2,0,0]=4 13425 B13R0.147 CCC(=O)CCCCOCCCCS 65e73c829f4afc927af3b24754f177e7 [0,2,0,0,0,0|2,0,0]=4 13426 B13R0.147 CCC(=O)CCCCOCCCOC 76eee3ea1a1a009bce7f7523d922cd8f [0,2,0,0,0,0|2,0,0]=4 13427 B13R0.147 CCC(=O)CCCCOCCCSC 76df56dbc544bfa8772a9352a06a088e [0,2,0,0,0,0|2,0,0]=4 13428 B13R0.147 CCC(=O)CNCCCCCCCO bf1c6d30d4e69688a6b85c3bc08a1ec8 [0,2,0,0,0,0|2,0,0]=4 13429 B13R0.147 CCC(=O)COCCCCCCOC 76cd87b15aa3155e7a28600550db72a4 [0,2,0,0,0,0|2,0,0]=4 13430 B13R0.147 CCC(=O)NCCCCCCCCO 1cb8c1f718a6886d98e99cd661e4760c [0,2,0,0,0,0|2,0,0]=4 13431 B13R0.147 CCC/C=C/CCCOCC(=O)OC 94c145a76b69f639541f9691c61bc10b [0,2,0,0,0,0|0,0,2]=4 13432 B13R0.147 CCC/C=C/CNCCCC(=O)OC 960602e50c7a1d26ce8a750a37b6ca7c [0,2,0,0,0,0|0,0,2]=4 13433 B13R0.147 CCC/C=C/COCCCC(=O)OC cbf6999ad7208ebf69fd59479b13042f [0,2,0,0,0,0|0,0,2]=4 13434 B13R0.147 CCC/C=C\CCCOCC(=O)OC 97a2859f02e6d4bc437cc3398bfeb3d8 [0,2,0,0,0,0|0,0,2]=4 13435 B13R0.147 CCC/C=C\CCOCCC(=O)OC ad07a2bbccd5aa7cdac20d7492486295 [0,2,0,0,0,0|0,0,2]=4 13436 B13R0.147 CCC/C=C\CNCCCC(=O)OC 98396227ef929a57d0734141f281393f [0,2,0,0,0,0|0,0,2]=4 13437 B13R0.147 CCC/C=C\COCCCC(=O)OC 9b1bb5ee55b6eacc3ea45d031875aa16 [0,2,0,0,0,0|0,0,2]=4 13438 B13R0.147 CCCC#CCCOCCC(=O)OC ba0f4a3662f9d07171f8779a794dbd29 [0,2,0,0,0,0|0,0,2]=4 13439 B13R0.147 CCCC#CCOCCCC(=O)OC fa3d3ac042783fd70590cadbf9ffec6c [0,2,0,0,0,0|0,0,2]=4 13440 B13R0.147 CCCC/C=C/CNCCC(=O)NO 562a1d3e64e7f03d8957eb0b807d73b5 [0,2,0,0,0,0|0,0,2]=4 13441 B13R0.147 CCCC/C=C/CNCCC(=O)OC 5f9f49ff9a3927acb4bd41d294a5c5f7 [0,2,0,0,0,0|0,0,2]=4 13442 B13R0.147 CCCC/C=C/COCCC(=O)OC 4ead7fb8bc3840d444b5381694569646 [0,2,0,0,0,0|0,0,2]=4 13443 B13R0.147 CCCC/C=C\CCOCC(=O)OC 647f3fb6b9fb857c1ee949f0aaee7a7b [0,2,0,0,0,0|0,0,2]=4 13444 B13R0.147 CCCC/C=C\CNCCC(=O)NO 5b940d5f820fdbc6fe474e37661def0e [0,2,0,0,0,0|0,0,2]=4 13445 B13R0.147 CCCC/C=C\CNCCC(=O)OC b714ed1e2633a79157032a11611c7304 [0,2,0,0,0,0|0,0,2]=4 13446 B13R0.147 CCCC/C=C\COCCC(=O)OC d047b7d5082dd31522067f9e91773668 [0,2,0,0,0,0|0,0,2]=4 13447 B13R0.147 CCCCC#CCCOCC(=O)OC b05bf0972f110d2b67651f58d582b7a6 [0,2,0,0,0,0|0,0,2]=4 13448 B13R0.147 CCCCC#CCOCCC(=O)OC b30b5032f2226487b8a1b4fb1fb42210 [0,2,0,0,0,0|0,0,2]=4 13449 B13R0.147 CCCCC/C=C/COCC(=O)OC 768a84171437a38e10ec8b7710c94731 [0,2,0,0,0,0|0,0,2]=4 13450 B13R0.147 CCCCCC#CCOCC(=O)OC 0f815a0634cf1143ff8296ea96b45088 [0,2,0,0,0,0|0,0,2]=4 13451 B13R0.147 CCCCCCCCCCN(C)C=O 82f6c324db670ca9d0c004e79ec60e78 [0,2,0,0,0,0|2,0,0]=4 13452 B13R0.147 CCCCCCCCCCN(C)CO 348e9b3cba5235ffbf669bbfe6bc6e4d [0,2,0,0,0,0|2,0,0]=4 13453 B13R0.147 CCCCCCCCCNC(=O)C=O f6610f78cbc8373a5d8eaa804e63ca0e [0,2,0,0,0,0|0,0,1]=3 13454 B13R0.147 CCCCCCCCCNC(=O)CC 22ef5d3798469cc75ce8300df7dac3ff [0,2,0,0,0,0|1,0,0]=3 13455 B13R0.147 CCCCCCCCCNC(=O)CF 55b238b89cbabebda54ac6f90a2f593f [0,2,0,0,0,0|1,0,0]=3 13456 B13R0.147 CCCCCCCCCNC(=O)CO 92c25d5e3b910d35b28c819015c37d24 [0,2,0,0,0,0|0,0,0]=2 13457 B13R0.147 CCCCCCCCCNC(=O)CS eb36a40d539976cbe2168f2f74abeadf [0,2,0,0,0,0|0,1,0]=3 13458 B13R0.147 CCCCCCCCCNC(C)C=O 6da36e5d19937bebb2882503fe2a720f [0,2,0,0,0,0|1,0,1]=4 13459 B13R0.147 CCCCCCCCCNC(C)CO e615512f763ca358e8ca8dbc5a1e4819 [0,2,0,0,0,0|1,0,1]=4 13460 B13R0.147 CCCCCCCCCN[C@@H](C)CO 04d33e16dfc697b387400370e5753bd4 [0,2,0,0,0,0|1,0,1]=4 13461 B13R0.147 CCCCCCCCCN[C@H](C)C=O b8b5d97c73c96206b66e70c26e40b68c [0,2,0,0,0,0|1,0,1]=4 13462 B13R0.147 CCCCCCCCCN[C@H](C)CO e0542c8aa4e021605f5df5d77cbe7605 [0,2,0,0,0,0|1,0,1]=4 13463 B13R0.147 CCCCCCCCCOC(C)C=O 185d406105a69023fd5732c4571ddcdd [0,2,0,0,0,0|1,0,1]=4 13464 B13R0.147 CCCCCCCCCO[C@H](C)C=O d48bc04d771a4d886a6d14a8ac7765cb [0,2,0,0,0,0|1,0,1]=4 13465 B13R0.147 CCCCCCCCNC/C(=C/Cl)/Cl 35216117d46be6297ce27905ac8fb121 [0,2,0,0,0,0|2,0,0]=4 13466 B13R0.147 CCCCCCCCNCC(=O)CC baf0ee8c7f5c169c254b280e2cc7130e [0,2,0,0,0,0|1,0,0]=3 13467 B13R0.147 CCCCCCCCNCC(=O)CO f586ce7a669e24502f466e4e7886aee3 [0,2,0,0,0,0|0,0,0]=2 13468 B13R0.147 CCCCCCCCNCC(=O)NC 8d3185a51a7f12cf803f072615487cc5 [0,2,0,0,0,0|1,0,0]=3 13469 B13R0.147 CCCCCCCCNCC(=O)NO ff56059b567ccba4cc7bbd233161257b [0,2,0,0,0,0|0,0,0]=2 13470 B13R0.147 CCCCCCCCNCC(=O)OC 2ae9ea9c59c8976c9984601465b5b02d [0,2,0,0,0,0|0,0,0]=2 13471 B13R0.147 CCCCCCCCNCC(C)CO 9aefe401d73daff7eb00de7477219dd8 [0,2,0,0,0,0|1,0,1]=4 13472 B13R0.147 CCCCCCCCNCC(C)OC 83013ee6c033a4a80cde4f3145dd7c0d [0,2,0,0,0,0|1,0,1]=4 13473 B13R0.147 CCCCCCCCNCC(F)CO 98129e1a220b7a6ab3c3bbd52bf01fd1 [0,2,0,0,0,0|1,0,1]=4 13474 B13R0.147 CCCCCCCCNCC(O)CC 2ab834300d0a7e181771499d51a89b57 [0,2,0,0,0,0|1,0,1]=4 13475 B13R0.147 CCCCCCCCNCC(O)CF 5005f9fd70cfe3c4e15e043b3468a581 [0,2,0,0,0,0|1,0,1]=4 13476 B13R0.147 CCCCCCCCNCC(O)CO 374b79ceabc57d3b98e6d4d0375a6698 [0,2,0,0,0,0|0,0,2]=4 13477 B13R0.147 CCCCCCCCNC[C@@H](C)CO 95cf363db8406396abd18326da7b745f [0,2,0,0,0,0|1,0,1]=4 13478 B13R0.147 CCCCCCCCNC[C@@H](C)OC be6a2a5119af4bcf38750e6264d16035 [0,2,0,0,0,0|1,0,1]=4 13479 B13R0.147 CCCCCCCCNC[C@@H](F)CO 4a2f58eb388e6836f0e5e4c638f657e2 [0,2,0,0,0,0|1,0,1]=4 13480 B13R0.147 CCCCCCCCNC[C@@H](O)CO 7a82ffae7f4b34231269482a75272373 [0,2,0,0,0,0|0,0,2]=4 13481 B13R0.147 CCCCCCCCNC[C@H](C)CO 607e12a1ef01df2d5207c8bfde50bf30 [0,2,0,0,0,0|1,0,1]=4 13482 B13R0.147 CCCCCCCCNC[C@H](C)OC 9960446797c2948b089200a9cd030b79 [0,2,0,0,0,0|1,0,1]=4 13483 B13R0.147 CCCCCCCCNC[C@H](F)CO 829bae360fd8b3e7f52474c1bddc9bbb [0,2,0,0,0,0|1,0,1]=4 13484 B13R0.147 CCCCCCCCNC[C@H](O)CC bea6baae13f6e8e4bea251bed0a0b265 [0,2,0,0,0,0|1,0,1]=4 13485 B13R0.147 CCCCCCCCNC[C@H](O)CO c0a89ce2312cb7d2e7e4a842dc6e9a16 [0,2,0,0,0,0|0,0,2]=4 13486 B13R0.147 CCCCCCCCOC/C(=C/Cl)/Cl bb42c4a8014483374b158783d23c7a8c [0,2,0,0,0,0|2,0,0]=4 13487 B13R0.147 CCCCCCCCOC/C(=C/I)/C cffea21b7c40e941f6791ad1985a72f9 [0,2,0,0,0,0|2,0,0]=4 13488 B13R0.147 CCCCCCCCOCC(=CI)C ae43856b042968b33b1c0e2533174509 [0,2,0,0,0,0|2,0,0]=4 13489 B13R0.147 CCCCCCCCOCC(=O)CC 482deb618797c21132365b461ba03a20 [0,2,0,0,0,0|1,0,0]=3 13490 B13R0.147 CCCCCCCCOCC(=O)NC 3888d2e6bba978261ca322ec2d0e0155 [0,2,0,0,0,0|1,0,0]=3 13491 B13R0.147 CCCCCCCCOCC(=O)OC 28a5946e499ca9a413bae6ef00eed1eb [0,2,0,0,0,0|0,0,0]=2 13492 B13R0.147 CCCCCCCCOCC(C)OC 0f4430a853cce88308ded10fb34f6ad3 [0,2,0,0,0,0|1,0,1]=4 13493 B13R0.147 CCCCCCCCOCC(O)CO 46c2fe0520c1ac395ddb4f27a61434bd [0,2,0,0,0,0|0,0,2]=4 13494 B13R0.147 CCCCCCCCOC[C@@H](C)OC eab161fcecd28215ce94221644b5bbe9 [0,2,0,0,0,0|1,0,1]=4 13495 B13R0.147 CCCCCCCCOC[C@@H](O)CO 8ce262f4ace5403e5f1c0107af2da196 [0,2,0,0,0,0|0,0,2]=4 13496 B13R0.147 CCCCCCCCOC[C@H](C)OC 11e40b8703a43576778cef76e5b3e27a [0,2,0,0,0,0|1,0,1]=4 13497 B13R0.147 CCCCCCCCOC[C@H](O)CO 9885e0ea6a07cf7b143de90bc057568c [0,2,0,0,0,0|0,0,2]=4 13498 B13R0.147 CCCCCCCNCCC(=O)NC 9fb973a8ca2d237fb5aeb7bb477e7eee [0,2,0,0,0,0|1,0,0]=3 13499 B13R0.147 CCCCCCCNCCC(=O)NO 89bbc52765a09d657df6ea07b1da7893 [0,2,0,0,0,0|0,0,0]=2 13500 B13R0.147 CCCCCCCNCCC(=O)OC 7d2596dcada6929b32da4dc69c088282 [0,2,0,0,0,0|0,0,0]=2 13501 B13R0.147 CCCCCCCNCCC(C)CO 155dc892d0fbfeab6f5495b22611b7fe [0,2,0,0,0,0|1,0,1]=4 13502 B13R0.147 CCCCCCCNCCC(O)CO 8bd422c93cc865ccc2883ac76ae9bdff [0,2,0,0,0,0|0,0,2]=4 13503 B13R0.147 CCCCCCCNCCS(=O)CC 9223955314b14fcde61ebf3f8c180223 [0,2,0,0,0,0|2,0,0]=4 13504 B13R0.147 CCCCCCCNCC[C@@H](C)CO 909bd8564c4053a1fc420ece4e2b1cc2 [0,2,0,0,0,0|1,0,1]=4 13505 B13R0.147 CCCCCCCNCOC(=O)CC 2cb81149e57374acdfb7d7bd5f55aaeb [0,2,0,0,0,0|2,0,0]=4 13506 B13R0.147 CCCCCCCNCOC(=O)OC ef744a9924168dd75498307a54023295 [0,2,0,0,0,0|1,0,0]=3 13507 B13R0.147 CCCCCCCOCCC(=O)NC 5d1b6a9a3f2ed0d80d8ac88655812413 [0,2,0,0,0,0|1,0,0]=3 13508 B13R0.147 CCCCCCCOCCC(=O)OC 71cd9b89c3422aa8005afc8ac30b8e5e [0,2,0,0,0,0|0,0,0]=2 13509 B13R0.147 CCCCCCCOCCC(C)OC 160b4947e7e7c96cd79339d638d84d1f [0,2,0,0,0,0|1,0,1]=4 13510 B13R0.147 CCCCCCCOCCN(C)C=O 4d80362d3cc9561bba6ba1408fd8b2d6 [0,2,0,0,0,0|2,0,0]=4 13511 B13R0.147 CCCCCCCOCOC(=O)CC c8547b52873f7d093d0bec4b70d2a332 [0,2,0,0,0,0|2,0,0]=4 13512 B13R0.147 CCCCCCCOCOC(=O)OC 8f744e5c0921058dd60487b0b34e1586 [0,2,0,0,0,0|1,0,0]=3 13513 B13R0.147 CCCCCCNC/C=C/C(=O)OC da65ca5fca4de657aadbe3d855541080 [0,2,0,0,0,0|0,0,2]=4 13514 B13R0.147 CCCCCCNC/C=C\C(=O)OC 417afe7fbdae5499ca563b2962e78af7 [0,2,0,0,0,0|0,0,2]=4 13515 B13R0.147 CCCCCCNCC#CC(=O)OC d836ee9d0380a1a145644f2da52fdd9b [0,2,0,0,0,0|0,0,2]=4 13516 B13R0.147 CCCCCCNCC=CC(=O)OC 86a086a24c5c088422f5a0ecb3e0f6c7 [0,2,0,0,0,0|0,0,2]=4 13517 B13R0.147 CCCCCCNCCCC(=O)NC 307e46cf92c76ae47f1e27db7e677710 [0,2,0,0,0,0|1,0,0]=3 13518 B13R0.147 CCCCCCNCCCC(=O)OC 78467be93127cc6a8620ff69cb262067 [0,2,0,0,0,0|0,0,0]=2 13519 B13R0.147 CCCCCCNCCCC(C)CO ca09d6941bc8146f331e0ee1e6dbfe90 [0,2,0,0,0,0|1,0,1]=4 13520 B13R0.147 CCCCCCNCCNC(=O)CC 7e7ec5e84a1e9d2cecb62e4130590a87 [0,2,0,0,0,0|2,0,0]=4 13521 B13R0.147 CCCCCCOC/C=C/C(=O)OC 0b65a61de6b5df8ca86801402fff08df [0,2,0,0,0,0|0,0,2]=4 13522 B13R0.147 CCCCCCOC/C=C\C(=O)OC ff086bc80eb704cc5bf67d9b169606cc [0,2,0,0,0,0|0,0,2]=4 13523 B13R0.147 CCCCCCOCC#CC(=O)OC 5bf4c78e62aad92beffcac182c03b2c4 [0,2,0,0,0,0|0,0,2]=4 13524 B13R0.147 CCCCCCOCC=CC(=O)OC 187d143181422d47aa30aa1184b9a897 [0,2,0,0,0,0|0,0,2]=4 13525 B13R0.147 CCCCCCOCCCC(=O)NC b94ba9c8330f8650de2304957889c835 [0,2,0,0,0,0|1,0,0]=3 13526 B13R0.147 CCCCCCOCCCC(=O)OC 83b21499363d4744613a93318c3a0fe3 [0,2,0,0,0,0|0,0,0]=2 13527 B13R0.147 CCCCCCOCCNC(=O)CC 595e68d4e9766e183ec3d895416fa07c [0,2,0,0,0,0|2,0,0]=4 13528 B13R0.147 CCCCCCOCCOC(=O)CC 5de9c7b3d11dfb8a4419ad50a0d9e03b [0,2,0,0,0,0|2,0,0]=4 13529 B13R0.147 CCCCCCOCCOC(=O)OC ca0c8312f5970ba6379358a47a0bf4a7 [0,2,0,0,0,0|1,0,0]=3 13530 B13R0.147 CCCCCNCCCCC(=O)CC 90b728a095ade7586124fa525c7f53e7 [0,2,0,0,0,0|1,0,0]=3 13531 B13R0.147 CCCCCNCCCCC(=O)OC 46a7e105511c0c93f9cb151aa4f15e47 [0,2,0,0,0,0|0,0,0]=2 13532 B13R0.147 CCCCCNCCOCC(=O)OC a99720efb337f3a99f05f18b9d1adf0a [0,2,0,0,0,0|1,0,0]=3 13533 B13R0.147 CCCCCOCCCCC(=O)CC e2ac128e37c582a4e7d20ec42c0aa585 [0,2,0,0,0,0|1,0,0]=3 13534 B13R0.147 CCCCCOCCCCC(=O)OC 980807aea6e63d008afe797fc55d3688 [0,2,0,0,0,0|0,0,0]=2 13535 B13R0.147 CCCCCOCCOCC(=O)CC ff73dd8e78461ef39e61b11f070cd919 [0,2,0,0,0,0|2,0,0]=4 13536 B13R0.147 CCCCCOCCOCC(=O)NC ca5950e0fdaed8c740956ab78b096d7a [0,2,0,0,0,0|2,0,0]=4 13537 B13R0.147 CCCCCOCCOCC(=O)OC 0878aa26c2805e739923d92740a69332 [0,2,0,0,0,0|1,0,0]=3 13538 B13R0.147 CCCCNCCCCCC(=O)OC a815ffae1e1916161e83c058cacea182 [0,2,0,0,0,0|0,0,0]=2 13539 B13R0.147 CCCCNCCCOCC(=O)OC 8807eb8490eaeee4675d5567d5ec35f1 [0,2,0,0,0,0|1,0,0]=3 13540 B13R0.147 CCCCNCCCSCC(=O)OC 3922c1148c4b9eedb1071ee5fd759fb5 [0,2,0,0,0,0|1,0,0]=3 13541 B13R0.147 CCCCOCCCCCC(=O)OC 970a443bfeac90c9af69acf488d88f4a [0,2,0,0,0,0|0,0,0]=2 13542 B13R0.147 CCCCOCCCNCC(=O)CC 3d5204980ce7d3c774b95de3cb7aef61 [0,2,0,0,0,0|2,0,0]=4 13543 B13R0.147 CCCCOCCCNCC(=O)CO 1e21ddb9c829695724cd581dd89c345e [0,2,0,0,0,0|1,0,0]=3 13544 B13R0.147 CCCCOCCCNCC(=O)NC fd3a6e1d1117a9934bd296416352b711 [0,2,0,0,0,0|2,0,0]=4 13545 B13R0.147 CCCCOCCCNCC(=O)OC 024098cb3d06922ee02681a4f6ab3892 [0,2,0,0,0,0|1,0,0]=3 13546 B13R0.147 CCCCOCCCOCC(=O)CC 8f6c7d1add625568c27b82319d38f69e [0,2,0,0,0,0|2,0,0]=4 13547 B13R0.147 CCCCOCCCOCC(=O)NC 551fcda4c9e358b78bd876702cc1886b [0,2,0,0,0,0|2,0,0]=4 13548 B13R0.147 CCCCOCCCOCC(=O)OC a6e60ce4775ff488082b3fb910f71a7c [0,2,0,0,0,0|1,0,0]=3 13549 B13R0.147 CCCCOCCCSCC(=O)OC d8e748891611d5e8033485af8eb5aa49 [0,2,0,0,0,0|1,0,0]=3 13550 B13R0.147 CCCCOCCNCCC(=O)NC cc7af831cf6cbed6f64c05610532a7b8 [0,2,0,0,0,0|2,0,0]=4 13551 B13R0.147 CCCCOCCNCCC(=O)NO 7df3b0c4281cadfaee9a52dd6699b70e [0,2,0,0,0,0|1,0,0]=3 13552 B13R0.147 CCCCOCCNCCC(=O)OC 3e70946ee01dab70d6f363ff1acb7a5d [0,2,0,0,0,0|1,0,0]=3 13553 B13R0.147 CCCCOCCNCOC(=O)OC 8ac29e1c190bca969236a0c4634acd5e [0,2,0,0,0,0|2,0,0]=4 13554 B13R0.147 CCCCOCCOCCC(=O)NC eb31dae5b48e88bd6e1e1e0141d4d4e9 [0,2,0,0,0,0|2,0,0]=4 13555 B13R0.147 CCCCOCCOCCC(=O)OC 1d4e0c844077f26b296288803bc12926 [0,2,0,0,0,0|1,0,0]=3 13556 B13R0.147 CCCCOCCOCOC(=O)OC 7c10dc80a579663c95da5db2d0db7da1 [0,2,0,0,0,0|2,0,0]=4 13557 B13R0.147 CCCCOCNCCCC(=O)OC 2157e5d379a01a8fc2aa0fe3ae11ff9a [0,2,0,0,0,0|1,0,0]=3 13558 B13R0.147 CCCCOCOCCCC(=O)NC 2e72cb95830089423c159160f9cdcafe [0,2,0,0,0,0|2,0,0]=4 13559 B13R0.147 CCCCOCOCCOC(=O)OC 5215a4a99a143422ad4922f94038223a [0,2,0,0,0,0|2,0,0]=4 13560 B13R0.147 CCCCSCCOCCC(=O)NC 9b7f93f7c79be6baed55bac5357f0f99 [0,2,0,0,0,0|2,0,0]=4 13561 B13R0.147 CCCCSCCOCCC(=O)OC b37e61833de65a56088831f6085d00d9 [0,2,0,0,0,0|1,0,0]=3 13562 B13R0.147 CCCCSCCOCOC(=O)OC 6fd6df1791e577b60298985f75c35302 [0,2,0,0,0,0|2,0,0]=4 13563 B13R0.147 CCCNCCCCCCC(=O)OC 62f8a1b7de961688139cc6bfc52af8c3 [0,2,0,0,0,0|0,0,0]=2 13564 B13R0.147 CCCOCCCCCCC(=O)OC f22704949f18012fcce5f0588f5c567c [0,2,0,0,0,0|0,0,0]=2 13565 B13R0.147 CCCOCCCNCCC(=O)NC eb29c0b6ce9c0f6542a9fd575b624d51 [0,2,0,0,0,0|2,0,0]=4 13566 B13R0.147 CCCOCCCNCCC(=O)NO 46bd92ed24eb9ddb562b768615172117 [0,2,0,0,0,0|1,0,0]=3 13567 B13R0.147 CCCOCCCNCCC(=O)OC 44292ab72f0f0ab9ac8dd53f3ce4f620 [0,2,0,0,0,0|1,0,0]=3 13568 B13R0.147 CCCOCCCNCOC(=O)OC 4b55313fde6f4fa9b00f47ec979514cb [0,2,0,0,0,0|2,0,0]=4 13569 B13R0.147 CCCOCCCOCCC(=O)NC 2051123f39ec4bb70bb6a202eb4f2021 [0,2,0,0,0,0|2,0,0]=4 13570 B13R0.147 CCCOCCCOCCC(=O)OC 113264964a3acc4a6b06d77361e4af5a [0,2,0,0,0,0|1,0,0]=3 13571 B13R0.147 CCCOCCNCCCC(=O)NC cea43e688323de93233c06892721d057 [0,2,0,0,0,0|2,0,0]=4 13572 B13R0.147 CCCOCCNCCCC(=O)OC f87e411d154823d260bce14713fe773f [0,2,0,0,0,0|1,0,0]=3 13573 B13R0.147 CCCOCCOCCCC(=O)NC d6ac97155b579f971fa448d3d3afe6eb [0,2,0,0,0,0|2,0,0]=4 13574 B13R0.147 CCCOCCOCCCC(=O)OC 84aa2ca0afab435a31a348ef148418be [0,2,0,0,0,0|1,0,0]=3 13575 B13R0.147 CCCOCCOCCOC(=O)OC c07717e100b5f378e7e5b75210c35d37 [0,2,0,0,0,0|2,0,0]=4 13576 B13R0.147 CCCSCCCCNCC(=O)CC e518b9c9de91f7081f73d62fd5c20df6 [0,2,0,0,0,0|2,0,0]=4 13577 B13R0.147 CCCSCCCCNCC(=O)CO ddc7348621c24d3d1bc3a61711b30c98 [0,2,0,0,0,0|1,0,0]=3 13578 B13R0.147 CCCSCCCCNCC(=O)NC d19e2cb966e89a8a894f2e0e130874c4 [0,2,0,0,0,0|2,0,0]=4 13579 B13R0.147 CCCSCCCCNCC(=O)OC 06322cc889b5d231cf670e3b262ed658 [0,2,0,0,0,0|1,0,0]=3 13580 B13R0.147 CCCSCCOCCCC(=O)NC f057a269d973f02e16bd821141f859c5 [0,2,0,0,0,0|2,0,0]=4 13581 B13R0.147 CCCSCCOCCCC(=O)OC 4cf3a02cfa7c32a6367dcbd98a87b1b1 [0,2,0,0,0,0|1,0,0]=3 13582 B13R0.147 CCNCCCCCCCC(=O)OC 7489671079ef4bbb11b756d13d5984fb [0,2,0,0,0,0|0,0,0]=2 13583 B13R0.147 CCNCCOCCOCC(=O)OC cb0d5789ceed3fded9cffae307f58277 [0,2,0,0,0,0|2,0,0]=4 13584 B13R0.147 CCOCCCCCCCC(=O)OC f0bf047e1cf69e0c5d7b51c202029115 [0,2,0,0,0,0|0,0,0]=2 13585 B13R0.147 CCOCCCNCCCC(=O)NC aa16757b7a00dddd1cfe5ff9279c34f4 [0,2,0,0,0,0|2,0,0]=4 13586 B13R0.147 CCOCCCNCCCC(=O)OC 4b3c9307afbfbc4bd49664de3ba940a8 [0,2,0,0,0,0|1,0,0]=3 13587 B13R0.147 CCOCCCOCCCC(=O)NC 67004167d3e74bd7d1d9f8f5446cee93 [0,2,0,0,0,0|2,0,0]=4 13588 B13R0.147 CCOCCCOCCCC(=O)OC 42edd5f705e507154840d442ed6b8239 [0,2,0,0,0,0|1,0,0]=3 13589 B13R0.147 CCOCCCOCCOC(=O)OC 17322c6f4d269b1de7dddd56e9359bd5 [0,2,0,0,0,0|2,0,0]=4 13590 B13R0.147 CCOCCNCCCCC(=O)CC ed5788245ea398f502beb0adf16894ad [0,2,0,0,0,0|2,0,0]=4 13591 B13R0.147 CCOCCNCCCCC(=O)OC 06757eb196c0be223d5e9aa529a398de [0,2,0,0,0,0|1,0,0]=3 13592 B13R0.147 CCOCCNCCOCC(=O)OC 9f21c743c11151182641a5178ee31bf4 [0,2,0,0,0,0|2,0,0]=4 13593 B13R0.147 CCOCCOCCCCC(=O)CC 1fd836d2201434a45fff0e3b5d7a8e31 [0,2,0,0,0,0|2,0,0]=4 13594 B13R0.147 CCOCCOCCCCC(=O)OC 77e228336d7fd7ccb7d98ded8ed7fbc6 [0,2,0,0,0,0|1,0,0]=3 13595 B13R0.147 CCOCCOCCNCC(=O)CO 511cd2a1d94a5c29e70aab5789a0fcdd [0,2,0,0,0,0|2,0,0]=4 13596 B13R0.147 CCOCCOCCNCC(=O)NO ded0c5f2582f83d9f0904bad4dee41bb [0,2,0,0,0,0|2,0,0]=4 13597 B13R0.147 CCOCCOCCNCC(=O)OC 45e4e6057a0318a191d861071582b135 [0,2,0,0,0,0|2,0,0]=4 13598 B13R0.147 CCOCCOCCOCC(=O)OC 68a0d11000cf5a1eb6935cea50dff4ca [0,2,0,0,0,0|2,0,0]=4 13599 B13R0.147 CCOCNCCCCCC(=O)OC 2c1da15d75fb2d43cb7dd0cb68231f94 [0,2,0,0,0,0|1,0,0]=3 13600 B13R0.147 CCOCOCCCCCC(=O)OC 349013e30799659976273f1f8e820ce4 [0,2,0,0,0,0|1,0,0]=3 13601 B13R0.147 CCOCOCCCOCC(=O)OC 2989227bc5d95d869c919e89b3ca411f [0,2,0,0,0,0|2,0,0]=4 13602 B13R0.147 CCOCOCCOCCC(=O)OC 3e17bc02f23912ddba7b1756dea78621 [0,2,0,0,0,0|2,0,0]=4 13603 B13R0.147 CCSCCCCNCCC(=O)NC 8a11eac39bd382b5a4a63d847c1f3b2d [0,2,0,0,0,0|2,0,0]=4 13604 B13R0.147 CCSCCCCNCCC(=O)OC 4a33f4f044bf51fc248ee6c23ed0509e [0,2,0,0,0,0|1,0,0]=3 13605 B13R0.147 CCSCCCCNCOC(=O)OC 372d0ce0a6630758224cc6ece4351202 [0,2,0,0,0,0|2,0,0]=4 13606 B13R0.147 CCSCCCNCCCC(=O)OC fe4cbcbc67ef9c351cbba6579b6b34fa [0,2,0,0,0,0|1,0,0]=3 13607 B13R0.147 CCSCCCOCCCC(=O)NC 7d0e757b00fd0804c2eba2a0029ee4a3 [0,2,0,0,0,0|2,0,0]=4 13608 B13R0.147 CCSCCCOCCCC(=O)OC 4dec2d7036da25097c4bf3b604afebbd [0,2,0,0,0,0|1,0,0]=3 13609 B13R0.147 CCSCCCOCCOC(=O)OC f6bbf27127c98ca3a66d6a91c7aa52c6 [0,2,0,0,0,0|2,0,0]=4 13610 B13R0.147 CCSCCNCCCCC(=O)CC 53daf0ecf06335323ff214b79e0613fc [0,2,0,0,0,0|2,0,0]=4 13611 B13R0.147 CCSCCNCCCCC(=O)OC 19ba0eea8562f2866468a02bbc42f471 [0,2,0,0,0,0|1,0,0]=3 13612 B13R0.147 CCSCCNCCOCC(=O)OC ab4d8f7e9ed8f93a1cd4108f8982581c [0,2,0,0,0,0|2,0,0]=4 13613 B13R0.147 CCSCCOCCCCC(=O)CC 810326bb725bd53b360cbcf5874df4d4 [0,2,0,0,0,0|2,0,0]=4 13614 B13R0.147 CCSCCOCCCCC(=O)OC 6eec5c8866be9f6433f6c6f357b018fa [0,2,0,0,0,0|1,0,0]=3 13615 B13R0.147 CCSCCOCCOCC(=O)OC 08ee523f722ea6d497ca058fe813f443 [0,2,0,0,0,0|2,0,0]=4 13616 B13R0.147 CN(C=O)CCCCCCCCCO 0d2ae7c80ccf985796dd92057248a02b [0,2,0,0,0,0|2,0,0]=4 13617 B13R0.147 CN(CO)CCCCCCCCCO e654e9c8b4cd72db421361722b191099 [0,2,0,0,0,0|2,0,0]=4 13618 B13R0.147 CNC(=O)CCCNCCCCCCl 7d9ff5036fccb03e8bb6aae92f9d66fb [0,2,0,0,0,0|2,0,0]=4 13619 B13R0.147 CNC(=O)CCCNCCCCCO ab07d56cd0dade24df0780e7884baa87 [0,2,0,0,0,0|2,0,0]=4 13620 B13R0.147 CNC(=O)CCCNCCCCOC 7bb91b2af4b9af3261ce8973499b2e9f [0,2,0,0,0,0|2,0,0]=4 13621 B13R0.147 CNC(=O)CCCNCCCCSC 8f0d61aa3a92ed5a7a54925f8a673a69 [0,2,0,0,0,0|2,0,0]=4 13622 B13R0.147 CNC(=O)CCCOCCCCCF 86c683406320ea501e5ccf2b524a560e [0,2,0,0,0,0|2,0,0]=4 13623 B13R0.147 CNC(=O)CCCOCCCCOC ec1b7bcbfce54a6be3a6bf70a59ce21d [0,2,0,0,0,0|2,0,0]=4 13624 B13R0.147 CNC(=O)CCCOCCCCSC ec7a28feba4d8c387ef2d14539252fa8 [0,2,0,0,0,0|2,0,0]=4 13625 B13R0.147 CNC(=O)CCNCCCCCCCl 45e74d9ea3822df7acb4b5a4ef380c9e [0,2,0,0,0,0|2,0,0]=4 13626 B13R0.147 CNC(=O)CCNCCCCCCF cc54071401717e387ecd784809690b7c [0,2,0,0,0,0|2,0,0]=4 13627 B13R0.147 CNC(=O)CCNCCCCCCO cbbeeb191cd1152be09973e8a111d1de [0,2,0,0,0,0|2,0,0]=4 13628 B13R0.147 CNC(=O)CCNCCCCCOC ddac80c914f6a5364004e1acbd2aa42d [0,2,0,0,0,0|2,0,0]=4 13629 B13R0.147 CNC(=O)CCOCCCCCCF 5fb71e06cb68d956748915effd8b8842 [0,2,0,0,0,0|2,0,0]=4 13630 B13R0.147 CNC(=O)CCOCCCCCCS 479f78052e432afadf2dad1dae2e4c32 [0,2,0,0,0,0|2,0,0]=4 13631 B13R0.147 CNC(=O)CCOCCCCCOC c98139bb78edf8471678bb2d4685dfa1 [0,2,0,0,0,0|2,0,0]=4 13632 B13R0.147 CNC(=O)CNCCCCCCCO 412dc999289db458239ca4e9f9b05432 [0,2,0,0,0,0|2,0,0]=4 13633 B13R0.147 CNC(=O)CNCCCCCCOC 7371f60ca09408160130d101028d6b4b [0,2,0,0,0,0|2,0,0]=4 13634 B13R0.147 CNC(=O)COCCCCCCOC 2f6e16a3b7598d189bd4a5bdff41f539 [0,2,0,0,0,0|2,0,0]=4 13635 B13R0.147 COC(=O)CCCCCCCNC#N e3f747f3569e47399fea271b8f79323d [0,2,0,0,0,0|1,0,1]=4 13636 B13R0.147 COC(=O)CCCCCCCNC=O 29ad81f89df1aa39031dfc8fb0c660f8 [0,2,0,0,0,0|1,0,1]=4 13637 B13R0.147 COC(=O)CCCCCCCNCF a8ee8da366a75f8b9904c72aa34a6e9a [0,2,0,0,0,0|1,0,0]=3 13638 B13R0.147 COC(=O)CCCCCCCNCO e9ffd08bcc13f1bc24e9e035718898d1 [0,2,0,0,0,0|1,0,0]=3 13639 B13R0.147 COC(=O)CCCCCCCOCF d69c2f6e240d3e0270efb38199ff319b [0,2,0,0,0,0|1,0,0]=3 13640 B13R0.147 COC(=O)CCCCCCNCC#N 064d113c950585963c1b5256eceb3165 [0,2,0,0,0,0|1,0,1]=4 13641 B13R0.147 COC(=O)CCCCCCNCC=O e917d9c52c99aabfd5305470bd059c6b [0,2,0,0,0,0|1,0,1]=4 13642 B13R0.147 COC(=O)CCCCCCNCCBr 4373850f450c665fc093e62ad21addad [0,2,0,0,0,0|1,0,0]=3 13643 B13R0.147 COC(=O)CCCCCCNCCF 1ee7d55485d0ef0d0bcfce8fc2dcc494 [0,2,0,0,0,0|1,0,0]=3 13644 B13R0.147 COC(=O)CCCCCCNCCI 3fb8db4404a1474976955247c8350071 [0,2,0,0,0,0|1,0,0]=3 13645 B13R0.147 COC(=O)CCCCCCNCCO 2f24700e49e8f363609dc28431116cef [0,2,0,0,0,0|1,0,0]=3 13646 B13R0.147 COC(=O)CCCCCCNCCS 06db1d056d9126aa82cc5c6183392f77 [0,2,0,0,0,0|1,0,0]=3 13647 B13R0.147 COC(=O)CCCCCCNCSC 4271a8a2929dde83064fc44507f666c1 [0,2,0,0,0,0|1,0,0]=3 13648 B13R0.147 COC(=O)CCCCCCOCC#N dc48fe77b738c5048519fbb9ac8d1fcf [0,2,0,0,0,0|1,0,1]=4 13649 B13R0.147 COC(=O)CCCCCCOCC=O 33dff839e11c2cfc592708f7484953a1 [0,2,0,0,0,0|1,0,1]=4 13650 B13R0.147 COC(=O)CCCCCCOCCF bf5f616cb32262d861730bb10fc3b3f6 [0,2,0,0,0,0|1,0,0]=3 13651 B13R0.147 COC(=O)CCCCCCOCCS a3362ae7175f3ce2c4afece78e40185a [0,2,0,0,0,0|1,0,0]=3 13652 B13R0.147 COC(=O)CCCCCCOCSC 0adda32d5b6bbfefb0f1a0b5c2e6e997 [0,2,0,0,0,0|1,0,0]=3 13653 B13R0.147 COC(=O)CCCCCNCCC#N bdb6cbff0c9e5699275411e41256fd4b [0,2,0,0,0,0|1,0,1]=4 13654 B13R0.147 COC(=O)CCCCCNCCC=O 14b86baca6e60e7587a11f3191932988 [0,2,0,0,0,0|1,0,1]=4 13655 B13R0.147 COC(=O)CCCCCNCCCCl e7f2355ee871e73e1048b21bf57fa728 [0,2,0,0,0,0|1,0,0]=3 13656 B13R0.147 COC(=O)CCCCCNCCCF d788a9b2c6269ad20834645d61c13516 [0,2,0,0,0,0|1,0,0]=3 13657 B13R0.147 COC(=O)CCCCCNCCCO 0a435806f24fab99402538b5f3f82cda [0,2,0,0,0,0|1,0,0]=3 13658 B13R0.147 COC(=O)CCCCCNCCCS 81b1117264a03b86b146bfaf3bd05ec1 [0,2,0,0,0,0|1,0,0]=3 13659 B13R0.147 COC(=O)CCCCCNCCON bcdd42c7c4be8ae1d7b879229028c609 [0,2,0,0,0,0|2,0,0]=4 13660 B13R0.147 COC(=O)CCCCCNCCSC 9da0291d557d1a37a989ebb22f464780 [0,2,0,0,0,0|1,0,0]=3 13661 B13R0.147 COC(=O)CCCCCOCCC#N 9b26559f9a017fa72648d10a4f043b17 [0,2,0,0,0,0|1,0,1]=4 13662 B13R0.147 COC(=O)CCCCCOCCC=O e112d174b5a4a7bb64a4c1ccc3da3790 [0,2,0,0,0,0|1,0,1]=4 13663 B13R0.147 COC(=O)CCCCCOCCCF 8d5234544a95e0f24db572fe433d1a24 [0,2,0,0,0,0|1,0,0]=3 13664 B13R0.147 COC(=O)CCCCCOCCCS 6cfd6992d68e6f19a560f1b91fc7d192 [0,2,0,0,0,0|1,0,0]=3 13665 B13R0.147 COC(=O)CCCCCOCCSC ee286d98d6bc4def5949dc7336628b00 [0,2,0,0,0,0|1,0,0]=3 13666 B13R0.147 COC(=O)CCCCNCCCC#N 513d676fc1f7f41d91519af4769e34df [0,2,0,0,0,0|1,0,1]=4 13667 B13R0.147 COC(=O)CCCCNCCCC=O 134e975008ba8644da0a3110776d7c3b [0,2,0,0,0,0|1,0,1]=4 13668 B13R0.147 COC(=O)CCCCNCCCCCl 7f629bfce31e778bb48187fa620d0b45 [0,2,0,0,0,0|1,0,0]=3 13669 B13R0.147 COC(=O)CCCCNCCCCF a34c7bace4ad7d8f27ec753a6b660535 [0,2,0,0,0,0|1,0,0]=3 13670 B13R0.147 COC(=O)CCCCNCCCCO 6d14c174f81081eb42ac77efdaaf40dc [0,2,0,0,0,0|1,0,0]=3 13671 B13R0.147 COC(=O)CCCCNCCCCS e2d19bf1e4aa9a5180e40a6e19049fa6 [0,2,0,0,0,0|1,0,0]=3 13672 B13R0.147 COC(=O)CCCCNCCCSC 37e049a533038ef7bf4c4600d967db3f [0,2,0,0,0,0|1,0,0]=3 13673 B13R0.147 COC(=O)CCCCOCCCC#N 9c4596b52a4027ff351a8b6fb431143b [0,2,0,0,0,0|1,0,1]=4 13674 B13R0.147 COC(=O)CCCCOCCCC=O 82f4ef1a14f2521b3f11070226a6d297 [0,2,0,0,0,0|1,0,1]=4 13675 B13R0.147 COC(=O)CCCCOCCCCF 0efbc1d65709e779f9ccb56e51329210 [0,2,0,0,0,0|1,0,0]=3 13676 B13R0.147 COC(=O)CCCCOCCCCS 4ecdb6068328aa5af866af98c80c0b6e [0,2,0,0,0,0|1,0,0]=3 13677 B13R0.147 COC(=O)CCCCOCCCSC 568379774f8735ff054d2e6a26cde05e [0,2,0,0,0,0|1,0,0]=3 13678 B13R0.147 COC(=O)CCCNCCCCC#N 909ec8f165d6f3c2eee52ddc6540ae82 [0,2,0,0,0,0|1,0,1]=4 13679 B13R0.147 COC(=O)CCCNCCCCC=O 200615c05f71990c45fa17a08930bc99 [0,2,0,0,0,0|1,0,1]=4 13680 B13R0.147 COC(=O)CCCNCCCCCCl 92b8d42bde55596360295292791b0a4d [0,2,0,0,0,0|1,0,0]=3 13681 B13R0.147 COC(=O)CCCNCCCCCF 2d5b3184337ad247a84aee3c902672be [0,2,0,0,0,0|1,0,0]=3 13682 B13R0.147 COC(=O)CCCNCCCCCO 250a1cda49a64bd3576c13f04d140e31 [0,2,0,0,0,0|1,0,0]=3 13683 B13R0.147 COC(=O)CCCNCCCCON b0157f72b8284d2ec9f560d62be1e6ec [0,2,0,0,0,0|2,0,0]=4 13684 B13R0.147 COC(=O)CCCNCCCCSC 063db6ac72a5450fa4470c27b3f3db87 [0,2,0,0,0,0|1,0,0]=3 13685 B13R0.147 COC(=O)CCCNCCOCCO 719160dd86bb86bdc7e229a48b5342fe [0,2,0,0,0,0|2,0,0]=4 13686 B13R0.147 COC(=O)CCCNCCOCCS d165e0c514ec38f3f33a81d4c68b0214 [0,2,0,0,0,0|2,0,0]=4 13687 B13R0.147 COC(=O)CCCNCCSCCO 93a276d8b7ed7ac81f74895bc974cb2c [0,2,0,0,0,0|2,0,0]=4 13688 B13R0.147 COC(=O)CCCOCCCCC#N 32749bd1730ef27c0e2391bf0e2dc710 [0,2,0,0,0,0|1,0,1]=4 13689 B13R0.147 COC(=O)CCCOCCCCC=O 55441a217abecb29b2ea4443dc737711 [0,2,0,0,0,0|1,0,1]=4 13690 B13R0.147 COC(=O)CCCOCCCCSC 8d53c4e579ab51d40a3241cd62f85732 [0,2,0,0,0,0|1,0,0]=3 13691 B13R0.147 COC(=O)CCCOCCOCCF 295c00c7798295a5abec81ad02c5be29 [0,2,0,0,0,0|2,0,0]=4 13692 B13R0.147 COC(=O)CCCOCCOCCS 22569f3f6099f5a6eb51ede4b8d8c22c [0,2,0,0,0,0|2,0,0]=4 13693 B13R0.147 COC(=O)CCNCCCCCC#N f999fdbbf6f051d3973015739f04cbd9 [0,2,0,0,0,0|1,0,1]=4 13694 B13R0.147 COC(=O)CCNCCCCCC=O 25a81780d53f56b8a722dde3e6756f86 [0,2,0,0,0,0|1,0,1]=4 13695 B13R0.147 COC(=O)CCNCCCCCCCl 280b6b0216e78004bb536809897815e6 [0,2,0,0,0,0|1,0,0]=3 13696 B13R0.147 COC(=O)CCNCCCCCCF 1e479df305ecd71d1b4354ac4c774e2c [0,2,0,0,0,0|1,0,0]=3 13697 B13R0.147 COC(=O)CCNCCCCCCO 878f7a49b19a5764826e990aa73b971b [0,2,0,0,0,0|1,0,0]=3 13698 B13R0.147 COC(=O)CCNCCCOCCO 1e706e99c3910e97029ccafe982d368c [0,2,0,0,0,0|2,0,0]=4 13699 B13R0.147 COC(=O)CCNCCOCCCO a5af71416b0d0810beff21c8b6be53ce [0,2,0,0,0,0|2,0,0]=4 13700 B13R0.147 COC(=O)CCOCCCCCC#N 8e99521053b6ab8285ca204d35fadcce [0,2,0,0,0,0|1,0,1]=4 13701 B13R0.147 COC(=O)CCOCCCCCC=O 0f4dbd4accb97db51cd6bc911f60a3cd [0,2,0,0,0,0|1,0,1]=4 13702 B13R0.147 COC(=O)CCOCCCCCCF b81e59a8c5bb1df36a633e82402d2859 [0,2,0,0,0,0|1,0,0]=3 13703 B13R0.147 COC(=O)CCOCCCCCCS 3e63a97fea5fda8477468610df11c71a [0,2,0,0,0,0|1,0,0]=3 13704 B13R0.147 COC(=O)CCOCCCOCCF d9a9e999a83aa3c0a380e974de1d9d0f [0,2,0,0,0,0|2,0,0]=4 13705 B13R0.147 COC(=O)CCOCCCOCCS 426859e63a3625d10dd63aba3d240095 [0,2,0,0,0,0|2,0,0]=4 13706 B13R0.147 COC(=O)CCOCCCOCSC 0426e1539af26a6a64670b2b568806fc [0,2,0,0,0,0|2,0,0]=4 13707 B13R0.147 COC(=O)CCOCCOCCCF d7ca21e565cfe7a808bebcda8cf4868d [0,2,0,0,0,0|2,0,0]=4 13708 B13R0.147 COC(=O)CCOCCOCCCS f0c6e6093e7aa4c23db778fcf641ce2d [0,2,0,0,0,0|2,0,0]=4 13709 B13R0.147 COC(=O)CCOCCOCCSC e63751a86b207ba9915d736610cbff70 [0,2,0,0,0,0|2,0,0]=4 13710 B13R0.147 COC(=O)CNCCCCCCC#N cf6d0b40970040c9e5ccfc22a3053e1a [0,2,0,0,0,0|1,0,1]=4 13711 B13R0.147 COC(=O)CNCCCCCCC=O 9bfa2e585df5f27598d213af25067690 [0,2,0,0,0,0|1,0,1]=4 13712 B13R0.147 COC(=O)CNCCCCCCCO a5725d89c9913041ef4969e7d64532c8 [0,2,0,0,0,0|1,0,0]=3 13713 B13R0.147 COC(=O)CNCCCCSCCO 9a72b216b94d863bb9946bc61ba1e10e [0,2,0,0,0,0|2,0,0]=4 13714 B13R0.147 COC(=O)CNCCCOCCCO af0a3f907bd1ba8ca3559ba509de2526 [0,2,0,0,0,0|2,0,0]=4 13715 B13R0.147 COC(=O)CNCCCOCCSC b9960eb6e6f43e40bc3d7d2c88aa6e30 [0,2,0,0,0,0|2,0,0]=4 13716 B13R0.147 COC(=O)COCCCCCCC#N be1d4edff018911ff86eb9dfabc594b3 [0,2,0,0,0,0|1,0,1]=4 13717 B13R0.147 COC(=O)COCCCCCCC=O fbbb7ea68f1342c000efa48dfcf7cc7f [0,2,0,0,0,0|1,0,1]=4 13718 B13R0.147 COC(=O)COCCCNCCCCl 7aee53a4a8fe426ef0641a577de35024 [0,2,0,0,0,0|2,0,0]=4 13719 B13R0.147 COC(=O)COCCCNCCCO c91dae3c972ca43a2fb759cf6d46432d [0,2,0,0,0,0|2,0,0]=4 13720 B13R0.147 COC(=O)COCCCNCCSC 62be8a35641bcd3547913bd0f7472c75 [0,2,0,0,0,0|2,0,0]=4 13721 B13R0.147 COC(=O)COCCCOCCCF 12ee2bca135004434665646c437216ae [0,2,0,0,0,0|2,0,0]=4 13722 B13R0.147 COC(=O)COCCCOCCCS e3974673549a9f04bd1c178913c272cf [0,2,0,0,0,0|2,0,0]=4 13723 B13R0.147 COC(=O)COCCCOCCSC 3f0304b8ad27212fc144a74fcaaf7986 [0,2,0,0,0,0|2,0,0]=4 13724 B13R0.147 COC(=O)COCCNCCCCCl ed91558ef782e90e41601bbbd36df991 [0,2,0,0,0,0|2,0,0]=4 13725 B13R0.147 COC(=O)COCCNCCCCO 3737d29ae9b941f1f3905ec0237c6604 [0,2,0,0,0,0|2,0,0]=4 13726 B13R0.147 COC(=O)COCCNCCCCS 7d911fcfbd0646bd5f5c20789ac6d581 [0,2,0,0,0,0|2,0,0]=4 13727 B13R0.147 COC(=O)COCCNCCCSC 2e4eb362aefb0c0231c6873678f18ca2 [0,2,0,0,0,0|2,0,0]=4 13728 B13R0.147 COC(=O)COCCOCCCCF 88445d97166edc79da021332dcd06ae2 [0,2,0,0,0,0|2,0,0]=4 13729 B13R0.147 COC(=O)COCCOCCCCS 18b860c5ca3ef497de89a3242b9c05d0 [0,2,0,0,0,0|2,0,0]=4 13730 B13R0.147 COC(=O)COCCOCCCSC 85137d55238878ae74df06aef604f986 [0,2,0,0,0,0|2,0,0]=4 13731 B13R0.147 COC(=O)CSCCCNCCCCl 9a0e0b4a2089415455c5facda036d3a2 [0,2,0,0,0,0|2,0,0]=4 13732 B13R0.147 COC(=O)CSCCCNCCCO 6f1512f7a3d1e30c3c660bc1c02fdfe9 [0,2,0,0,0,0|2,0,0]=4 13733 B13R0.147 COC(=O)CSCCCNCCSC 9eed9c43bc33b7a27707a86e9a329227 [0,2,0,0,0,0|2,0,0]=4 13734 B13R0.147 COC(=O)CSCCCOCCCF f70ed597a2507f202c1ada5c455d23de [0,2,0,0,0,0|2,0,0]=4 13735 B13R0.147 COC(=O)CSCCCOCCSC fd047d9312c3d867cedef6e389cb50f5 [0,2,0,0,0,0|2,0,0]=4 13736 B13R0.147 COC(=O)OCCOCCCCCF 13e0481e8f5a414ea41f361d0eadd572 [0,2,0,0,0,0|2,0,0]=4 13737 B13R0.147 COC(=O)OCNCCCCCCCl 89c74ff3f18905dafda629dc88e1055d [0,2,0,0,0,0|2,0,0]=4 13738 B13R0.147 COC(=O)OCNCCCCCCO a7ecaa9ed13d761e557d4395b1c59162 [0,2,0,0,0,0|2,0,0]=4 13739 B13R0.147 COC(=O)OCOCCCCCCF 65a8775a0109c5597b7dad71b9a6391c [0,2,0,0,0,0|2,0,0]=4 13740 B13R0.147 COC(=O)OCOCCCCCCS d381fdbe27413007582eb3406b84003e [0,2,0,0,0,0|2,0,0]=4 13741 B13R0.147 COCCCCCCNCC(=O)NO 00e16fe7c0700fb7e2d7920bbea83399 [0,2,0,0,0,0|1,0,0]=3 13742 B13R0.147 COCCCCCCNCC(=O)OC 34e4487486ecc30918ee88041384d091 [0,2,0,0,0,0|1,0,0]=3 13743 B13R0.147 COCCCCCCOCC(=O)OC b2838f12f25082f21060caf4064646cc [0,2,0,0,0,0|1,0,0]=3 13744 B13R0.147 COCCCCCNCCC(=O)NO b251846ed15f237aecd8eb7555759de7 [0,2,0,0,0,0|1,0,0]=3 13745 B13R0.147 COCCCCCNCCC(=O)OC 8a32fc7790de00ac7616d4061abd3ed6 [0,2,0,0,0,0|1,0,0]=3 13746 B13R0.147 COCCCCCNCOC(=O)OC f9ebaafb0f0fc79edcd88367d4fb5349 [0,2,0,0,0,0|2,0,0]=4 13747 B13R0.147 COCCCCCOCCC(=O)OC 3b4e45d866e3d3f9e61ed6fe54dbd3a2 [0,2,0,0,0,0|1,0,0]=3 13748 B13R0.147 COCCCCNCCCC(=O)OC ca3daeaa93448d38fd958af1c10489f6 [0,2,0,0,0,0|1,0,0]=3 13749 B13R0.147 COCCCCOCCCC(=O)OC 472f460c33f2a9399143721ad4c3566b [0,2,0,0,0,0|1,0,0]=3 13750 B13R0.147 COCCCCOCCOC(=O)OC 0ca635165f32dba6f774ba3395d77599 [0,2,0,0,0,0|2,0,0]=4 13751 B13R0.147 COCCCNCCCCC(=O)OC 8e5d48acf4635d34fb343ddd451735f3 [0,2,0,0,0,0|1,0,0]=3 13752 B13R0.147 COCCCNCCOCC(=O)OC c832367ee3559fe056a8383a80fe3029 [0,2,0,0,0,0|2,0,0]=4 13753 B13R0.147 COCCCOCCCCC(=O)OC 06072ba6e249e9354b3c2eb4b661ad27 [0,2,0,0,0,0|1,0,0]=3 13754 B13R0.147 COCCCOCCOCC(=O)OC 22de46e85c9fc4df92896229adc29101 [0,2,0,0,0,0|2,0,0]=4 13755 B13R0.147 COCCNCCCCCC(=O)OC 5bd0f9d2840cb6d3af7a16845b100640 [0,2,0,0,0,0|1,0,0]=3 13756 B13R0.147 COCCNCCCOCC(=O)OC 49316728f903ae763a25a892adea8847 [0,2,0,0,0,0|2,0,0]=4 13757 B13R0.147 COCCNCCCSCC(=O)OC 61a157583b04d136c708c509c4bf711f [0,2,0,0,0,0|2,0,0]=4 13758 B13R0.147 COCCOCCCCCC(=O)OC 0c515bd5689aa9ed5cff4a9039ede81f [0,2,0,0,0,0|1,0,0]=3 13759 B13R0.147 COCCOCCCCNC(=O)CO 4c882f77fe1c7844e9b7493dbe1fc0cd [0,2,0,0,0,0|2,0,0]=4 13760 B13R0.147 COCCOCCCNCC(=O)CO 0f64bbb2e8e797fc35d480546494b974 [0,2,0,0,0,0|2,0,0]=4 13761 B13R0.147 COCCOCCCNCC(=O)NO 14a9ecbdfbf2ee0b3852be9b26ee6d37 [0,2,0,0,0,0|2,0,0]=4 13762 B13R0.147 COCCOCCCNCC(=O)OC 20158cff804df40977e962ab8e27f096 [0,2,0,0,0,0|2,0,0]=4 13763 B13R0.147 COCCOCCCOCC(=O)OC 9fc9373e374336db6548bf302f09fc5d [0,2,0,0,0,0|2,0,0]=4 13764 B13R0.147 COCCOCCCSCC(=O)OC 04fee114452e80f4fc81a63f5c65d45c [0,2,0,0,0,0|2,0,0]=4 13765 B13R0.147 COCCOCCNCCC(=O)NO 82d93382b96ce5cc1a409efa49dc8183 [0,2,0,0,0,0|2,0,0]=4 13766 B13R0.147 COCCOCCNCCC(=O)OC 946c7f1cfa872fd7613eff304ab7a789 [0,2,0,0,0,0|2,0,0]=4 13767 B13R0.147 COCCOCCOCCC(=O)OC 82920af410c205042e260bc69ec53ec5 [0,2,0,0,0,0|2,0,0]=4 13768 B13R0.147 COCCOCNCCCC(=O)OC d7e2badfb6bbade0edbaef724b81a4d8 [0,2,0,0,0,0|2,0,0]=4 13769 B13R0.147 COCNCCCCCCC(=O)OC 4cf74e039fcb8b492b9da5f27a851827 [0,2,0,0,0,0|1,0,0]=3 13770 B13R0.147 COCOCCCCCCC(=O)OC 2df60893279da50dc1b65e1a65700094 [0,2,0,0,0,0|1,0,0]=3 13771 B13R0.147 COCOCCCOCCC(=O)OC 2660e01b1df3e45e915c9fd9b6671fe7 [0,2,0,0,0,0|2,0,0]=4 13772 B13R0.147 COCOCCNCCCC(=O)OC 99bdc96cdc43ca5441f683d617b61f31 [0,2,0,0,0,0|2,0,0]=4 13773 B13R0.147 CSCCOCCCNCC(=O)CO 9949d2354bfbcaea233d5c3f493a4c97 [0,2,0,0,0,0|2,0,0]=4 13774 B13R0.147 N#CCCCCCCNCC(=O)NO 6f003b727dbd97e63ba28a91f2c87107 [0,2,0,0,0,0|1,0,1]=4 13775 B13R0.147 N#CCCCCCNCCC(=O)NO 55effa81dc6a5dd068dca4758a3b11fc [0,2,0,0,0,0|1,0,1]=4 13776 B13R0.147 O=C(CCNCCCCCCF)NO fcbc1db2c5431859a59fd8914ec0ea5c [0,2,0,0,0,0|1,0,0]=3 13777 B13R0.147 O=C(CCNCCCCCCO)NO 3b334a2f7094e54fa29edba8a6d4b94f [0,2,0,0,0,0|1,0,0]=3 13778 B13R0.147 O=C(CF)NCCCCCCCCO 55badb61250936cb9a1887689ea46a95 [0,2,0,0,0,0|2,0,0]=4 13779 B13R0.147 O=C(CNCCCCCCCO)NO afde9d634e55033e963f5a41ffc25713 [0,2,0,0,0,0|1,0,0]=3 13780 B13R0.147 O=C(CNCCCOCCCO)NO a9f2c2a8d4e8cd64790810f55176f04e [0,2,0,0,0,0|2,0,0]=4 13781 B13R0.147 O=C(CO)CNCCCCCCCO b350551a35f2aa2bf9c23fd666ba0360 [0,2,0,0,0,0|1,0,0]=3 13782 B13R0.147 O=C(CO)CNCCCCSCCO 9b934dcc07623e7d03b9d62de626bea6 [0,2,0,0,0,0|2,0,0]=4 13783 B13R0.147 O=C(CO)CNCCCOCCCO 1e2311c46ead46de5684e7fa0148e228 [0,2,0,0,0,0|2,0,0]=4 13784 B13R0.147 O=C(CO)NCCCCCCCCO 2d309250f02fc65fc3c53cab9f0e56d5 [0,2,0,0,0,0|1,0,0]=3 13785 B13R0.147 O=C(CS)NCCCCCCCCO af9b8466241b802ff1549510bf474073 [0,2,0,0,0,0|1,1,0]=4 13786 B13R0.147 O=CC(=O)NCCCCCCCCO b25b3d4811d4ef9e134c37c4a68c7c40 [0,2,0,0,0,0|1,0,1]=4 13787 B13R0.147 O=CCCCCCCNCC(=O)NO 7ba5aef95810ff9266c42620115f3cf0 [0,2,0,0,0,0|1,0,1]=4 13788 B13R0.147 O=CCCCCCNCCC(=O)NO 3149dcbc5d9e515c3dad960c1740c3ff [0,2,0,0,0,0|1,0,1]=4 13789 B13R0.150 C#CCCCCCCNC(C)C(=O)O d7bb237e7dd1e211924739332c37e3b1 [0,2,0,0,0,0|0,0,2]=4 13790 B13R0.150 C#CCCCCCCNC(O)C(=O)O 5139e4633f487a7cd6d1a134eca0e4a9 [0,2,0,0,0,0|0,0,2]=4 13791 B13R0.150 C#CCCCCCCN[C@@H](C)C(=O)O d31b97f3fef51c8b4e550d426c795fc8 [0,2,0,0,0,0|0,0,2]=4 13792 B13R0.150 C#CCCCCCCN[C@H](C)C(=O)O 6a637d798f56a27035c2535162a9c35f [0,2,0,0,0,0|0,0,2]=4 13793 B13R0.150 C#CCCCCCCOC(C)C(=O)O fdc2ef28a0e73732704917f842ff0ebc [0,2,0,0,0,0|0,0,2]=4 13794 B13R0.150 C#CCCCCCCO[C@@H](C)C(=O)O 8531703e1091534966126f50f1734ba7 [0,2,0,0,0,0|0,0,2]=4 13795 B13R0.150 C#CCCCCCCO[C@H](C)C(=O)O ab968f7b549daefdd5bde4422f43c41b [0,2,0,0,0,0|0,0,2]=4 13796 B13R0.150 C#CCCCCCNCC(C)C(=O)O 0058993a40bf3833e85b9dc45c7d9a0e [0,2,0,0,0,0|0,0,2]=4 13797 B13R0.150 C#CCCCCCNCC(F)C(=O)O f6cf8fd014ea6d7165072f0d900470f7 [0,2,0,0,0,0|0,0,2]=4 13798 B13R0.150 C#CCCCCCNCC(O)C(=O)O 3fb10571425312bac4349f27e08708de [0,2,0,0,0,0|0,0,2]=4 13799 B13R0.150 C#CCCCCCNC[C@@H](C)C(=O)O c212c642cd1b0f7cc578f6aafdf46b4f [0,2,0,0,0,0|0,0,2]=4 13800 B13R0.150 C#CCCCCCNC[C@@H](O)C(=O)O cfb2e10dd94e7c85fab17ddd42ab3592 [0,2,0,0,0,0|0,0,2]=4 13801 B13R0.150 C#CCCCCCNC[C@H](C)C(=O)O c91b03ba725690b149c8d86fdb3a4975 [0,2,0,0,0,0|0,0,2]=4 13802 B13R0.150 C#CCCCCCNC[C@H](O)C(=O)O 0604697eb71ee1fe0acdf957aa9c6f52 [0,2,0,0,0,0|0,0,2]=4 13803 B13R0.150 C#CCCCCCOCC(C)C(=O)O e1f8248d9d25e0eee794fc24d0007306 [0,2,0,0,0,0|0,0,2]=4 13804 B13R0.150 C#CCCCCCOC[C@@H](C)C(=O)O 102b49e336041d2b2b8ab2eed6233642 [0,2,0,0,0,0|0,0,2]=4 13805 B13R0.150 C#CCCCCCOC[C@H](C)C(=O)O 7eded363eb150882939fb2135392e729 [0,2,0,0,0,0|0,0,2]=4 13806 B13R0.150 C#CCCCCNCCC(F)C(=O)O b6683535c5034dfb7a1764deb98d896f [0,2,0,0,0,0|0,0,2]=4 13807 B13R0.150 C#CCCCCNCCC(O)C(=O)O 8050a8dda6c88e322918c574d0695a95 [0,2,0,0,0,0|0,0,2]=4 13808 B13R0.150 C#CCCCCNCC[C@H](O)C(=O)O c80066e56c1978798489c577f9340f3a [0,2,0,0,0,0|0,0,2]=4 13809 B13R0.150 C#CCCCNCCCC(C)C(=O)O 2a0169b3a4f8b59aa58d81a6963052ec [0,2,0,0,0,0|0,0,2]=4 13810 B13R0.150 C#CCCCOCCCC(C)C(=O)O 9a1499b41c98c20b419830b73f6442e1 [0,2,0,0,0,0|0,0,2]=4 13811 B13R0.150 C/C=C/CCOCCCC(C)C(=O)O 9fc26349c61df3c8afa9c32b086ccbdb [0,2,0,0,0,0|0,0,2]=4 13812 B13R0.150 C/C=C\CCCNCCC(F)C(=O)O 85767e57c7711e4a334bfea6aae7ed9d [0,2,0,0,0,0|0,0,2]=4 13813 B13R0.150 C/C=C\CCCNCCC(O)C(=O)O c155bf7933dc5d66662b7eaa000e1412 [0,2,0,0,0,0|0,0,2]=4 13814 B13R0.150 C/C=C\CCCNCC[C@H](O)C(=O)O 07f42eae77cf9542ebec2123f2f7e464 [0,2,0,0,0,0|0,0,2]=4 13815 B13R0.150 C=C(Br)C(=O)NCCCCCCCC e2f4e3d10ecaa10c7180fcef071a3e18 [0,2,0,0,0,0|2,0,0]=4 13816 B13R0.150 C=C(C)C(=O)NCCCCCCCC dd0da9a718ada93b8678e38f6eb1d013 [0,2,0,0,0,0|2,0,0]=4 13817 B13R0.150 C=C(CNCCCCCCC)C(=O)O 92c1dc395e5913fa27b11e12a364d4c0 [0,2,0,0,0,0|0,0,1]=3 13818 B13R0.150 C=C(CNCCCCCCCl)C(=O)O afaa81c0ca30d8aa406a698c7f340061 [0,2,0,0,0,0|1,0,1]=4 13819 B13R0.150 C=C(CNCCCCCCO)C(=O)O 71cd82e44049c106ba9e7c7cac0097be [0,2,0,0,0,0|1,0,1]=4 13820 B13R0.150 C=C(CNCCCCCOC)C(=O)O 080b7d1f324a4e2fd0cb4a94d1168d1c [0,2,0,0,0,0|1,0,1]=4 13821 B13R0.150 C=C(CNCCCCSCC)C(=O)O 8e31c1c817c31a715bd4b962a36a9d49 [0,2,0,0,0,0|1,0,1]=4 13822 B13R0.150 C=C(CNCCCOCCC)C(=O)O 71c87fa08a10d2125487750d57e7f49a [0,2,0,0,0,0|1,0,1]=4 13823 B13R0.150 C=C(CNCCOCCCC)C(=O)O 8a21afc6f0f9210b7e5d0719fcb89019 [0,2,0,0,0,0|1,0,1]=4 13824 B13R0.150 C=C(COCCCCCCC)C(=O)O 5aa41217c02987d5f66d22e2222cf9ac [0,2,0,0,0,0|0,0,1]=3 13825 B13R0.150 C=C(COCCCCCCF)C(=O)O 73c6372c9ff7664d1639c3af35ae330c [0,2,0,0,0,0|1,0,1]=4 13826 B13R0.150 C=C(COCCCCCCS)C(=O)O 4b55abce143f64ce5b50898164e5b668 [0,2,0,0,0,0|1,0,1]=4 13827 B13R0.150 C=C(COCCCCCOC)C(=O)O 1b8b32809bfee23dd02500ac7510ef7b [0,2,0,0,0,0|1,0,1]=4 13828 B13R0.150 C=C(COCCCOCCC)C(=O)O a108e2379a90c7f4b7dbd8a1594590b7 [0,2,0,0,0,0|1,0,1]=4 13829 B13R0.150 C=C(COCCOCCCC)C(=O)O 7b07a49c3c6446707d7531a8141e66a2 [0,2,0,0,0,0|1,0,1]=4 13830 B13R0.150 C=C(COCCSCCCC)C(=O)O 1199181c8ec0a31c1a2add12f3556108 [0,2,0,0,0,0|1,0,1]=4 13831 B13R0.150 C=C(Cl)C(=O)NCCCCCCCC 98a3aa2371a52c17e21176ee256a248d [0,2,0,0,0,0|2,0,0]=4 13832 B13R0.150 C=C(F)C(=O)NCCCCCCCC 67bf1a8d2738a5eabf9954843703e6a2 [0,2,0,0,0,0|2,0,0]=4 13833 B13R0.150 C=C(I)[C@H](C)CNCCCCCCC bed6d2189f65576781d2b50e11506824 [0,2,0,0,0,0|2,0,0]=4 13834 B13R0.150 C=C(I)[C@H](C)COCCCCCCC e28a8af84a9f3e87a0de2c0e8507d2c8 [0,2,0,0,0,0|2,0,0]=4 13835 B13R0.150 C=CCCCCCCNC(C)C(=O)O 93c7c59c644192ab236623c9c5590be7 [0,2,0,0,0,0|0,0,2]=4 13836 B13R0.150 C=CCCCCCCNC(O)C(=O)O 9a96cdc3629b2a6b799e84c59ce47e0d [0,2,0,0,0,0|0,0,2]=4 13837 B13R0.150 C=CCCCCCCN[C@@H](C)C(=O)O 8e52f72657076b7de54008bf81b0e347 [0,2,0,0,0,0|0,0,2]=4 13838 B13R0.150 C=CCCCCCCN[C@H](C)C(=O)O aeea84c1cc824dad79583df63d40fb92 [0,2,0,0,0,0|0,0,2]=4 13839 B13R0.150 C=CCCCCCCOC(C)C(=O)O 30003252ef81c7106f8b7d4a288f0bb4 [0,2,0,0,0,0|0,0,2]=4 13840 B13R0.150 C=CCCCCCCOC(F)C(=O)O b6cc02224620ec08e4e6b631f5fde854 [0,2,0,0,0,0|0,0,2]=4 13841 B13R0.150 C=CCCCCCCO[C@@H](C)C(=O)O 35151f181cdd41b076acfcd28313294b [0,2,0,0,0,0|0,0,2]=4 13842 B13R0.150 C=CCCCCCCO[C@@H](F)C(=O)O b45b95ad7f0ad84400c0150596d5d837 [0,2,0,0,0,0|0,0,2]=4 13843 B13R0.150 C=CCCCCCCO[C@H](C)C(=O)O 2e0b39e08b17349d425434a2c2da97d6 [0,2,0,0,0,0|0,0,2]=4 13844 B13R0.150 C=CCCCCCNCC(C)C(=O)O 9441d46a15c2bec699abd0cf290da249 [0,2,0,0,0,0|0,0,2]=4 13845 B13R0.150 C=CCCCCCNCC(F)C(=O)O 19a52492f1eba7181f3b32f15b5dc16b [0,2,0,0,0,0|0,0,2]=4 13846 B13R0.150 C=CCCCCCNCC(O)C(=O)O 4d44dfe1b751fe4796bea1e688f9322a [0,2,0,0,0,0|0,0,2]=4 13847 B13R0.150 C=CCCCCCNC[C@@H](C)C(=O)O 33ef1ac436cd1ff01596f6081c9367fe [0,2,0,0,0,0|0,0,2]=4 13848 B13R0.150 C=CCCCCCNC[C@@H](O)C(=O)O 02db5d865ea4e65ad72ea70eecf582b1 [0,2,0,0,0,0|0,0,2]=4 13849 B13R0.150 C=CCCCCCNC[C@H](C)C(=O)O 6a4b86ed2be81998f375419b13a2fd08 [0,2,0,0,0,0|0,0,2]=4 13850 B13R0.150 C=CCCCCCNC[C@H](O)C(=O)O d6c8981e0421d39f174444ca89d460ff [0,2,0,0,0,0|0,0,2]=4 13851 B13R0.150 C=CCCCCCOCC(C)C(=O)O 7f686e02307ee8eee250298e6d1df3dd [0,2,0,0,0,0|0,0,2]=4 13852 B13R0.150 C=CCCCCCOC[C@@H](C)C(=O)O 6b57cfb326ce068b90ea10dc3fec9baf [0,2,0,0,0,0|0,0,2]=4 13853 B13R0.150 C=CCCCCCOC[C@H](C)C(=O)O af3f5f88025b85ec6db9306c46cb1c81 [0,2,0,0,0,0|0,0,2]=4 13854 B13R0.150 C=CCCCCNCCC(F)C(=O)O 46435dfdd43d2096fa1e3a085a4b0435 [0,2,0,0,0,0|0,0,2]=4 13855 B13R0.150 C=CCCCCNCCC(O)C(=O)O e42faf9d949b49977bdc2293a6ce0886 [0,2,0,0,0,0|0,0,2]=4 13856 B13R0.150 C=CCCCCNCC[C@H](O)C(=O)O 3b1d9c9c42dfb36b73b397dc55e2b2dd [0,2,0,0,0,0|0,0,2]=4 13857 B13R0.150 C=CCCCNCCCC(C)C(=O)O 9484944bf2e0a680402ac9852bc56fe9 [0,2,0,0,0,0|0,0,2]=4 13858 B13R0.150 C=CCCCOCCCC(C)C(=O)O b18f427ed70c8ef488e401ca445bce24 [0,2,0,0,0,0|0,0,2]=4 13859 B13R0.150 CC#CCCOCCCC(C)C(=O)O 985e86332493d92135909e0f7b8088eb [0,2,0,0,0,0|0,0,2]=4 13860 B13R0.150 CC(=O)C(C)CCNCCCCCO 8ea02f8662880fb31b1d086fed24f6b3 [0,2,0,0,0,0|2,0,0]=4 13861 B13R0.150 CC(=O)C(C)COCCCCCCF 12e7c43f8a13e624b77250149206f39e [0,2,0,0,0,0|2,0,0]=4 13862 B13R0.150 CC(=O)C(C)NCCCCCCCO 8978d74530170d07235bcf279430674e [0,2,0,0,0,0|2,0,0]=4 13863 B13R0.150 CC(CCCNCCCC#N)C(=O)O 47572f2135549d8ddd1fd6ee8e5cf0fa [0,2,0,0,0,0|1,0,1]=4 13864 B13R0.150 CC(CCCNCCCCCl)C(=O)O ef4c968bd84a96a47f68e39b6b5a99ed [0,2,0,0,0,0|1,0,0]=3 13865 B13R0.150 CC(CCCNCCCCO)C(=O)O d2831c0515a7b3826d00b415c4a2b67e [0,2,0,0,0,0|1,0,0]=3 13866 B13R0.150 CC(CCCNCCCCS)C(=O)O eea6d655ac550d16dec78e53f3e01b14 [0,2,0,0,0,0|1,0,0]=3 13867 B13R0.150 CC(CCCOCCCC#N)C(=O)O 29adb5db03189cc8b2e082e7c934d0ef [0,2,0,0,0,0|1,0,1]=4 13868 B13R0.150 CC(CCCOCCCC=O)C(=O)O c5a670453cadca87409b200e52aa5f44 [0,2,0,0,0,0|1,0,1]=4 13869 B13R0.150 CC(CCCOCCCCF)C(=O)O cb25041974d5ad8e4475cd5e47944eed [0,2,0,0,0,0|1,0,0]=3 13870 B13R0.150 CC(CCCOCCCCS)C(=O)O d190c1636241533a6b129cb55798efb1 [0,2,0,0,0,0|1,0,0]=3 13871 B13R0.150 CC(CNCCCCCC#N)C(=O)O 788c464e0be9ab639134f5a71dca44d4 [0,2,0,0,0,0|1,0,1]=4 13872 B13R0.150 CC(CNCCCCCC=O)C(=O)O 8adf204037346236adc5a1b7a1ea0112 [0,2,0,0,0,0|1,0,1]=4 13873 B13R0.150 CC(CNCCCCCCCl)C(=O)O 99ff17a72f69dba6090ba1ef79063cdb [0,2,0,0,0,0|1,0,0]=3 13874 B13R0.150 CC(CNCCCCCCF)C(=O)O f9151c5ed56155d5220ad7987fe2258d [0,2,0,0,0,0|1,0,0]=3 13875 B13R0.150 CC(CNCCCCCCO)C(=O)O 704b913840e868c21e4f31f7c73363bd [0,2,0,0,0,0|1,0,0]=3 13876 B13R0.150 CC(CNCCCOCCO)C(=O)O 2261d57d9cc8bafcf312d1755861f51e [0,2,0,0,0,0|2,0,0]=4 13877 B13R0.150 CC(CNCCOCCCO)C(=O)O 01b3274c7a0f24ac9d28a5e6723ea710 [0,2,0,0,0,0|2,0,0]=4 13878 B13R0.150 CC(COCCCCCC#N)C(=O)O 04f9bf73be63448ec7887f44d1bbdfc6 [0,2,0,0,0,0|1,0,1]=4 13879 B13R0.150 CC(COCCCCCC=O)C(=O)O c64cd5c1a77a100789205da352c8457a [0,2,0,0,0,0|1,0,1]=4 13880 B13R0.150 CC(COCCCCCCF)C(=O)O 2d5e0f0e990e83907d7a156216e210e6 [0,2,0,0,0,0|1,0,0]=3 13881 B13R0.150 CC(COCCCCCCS)C(=O)O 3349025727b2ebe146bd6dc85fcdd342 [0,2,0,0,0,0|1,0,0]=3 13882 B13R0.150 CC(CSCCNCCCF)C(=O)O 2594eee8bdca63252c79ac87552002b7 [0,2,0,0,0,0|2,0,0]=4 13883 B13R0.150 CC(CSCCNCCCO)C(=O)O 2d2da227c3ca38c9309b5cc4f510c61c [0,2,0,0,0,0|2,0,0]=4 13884 B13R0.150 CC(NCCCCCCC#N)C(=O)O c868ea7cd9331e96fbebc46482b76e43 [0,2,0,0,0,0|1,0,1]=4 13885 B13R0.150 CC(NCCCCCCC=O)C(=O)O 129f376af8d745657d0ed3289edacf37 [0,2,0,0,0,0|1,0,1]=4 13886 B13R0.150 CC(NCCCCCCCO)C(=O)N 149aa2a2115fe365decc9fa7a8edae01 [0,2,0,0,0,0|2,0,0]=4 13887 B13R0.150 CC(NCCCCCCCO)C(=O)O cd67b3bdd9b465604db20b8b96861895 [0,2,0,0,0,0|1,0,0]=3 13888 B13R0.150 CC(NCCCCSCCO)C(=O)O d74b4d0e0542f8bdfdd56d6bbc19a833 [0,2,0,0,0,0|2,0,0]=4 13889 B13R0.150 CC(NCCCOCCCO)C(=O)O 9944ce335c2e600fddc3220b2b413852 [0,2,0,0,0,0|2,0,0]=4 13890 B13R0.150 CC(O)C(=O)NCCCCCCCO 0a63cd2e6a618c21b25385a113d15e7e [0,2,0,0,0,0|2,0,0]=4 13891 B13R0.150 CC(OCCCCCCC#N)C(=O)O a2372a9c2150b1efa2c5095e74ce316e [0,2,0,0,0,0|1,0,1]=4 13892 B13R0.150 CC(OCCCCCCC=O)C(=O)O 5c60dc501193bb20f56d009e574dadb6 [0,2,0,0,0,0|1,0,1]=4 13893 B13R0.150 CC/C=C/COCCCC(C)C(=O)O 48b8a7f95ee18b34fe39e9678bba9c36 [0,2,0,0,0,0|0,0,2]=4 13894 B13R0.150 CC/C=C\CCCCOC(C)C(=O)O 694f786748367af2bb3197ab44e25810 [0,2,0,0,0,0|0,0,2]=4 13895 B13R0.150 CC/C=C\CCCCOC(F)C(=O)O 4196929abdd61c08d2ce1a37dda008e8 [0,2,0,0,0,0|0,0,2]=4 13896 B13R0.150 CC/C=C\CCCCO[C@@H](C)C(=O)O d7ff184d1390f627af92c4604f05bbe3 [0,2,0,0,0,0|0,0,2]=4 13897 B13R0.150 CC/C=C\CCCCO[C@@H](F)C(=O)O 885a3cbc4fbbb70f1b2e311fac77eae0 [0,2,0,0,0,0|0,0,2]=4 13898 B13R0.150 CC/C=C\CCCCO[C@H](C)C(=O)O 87e254265240929aa011c91a4bf3965a [0,2,0,0,0,0|0,0,2]=4 13899 B13R0.150 CC/C=C\CCCOCC(C)C(=O)O 0db697179ad96f49f4aedaee1a7270be [0,2,0,0,0,0|0,0,2]=4 13900 B13R0.150 CC/C=C\CCNCCC(F)C(=O)O 4fa1640693cc5392d645ae39bd2e1f6c [0,2,0,0,0,0|0,0,2]=4 13901 B13R0.150 CC/C=C\CCNCCC(O)C(=O)O 2dc94e133e8f0f04ece744381a74d4f5 [0,2,0,0,0,0|0,0,2]=4 13902 B13R0.150 CC/C=C\CCNCC[C@H](O)C(=O)O e4ab5b296ee7e32175c5f7cb93ac4fe9 [0,2,0,0,0,0|0,0,2]=4 13903 B13R0.150 CC/C=C\COCCCC(C)C(=O)O bd1b56e1b037e2e79ce2f000da1ac11b [0,2,0,0,0,0|0,0,2]=4 13904 B13R0.150 CCC#CCOCCCC(C)C(=O)O ac53c9a462ac2cd0eed2dff21ccf19cf [0,2,0,0,0,0|0,0,2]=4 13905 B13R0.150 CCC/C=C/CCCOC(C)C(=O)O b6bb086f041505a7d82e23ee39d6f7a5 [0,2,0,0,0,0|0,0,2]=4 13906 B13R0.150 CCC/C=C/CCCOC(F)C(=O)O da959f7e78ad54416a7c7654c620ad07 [0,2,0,0,0,0|0,0,2]=4 13907 B13R0.150 CCC/C=C/CCCO[C@@H](C)C(=O)O 4d944d055e662985149c7dc3466086ab [0,2,0,0,0,0|0,0,2]=4 13908 B13R0.150 CCC/C=C/CCCO[C@@H](F)C(=O)O 59e8a654752a2a2216849d59ca134d27 [0,2,0,0,0,0|0,0,2]=4 13909 B13R0.150 CCC/C=C/CCCO[C@H](C)C(=O)O 7c1cc8f6929ad339d8a4233a273dd39d [0,2,0,0,0,0|0,0,2]=4 13910 B13R0.150 CCC/C=C/CNCCC(F)C(=O)O dc534a49adf2bb1779a90e07f93e4c75 [0,2,0,0,0,0|0,0,2]=4 13911 B13R0.150 CCC/C=C/CNCCC(O)C(=O)O a42f1a1af960616106e1bc30ca745207 [0,2,0,0,0,0|0,0,2]=4 13912 B13R0.150 CCC/C=C/CNCC[C@H](O)C(=O)O 5864e8e3d96414308bf48210b9dc54ee [0,2,0,0,0,0|0,0,2]=4 13913 B13R0.150 CCC/C=C\CCCOC(C)C(=O)O febf847ff7ddc30eedd67372b8440332 [0,2,0,0,0,0|0,0,2]=4 13914 B13R0.150 CCC/C=C\CCCOC(F)C(=O)O 9d74c0d4310f4a90cb0fb3655e857335 [0,2,0,0,0,0|0,0,2]=4 13915 B13R0.150 CCC/C=C\CCCO[C@@H](C)C(=O)O b37512bad36342be2b492bffdbebb3cb [0,2,0,0,0,0|0,0,2]=4 13916 B13R0.150 CCC/C=C\CCCO[C@@H](F)C(=O)O 12a8862bee9628f2f3f7d397e1e1cad9 [0,2,0,0,0,0|0,0,2]=4 13917 B13R0.150 CCC/C=C\CCCO[C@H](C)C(=O)O 37f3447044cbf5e976bad13b6819e13e [0,2,0,0,0,0|0,0,2]=4 13918 B13R0.150 CCC/C=C\CCOCC(C)C(=O)O f7e144b287e32f2502bb741e8124773a [0,2,0,0,0,0|0,0,2]=4 13919 B13R0.150 CCC/C=C\CNCCC(F)C(=O)O a29dadde88a6712b2e02ad7841810554 [0,2,0,0,0,0|0,0,2]=4 13920 B13R0.150 CCC/C=C\CNCCC(O)C(=O)O 7ff63cf27c89112b7e665d77f6fb2be5 [0,2,0,0,0,0|0,0,2]=4 13921 B13R0.150 CCC/C=C\CNCC[C@H](O)C(=O)O 59fcb03ffea27c0518c5690685d00943 [0,2,0,0,0,0|0,0,2]=4 13922 B13R0.150 CCCC#CCCOCC(C)C(=O)O 5a66b84c4784737ed606bb53b580fe7c [0,2,0,0,0,0|0,0,2]=4 13923 B13R0.150 CCCC/C=C/CNCC(C)C(=O)O 4b50a3427a71be25b32d3095ac4c35df [0,2,0,0,0,0|0,0,2]=4 13924 B13R0.150 CCCC/C=C/CNCC(F)C(=O)O 87830b0b15bf73115a7ace0209a71f1c [0,2,0,0,0,0|0,0,2]=4 13925 B13R0.150 CCCC/C=C/CNCC(O)C(=O)O 6564ab5e9e4163fb2fea08c3ba6ad8c7 [0,2,0,0,0,0|0,0,2]=4 13926 B13R0.150 CCCC/C=C/CNC[C@@H](C)C(=O)O 1cd66a1939eb8c515f4f752c1f02c649 [0,2,0,0,0,0|0,0,2]=4 13927 B13R0.150 CCCC/C=C/CNC[C@@H](O)C(=O)O bd510db667338cf62d194c10a9ea950e [0,2,0,0,0,0|0,0,2]=4 13928 B13R0.150 CCCC/C=C/CNC[C@H](C)C(=O)O 4257af0c14ca1188c4523ffacba878b7 [0,2,0,0,0,0|0,0,2]=4 13929 B13R0.150 CCCC/C=C/CNC[C@H](O)C(=O)O 9b7458479665e860e262ff2cf1f41289 [0,2,0,0,0,0|0,0,2]=4 13930 B13R0.150 CCCC/C=C/COCC(C)C(=O)O e03962754bd837eab5fac30736e1e805 [0,2,0,0,0,0|0,0,2]=4 13931 B13R0.150 CCCC/C=C/COC[C@@H](C)C(=O)O 5d9185a415eb0a97d62b2ac0c95f17f8 [0,2,0,0,0,0|0,0,2]=4 13932 B13R0.150 CCCC/C=C/COC[C@H](C)C(=O)O c1820f70d73f7a784a4971ca52c3951a [0,2,0,0,0,0|0,0,2]=4 13933 B13R0.150 CCCC/C=C\CCOC(C)C(=O)O 9ee042a7dc7ce55aeb77dc0053b83836 [0,2,0,0,0,0|0,0,2]=4 13934 B13R0.150 CCCC/C=C\CCOC(F)C(=O)O 57c7d3e932d159637d1ad92fb9edd97d [0,2,0,0,0,0|0,0,2]=4 13935 B13R0.150 CCCC/C=C\CCO[C@@H](C)C(=O)O b7419afed20c84cadeaf0e1c08a19362 [0,2,0,0,0,0|0,0,2]=4 13936 B13R0.150 CCCC/C=C\CCO[C@@H](F)C(=O)O ec29108e4d922e1961a5a0006d3fa3d6 [0,2,0,0,0,0|0,0,2]=4 13937 B13R0.150 CCCC/C=C\CCO[C@H](C)C(=O)O 6e5774d7748615a77eaeed19000e5432 [0,2,0,0,0,0|0,0,2]=4 13938 B13R0.150 CCCC/C=C\CNCC(C)C(=O)O b48a02f8f7919d8e2d5336003de5457a [0,2,0,0,0,0|0,0,2]=4 13939 B13R0.150 CCCC/C=C\CNCC(F)C(=O)O ae1709aba84f11057f8e283c3ff4a633 [0,2,0,0,0,0|0,0,2]=4 13940 B13R0.150 CCCC/C=C\CNCC(O)C(=O)O be03aa496c6a8d84d45bea041a19b113 [0,2,0,0,0,0|0,0,2]=4 13941 B13R0.150 CCCC/C=C\CNC[C@@H](C)C(=O)O ec87f950cc7b80a045aab0f22652d116 [0,2,0,0,0,0|0,0,2]=4 13942 B13R0.150 CCCC/C=C\CNC[C@@H](O)C(=O)O 4a5e55e41cd0ad55f21323f40161c480 [0,2,0,0,0,0|0,0,2]=4 13943 B13R0.150 CCCC/C=C\CNC[C@H](C)C(=O)O e5dd4d145ca1c9290beb5bbfe48da7e6 [0,2,0,0,0,0|0,0,2]=4 13944 B13R0.150 CCCC/C=C\CNC[C@H](O)C(=O)O bb72306d812459e4b5264bf3b0e7b65b [0,2,0,0,0,0|0,0,2]=4 13945 B13R0.150 CCCC/C=C\COCC(C)C(=O)O 233ec4496b8315981ea751256a16e75f [0,2,0,0,0,0|0,0,2]=4 13946 B13R0.150 CCCC/C=C\COC[C@@H](C)C(=O)O b3d5641771fefb4f6380a6677666ce50 [0,2,0,0,0,0|0,0,2]=4 13947 B13R0.150 CCCC/C=C\COC[C@H](C)C(=O)O 75c1a194b3f8086148c077dcf2ca96a7 [0,2,0,0,0,0|0,0,2]=4 13948 B13R0.150 CCCCC#CCOCC(C)C(=O)O cb8e9dc3437be37539bc12102d66ec87 [0,2,0,0,0,0|0,0,2]=4 13949 B13R0.150 CCCCC/C=C/COC(C)C(=O)O 11a9ff8aa3e7e2a599b482680c7a28a8 [0,2,0,0,0,0|0,0,2]=4 13950 B13R0.150 CCCCC/C=C/COC(F)C(=O)O 1a80fe33ea0d7678986a197e652cef4b [0,2,0,0,0,0|0,0,2]=4 13951 B13R0.150 CCCCC/C=C/CO[C@@H](C)C(=O)O 778472bf46de46ce77a32ed8e6ed128d [0,2,0,0,0,0|0,0,2]=4 13952 B13R0.150 CCCCC/C=C/CO[C@@H](F)C(=O)O a633fed3e7eb726ac93c734b51c43d35 [0,2,0,0,0,0|0,0,2]=4 13953 B13R0.150 CCCCC/C=C/CO[C@H](C)C(=O)O 173cb480c44ede620ff1ac4bf97c9203 [0,2,0,0,0,0|0,0,2]=4 13954 B13R0.150 CCCCCC#CCOC(C)C(=O)O a28c3b44d4247edffa71a68b0251907e [0,2,0,0,0,0|0,0,2]=4 13955 B13R0.150 CCCCCC#CCO[C@@H](C)C(=O)O 1df26a864eb8fb3e0bb6b41f3fb8cf06 [0,2,0,0,0,0|0,0,2]=4 13956 B13R0.150 CCCCCC#CCO[C@H](C)C(=O)O edbc58f5ff73509cab3804cfcf80dfa8 [0,2,0,0,0,0|0,0,2]=4 13957 B13R0.150 CCCCCCCCCN(C)C(=O)C 4ce46f667b929d4e88e4fb2596f1be91 [0,2,0,0,0,0|1,0,0]=3 13958 B13R0.150 CCCCCCCCNC(=O)C(=O)C 4cef2fd6a0b373dcedc14af812dcd3a6 [0,2,0,0,0,0|1,0,1]=4 13959 B13R0.150 CCCCCCCCNC(=O)C(=O)N 16b5abd41122c79458c1a910fe8813a4 [0,2,0,0,0,0|1,0,1]=4 13960 B13R0.150 CCCCCCCCNC(=O)C(C)F 07713a6c7977a543a6db7169019fca47 [0,2,0,0,0,0|2,0,0]=4 13961 B13R0.150 CCCCCCCCNC(=O)C(C)O f185ca071ff17d7f856ab232d8c5b59e [0,2,0,0,0,0|1,0,0]=3 13962 B13R0.150 CCCCCCCCNC(=O)C(C)S f44db3dff6aa35bdda12834f9f240325 [0,2,0,0,0,0|1,1,0]=4 13963 B13R0.150 CCCCCCCCNC(=O)C(F)F e59ceca883b0ab78a419ae959d357e19 [0,2,0,0,0,0|2,0,0]=4 13964 B13R0.150 CCCCCCCCNC(=O)C(O)O 58e54bf3a84435b63072b6ff45a30dad [0,2,0,0,0,0|1,0,0]=3 13965 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)F cbf9adc913ddc642eb41ccd9d11877e4 [0,2,0,0,0,0|2,0,0]=4 13966 B13R0.150 CCCCCCCCNC(=O)[C@@H](C)O 0ad26fd6a6b567d0bc6fda38f7af2a80 [0,2,0,0,0,0|1,0,0]=3 13967 B13R0.150 CCCCCCCCNC(=O)[C@H](C)F 6f5314c007db2d3e0c5dcdaff5b4f56f [0,2,0,0,0,0|2,0,0]=4 13968 B13R0.150 CCCCCCCCNC(=O)[C@H](C)O cfe57bc7060da09c84e60ea2a5d79103 [0,2,0,0,0,0|1,0,0]=3 13969 B13R0.150 CCCCCCCCNC(C)C(=O)C 1459bbc92e7b5f7a17fec002ab964f33 [0,2,0,0,0,0|1,0,0]=3 13970 B13R0.150 CCCCCCCCNC(C)C(=O)N e4ebda6bc259d729321b6fc987deb3ca [0,2,0,0,0,0|1,0,0]=3 13971 B13R0.150 CCCCCCCCNC(C)C(=O)O d6f8c027e017a35ea863c40c5d5e872c [0,2,0,0,0,0|0,0,0]=2 13972 B13R0.150 CCCCCCCCNC(C)C(C)O b62cd6976b8bc788bf42842f898deb68 [0,2,0,0,0,0|1,0,1]=4 13973 B13R0.150 CCCCCCCCNC(O)C(=O)O e546ba7c5e506f16bd015ac0879efd87 [0,2,0,0,0,0|0,0,0]=2 13974 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)N bc9e8436504e86e63e9b03076c7fb73a [0,2,0,0,0,0|1,0,0]=3 13975 B13R0.150 CCCCCCCCN[C@@H](C)C(=O)O 11e9c5e9510985757cd7889be10666e1 [0,2,0,0,0,0|0,0,0]=2 13976 B13R0.150 CCCCCCCCN[C@H](C)C(=O)N 4687529fa34b5e1df5b0c2206425e96d [0,2,0,0,0,0|1,0,0]=3 13977 B13R0.150 CCCCCCCCN[C@H](C)C(=O)O 1a584b7f3d283b1272f089a9e087d74c [0,2,0,0,0,0|0,0,0]=2 13978 B13R0.150 CCCCCCCCOC(C)C(=O)C 8cd3dddbc051d1eac5b7c1ae3cb72370 [0,2,0,0,0,0|1,0,0]=3 13979 B13R0.150 CCCCCCCCOC(C)C(=O)N fb1c2911358bf8399a54150413405891 [0,2,0,0,0,0|1,0,0]=3 13980 B13R0.150 CCCCCCCCOC(C)C(=O)O a716d333fb0c41371267c962cbd1e272 [0,2,0,0,0,0|0,0,0]=2 13981 B13R0.150 CCCCCCCCOC(F)C(=O)N 5056cc96e74ae55812e22060e0b8c80e [0,2,0,0,0,0|1,0,0]=3 13982 B13R0.150 CCCCCCCCOC(F)C(=O)O ac3e41ebc8f39d3691b31a06758489ae [0,2,0,0,0,0|0,0,0]=2 13983 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)N 489257109e9c334c82869eaa66d92ba2 [0,2,0,0,0,0|1,0,0]=3 13984 B13R0.150 CCCCCCCCO[C@@H](C)C(=O)O 9b78cd33b9e14c788888377db6793d99 [0,2,0,0,0,0|0,0,0]=2 13985 B13R0.150 CCCCCCCCO[C@@H](F)C(=O)O 42464b0788ea66d7d3ff94e507967e5e [0,2,0,0,0,0|0,0,0]=2 13986 B13R0.150 CCCCCCCCO[C@H](C)C(=O)N d57262cfbd0a8b535e7aae105c971af7 [0,2,0,0,0,0|1,0,0]=3 13987 B13R0.150 CCCCCCCCO[C@H](C)C(=O)O 3e6aed0c549b4e4b0ed51f9f9d86fe45 [0,2,0,0,0,0|0,0,0]=2 13988 B13R0.150 CCCCCCCNCC(=O)C(=O)C 2677a420959d47ed9b8b28be0aebc415 [0,2,0,0,0,0|1,0,1]=4 13989 B13R0.150 CCCCCCCNCC(=O)C(=O)O 319491fd482688efa912dc016937053f [0,2,0,0,0,0|0,0,1]=3 13990 B13R0.150 CCCCCCCNCC(=O)C(C)C 12f148f9a4570d4c8ffe36540439cda7 [0,2,0,0,0,0|2,0,0]=4 13991 B13R0.150 CCCCCCCNCC(=O)C(F)F 158d0c02412b02277dca4c5329ab3b33 [0,2,0,0,0,0|2,0,0]=4 13992 B13R0.150 CCCCCCCNCC(=O)N(C)C f9bcf2fdc99dbadb2a0e11df1a034457 [0,2,0,0,0,0|2,0,0]=4 13993 B13R0.150 CCCCCCCNCC(C)C(=O)O 8fae718df4f726dec88ceff796d9e3f2 [0,2,0,0,0,0|0,0,0]=2 13994 B13R0.150 CCCCCCCNCC(F)C(=O)O cb164482781e5eaee0bf7a307b0b488f [0,2,0,0,0,0|0,0,0]=2 13995 B13R0.150 CCCCCCCNCC(O)C(=O)O 292bb8647835e1f860f4cb5d50d8f66f [0,2,0,0,0,0|0,0,0]=2 13996 B13R0.150 CCCCCCCNC[C@@H](C)C(=O)O caf085d52da9e90d96a4bce72dd420c3 [0,2,0,0,0,0|0,0,0]=2 13997 B13R0.150 CCCCCCCNC[C@@H](O)C(=O)O 3111ea96af3c7259c2c3091e1aa2fa02 [0,2,0,0,0,0|0,0,0]=2 13998 B13R0.150 CCCCCCCNC[C@H](C)C(=O)O 07ee835fc48175fd2eb4608811fc5a6c [0,2,0,0,0,0|0,0,0]=2 13999 B13R0.150 CCCCCCCNC[C@H](O)C(=O)O b475f6f9855425df956a3f3e3ea1ce80 [0,2,0,0,0,0|0,0,0]=2 14000 B13R0.150 CCCCCCCOCC(=O)C(=O)C 146bdc4ccd26868adff2582c321f64c3 [0,2,0,0,0,0|1,0,1]=4 14001 B13R0.150 CCCCCCCOCC(=O)C(=O)O 9113b0107d51591b8d0daef45d2ce4f0 [0,2,0,0,0,0|0,0,1]=3 14002 B13R0.150 CCCCCCCOCC(=O)C(C)C 5025f96df0e4ff1d439f24c95a8b92ef [0,2,0,0,0,0|2,0,0]=4 14003 B13R0.150 CCCCCCCOCC(=O)C(F)F 8fe640f61798051ad38d734d1d39924c [0,2,0,0,0,0|2,0,0]=4 14004 B13R0.150 CCCCCCCOCC(=O)N(C)C 8f6c90b9195b5c534614d3c9d308c15c [0,2,0,0,0,0|2,0,0]=4 14005 B13R0.150 CCCCCCCOCC(C)C(=O)C db03c1e910e53f26bdaea57c8ac89903 [0,2,0,0,0,0|1,0,0]=3 14006 B13R0.150 CCCCCCCOCC(C)C(=O)O 63fc77a9f95e574aeaf922188d62d9f3 [0,2,0,0,0,0|0,0,0]=2 14007 B13R0.150 CCCCCCCOCC(C)[N+](=O)[O-] 6f694f22d470ff96afef76e15dbd314d [0,2,0,0,0,0|1,0,1]=4 14008 B13R0.150 CCCCCCCOC[C@@H](C)C(=O)O 99f3bb8c28e5646c045c65e0194a920b [0,2,0,0,0,0|0,0,0]=2 14009 B13R0.150 CCCCCCCOC[C@H](C)C(=O)O b6cdd13af5729a0209f9601268c3f1cb [0,2,0,0,0,0|0,0,0]=2 14010 B13R0.150 CCCCCCNCCC(=O)N(C)C 8b50b53e6b469472e99e3ca8e666a616 [0,2,0,0,0,0|2,0,0]=4 14011 B13R0.150 CCCCCCNCCC(F)C(=O)O f55a1e4c0034f19c1e0afc74baac971f [0,2,0,0,0,0|0,0,0]=2 14012 B13R0.150 CCCCCCNCCC(O)C(=O)O f191f5a2f362f13d4ab7448ee969fba1 [0,2,0,0,0,0|0,0,0]=2 14013 B13R0.150 CCCCCCNCC[C@H](O)C(=O)O ffd07623f824e77dd96930c0f6d57bec [0,2,0,0,0,0|0,0,0]=2 14014 B13R0.150 CCCCCCOCCC(=O)N(C)C c7dcb897bec22b54af6be5f44e402150 [0,2,0,0,0,0|2,0,0]=4 14015 B13R0.150 CCCCCCOCCN(C)C(=O)C 919f856a8273cf3e3a6de8051876c8f5 [0,2,0,0,0,0|2,0,0]=4 14016 B13R0.150 CCCCCNCCCC(=O)N(C)C 339c899ef554c6f785ce59c5ac074246 [0,2,0,0,0,0|2,0,0]=4 14017 B13R0.150 CCCCCNCCCC(C)C(=O)O 688463c2404f39b11301b956735ec733 [0,2,0,0,0,0|0,0,0]=2 14018 B13R0.150 CCCCCOCCCC(=O)N(C)C 1ef00a293fa59b6281f2a29c7255143f [0,2,0,0,0,0|2,0,0]=4 14019 B13R0.150 CCCCCOCCCC(C)C(=O)O eee1f42447d71872ede78795a01692d0 [0,2,0,0,0,0|0,0,0]=2 14020 B13R0.150 CCCCCOCCOC(C)C(=O)C a5218ce10610092bb33e6d75b4b1077b [0,2,0,0,0,0|2,0,0]=4 14021 B13R0.150 CCCCCOCCOC(C)C(=O)N 1860fecb55dbdb9a64234e3a37594f8c [0,2,0,0,0,0|2,0,0]=4 14022 B13R0.150 CCCCCOCCOC(C)C(=O)O 0b16b7613627a4f0b7f6b4ebb73392a3 [0,2,0,0,0,0|1,0,0]=3 14023 B13R0.150 CCCCCOCCOC(F)C(=O)N d982caf2fcc9bec447c1b470a468f6b3 [0,2,0,0,0,0|2,0,0]=4 14024 B13R0.150 CCCCCOCCOC(F)C(=O)O 4f1d6ca47dd5921297b07e0fe943bbef [0,2,0,0,0,0|1,0,0]=3 14025 B13R0.150 CCCCCOCCO[C@@H](C)C(=O)N a52470bd36233cab2a20b943977724f5 [0,2,0,0,0,0|2,0,0]=4 14026 B13R0.150 CCCCCOCCO[C@@H](C)C(=O)O db87f3ffe4de4ceb5acf3ef76e6dadc8 [0,2,0,0,0,0|1,0,0]=3 14027 B13R0.150 CCCCCOCCO[C@@H](F)C(=O)O 82dd7dea0f6c9fb0a4c11ea00ef79c7d [0,2,0,0,0,0|1,0,0]=3 14028 B13R0.150 CCCCCOCCO[C@H](C)C(=O)N edc3eb7b673a83017a08c82974860802 [0,2,0,0,0,0|2,0,0]=4 14029 B13R0.150 CCCCCOCCO[C@H](C)C(=O)O ba36aceb19f2e6b1b02f9c28b0bb5504 [0,2,0,0,0,0|1,0,0]=3 14030 B13R0.150 CCCCNCCCCC(=O)N(C)C 8b8755f1d6d33e7c5de5f6da01b6e412 [0,2,0,0,0,0|2,0,0]=4 14031 B13R0.150 CCCCNCCSCC(C)C(=O)O a85dca0ea3ea7fb2dc1c79d90babbad8 [0,2,0,0,0,0|1,0,0]=3 14032 B13R0.150 CCCCOCCCCC(=O)N(C)C 6e7e2b2d638737f4376e02069c1a511e [0,2,0,0,0,0|2,0,0]=4 14033 B13R0.150 CCCCOCCCNC(=O)C(C)O 05a3e621c8cf6118d6bea03fdae68a46 [0,2,0,0,0,0|2,0,0]=4 14034 B13R0.150 CCCCOCCCNC(=O)C(O)O ea409b738c0e5c75a17b25ba0bedbb6c [0,2,0,0,0,0|2,0,0]=4 14035 B13R0.150 CCCCOCCCNC(=O)[C@@H](C)O 9180bd3f09a6d6daedea754fbe6fa466 [0,2,0,0,0,0|2,0,0]=4 14036 B13R0.150 CCCCOCCCNC(=O)[C@H](C)O 44084305da0666dd316f94c404839c08 [0,2,0,0,0,0|2,0,0]=4 14037 B13R0.150 CCCCOCCCNC(C)C(=O)C 5b90b3c73767e79777107a4c41c5408c [0,2,0,0,0,0|2,0,0]=4 14038 B13R0.150 CCCCOCCCNC(C)C(=O)N 79b460587b44ae30e125e3ff8ffc02a0 [0,2,0,0,0,0|2,0,0]=4 14039 B13R0.150 CCCCOCCCNC(C)C(=O)O fffe24a3ad43eabb4eed239be4444feb [0,2,0,0,0,0|1,0,0]=3 14040 B13R0.150 CCCCOCCCNC(F)C(=O)N f3b490be76a403c9774c8c44e5ccf5ce [0,2,0,0,0,0|2,0,0]=4 14041 B13R0.150 CCCCOCCCNC(F)C(=O)O 36de84fab31bc37ee0b0909b2bb259b1 [0,2,0,0,0,0|1,0,0]=3 14042 B13R0.150 CCCCOCCCN[C@@H](C)C(=O)N d452fb1ebfffdc9719f2dc8c345e3d40 [0,2,0,0,0,0|2,0,0]=4 14043 B13R0.150 CCCCOCCCN[C@@H](C)C(=O)O e49f2e1558acc942d0d7f2f177353f89 [0,2,0,0,0,0|1,0,0]=3 14044 B13R0.150 CCCCOCCCN[C@@H](F)C(=O)O 3b3166f32ef89e965fc965c846018b6c [0,2,0,0,0,0|1,0,0]=3 14045 B13R0.150 CCCCOCCCN[C@H](C)C(=O)N 1921d8bf6b9d64da4eb4ab4a40f62fa4 [0,2,0,0,0,0|2,0,0]=4 14046 B13R0.150 CCCCOCCCN[C@H](C)C(=O)O fd4a732b8d6ea3404077107024615eda [0,2,0,0,0,0|1,0,0]=3 14047 B13R0.150 CCCCOCCCOC(C)C(=O)C ed6d52dbe265ce841f3fb357ef96b8e1 [0,2,0,0,0,0|2,0,0]=4 14048 B13R0.150 CCCCOCCCOC(C)C(=O)N a5cf58a85a3796b8f48c0c6d1d045cf7 [0,2,0,0,0,0|2,0,0]=4 14049 B13R0.150 CCCCOCCCOC(F)C(=O)N f2307eadab7f5f00c32e15e5b9c6c5f1 [0,2,0,0,0,0|2,0,0]=4 14050 B13R0.150 CCCCOCCCOC(F)C(=O)O cf9978f6868c7b98958ecab59cc66078 [0,2,0,0,0,0|1,0,0]=3 14051 B13R0.150 CCCCOCCCO[C@@H](C)C(=O)N 048bbfd9d9c601b9df448f8157b0a893 [0,2,0,0,0,0|2,0,0]=4 14052 B13R0.150 CCCCOCCCO[C@@H](F)C(=O)O fc712ce819b41c804e102acc7b89b2bb [0,2,0,0,0,0|1,0,0]=3 14053 B13R0.150 CCCCOCCCO[C@H](C)C(=O)N 29700227ddb76dbe94804badb22bc04b [0,2,0,0,0,0|2,0,0]=4 14054 B13R0.150 CCCCOCCNCC(=O)C(=O)O 08c0e53b69888710e64da4ba0e384b40 [0,2,0,0,0,0|1,0,1]=4 14055 B13R0.150 CCCCOCCNCC(C)C(=O)O b12ec01b111292fad8e8363cb2229cbe [0,2,0,0,0,0|1,0,0]=3 14056 B13R0.150 CCCCOCCNCC(F)C(=O)O e5038bdf765619fd0bf7a39408195aeb [0,2,0,0,0,0|1,0,0]=3 14057 B13R0.150 CCCCOCCNCC(O)C(=O)O 9ad2d3f44d501c5be8833d7063e7b40f [0,2,0,0,0,0|1,0,0]=3 14058 B13R0.150 CCCCOCCNC[C@@H](C)C(=O)O 8a15e25f8f6e2fd6f2715196bc720e1d [0,2,0,0,0,0|1,0,0]=3 14059 B13R0.150 CCCCOCCNC[C@@H](O)C(=O)O 11fbf2ccecc88657ee5afaaa58209e29 [0,2,0,0,0,0|1,0,0]=3 14060 B13R0.150 CCCCOCCNC[C@H](C)C(=O)O 20d98449107c2b6698428165d22f9b2e [0,2,0,0,0,0|1,0,0]=3 14061 B13R0.150 CCCCOCCNC[C@H](O)C(=O)O f9da33239baf95e61f1ac4936f213b79 [0,2,0,0,0,0|1,0,0]=3 14062 B13R0.150 CCCCOCCOCC(=O)C(=O)O fdc9aa094fd8572da569f207e37fa464 [0,2,0,0,0,0|1,0,1]=4 14063 B13R0.150 CCCCOCCOCC(C)C(=O)C 673f203916b9b72019d8cca5575361b3 [0,2,0,0,0,0|2,0,0]=4 14064 B13R0.150 CCCCOCCOCC(C)C(=O)O ec831a5cdf447ac506e039bc6e54cd00 [0,2,0,0,0,0|1,0,0]=3 14065 B13R0.150 CCCCOCCOC[C@@H](C)C(=O)O e2ed40b3a7ef7b1e21e5c32a0a476f95 [0,2,0,0,0,0|1,0,0]=3 14066 B13R0.150 CCCCOCCOC[C@H](C)C(=O)O e78f352064beea09f266d8a97f34ffa4 [0,2,0,0,0,0|1,0,0]=3 14067 B13R0.150 CCCCOCNCCC(F)C(=O)O b4f5abb66fdfe08c88df2b8c0d075583 [0,2,0,0,0,0|1,0,0]=3 14068 B13R0.150 CCCCOCNCCC(O)C(=O)O f5645eeaac3065a038279f34a21a77bc [0,2,0,0,0,0|1,0,0]=3 14069 B13R0.150 CCCCOCNCC[C@H](O)C(=O)O e7dadb22c2f3bdd1616ae986582ce35d [0,2,0,0,0,0|1,0,0]=3 14070 B13R0.150 CCCCSCCOCC(=O)C(=O)O e0a4568b5d3fdfd4b6d0ff9e4fe5ed30 [0,2,0,0,0,0|1,0,1]=4 14071 B13R0.150 CCCCSCCOCC(C)C(=O)O de4af2e5666a0754e8c18da6ed89f3ce [0,2,0,0,0,0|1,0,0]=3 14072 B13R0.150 CCCOCCCNCC(=O)C(=O)O ee1b8a621dc57ad81bfd2e3314443adf [0,2,0,0,0,0|1,0,1]=4 14073 B13R0.150 CCCOCCCNCC(C)C(=O)O cbecb0ba058558a61f8958efc9b2d17b [0,2,0,0,0,0|1,0,0]=3 14074 B13R0.150 CCCOCCCNCC(F)C(=O)O a3509a6882e3b0291da0c3dddc7ffa14 [0,2,0,0,0,0|1,0,0]=3 14075 B13R0.150 CCCOCCCNCC(O)C(=O)O d1908790063e4b396cf1d9257191f38d [0,2,0,0,0,0|1,0,0]=3 14076 B13R0.150 CCCOCCCNC[C@@H](C)C(=O)O 0cd80c94e93298138ecc3de1c0641e52 [0,2,0,0,0,0|1,0,0]=3 14077 B13R0.150 CCCOCCCNC[C@@H](O)C(=O)O b7600a13a49ab357de4855c078dd4a29 [0,2,0,0,0,0|1,0,0]=3 14078 B13R0.150 CCCOCCCNC[C@H](C)C(=O)O 6828393ec8f3a7acf80e2f53cd457044 [0,2,0,0,0,0|1,0,0]=3 14079 B13R0.150 CCCOCCCNC[C@H](O)C(=O)O ac24d7230be03abf10e72c577219afa3 [0,2,0,0,0,0|1,0,0]=3 14080 B13R0.150 CCCOCCCOCC(C)C(=O)C a1833e305e02b6cd27480b5ea2c9666c [0,2,0,0,0,0|2,0,0]=4 14081 B13R0.150 CCCOCCCOCC(C)C(=O)O fae363b7487cf52a9afb16d52f664bae [0,2,0,0,0,0|1,0,0]=3 14082 B13R0.150 CCCOCCCOC[C@@H](C)C(=O)O f7cd39b38ea93f41302543bd42ca39d3 [0,2,0,0,0,0|1,0,0]=3 14083 B13R0.150 CCCOCCCOC[C@H](C)C(=O)O a9c80cfdb3d9b9f7c6663b500844d097 [0,2,0,0,0,0|1,0,0]=3 14084 B13R0.150 CCCOCCNCCC(F)C(=O)O b6c1b22c385b0f880f45687190e2a101 [0,2,0,0,0,0|1,0,0]=3 14085 B13R0.150 CCCOCCNCCC(O)C(=O)O e76ddc526388390bbb8b27392a131e0f [0,2,0,0,0,0|1,0,0]=3 14086 B13R0.150 CCCOCCNCC[C@H](O)C(=O)O 4c6c9ebdb806d357f0793fd6a23bb5d1 [0,2,0,0,0,0|1,0,0]=3 14087 B13R0.150 CCCOCCOCCC(C)C(=O)C 69cf38c5f225476224fd49877baef5a1 [0,2,0,0,0,0|2,0,0]=4 14088 B13R0.150 CCCSCCCCNC(=O)C(C)O e3234c07772f3a7e389fedde318b6e86 [0,2,0,0,0,0|2,0,0]=4 14089 B13R0.150 CCCSCCCCNC(=O)C(O)O 6ad764a7f44ad35187654885726debfd [0,2,0,0,0,0|2,0,0]=4 14090 B13R0.150 CCCSCCCCNC(=O)[C@@H](C)O 785a209803713b5e04e071f246a8b873 [0,2,0,0,0,0|2,0,0]=4 14091 B13R0.150 CCCSCCCCNC(=O)[C@H](C)O 4df59a116dee4fbdcfa827dd01ffa91b [0,2,0,0,0,0|2,0,0]=4 14092 B13R0.150 CCCSCCCCNC(C)C(=O)C 7d214ffdb1e09815f43ce4ae032b8fef [0,2,0,0,0,0|2,0,0]=4 14093 B13R0.150 CCCSCCCCNC(C)C(=O)N 091f04083b8eddefa6862969d9a559c7 [0,2,0,0,0,0|2,0,0]=4 14094 B13R0.150 CCCSCCCCN[C@@H](C)C(=O)N 83a61ea98a9d9cbc6b936541ab8550ed [0,2,0,0,0,0|2,0,0]=4 14095 B13R0.150 CCCSCCCCN[C@H](C)C(=O)N 37c9bf2385f87e6374412a2b1f30306e [0,2,0,0,0,0|2,0,0]=4 14096 B13R0.150 CCOCCCNCCC(F)C(=O)O 5d2bec5ac40516860346fb53a88e72cf [0,2,0,0,0,0|1,0,0]=3 14097 B13R0.150 CCOCCCNCCC(O)C(=O)O cbf81c802fdb207c7fc35939d8702a3b [0,2,0,0,0,0|1,0,0]=3 14098 B13R0.150 CCOCCCNCC[C@H](O)C(=O)O 8ac32d94d581334417b33ce8252a0bb2 [0,2,0,0,0,0|1,0,0]=3 14099 B13R0.150 CCOCCCOCCC(C)C(=O)C adf1aa3e81f466c0773c936102fc5047 [0,2,0,0,0,0|2,0,0]=4 14100 B13R0.150 CCOCCNCCCC(C)C(=O)O b52f17e0799c9eb9c7353a88daa2b09b [0,2,0,0,0,0|1,0,0]=3 14101 B13R0.150 CCOCCOCCCC(C)C(=O)O 46f0c7e8a9d6a3d88c5d2a4727ac3f2b [0,2,0,0,0,0|1,0,0]=3 14102 B13R0.150 CCOCCOCCNC(C)C(=O)O 7b9ab561a1a1312f805edcc98e7d335c [0,2,0,0,0,0|2,0,0]=4 14103 B13R0.150 CCOCCOCCNC(F)C(=O)O 06545ae35c842a42c34ff8ee4c3633b2 [0,2,0,0,0,0|2,0,0]=4 14104 B13R0.150 CCOCCOCCNC(O)C(=O)O 9904d8b1ef64b964c39637fd622ba5e3 [0,2,0,0,0,0|2,0,0]=4 14105 B13R0.150 CCOCCOCCN[C@@H](C)C(=O)O 83a9c96d052e218e17caea0ffbdeeb15 [0,2,0,0,0,0|2,0,0]=4 14106 B13R0.150 CCOCCOCCN[C@@H](F)C(=O)O 1895e1d2618ddb59954cb6a4b6929996 [0,2,0,0,0,0|2,0,0]=4 14107 B13R0.150 CCOCCOCCN[C@H](C)C(=O)O 1e3fe4dce4cae41f8caec06f36ef8b5b [0,2,0,0,0,0|2,0,0]=4 14108 B13R0.150 CCOCCOCCOC(C)C(=O)O 8dd87dbdf6da1adb7bf81438b0fb5136 [0,2,0,0,0,0|2,0,0]=4 14109 B13R0.150 CCOCCOCCOC(F)C(=O)O d3b5fa55ddf1386b824856cd45bf8f79 [0,2,0,0,0,0|2,0,0]=4 14110 B13R0.150 CCOCCOCCO[C@@H](C)C(=O)O ac0528ce1d241dc7ea8d5977758d45d2 [0,2,0,0,0,0|2,0,0]=4 14111 B13R0.150 CCOCCOCCO[C@@H](F)C(=O)O fd1b171d006483fe6d982219e7715b0d [0,2,0,0,0,0|2,0,0]=4 14112 B13R0.150 CCOCCOCCO[C@H](C)C(=O)O dfe4648bb700b03c3ac1bd9ea5541763 [0,2,0,0,0,0|2,0,0]=4 14113 B13R0.150 CCOCNCCSCC(C)C(=O)O 1c43fc93d3097c33dc7d851cc9b5dcb0 [0,2,0,0,0,0|2,0,0]=4 14114 B13R0.150 CCSCCCCNCC(=O)C(=O)O 2b285659891f2df9ae169b05fd88b1f7 [0,2,0,0,0,0|1,0,1]=4 14115 B13R0.150 CCSCCCCNCC(C)C(=O)O 13045afe6caf948f6e9fb778df1d4789 [0,2,0,0,0,0|1,0,0]=3 14116 B13R0.150 CCSCCCCNCC(O)C(=O)O 9798d3cff662e0c3b08d2d1bf009b590 [0,2,0,0,0,0|1,0,0]=3 14117 B13R0.150 CCSCCCCNC[C@H](O)C(=O)O f85569964473269844e5d222b50077ed [0,2,0,0,0,0|1,0,0]=3 14118 B13R0.150 CCSCCNCCCC(C)C(=O)O 661815e576aa6474fa5d63973ed091ab [0,2,0,0,0,0|1,0,0]=3 14119 B13R0.150 CCSCCOCCCC(C)C(=O)O f1758d56bb602d352106aad6fdff3604 [0,2,0,0,0,0|1,0,0]=3 14120 B13R0.150 COCCCCCCNC(C)C(=O)N 08c46298b0eeb7a50557b35547492c55 [0,2,0,0,0,0|2,0,0]=4 14121 B13R0.150 COCCCCCCNC(C)C(=O)O a18eab3b74be6d1788b609a6b3bdeee0 [0,2,0,0,0,0|1,0,0]=3 14122 B13R0.150 COCCCCCCNC(O)C(=O)O 8b79adebe99e24f6f0116f05a31023ed [0,2,0,0,0,0|1,0,0]=3 14123 B13R0.150 COCCCCCCN[C@@H](C)C(=O)N ab410b703f247ff4663ac63c42f8bd51 [0,2,0,0,0,0|2,0,0]=4 14124 B13R0.150 COCCCCCCN[C@@H](C)C(=O)O 271893d1741e5305aa84b2a1b7d906cf [0,2,0,0,0,0|1,0,0]=3 14125 B13R0.150 COCCCCCCN[C@H](C)C(=O)N 119a30a22d6f2c3e5c0742f474d99d68 [0,2,0,0,0,0|2,0,0]=4 14126 B13R0.150 COCCCCCCN[C@H](C)C(=O)O 1e9e1aa7d73b2829047bbad9601f6668 [0,2,0,0,0,0|1,0,0]=3 14127 B13R0.150 COCCCCCCOC(C)C(=O)C 248899fffecb6e429a84d63f97658e20 [0,2,0,0,0,0|2,0,0]=4 14128 B13R0.150 COCCCCCCOC(C)C(=O)N b11b618acffd4c3cc651dba282a44ab9 [0,2,0,0,0,0|2,0,0]=4 14129 B13R0.150 COCCCCCCOC(C)C(=O)O 11ffba4f0403134e09bdae1088d0f9b4 [0,2,0,0,0,0|1,0,0]=3 14130 B13R0.150 COCCCCCCOC(F)C(=O)N 11366014406ec18011366dc1e725e75e [0,2,0,0,0,0|2,0,0]=4 14131 B13R0.150 COCCCCCCO[C@@H](C)C(=O)N 7f859b3188f86a7991bde89f36c670aa [0,2,0,0,0,0|2,0,0]=4 14132 B13R0.150 COCCCCCCO[C@@H](C)C(=O)O d48e4afbca6c0595c8562f4c165cb99f [0,2,0,0,0,0|1,0,0]=3 14133 B13R0.150 COCCCCCCO[C@H](C)C(=O)N de3e907b226b27f75de860c0c205c813 [0,2,0,0,0,0|2,0,0]=4 14134 B13R0.150 COCCCCCCO[C@H](C)C(=O)O 27be50c81349571ee5f841ed815bc81e [0,2,0,0,0,0|1,0,0]=3 14135 B13R0.150 COCCCCCNCC(=O)C(=O)O 54045d593ca04f584d7968a803ce1e27 [0,2,0,0,0,0|1,0,1]=4 14136 B13R0.150 COCCCCCNCC(C)C(=O)O 39babc9f573719f91674e83f7c6c3c97 [0,2,0,0,0,0|1,0,0]=3 14137 B13R0.150 COCCCCCNCC(F)C(=O)O e0f0f4b6e14bdcbbe37e35730d3c93e2 [0,2,0,0,0,0|1,0,0]=3 14138 B13R0.150 COCCCCCNCC(O)C(=O)O af82459fb6982cc39748a20b7cadb34e [0,2,0,0,0,0|1,0,0]=3 14139 B13R0.150 COCCCCCNC[C@@H](C)C(=O)O 9a878670967f4705ba28e4facdc590a2 [0,2,0,0,0,0|1,0,0]=3 14140 B13R0.150 COCCCCCNC[C@@H](O)C(=O)O 939e9a4f26f42f9c10b6e8a994ccf7ba [0,2,0,0,0,0|1,0,0]=3 14141 B13R0.150 COCCCCCNC[C@H](C)C(=O)O 58f88e5d6b1da309c713143ecf45c497 [0,2,0,0,0,0|1,0,0]=3 14142 B13R0.150 COCCCCCNC[C@H](O)C(=O)O 6d584e02ac8cfc54561d0bee8df04fa0 [0,2,0,0,0,0|1,0,0]=3 14143 B13R0.150 COCCCCCOCC(C)C(=O)C 6d02eb2d0e62632893b056f5d6c1704e [0,2,0,0,0,0|2,0,0]=4 14144 B13R0.150 COCCCCCOCC(C)C(=O)O ff7da287faf858ca64bc4ec425c1e69c [0,2,0,0,0,0|1,0,0]=3 14145 B13R0.150 COCCCCCOC[C@@H](C)C(=O)O 138624d1b36fc9905cc0f824457c827d [0,2,0,0,0,0|1,0,0]=3 14146 B13R0.150 COCCCCCOC[C@H](C)C(=O)O c9f9535806f195f6449f37e12ada799e [0,2,0,0,0,0|1,0,0]=3 14147 B13R0.150 COCCCCNCCC(F)C(=O)O a79d99e754b0a00d3883c566cf05d452 [0,2,0,0,0,0|1,0,0]=3 14148 B13R0.150 COCCCCNCCC(O)C(=O)O 85d4aa9d38c9bc53d374329cf6b00dad [0,2,0,0,0,0|1,0,0]=3 14149 B13R0.150 COCCCCNCC[C@H](O)C(=O)O c5a6e408fc2af1555da12f0fd335004c [0,2,0,0,0,0|1,0,0]=3 14150 B13R0.150 COCCCCOCCC(C)C(=O)C 370ae9125af28db893b5aea7c245dc99 [0,2,0,0,0,0|2,0,0]=4 14151 B13R0.150 COCCCNCCCC(C)C(=O)O 56e2c8ca5b7b405721bba67889b1e02f [0,2,0,0,0,0|1,0,0]=3 14152 B13R0.150 COCCCOCCCC(C)C(=O)O 8028ebbe4f4bce82d7cb431a2a1b5d53 [0,2,0,0,0,0|1,0,0]=3 14153 B13R0.150 COCCNCCSCC(C)C(=O)O 4594f9848a0f92f70a1c5ff03c88d0aa [0,2,0,0,0,0|2,0,0]=4 14154 B13R0.150 COCCOCCCNC(C)C(=O)O eddddfd9ee33071f639f3812b07205f6 [0,2,0,0,0,0|2,0,0]=4 14155 B13R0.150 COCCOCCCNC(F)C(=O)O 4735be52b146fb9048d296af70052e5e [0,2,0,0,0,0|2,0,0]=4 14156 B13R0.150 COCCOCCCNC(O)C(=O)O b4879d0fac35ddaf8bb144800b1f570c [0,2,0,0,0,0|2,0,0]=4 14157 B13R0.150 COCCOCCCN[C@@H](C)C(=O)O dce89cb418ea5e497db02a442c9aed8c [0,2,0,0,0,0|2,0,0]=4 14158 B13R0.150 COCCOCCCN[C@@H](F)C(=O)O 7bcbcea7afc99e1f291d30bcfff9fb69 [0,2,0,0,0,0|2,0,0]=4 14159 B13R0.150 COCCOCCCN[C@H](C)C(=O)O ec32785c1ea57e89696edbbee490985b [0,2,0,0,0,0|2,0,0]=4 14160 B13R0.150 COCCOCCCOC(C)C(=O)O 0949a451780977a532c1c842c3b86732 [0,2,0,0,0,0|2,0,0]=4 14161 B13R0.150 COCCOCCCOC(F)C(=O)O e500b76bda5ebe419f1a2af07e088322 [0,2,0,0,0,0|2,0,0]=4 14162 B13R0.150 COCCOCCCO[C@@H](C)C(=O)O 5cf6b272f4c9d4279a9ce53abcb6db6e [0,2,0,0,0,0|2,0,0]=4 14163 B13R0.150 COCCOCCCO[C@@H](F)C(=O)O dc427ffde8b58f7391091003dec8cc66 [0,2,0,0,0,0|2,0,0]=4 14164 B13R0.150 COCCOCCCO[C@H](C)C(=O)O 2cfd558e5a5f8900de42337ec76d1666 [0,2,0,0,0,0|2,0,0]=4 14165 B13R0.150 COCCOCCNCC(C)C(=O)O a6165adefdb851b2ddfa7e4416be5dee [0,2,0,0,0,0|2,0,0]=4 14166 B13R0.150 COCCOCCNCC(F)C(=O)O 5515f27a300b5a54ccd916f82de25f61 [0,2,0,0,0,0|2,0,0]=4 14167 B13R0.150 COCCOCCNCC(O)C(=O)O b83fd0f4ec5b46637dd24f0500c6fb98 [0,2,0,0,0,0|2,0,0]=4 14168 B13R0.150 COCCOCCNC[C@@H](C)C(=O)O 8c8685da49b5b06f0d392f3900239d91 [0,2,0,0,0,0|2,0,0]=4 14169 B13R0.150 COCCOCCNC[C@@H](O)C(=O)O 1fa6049a0ad2596ec9f78108d0446716 [0,2,0,0,0,0|2,0,0]=4 14170 B13R0.150 COCCOCCNC[C@H](C)C(=O)O 1e1babfd89bf29522145a8f21ae6615b [0,2,0,0,0,0|2,0,0]=4 14171 B13R0.150 COCCOCCNC[C@H](O)C(=O)O df95caa41634e99290115568e2d02bb5 [0,2,0,0,0,0|2,0,0]=4 14172 B13R0.150 COCCOCCOCC(C)C(=O)O f824b892d2c688ecaed9cf1e5cef8a39 [0,2,0,0,0,0|2,0,0]=4 14173 B13R0.150 COCCOCCOC[C@@H](C)C(=O)O 40da168caac39fa7c5aea13e35657877 [0,2,0,0,0,0|2,0,0]=4 14174 B13R0.150 COCCOCCOC[C@H](C)C(=O)O fd504414252c25a9f8e91d031f782a9d [0,2,0,0,0,0|2,0,0]=4 14175 B13R0.150 COCCOCNCCC(F)C(=O)O 5ef9fd69211842bc669a5605a987e141 [0,2,0,0,0,0|2,0,0]=4 14176 B13R0.150 COCCOCNCCC(O)C(=O)O 5def233702c7529f6ab87e5d401c0223 [0,2,0,0,0,0|2,0,0]=4 14177 B13R0.150 COCCOCNCC[C@H](O)C(=O)O 7984e7f723c05cdc13cec5f18acade1a [0,2,0,0,0,0|2,0,0]=4 14178 B13R0.150 COCOCCNCCC(F)C(=O)O 969bae44283cfdfb0db0051b8cc0ad5a [0,2,0,0,0,0|2,0,0]=4 14179 B13R0.150 COCOCCNCCC(O)C(=O)O 007d138dabf04c761dbd0712e6ffbdf6 [0,2,0,0,0,0|2,0,0]=4 14180 B13R0.150 COCOCCNCC[C@H](O)C(=O)O e13691a6c79a0c439d7cfc73cb161713 [0,2,0,0,0,0|2,0,0]=4 14181 B13R0.150 CSCCCNCCCC(C)C(=O)O 9f4a4b17bf2d8daf106875e161d5b33d [0,2,0,0,0,0|1,0,0]=3 14182 B13R0.150 CSCCCOCCCC(C)C(=O)O d52b6580064a3e9c9146e8d36de4283d [0,2,0,0,0,0|1,0,0]=3 14183 B13R0.150 CSCCNCCSCC(C)C(=O)O cdaf8cecf5509c6cb64aba8aab70fe46 [0,2,0,0,0,0|2,0,0]=4 14184 B13R0.150 CSCCOCCCNC(C)C(=O)O db4525c8e4f04eb96b300095b03e84fe [0,2,0,0,0,0|2,0,0]=4 14185 B13R0.150 CSCCOCCCNC(F)C(=O)O e4699f37ff594a7e157795fdcd175f79 [0,2,0,0,0,0|2,0,0]=4 14186 B13R0.150 CSCCOCCCN[C@@H](C)C(=O)O 561e7374848ac4c8c780c472cabc464e [0,2,0,0,0,0|2,0,0]=4 14187 B13R0.150 CSCCOCCCN[C@@H](F)C(=O)O 9ce8679b0c9f6513e30170c1930e14d8 [0,2,0,0,0,0|2,0,0]=4 14188 B13R0.150 CSCCOCCCN[C@H](C)C(=O)O 259a9ea728b13c4a5dfe9b4e6f590c2d [0,2,0,0,0,0|2,0,0]=4 14189 B13R0.150 C[C@@H](CNCCCCCC#N)C(=O)O 80b2191e7532226d64a36f129edc712f [0,2,0,0,0,0|1,0,1]=4 14190 B13R0.150 C[C@@H](CNCCCCCC=O)C(=O)O 588e2214a3e40b07df9717693dec35b8 [0,2,0,0,0,0|1,0,1]=4 14191 B13R0.150 C[C@@H](CNCCCCCCF)C(=O)O 36da831bbd1db4e23392551891fff8c9 [0,2,0,0,0,0|1,0,0]=3 14192 B13R0.150 C[C@@H](CNCCCCCCO)C(=O)O 637eedfaac436abf77f1f20c0f77a2cd [0,2,0,0,0,0|1,0,0]=3 14193 B13R0.150 C[C@@H](COCCCCCC#N)C(=O)O 2689a49e3e5b31eb89f865223d414da6 [0,2,0,0,0,0|1,0,1]=4 14194 B13R0.150 C[C@@H](COCCCCCC=O)C(=O)O d52fb5b212f2b400c8e8cc32fabf392a [0,2,0,0,0,0|1,0,1]=4 14195 B13R0.150 C[C@@H](COCCCCCCF)C(=O)O 513ef0df6e83616857d309adef72e8d7 [0,2,0,0,0,0|1,0,0]=3 14196 B13R0.150 C[C@@H](NCCCCCCC#N)C(=O)O f745282f67e5bf04fd16f65ce678f1ef [0,2,0,0,0,0|1,0,1]=4 14197 B13R0.150 C[C@@H](NCCCCCCC=O)C(=O)O e5a5e21d400e3cc06f586076410f1cbb [0,2,0,0,0,0|1,0,1]=4 14198 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)N 6f488861967886ab4afced5df71385ee [0,2,0,0,0,0|2,0,0]=4 14199 B13R0.150 C[C@@H](NCCCCCCCO)C(=O)O e5e6892210e6f2d6c78d604a2bf09c7e [0,2,0,0,0,0|1,0,0]=3 14200 B13R0.150 C[C@@H](NCCCCSCCO)C(=O)O 13b9de47dc0f77ca1f097e14b4a900df [0,2,0,0,0,0|2,0,0]=4 14201 B13R0.150 C[C@@H](NCCCOCCCO)C(=O)O 2dab471025a6f482316e1022bb12c03a [0,2,0,0,0,0|2,0,0]=4 14202 B13R0.150 C[C@@H](O)C(=O)NCCCCCCCO 0ac15fad8b7f7c5793b4d0f31167519d [0,2,0,0,0,0|2,0,0]=4 14203 B13R0.150 C[C@@H](OCCCCCCC#N)C(=O)O b295f4ea7c5968ebaa9830739d7aea2f [0,2,0,0,0,0|1,0,1]=4 14204 B13R0.150 C[C@@H](OCCCCCCC=O)C(=O)O bd4ede4984c8e3d33a07569cb0c51b6f [0,2,0,0,0,0|1,0,1]=4 14205 B13R0.150 C[C@H](CNCCCCCC#N)C(=O)O 096b794431d9775a924484cb59e63bd6 [0,2,0,0,0,0|1,0,1]=4 14206 B13R0.150 C[C@H](CNCCCCCC=O)C(=O)O a4109c72fbf8620fb645efd07fdc6000 [0,2,0,0,0,0|1,0,1]=4 14207 B13R0.150 C[C@H](CNCCCCCCF)C(=O)O 64b16c48a4acd5c826da7982b00f0127 [0,2,0,0,0,0|1,0,0]=3 14208 B13R0.150 C[C@H](CNCCCCCCO)C(=O)O f48163bca3f92743e9eeb0dc119dc8d1 [0,2,0,0,0,0|1,0,0]=3 14209 B13R0.150 C[C@H](COCCCCCC#N)C(=O)O 1bd4e38fed53e3cc0a697ba4cd376781 [0,2,0,0,0,0|1,0,1]=4 14210 B13R0.150 C[C@H](COCCCCCC=O)C(=O)O eb0405ebbec1e58389d90dece3ef8df9 [0,2,0,0,0,0|1,0,1]=4 14211 B13R0.150 C[C@H](COCCCCCCF)C(=O)O 566bfeb5f5f192229b86d2550a8e5295 [0,2,0,0,0,0|1,0,0]=3 14212 B13R0.150 C[C@H](NCCCCCCC#N)C(=O)O a570f004e35df36e48a294009171bfa8 [0,2,0,0,0,0|1,0,1]=4 14213 B13R0.150 C[C@H](NCCCCCCC=O)C(=O)O 64704fc485d783d3af610fd58d82a759 [0,2,0,0,0,0|1,0,1]=4 14214 B13R0.150 C[C@H](NCCCCCCCO)C(=O)N 269ff2309b6f138afc1c378bd8197f44 [0,2,0,0,0,0|2,0,0]=4 14215 B13R0.150 C[C@H](NCCCCCCCO)C(=O)O ec72f1fe9561b477e8ca8bfa4feab27b [0,2,0,0,0,0|1,0,0]=3 14216 B13R0.150 C[C@H](NCCCCSCCO)C(=O)O 75e7874949f3abd20f4edf329ce350f4 [0,2,0,0,0,0|2,0,0]=4 14217 B13R0.150 C[C@H](NCCCOCCCO)C(=O)O f9ce4fa4422ffaa3a1e59e213ebfcef8 [0,2,0,0,0,0|2,0,0]=4 14218 B13R0.150 C[C@H](O)C(=O)NCCCCCCCO 6eb3af4c83d74ac3345456e43244b979 [0,2,0,0,0,0|2,0,0]=4 14219 B13R0.150 C[C@H](OCCCCCCC#N)C(=O)O 4bccc67e334ea53d2043c7e578ea2315 [0,2,0,0,0,0|1,0,1]=4 14220 B13R0.150 C[C@H](OCCCCCCC=O)C(=O)O 54a3f00f52e4a444cbc7d065fef21794 [0,2,0,0,0,0|1,0,1]=4 14221 B13R0.150 N#CCCCCCCNC(O)C(=O)O fd901654c9fe4b1823ee8d949cf9e14c [0,2,0,0,0,0|1,0,1]=4 14222 B13R0.150 N#CCCCCCNCC(F)C(=O)O 7ca6da7eb0c65f80610194e9e4570a56 [0,2,0,0,0,0|1,0,1]=4 14223 B13R0.150 N#CCCCCCNCC(O)C(=O)O 30b40fcab0d5b8b37620a8d92009ba2d [0,2,0,0,0,0|1,0,1]=4 14224 B13R0.150 N#CCCCCCNC[C@@H](O)C(=O)O de9a228c18de5273a0d686a47b659497 [0,2,0,0,0,0|1,0,1]=4 14225 B13R0.150 N#CCCCCCNC[C@H](O)C(=O)O b7a92888e0c2c9aefdef774066a10cfd [0,2,0,0,0,0|1,0,1]=4 14226 B13R0.150 N#CCCCCNCCC(F)C(=O)O d42dc1bdad78a63d5d60238a76c9e082 [0,2,0,0,0,0|1,0,1]=4 14227 B13R0.150 N#CCCCCNCCC(O)C(=O)O 3e15f7f44506fc62276236da48c00be2 [0,2,0,0,0,0|1,0,1]=4 14228 B13R0.150 N#CCCCCNCC[C@H](O)C(=O)O 8cc062b4bfc2d8c15738695999fab3d3 [0,2,0,0,0,0|1,0,1]=4 14229 B13R0.150 NC(=O)C(F)NCCCCCCCO 458f8f0bdc43d3821e704b391513da39 [0,2,0,0,0,0|2,0,0]=4 14230 B13R0.150 NOCCCCNCCC(F)C(=O)O 2d2e2c3d5aa9359255c51bb30c070f9b [0,2,0,0,0,0|2,0,0]=4 14231 B13R0.150 NOCCCCNCCC(O)C(=O)O ae650f2fca509c4e88bbb9de1ef3cdc4 [0,2,0,0,0,0|2,0,0]=4 14232 B13R0.150 NOCCCCNCC[C@H](O)C(=O)O 27540bf0345cd1855425a3bdaf183439 [0,2,0,0,0,0|2,0,0]=4 14233 B13R0.150 O=C(NCCCCCCCO)C(O)O 5b77b7bb6c94d2bb881f3d9ebef9a2ee [0,2,0,0,0,0|2,0,0]=4 14234 B13R0.150 O=C(O)C(=O)CNCCCCCCCl 66667e5ec0ff6baf06b2b1f833c33a76 [0,2,0,0,0,0|1,0,1]=4 14235 B13R0.150 O=C(O)C(=O)CNCCCCCCO a44d51aa7c397894ccfea55d4040f1da [0,2,0,0,0,0|1,0,1]=4 14236 B13R0.150 O=C(O)C(=O)COCCCCCCF 2f94eaa1b4c7df54f91d34c289a1ecd5 [0,2,0,0,0,0|1,0,1]=4 14237 B13R0.150 O=C(O)C(=O)COCCCCCCS 39e4ad42725826372ff21038bfa241ee [0,2,0,0,0,0|1,0,1]=4 14238 B13R0.150 O=C(O)C(F)CCNCCCCCF 44d23bf3d121c12623a57101f0fa85b7 [0,2,0,0,0,0|1,0,0]=3 14239 B13R0.150 O=C(O)C(F)CCNCCCCCO 9bec78cea311ce88935eaa739e0ab975 [0,2,0,0,0,0|1,0,0]=3 14240 B13R0.150 O=C(O)C(F)CCNCCOCCO a211efa62dabf497ff34244a7cb063c2 [0,2,0,0,0,0|2,0,0]=4 14241 B13R0.150 O=C(O)C(F)CNCCCCCCF 46aa71c74d9947f8a8acd513b0333a61 [0,2,0,0,0,0|1,0,0]=3 14242 B13R0.150 O=C(O)C(F)CNCCCCCCO 75654451cd15fbd03e3fbea7d977c933 [0,2,0,0,0,0|1,0,0]=3 14243 B13R0.150 O=C(O)C(F)NCCCOCCCO 8fd0cb06e822e5963f779ede036c396d [0,2,0,0,0,0|2,0,0]=4 14244 B13R0.150 O=C(O)C(O)CCNCCCCCF 391fa154f1148b4a72af5579a6dba0b5 [0,2,0,0,0,0|1,0,0]=3 14245 B13R0.150 O=C(O)C(O)CCNCCCCCO 82924d6dcf45fe95cbca87213a26b4da [0,2,0,0,0,0|1,0,0]=3 14246 B13R0.150 O=C(O)C(O)CCNCCOCCO e8fb0c2994e23dac27ec25906b9b486a [0,2,0,0,0,0|2,0,0]=4 14247 B13R0.150 O=C(O)C(O)CNCCCCCCCl 7e79b42c0813c109b1e67fc5e12d787d [0,2,0,0,0,0|1,0,0]=3 14248 B13R0.150 O=C(O)C(O)CNCCCCCCF e5fb8cfaba5e34471ccc2093dce30207 [0,2,0,0,0,0|1,0,0]=3 14249 B13R0.150 O=C(O)C(O)CNCCCCCCO f6e682046231b7b3b54e144e178098a1 [0,2,0,0,0,0|1,0,0]=3 14250 B13R0.150 O=C(O)C(O)NCCCCCCCO 059448168f0bb2be87af121062cabe90 [0,2,0,0,0,0|1,0,0]=3 14251 B13R0.150 O=C(O)C(O)NCCCOCCCO d0b9a7daccaad7890b2946fa48511852 [0,2,0,0,0,0|2,0,0]=4 14252 B13R0.150 O=C(O)[C@@H](O)CCNCCCCCF 4b6f83da45a8d8be8a432180acf1fb72 [0,2,0,0,0,0|1,0,0]=3 14253 B13R0.150 O=C(O)[C@@H](O)CCNCCCCCO 61b5e0181759f55340c287ca1c3d0cb7 [0,2,0,0,0,0|1,0,0]=3 14254 B13R0.150 O=C(O)[C@@H](O)CCNCCOCCO 30607896c128df13631fb61ae39cade4 [0,2,0,0,0,0|2,0,0]=4 14255 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCCl 79538a61512e48385c90f5ec492745f4 [0,2,0,0,0,0|1,0,0]=3 14256 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCF 19338b389a65cfd56966071473278cd9 [0,2,0,0,0,0|1,0,0]=3 14257 B13R0.150 O=C(O)[C@@H](O)CNCCCCCCO e9e10cf152b9d5f88ff11bf74ccbdb86 [0,2,0,0,0,0|1,0,0]=3 14258 B13R0.150 O=C(O)[C@H](O)CNCCCCCCF 4fb48a3294d18ff9ca12fb244cc7a1f2 [0,2,0,0,0,0|1,0,0]=3 14259 B13R0.150 O=C(O)[C@H](O)CNCCCCCCO 9e53e91f0ddfe691244c79903d575db8 [0,2,0,0,0,0|1,0,0]=3 14260 B13R0.150 O=CCCCCCCNC(O)C(=O)O c58cd359fa1d39b18e35e2edd581dbd8 [0,2,0,0,0,0|1,0,1]=4 14261 B13R0.150 O=CCCCCCNCC(F)C(=O)O 00f37d6d027dc6ac9677413b1e4eacad [0,2,0,0,0,0|1,0,1]=4 14262 B13R0.150 O=CCCCCCNCC(O)C(=O)O 2ad54b11632b9a5671f9b0dc3803f332 [0,2,0,0,0,0|1,0,1]=4 14263 B13R0.150 O=CCCCCCNC[C@@H](O)C(=O)O 29ad7d075c2c63e66fff707cf2f9e09b [0,2,0,0,0,0|1,0,1]=4 14264 B13R0.150 O=CCCCCCNC[C@H](O)C(=O)O e9d91fec4e4487dd14234c5815fa2914 [0,2,0,0,0,0|1,0,1]=4 14265 B13R0.150 O=CCCCCNCCC(F)C(=O)O 47e0e8b1ca96a391f8f2c0c7a14ef39c [0,2,0,0,0,0|1,0,1]=4 14266 B13R0.150 O=CCCCCNCCC(O)C(=O)O 0b76fe949d80fa4a1cb7bc9f5f5b1f7c [0,2,0,0,0,0|1,0,1]=4 14267 B13R0.150 O=CCCCCNCC[C@H](O)C(=O)O 224b3c8bc429a163dc71c32ccf21a512 [0,2,0,0,0,0|1,0,1]=4 14268 B13R0.154 C#CCCCCCN(C)CCC(=O)O 867122d352967c53b11a4c79b197969a [0,2,0,0,0,0|0,0,2]=4 14269 B13R0.154 C#CCCCCNC(C)CCC(=O)O 0e59de53c5680019b792b6aae694cd3c [0,2,0,0,0,0|0,0,2]=4 14270 B13R0.154 C#CCCCCN[C@@H](C)CCC(=O)O fc3722eaadd0c931200c1219a9e62508 [0,2,0,0,0,0|0,0,2]=4 14271 B13R0.154 C#CCCCCOC(C)CCC(=O)O 15b149d760a55e06a36f2cf20adaaf61 [0,2,0,0,0,0|0,0,2]=4 14272 B13R0.154 C/C=C/CCCOC(C)CCC(=O)O 40953d6a0bbb1e0e4aa955bc325e2bb3 [0,2,0,0,0,0|0,0,2]=4 14273 B13R0.154 C/C=C\CCCNC(C)CCC(=O)O f8f662394c37ed90430d846a53c0232d [0,2,0,0,0,0|0,0,2]=4 14274 B13R0.154 C/C=C\CCCN[C@@H](C)CCC(=O)O 159faddce95fb9f5c7f3084bb2e0cc3e [0,2,0,0,0,0|0,0,2]=4 14275 B13R0.154 C/C=C\CCCOC(C)CCC(=O)O c51e19b8c7af52566087ecd839d3970b [0,2,0,0,0,0|0,0,2]=4 14276 B13R0.154 C=C(Br)CN[C@@H](C)CCCCCCC 8be3fd3386db02673e25fe698276df32 [0,2,0,0,0,0|2,0,0]=4 14277 B13R0.154 C=C(Br)COC(C)CCCCCCC 27c59d3b5b7cc776a274ab350c9fd323 [0,2,0,0,0,0|2,0,0]=4 14278 B13R0.154 C=C(C)CCN(C)CCCCCCC 9af44fb5eee082952e59c85fa9dccdaa [0,2,0,0,0,0|2,0,0]=4 14279 B13R0.154 C=C(C)CN[C@@H](C)CCCCCCC ce545fbd54f31cc8fd8c842eea477644 [0,2,0,0,0,0|2,0,0]=4 14280 B13R0.154 C=C(C)COC(C)CCCCCCC 9052ab673f6f75bb8d98c1e1e2e0f6ba [0,2,0,0,0,0|2,0,0]=4 14281 B13R0.154 C=C(Cl)CN[C@@H](C)CCCCCCC 32ba8ae25949c736fdb1aa86d8dcfd9c [0,2,0,0,0,0|2,0,0]=4 14282 B13R0.154 C=C(Cl)COC(C)CCCCCCC c35a003af0f5e10c5e95d665ee908754 [0,2,0,0,0,0|2,0,0]=4 14283 B13R0.154 C=CCCCCCN(C)CCC(=O)O efc2861bd12818b1bbe39d8a90c8f035 [0,2,0,0,0,0|0,0,2]=4 14284 B13R0.154 C=CCCCCNC(C)CCC(=O)O 9b0bd637495ecdd58dddb4d2ff064348 [0,2,0,0,0,0|0,0,2]=4 14285 B13R0.154 C=CCCCCN[C@@H](C)CCC(=O)O 742a6678f6f4eab5a10189f6c8b4dd18 [0,2,0,0,0,0|0,0,2]=4 14286 B13R0.154 C=CCCCCOC(C)CCC(=O)O 52c28aaca414d2f9a63a4e25a018fb66 [0,2,0,0,0,0|0,0,2]=4 14287 B13R0.154 CC#CCCCOC(C)CCC(=O)O 8542e3e11b6ae2b3241799bda16107a6 [0,2,0,0,0,0|0,0,2]=4 14288 B13R0.154 CC(=O)CCN(C)CCCCCCO f7614d2c532d527538e203f9609501fc [0,2,0,0,0,0|2,0,0]=4 14289 B13R0.154 CC(CCC(=O)O)NCCCCC#N fedf8fc0474db1e1f07acb992ec4b85f [0,2,0,0,0,0|1,0,1]=4 14290 B13R0.154 CC(CCC(=O)O)NCCCCC=O 39133b4cac0a5e9556b251318c73d467 [0,2,0,0,0,0|1,0,1]=4 14291 B13R0.154 CC(CCC(=O)O)NCCCCCCl 8416aca4cc6b3c64dad81f3b7de5dc36 [0,2,0,0,0,0|1,0,0]=3 14292 B13R0.154 CC(CCC(=O)O)NCCCCCF ead7ce5796684f5a7eb8215cc5a83177 [0,2,0,0,0,0|1,0,0]=3 14293 B13R0.154 CC(CCC(=O)O)NCCCCCO 1b350863f8b4a2f037bdc40c2a003cd5 [0,2,0,0,0,0|1,0,0]=3 14294 B13R0.154 CC(CCC(=O)O)NCCCCON 36076a2d0b7e8018a71e6c5764611543 [0,2,0,0,0,0|2,0,0]=4 14295 B13R0.154 CC(CCC(=O)O)NCCOCCO 1741fa1fd80431c52842f04827b70f6e [0,2,0,0,0,0|2,0,0]=4 14296 B13R0.154 CC(CCC(=O)O)NCCOCCS e9c23b4461553f41b56e248fa655e5b0 [0,2,0,0,0,0|2,0,0]=4 14297 B13R0.154 CC(CCC(=O)O)NCCSCCO 79985a81c98cfea0970d25b83c95b443 [0,2,0,0,0,0|2,0,0]=4 14298 B13R0.154 CC(CCC(=O)O)OCCCCC#N 5fed74a8ef972df6c98c91811138cd53 [0,2,0,0,0,0|1,0,1]=4 14299 B13R0.154 CC(CCC(=O)O)OCCCCC=O fd5e54aade34b298013cc2709429fabe [0,2,0,0,0,0|1,0,1]=4 14300 B13R0.154 CC(CCC(=O)O)OCCCCCF ef147efefae5021a9d1eeb88a116f964 [0,2,0,0,0,0|1,0,0]=3 14301 B13R0.154 CC(CCC(=O)O)OCCOCCF 75db04f96f6fee7b326919a17a127b1d [0,2,0,0,0,0|2,0,0]=4 14302 B13R0.154 CC(CCC(=O)O)OCCOCCS 802e5555cabe8ca31502b34c8a1fb787 [0,2,0,0,0,0|2,0,0]=4 14303 B13R0.154 CC/C=C\CCNC(C)CCC(=O)O 526159a02e6ac69711343e830cc0f279 [0,2,0,0,0,0|0,0,2]=4 14304 B13R0.154 CC/C=C\CCN[C@@H](C)CCC(=O)O e4c6c4cdaa775868fd7ab6e65bab3684 [0,2,0,0,0,0|0,0,2]=4 14305 B13R0.154 CC/C=C\CCOC(C)CCC(=O)O 6720cc64a00bd50c6576b253d6f79618 [0,2,0,0,0,0|0,0,2]=4 14306 B13R0.154 CC=CCCCOC(C)CCC(=O)O f17bd2b802bc9c9e91e604ee2c713200 [0,2,0,0,0,0|0,0,2]=4 14307 B13R0.154 CCC/C=C/CNC(C)CCC(=O)O d73dd8df1a3cd9549480bdc9d6b0aed3 [0,2,0,0,0,0|0,0,2]=4 14308 B13R0.154 CCC/C=C/CN[C@@H](C)CCC(=O)O bc8c200199256a0d83f4a01d428e4165 [0,2,0,0,0,0|0,0,2]=4 14309 B13R0.154 CCC/C=C/COC(C)CCC(=O)O 7f9ce3f21be057d560d5de041350ea39 [0,2,0,0,0,0|0,0,2]=4 14310 B13R0.154 CCC/C=C\CNC(C)CCC(=O)O c6570ecd51dc916f6293e962b0490fc7 [0,2,0,0,0,0|0,0,2]=4 14311 B13R0.154 CCC/C=C\CN[C@@H](C)CCC(=O)O 89260ac53b2cd939c693926837c92f88 [0,2,0,0,0,0|0,0,2]=4 14312 B13R0.154 CCC/C=C\COC(C)CCC(=O)O 9646a5ff49e34495e904b37f7e6d9823 [0,2,0,0,0,0|0,0,2]=4 14313 B13R0.154 CCCC/C=C/CN(C)CCC(=O)O 0be7255037eaaffad85eb1cfaae7ad04 [0,2,0,0,0,0|0,0,2]=4 14314 B13R0.154 CCCC/C=C\CN(C)CCC(=O)O d454e7b947f7b697832a60b23bc0172b [0,2,0,0,0,0|0,0,2]=4 14315 B13R0.154 CCCCCCCC(=O)NCC(=O)C e58b2437054550a8af6e78455f3cf9ee [0,2,0,0,0,0|1,0,1]=4 14316 B13R0.154 CCCCCCCC(=O)NCC(=O)N cc9ed170351040344cc9afa38febbd0c [0,2,0,0,0,0|1,0,1]=4 14317 B13R0.154 CCCCCCCC(C)OCC(=O)N 246632161d2b64dae12b85090088fb19 [0,2,0,0,0,0|1,0,0]=3 14318 B13R0.154 CCCCCCCC(C)OCC(=O)O 1ae5d9b72f4d57d4439a54b928da9274 [0,2,0,0,0,0|0,0,0]=2 14319 B13R0.154 CCCCCCCC(C)OC[N+](=O)[O-] 98cf2f868492bdf4e2af39eb2c320cd8 [0,2,0,0,0,0|1,0,1]=4 14320 B13R0.154 CCCCCCCN(C)CCC(=O)C 0cb8f34ff1125519044a034383fe5343 [0,2,0,0,0,0|1,0,0]=3 14321 B13R0.154 CCCCCCCN(C)CCC(=O)N 97506b3db8f8227e1f5d87a670f334ca [0,2,0,0,0,0|1,0,0]=3 14322 B13R0.154 CCCCCCCN(C)CCC(=O)O 0729fda7a278c705196a35fd75ccfa11 [0,2,0,0,0,0|0,0,0]=2 14323 B13R0.154 CCCCCCCN(C)CCC(C)O 6c466d2fe15c8d348a363f80f4bd1087 [0,2,0,0,0,0|1,0,1]=4 14324 B13R0.154 CCCCCCCN(C)CCS(=O)C a408a8e96a96724bd0b5ca00904bf3fd [0,2,0,0,0,0|2,0,0]=4 14325 B13R0.154 CCCCCCCN(C)COC(=O)C d3d4f56989ee00d09d38b6118b2dcbe3 [0,2,0,0,0,0|2,0,0]=4 14326 B13R0.154 CCCCCCCN(C)CSC(=O)N 0261af66f84a273c66b6842f5beb5c19 [0,2,0,0,0,0|2,0,0]=4 14327 B13R0.154 CCCCCCC[C@H](C)NCC(=O)N 1a497ee7db3013525cd0bdf12d078bb4 [0,2,0,0,0,0|1,0,0]=3 14328 B13R0.154 CCCCCCC[C@H](C)NCC(=O)O 9e1e45c318b05b14bec31e33d52f4e68 [0,2,0,0,0,0|0,0,0]=2 14329 B13R0.154 CCCCCCC[C@H](C)NCC(C)O 00616b1dc9653066bcef139dcc0d6418 [0,2,0,0,0,0|1,0,1]=4 14330 B13R0.154 CCCCCCC[C@H](C)NC[C@@H](C)O bbfbef1ee9403742d79e7578fcb49e74 [0,2,0,0,0,0|1,0,1]=4 14331 B13R0.154 CCCCCCC[C@H](C)NC[C@H](C)O 01e536d648ccae417b04762758da853a [0,2,0,0,0,0|1,0,1]=4 14332 B13R0.154 CCCCCCC[C@H](C)NC[N+](=O)[O-] 021cc07fd830f0fc8b66520f881644f9 [0,2,0,0,0,0|1,0,1]=4 14333 B13R0.154 CCCCCCNC(=O)CCC(=O)C 440be52a6dab11c6abe78a13c927a55e [0,2,0,0,0,0|1,0,1]=4 14334 B13R0.154 CCCCCCNC(=O)CCC(=O)N 2960dd375f66237ffd3a19dcc728703b [0,2,0,0,0,0|1,0,1]=4 14335 B13R0.154 CCCCCCNC(=O)NCC(=O)O 35cbd9c802d1428225266ea3db081a1c [0,2,0,0,0,0|1,0,1]=4 14336 B13R0.154 CCCCCCNC(=S)NCC(=O)O e8d0367c9e13180657e7f80939943034 [0,2,0,0,0,0|1,0,1]=4 14337 B13R0.154 CCCCCCNC(C)CCC(=O)O 0fe521212c707af72f224b8db3351481 [0,2,0,0,0,0|0,0,0]=2 14338 B13R0.154 CCCCCCN[C@@H](C)CCC(=O)O eaa55d56af0939019681b6e70deb2865 [0,2,0,0,0,0|0,0,0]=2 14339 B13R0.154 CCCCCCOC(C)CCC(=O)O 432a920140873079061a0a02d1212975 [0,2,0,0,0,0|0,0,0]=2 14340 B13R0.154 CCCCCCOC(C)CNC(=O)C d989bd20c4de0d376583f0092bbb6f31 [0,2,0,0,0,0|2,0,0]=4 14341 B13R0.154 CCCCCCOC(C)COC(=O)C 4698c729fa4bc3abbdd72c2a0c604d3c [0,2,0,0,0,0|2,0,0]=4 14342 B13R0.154 CCCCCNCC(=O)CCC(=O)O 31e32612b0f955e18b2618db399b9d37 [0,2,0,0,0,0|0,0,1]=3 14343 B13R0.154 CCCCCNCC(=O)NCC(=O)O a64cbacc9a8d1e8ef2017127ede8641f [0,2,0,0,0,0|1,0,1]=4 14344 B13R0.154 CCCCCNCC(C)COC(=O)C 081bb6647e3bea34de4633f51766f677 [0,2,0,0,0,0|2,0,0]=4 14345 B13R0.154 CCCCCNCC(O)COC(=O)C 79d7727ca716f4b996ffb8283ea8a602 [0,2,0,0,0,0|2,0,0]=4 14346 B13R0.154 CCCCCOCC(=O)CCC(=O)O c1d2a067f132343d515894c516fb30ff [0,2,0,0,0,0|0,0,1]=3 14347 B13R0.154 CCCCCOCC(=O)NCC(=O)O 48b5eaff7c5bf1ae9e4eeeb60b9e5a94 [0,2,0,0,0,0|1,0,1]=4 14348 B13R0.154 CCCCCOCC(C)COC(=O)C e2a387eaa2b0c881b1ab5fe9aaa49c50 [0,2,0,0,0,0|2,0,0]=4 14349 B13R0.154 CCCCCOC[C@@H](C)COC(=O)C 6ded4a715a438adc775730d059e328ae [0,2,0,0,0,0|2,0,0]=4 14350 B13R0.154 CCCCNCCN(C)CCC(=O)O 3474b92e261751a23cfc4a927ae2513f [0,2,0,0,0,0|1,0,0]=3 14351 B13R0.154 CCCCOCCN(C)CCC(=O)N a0e123d82594a4b1a89192403c3d2ec6 [0,2,0,0,0,0|2,0,0]=4 14352 B13R0.154 CCCCOCCN(C)CCC(=O)O f33771b45c7334fcbb34f2639235eac5 [0,2,0,0,0,0|1,0,0]=3 14353 B13R0.154 CCCCOCNC(C)CCC(=O)O fc549d0e70b2d8b41ef4608a65fe9f84 [0,2,0,0,0,0|1,0,0]=3 14354 B13R0.154 CCCCOCN[C@@H](C)CCC(=O)O 9ed8df1fd88eddb1393928b8f522cab7 [0,2,0,0,0,0|1,0,0]=3 14355 B13R0.154 CCCCOCOC(C)CCC(=O)O 2ee67c2bf151cceb15adec7efe99f25e [0,2,0,0,0,0|1,0,0]=3 14356 B13R0.154 CCCOCCCN(C)CCC(=O)N e07aa51f59586e6894633bb49c2e679e [0,2,0,0,0,0|2,0,0]=4 14357 B13R0.154 CCCOCCCN(C)CCC(=O)O d20815e9ed2562c46879f5a9d28bd04d [0,2,0,0,0,0|1,0,0]=3 14358 B13R0.154 CCCOCCNC(=O)CCC(=O)O f0cdeb69c8b47f46390bd3df89486542 [0,2,0,0,0,0|1,0,1]=4 14359 B13R0.154 CCCOCCNC(C)CCC(=O)O ed5d9177b5698cbc6f6dcee90a4c66ba [0,2,0,0,0,0|1,0,0]=3 14360 B13R0.154 CCCOCCN[C@@H](C)CCC(=O)O 32e632a16ce01ba06b1f26aced804a27 [0,2,0,0,0,0|1,0,0]=3 14361 B13R0.154 CCCOCCOC(C)CCC(=O)O ea093ccc32e05f9bb60adc6b7db8a1ca [0,2,0,0,0,0|1,0,0]=3 14362 B13R0.154 CCOCCCNC(C)CCC(=O)O f618b2fc25fe52553ddee24c1f1e7706 [0,2,0,0,0,0|1,0,0]=3 14363 B13R0.154 CCOCCCN[C@@H](C)CCC(=O)O a26318a4bc7bc81a552dcfe8b484c25e [0,2,0,0,0,0|1,0,0]=3 14364 B13R0.154 CCOCCCOC(C)CCC(=O)O b58436b66b52d387c772db3809a39c22 [0,2,0,0,0,0|1,0,0]=3 14365 B13R0.154 CCOCCNCC(=O)CCC(=O)O 8e8b94ce5b48a6f08631730da7b8dcbc [0,2,0,0,0,0|1,0,1]=4 14366 B13R0.154 CCOCCOCC(=O)CCC(=O)O 2e5bc311fe7fa650c538f74f67f7558e [0,2,0,0,0,0|1,0,1]=4 14367 B13R0.154 CCOCNCCN(C)CCC(=O)O 2a536b73001b8e316f11db89e9f2d7f0 [0,2,0,0,0,0|2,0,0]=4 14368 B13R0.154 CCSCCCOC(C)CCC(=O)O 459b2d39048f21e07cfb9a4656cc143e [0,2,0,0,0,0|1,0,0]=3 14369 B13R0.154 CCSCCNCC(=O)CCC(=O)O da2be1f8421a4d661fa59111ba13bd32 [0,2,0,0,0,0|1,0,1]=4 14370 B13R0.154 CCSCCOCC(=O)CCC(=O)O a13db06e114b2d938c806ad9b4daa588 [0,2,0,0,0,0|1,0,1]=4 14371 B13R0.154 CN(CCCCCC#N)CCC(=O)O 9945addc7c3c76662e0e70cccd11c69d [0,2,0,0,0,0|1,0,1]=4 14372 B13R0.154 CN(CCCCCC=O)CCC(=O)O a09b882f4471d7aacfeebd0199398319 [0,2,0,0,0,0|1,0,1]=4 14373 B13R0.154 CN(CCCCCCF)CCC(=O)N ac4e3fc1764f88e49a1383d7be3c3993 [0,2,0,0,0,0|2,0,0]=4 14374 B13R0.154 CN(CCCCCCF)CCC(=O)O c255b4be6faedf7ae98366c9a78eae7d [0,2,0,0,0,0|1,0,0]=3 14375 B13R0.154 CN(CCCCCCO)CCC(=O)N 8c9f0dda59c60a448870920fafbd063d [0,2,0,0,0,0|2,0,0]=4 14376 B13R0.154 CN(CCCCCCO)CCC(=O)O 95a444f5f6f3a38b75f0c20103dd52d6 [0,2,0,0,0,0|1,0,0]=3 14377 B13R0.154 CN(CCNCCCF)CCC(=O)O d68d95ca51e9d2e8cf79f29d5a179323 [0,2,0,0,0,0|2,0,0]=4 14378 B13R0.154 CN(CCNCCCO)CCC(=O)O fd92cdd7b7fe203febc62fd12cefe9fa [0,2,0,0,0,0|2,0,0]=4 14379 B13R0.154 CN(CCNCCCS)CCC(=O)O cec8b2e094c288e623313e2e131e2294 [0,2,0,0,0,0|2,0,0]=4 14380 B13R0.154 CN(CCOCCCF)CCC(=O)O 861a4e73768e3dd7cba3befea937828b [0,2,0,0,0,0|2,0,0]=4 14381 B13R0.154 COCCCCCN(C)CCC(=O)N 7a8cf6cecec450bc6c4e2b62219e8260 [0,2,0,0,0,0|2,0,0]=4 14382 B13R0.154 COCCCCCN(C)CCC(=O)O 6787e552066234b6732b7ab882f6e2ac [0,2,0,0,0,0|1,0,0]=3 14383 B13R0.154 COCCCCNC(C)CCC(=O)O f6d37915268b6e3b4d8294052257702c [0,2,0,0,0,0|1,0,0]=3 14384 B13R0.154 COCCCCN[C@@H](C)CCC(=O)O 02c8e83368ef5513fb98f7fd64748f90 [0,2,0,0,0,0|1,0,0]=3 14385 B13R0.154 COCCCCOC(C)CCC(=O)O 44e7199da58183a79d5e57c4fd66aad4 [0,2,0,0,0,0|1,0,0]=3 14386 B13R0.154 COCCCNCC(=O)CCC(=O)O e6d1d9053632368aa7b09cd58bf25618 [0,2,0,0,0,0|1,0,1]=4 14387 B13R0.154 COCCCOCC(=O)CCC(=O)O edb35ea06a38c09fd2ca860f29b71678 [0,2,0,0,0,0|1,0,1]=4 14388 B13R0.154 COCCNCCN(C)CCC(=O)O 6b9b7a0f86566f3c749d21f943bfe7fa [0,2,0,0,0,0|2,0,0]=4 14389 B13R0.154 COCCOCCN(C)CCC(=O)O 6dcfcbc451c2999ac5f54a963e3d185b [0,2,0,0,0,0|2,0,0]=4 14390 B13R0.154 COCCOCNC(C)CCC(=O)O fc5c4289226eabfc12e14ce71ef3e214 [0,2,0,0,0,0|2,0,0]=4 14391 B13R0.154 COCCOCN[C@@H](C)CCC(=O)O c74ac7dde187c4cd56326f063ee69991 [0,2,0,0,0,0|2,0,0]=4 14392 B13R0.154 COCCOCOC(C)CCC(=O)O e95be7e878865e21f7f762cb7c26d730 [0,2,0,0,0,0|2,0,0]=4 14393 B13R0.154 COCOCCNC(C)CCC(=O)O 02ca72f81e71ce455ec3408a7b4e0dda [0,2,0,0,0,0|2,0,0]=4 14394 B13R0.154 COCOCCN[C@@H](C)CCC(=O)O 3ef1775a750f81a51387014c47fb8786 [0,2,0,0,0,0|2,0,0]=4 14395 B13R0.154 COCOCCOC(C)CCC(=O)O 881b0b0f91253c0a77a354f71376db27 [0,2,0,0,0,0|2,0,0]=4 14396 B13R0.154 CSCCCCNC(C)CCC(=O)O f080b8fe2e28b9d929258ef10dcccd8e [0,2,0,0,0,0|1,0,0]=3 14397 B13R0.154 CSCCCCOC(C)CCC(=O)O 89deeedea4dcea4fb70679e5252789b1 [0,2,0,0,0,0|1,0,0]=3 14398 B13R0.154 CSCCCNCC(=O)CCC(=O)O 5dc6d2913d6645d32518ff6be1e473d3 [0,2,0,0,0,0|1,0,1]=4 14399 B13R0.154 CSCCCOCC(=O)CCC(=O)O e4c0f383c7bff8b75ade1d6983913d6f [0,2,0,0,0,0|1,0,1]=4 14400 B13R0.154 CSCCNCCN(C)CCC(=O)O 902090c2d0ecd0ef240f23d525645a36 [0,2,0,0,0,0|2,0,0]=4 14401 B13R0.154 CSCCOCCN(C)CCC(=O)O ad3d63805a806ed08193a24fae6992aa [0,2,0,0,0,0|2,0,0]=4 14402 B13R0.154 C[C@@H](CCC(=O)O)NCCCCC#N e90c527d9e0b6408c90ae340767c4580 [0,2,0,0,0,0|1,0,1]=4 14403 B13R0.154 C[C@@H](CCC(=O)O)NCCCCC=O 0a5e72bd9229a16fe08e57aa92d921d9 [0,2,0,0,0,0|1,0,1]=4 14404 B13R0.154 C[C@@H](CCC(=O)O)NCCCCCF 3f402b31a379b0917d8b60cfb279de2a [0,2,0,0,0,0|1,0,0]=3 14405 B13R0.154 C[C@@H](CCC(=O)O)NCCCCCO 9d8bd1a06a59b9e7ff34028bad2159c2 [0,2,0,0,0,0|1,0,0]=3 14406 B13R0.154 C[C@@H](CCC(=O)O)NCCCCON e1343722782ad1c47a92a533b806030d [0,2,0,0,0,0|2,0,0]=4 14407 B13R0.154 C[C@@H](CCC(=O)O)NCCOCCO 64cdeb560eef1095a9b5529758a4cdc3 [0,2,0,0,0,0|2,0,0]=4 14408 B13R0.154 O=C(O)CCC(=O)CNCCCCCl c20f66cde4d2179bf4cd310889ae4f52 [0,2,0,0,0,0|1,0,1]=4 14409 B13R0.154 O=C(O)CCC(=O)CNCCCCF ae39c8edfd80df8f3b0125a8c541ccc8 [0,2,0,0,0,0|1,0,1]=4 14410 B13R0.154 O=C(O)CCC(=O)CNCCCCO e363af3bc2c1868cbf4a57504cbaebeb [0,2,0,0,0,0|1,0,1]=4 14411 B13R0.154 O=C(O)CCC(=O)CNCCCCS 4f279cff84b09ca57d4455aaa9878439 [0,2,0,0,0,0|1,0,1]=4 14412 B13R0.154 O=C(O)CCC(=O)COCCCCF c4cdc00161db10fe932c6485eb897790 [0,2,0,0,0,0|1,0,1]=4 14413 B13R0.154 O=C(O)CCC(=O)COCCCCS aba73f87045a6e5a09e50eab605d6737 [0,2,0,0,0,0|1,0,1]=4 14414 B13R0.179 C/C(=C/CNCCCCCC(=O)O)/I f2b23d29f89d8100603dbc87cb2114f3 [0,2,0,0,0,0|0,0,2]=4 14415 B13R0.179 C/C(=C/COCCCCCC(=O)O)/Cl 52652b7078f34623ff30f9a09a53d522 [0,2,0,0,0,0|0,0,2]=4 14416 B13R0.179 C/C(=C/COCCCCCC(=O)O)/I 8a5dc428572f94dba5eab2010405d0f9 [0,2,0,0,0,0|0,0,2]=4 14417 B13R0.179 C/C(=C\CNCCCCCC(=O)O)/Cl d098a7227ab110a4a10722e674c67c1f [0,2,0,0,0,0|0,0,2]=4 14418 B13R0.179 C/C(=C\COCCCCCC(=O)O)/Cl 987f9f4737b2a4afae038da420d2fd01 [0,2,0,0,0,0|0,0,2]=4 14419 B13R0.179 C=C(Br)CCOCCCCCC(C)C d39a1c587d91aa18239e79a9f566fac7 [0,2,0,0,0,0|2,0,0]=4 14420 B13R0.179 C=C(Br)CNCCCCCCC(=O)O 73958e2033fa8c91e7db14a634618a36 [0,2,0,0,0,0|0,0,2]=4 14421 B13R0.179 C=C(Br)CNCCCCCCC(C)C 03fc33997a9178a64ced38f39d334169 [0,2,0,0,0,0|2,0,0]=4 14422 B13R0.179 C=C(Br)COCCCCCCC(=O)O fc51ffbd6d54afa78896589d475173a9 [0,2,0,0,0,0|0,0,2]=4 14423 B13R0.179 C=C(Br)COCCCCCCC(C)C 0f3d44057ea724b72d1d5443f3fb8ece [0,2,0,0,0,0|2,0,0]=4 14424 B13R0.179 C=C(C)CCCNCCCCC(=O)N 8458c0db4d55264e95ea1f65980e2554 [0,2,0,0,0,0|1,0,1]=4 14425 B13R0.179 C=C(C)CCCNCCCCC(=O)O e465694991d9c5479e89d469f9cb19b1 [0,2,0,0,0,0|0,0,1]=3 14426 B13R0.179 C=C(C)CCCNCCOCC(=O)O 82aa74e3c7e6b22540735542fe16ff0d [0,2,0,0,0,0|1,0,1]=4 14427 B13R0.179 C=C(C)CCCOCCCCC(=O)C 95a43e79f966101c465b44358bb4fedf [0,2,0,0,0,0|1,0,1]=4 14428 B13R0.179 C=C(C)CCCOCCCCC(=O)N 7a64a133b86af9176ceb3ac9e204a79d [0,2,0,0,0,0|1,0,1]=4 14429 B13R0.179 C=C(C)CCCOCCCCC(=O)O 5dc6a407899a65fb4ae722973d9a0222 [0,2,0,0,0,0|0,0,1]=3 14430 B13R0.179 C=C(C)CCCOCCCCC(C)C fa6b18226b30955afb92863078fbfaf5 [0,2,0,0,0,0|2,0,0]=4 14431 B13R0.179 C=C(C)CCCOCCOCC(=O)O 19fbaea0c215d94e5ef9c4a3916b89d7 [0,2,0,0,0,0|1,0,1]=4 14432 B13R0.179 C=C(C)CCNCCCCCC(=O)C 5bdcb96093aebaf07248bad4929f3cb2 [0,2,0,0,0,0|1,0,1]=4 14433 B13R0.179 C=C(C)CCNCCCCCC(=O)N 5525635cd71bf4cccfabff6a5cfec62d [0,2,0,0,0,0|1,0,1]=4 14434 B13R0.179 C=C(C)CCNCCCCCC(=O)O 5e443fb39444b20027a3482424ce674f [0,2,0,0,0,0|0,0,1]=3 14435 B13R0.179 C=C(C)CCNCCCCCC(C)C f899fdd3c75293054ce5dea3412e342b [0,2,0,0,0,0|2,0,0]=4 14436 B13R0.179 C=C(C)CCNCCCOCC(=O)O ebb5cd02fa2ad062c6137b12971907f6 [0,2,0,0,0,0|1,0,1]=4 14437 B13R0.179 C=C(C)CCNCCOCCC(=O)O 8a99fccc2cd0a9434055bf945cca4d20 [0,2,0,0,0,0|1,0,1]=4 14438 B13R0.179 C=C(C)CCOCCCCCC(=O)C 277b7eb2b770c7f9510cbd4fa262a683 [0,2,0,0,0,0|1,0,1]=4 14439 B13R0.179 C=C(C)CCOCCCCCC(=O)N e223bbc548d0cdbb2c69b7566f02388b [0,2,0,0,0,0|1,0,1]=4 14440 B13R0.179 C=C(C)CCOCCCCCC(=O)O b798297d1c95849f3bfba78d1b7a13c9 [0,2,0,0,0,0|0,0,1]=3 14441 B13R0.179 C=C(C)CCOCCCCCC(C)C 0c89032bf500f4d456e9b5be38fb7bef [0,2,0,0,0,0|2,0,0]=4 14442 B13R0.179 C=C(C)CCOCCCOCC(=O)O 229db6c301fb57c3e4b7616f59d98d2e [0,2,0,0,0,0|1,0,1]=4 14443 B13R0.179 C=C(C)CCOCCOCCC(=O)O 7fbeadb2eb76a688706854330aa407b4 [0,2,0,0,0,0|1,0,1]=4 14444 B13R0.179 C=C(C)CNCCCCCCC(=O)O 3fd2b0e3787747ecd07671a6444d7397 [0,2,0,0,0,0|0,0,1]=3 14445 B13R0.179 C=C(C)CNCCCCCCC(C)C d317c84887fdd09218c9bb996996377e [0,2,0,0,0,0|2,0,0]=4 14446 B13R0.179 C=C(C)COCCCCCCC(=O)N d2a79917ed1f06ca7a7d6f74e8f496cf [0,2,0,0,0,0|1,0,1]=4 14447 B13R0.179 C=C(C)COCCCCCCC(=O)O 4ad6bf988d3b7f349cfd757aebd8ffa7 [0,2,0,0,0,0|0,0,1]=3 14448 B13R0.179 C=C(C)COCCCCCCC(C)C f323da6a8406642648fc1ebb181f1d30 [0,2,0,0,0,0|2,0,0]=4 14449 B13R0.179 C=C(C)COCCOCCCC(=O)O f6371a0b8393a880ce398f38d5c18385 [0,2,0,0,0,0|1,0,1]=4 14450 B13R0.179 C=C(Cl)CNCCCCCCC(=O)O a9b8edd50e0ad5da06fb6f53fdf2c0d9 [0,2,0,0,0,0|0,0,2]=4 14451 B13R0.179 C=C(Cl)CNCCCCCCC(C)C bd48760664873c4fee11b152c097d196 [0,2,0,0,0,0|2,0,0]=4 14452 B13R0.179 C=C(Cl)COCCCCCCC(=O)O affc37cccc33e8187652086d069a6265 [0,2,0,0,0,0|0,0,2]=4 14453 B13R0.179 C=C(Cl)COCCCCCCC(C)C 3a21be559305904866c27f52e2e9891b [0,2,0,0,0,0|2,0,0]=4 14454 B13R0.179 C=C(F)CNCCCCCCC(=O)O e00da89878c79335579c3508b74ccb54 [0,2,0,0,0,0|0,0,2]=4 14455 B13R0.179 C=C(F)CNCCCCCCC(C)C c7dd20647aa567b269c6e3319aed9b31 [0,2,0,0,0,0|2,0,0]=4 14456 B13R0.179 C=C(F)COCCCCCCC(=O)O b2cbebe56fad16883093793b6a6c6b90 [0,2,0,0,0,0|0,0,2]=4 14457 B13R0.179 C=C(F)COCCCCCCC(C)C 26c67491b72bbd467445daf1afed396c [0,2,0,0,0,0|2,0,0]=4 14458 B13R0.179 CC(=CCCNCCCCC(=O)O)C cacb056db63abadd09a85ed98d4c2b16 [0,2,0,0,0,0|0,0,2]=4 14459 B13R0.179 CC(=CCCOCCCCC(=O)O)C cd8c4afedbc8a81b71346493766a43b1 [0,2,0,0,0,0|0,0,2]=4 14460 B13R0.179 CC(=CCNCCCCCC(=O)O)C 2f5ed1f8f55fcc2ecb023a40f5717371 [0,2,0,0,0,0|0,0,2]=4 14461 B13R0.179 CC(=CCNCCCCCC(=O)O)Cl 2a8903960891979ef1d96fb0d4ce3c2f [0,2,0,0,0,0|0,0,2]=4 14462 B13R0.179 CC(=CCNCCCCCC(=O)O)I f8c8ef2d04d3d70459991b0ad9a609e8 [0,2,0,0,0,0|0,0,2]=4 14463 B13R0.179 CC(=CCOCCCCCC(=O)O)C c7f371943f8a3fd237d6dc5c6d82d172 [0,2,0,0,0,0|0,0,2]=4 14464 B13R0.179 CC(=CCOCCCCCC(=O)O)Cl c18cc253fe3613c4f6397f20f64cf72a [0,2,0,0,0,0|0,0,2]=4 14465 B13R0.179 CC(=CCOCCCCCC(=O)O)I 50ee5385dc70e889eec0b369a177061a [0,2,0,0,0,0|0,0,2]=4 14466 B13R0.179 CC(=O)CCCCCCCOC(C)C f933978800bb44e13ca94ccaa760acc4 [0,2,0,0,0,0|1,0,0]=3 14467 B13R0.179 CC(=O)CCCCCNCCC(=O)N c5b610d88cb830de0ec0d11a59754421 [0,2,0,0,0,0|1,0,1]=4 14468 B13R0.179 CC(=O)CCCCCNCCC(=O)O 369eec7c9f69218aba60bb3162bfa397 [0,2,0,0,0,0|0,0,1]=3 14469 B13R0.179 CC(=O)CCCCCNCCC(C)C 66e102749886408e5027a9e017d20c53 [0,2,0,0,0,0|1,0,0]=3 14470 B13R0.179 CC(=O)CCCCCNCCC(C)O 06e3d6355ae36368d72dbdde0caae833 [0,2,0,0,0,0|1,0,0]=3 14471 B13R0.179 CC(=O)CCCCCNCCC(F)F b2aa7b48bdbe12b33004a5b8e5731fcf [0,2,0,0,0,0|2,0,0]=4 14472 B13R0.179 CC(=O)CCCCCNCCN(C)C 02f1af97d919d95f2867f60ad1076d23 [0,2,0,0,0,0|2,0,0]=4 14473 B13R0.179 CC(=O)CCCCCNCCS(=O)C 4f2a59b94ee593fd706c5466a484b533 [0,2,0,0,0,0|2,0,0]=4 14474 B13R0.179 CC(=O)CCCCCNCCS(=O)O d5f9fa389f2e881ac2367750fd308ddd [0,2,0,0,0,0|1,0,1]=4 14475 B13R0.179 CC(=O)CCCCCNCC[C@@H](C)O 29b9a1f963a39a558b2597a23d0cf412 [0,2,0,0,0,0|1,0,0]=3 14476 B13R0.179 CC(=O)CCCCCNCC[C@H](C)O 05b0efb21f7caa6f77d43206ac6a6162 [0,2,0,0,0,0|1,0,0]=3 14477 B13R0.179 CC(=O)CCCCCOCCC(=O)C 2a557447136f6954528300afc0536302 [0,2,0,0,0,0|1,0,1]=4 14478 B13R0.179 CC(=O)CCCCCOCCC(=O)N c3e2b27dc0d8bd769312f71705d1465c [0,2,0,0,0,0|1,0,1]=4 14479 B13R0.179 CC(=O)CCCCCOCCC(=O)O f80b6c99f9a324094f18f9c8df83f595 [0,2,0,0,0,0|0,0,1]=3 14480 B13R0.179 CC(=O)CCCCCOCCC(C)C 5d1c9d3ee3a925364180f2936223fd00 [0,2,0,0,0,0|1,0,0]=3 14481 B13R0.179 CC(=O)CCCCCOCCC(F)F c5d9db3699b4cb9efca83fba976c678c [0,2,0,0,0,0|2,0,0]=4 14482 B13R0.179 CC(=O)CCCCCOCCN(C)C 2de2701baa56819c891ac5b8b93a16f7 [0,2,0,0,0,0|2,0,0]=4 14483 B13R0.179 CC(=O)CCCCCOCCS(=O)C 7786a4ecfa030c23b0a001b963067cc6 [0,2,0,0,0,0|2,0,0]=4 14484 B13R0.179 CC(=O)CCCCNCCCC(=O)N 43467a8275c046dfbe8befddaf9cf5d1 [0,2,0,0,0,0|1,0,1]=4 14485 B13R0.179 CC(=O)CCCCNCCCC(=O)O b9e1e141eb5607e8936ef89a1efe5f1b [0,2,0,0,0,0|0,0,1]=3 14486 B13R0.179 CC(=O)CCCCNCCCC(C)C f26dacc6e6cc963cf52fc10025026c8b [0,2,0,0,0,0|1,0,0]=3 14487 B13R0.179 CC(=O)CCCCNCCCN(C)C 1a46f67a7462aa22f5abaeab959f5a41 [0,2,0,0,0,0|2,0,0]=4 14488 B13R0.179 CC(=O)CCCCNCCCS(=O)C ffa411d6e385b369404be25690c343d3 [0,2,0,0,0,0|2,0,0]=4 14489 B13R0.179 CC(=O)CCCCNCCOC(C)C 8a5c19487234c3f76485ddaa6135ffbf [0,2,0,0,0,0|2,0,0]=4 14490 B13R0.179 CC(=O)CCCCOCCCC(=O)C 3ad0310f756ecb2668756536498c8fcc [0,2,0,0,0,0|1,0,1]=4 14491 B13R0.179 CC(=O)CCCCOCCCC(=O)N 293bc324c7e432ab9a04672672747178 [0,2,0,0,0,0|1,0,1]=4 14492 B13R0.179 CC(=O)CCCCOCCCC(C)C ccf90b05b24dca4e5330bd74999e460d [0,2,0,0,0,0|1,0,0]=3 14493 B13R0.179 CC(=O)CCCCOCCCN(C)C eaffe7befc310dc2961b0c7b9a721112 [0,2,0,0,0,0|2,0,0]=4 14494 B13R0.179 CC(=O)CCCCOCCOC(C)C be6a3b04f671bf8be9b38187770b97e9 [0,2,0,0,0,0|2,0,0]=4 14495 B13R0.179 CC(=O)CCCCOCCSC(C)C d3d223ca1f14d2b2d3a641049a0e8ef6 [0,2,0,0,0,0|2,0,0]=4 14496 B13R0.179 CC(=O)CCCNCCCCC(=O)N 33cbd96edc5a151aed731d3674156938 [0,2,0,0,0,0|1,0,1]=4 14497 B13R0.179 CC(=O)CCCNCCCCC(=O)O 44e7fc526f8c23f7441a3e6d48011133 [0,2,0,0,0,0|0,0,1]=3 14498 B13R0.179 CC(=O)CCCNCCCCC(F)F 553cef6e10bfff70ab1548976b9e0678 [0,2,0,0,0,0|2,0,0]=4 14499 B13R0.179 CC(=O)CCCNCCCCN(C)C c596c46945485851b14bc109c13b3a86 [0,2,0,0,0,0|2,0,0]=4 14500 B13R0.179 CC(=O)CCCNCCCOC(C)C 17bbe23c39a9ea8adea20f8adc07a000 [0,2,0,0,0,0|2,0,0]=4 14501 B13R0.179 CC(=O)CCCNCCCSC(C)C 7a3630ef37b0fc229875dadf414bad3f [0,2,0,0,0,0|2,0,0]=4 14502 B13R0.179 CC(=O)CCCNCCOCC(=O)O d526e3b5c35f11c0bcb6654c5d480b19 [0,2,0,0,0,0|1,0,1]=4 14503 B13R0.179 CC(=O)CCCNCCSCC(=O)O 1d65c33377c20872ce7cd5627f418dfe [0,2,0,0,0,0|1,0,1]=4 14504 B13R0.179 CC(=O)CCCOCCCCC(=O)N 66766ccd60ed8bea0bf4916bce227b77 [0,2,0,0,0,0|1,0,1]=4 14505 B13R0.179 CC(=O)CCCOCCCCC(=O)O e8cf65d8a59003bf5a1735a55032325c [0,2,0,0,0,0|0,0,1]=3 14506 B13R0.179 CC(=O)CCCOCCCCC(C)C 201419bb6239931829fb270db0df2ad9 [0,2,0,0,0,0|1,0,0]=3 14507 B13R0.179 CC(=O)CCCOCCCCN(C)C 29c2d3a9d46aca1196a6d482384ce20f [0,2,0,0,0,0|2,0,0]=4 14508 B13R0.179 CC(=O)CCCOCCCOC(C)C c78d523ddd5c8812c51029600780170d [0,2,0,0,0,0|2,0,0]=4 14509 B13R0.179 CC(=O)CCCOCCCSC(C)C 0b08e64b37b2f668794e2477666b7a57 [0,2,0,0,0,0|2,0,0]=4 14510 B13R0.179 CC(=O)CCCOCCOCC(=O)O 2dddb154d88f80d9755ee22541d9e258 [0,2,0,0,0,0|1,0,1]=4 14511 B13R0.179 CC(=O)CCCOCCOCC(C)C 25e2441015daf4170b261f8f019ba7ed [0,2,0,0,0,0|2,0,0]=4 14512 B13R0.179 CC(=O)CCCOCCSCC(C)C cdb62e468c77689e71e134413a4affb8 [0,2,0,0,0,0|2,0,0]=4 14513 B13R0.179 CC(=O)CCNCCCCCC(=O)N 83d2d6dc0df3e724781b0e180d622954 [0,2,0,0,0,0|1,0,1]=4 14514 B13R0.179 CC(=O)CCNCCCCCC(=O)O b66bfd85e3db36c30b295f9b103d75fc [0,2,0,0,0,0|0,0,1]=3 14515 B13R0.179 CC(=O)CCNCCCCCC(C)C 02e4be4ab4a7b8d769df149229698d0c [0,2,0,0,0,0|1,0,0]=3 14516 B13R0.179 CC(=O)CCNCCCCCN(C)C c150d380259463b2c8d4d77c00b0fa44 [0,2,0,0,0,0|2,0,0]=4 14517 B13R0.179 CC(=O)CCNCCCOCC(C)C 3b3a9ee71df9554e78d56081df53ab6b [0,2,0,0,0,0|2,0,0]=4 14518 B13R0.179 CC(=O)CCNCCOCCC(=O)O d860ba88a6452b7509674a07b4e0ce1b [0,2,0,0,0,0|1,0,1]=4 14519 B13R0.179 CC(=O)CCOCCCCCC(=O)N 625fd0cf760a0538a03c3e4a21b87e84 [0,2,0,0,0,0|1,0,1]=4 14520 B13R0.179 CC(=O)CCOCCCCCC(=O)O 52cdaddb208911bc88f0578f9f25b4f1 [0,2,0,0,0,0|0,0,1]=3 14521 B13R0.179 CC(=O)CCOCCCCCC(C)C adc90eec746472cfc489318a9c3c698f [0,2,0,0,0,0|1,0,0]=3 14522 B13R0.179 CC(=O)CCOCCCCCC(F)F 77af9a8e5f186856ad776dbc78ebd5bc [0,2,0,0,0,0|2,0,0]=4 14523 B13R0.179 CC(=O)CCOCCCCCN(C)C 204265d1d38573646f45d53acaeed563 [0,2,0,0,0,0|2,0,0]=4 14524 B13R0.179 CC(=O)CCOCCCOCC(=O)O 618ed46d685287495021d04fabc6feb6 [0,2,0,0,0,0|1,0,1]=4 14525 B13R0.179 CC(=O)CCOCCCOCC(C)C 8c14baf1029f6a99e010db17b49fe07b [0,2,0,0,0,0|2,0,0]=4 14526 B13R0.179 CC(=O)CCOCCCSCC(C)C d4c27d6cf0ee7129c0ed78506b2084f6 [0,2,0,0,0,0|2,0,0]=4 14527 B13R0.179 CC(=O)CCOCCOCCC(=O)O 7457ddb577a153b3ecaa7311e950390f [0,2,0,0,0,0|1,0,1]=4 14528 B13R0.179 CC(=O)NCCCCCCCN(C)C c78095380918de52b59ea8001c6d019f [0,2,0,0,0,0|2,0,0]=4 14529 B13R0.179 CC(=O)NCCCCCCNC(C)C 7e945156290b258c586b0519f024629f [0,2,0,0,0,0|2,0,0]=4 14530 B13R0.179 CC(=O)NCCCCCNCC(=O)O 9a98b7a688c60fb7f559a7ca0587a033 [0,2,0,0,0,0|1,0,1]=4 14531 B13R0.179 CC(=O)NCCCCCNCC(C)C 40a256c87c0ac9e5a1149f2a74e84cb8 [0,2,0,0,0,0|2,0,0]=4 14532 B13R0.179 CC(=O)NCCCCCNCC(C)O a3acc3b4e7ede8925da759a6e51b2d27 [0,2,0,0,0,0|2,0,0]=4 14533 B13R0.179 CC(=O)NCCCCCNC[C@@H](C)O 8bbb473677b24873d5a17aa864a6cc14 [0,2,0,0,0,0|2,0,0]=4 14534 B13R0.179 CC(=O)NCCCCCNC[C@H](C)O 5b63350b055a8103704e591f281669f9 [0,2,0,0,0,0|2,0,0]=4 14535 B13R0.179 CC(=O)NCCCCNCCC(=O)O 89de6519990b6d2021c65928f14b8099 [0,2,0,0,0,0|1,0,1]=4 14536 B13R0.179 CC(=O)NCCCCNCCC(C)C c4e27e0389ae52a6e29b21fc45a8a21e [0,2,0,0,0,0|2,0,0]=4 14537 B13R0.179 CC(=O)NCCCCNCCC(C)O 5a64b132a9cbe5651fe977ae9132117d [0,2,0,0,0,0|2,0,0]=4 14538 B13R0.179 CC(=O)NCCCNCCCC(=O)O 152791235cedbfbff35165ce791f54e7 [0,2,0,0,0,0|1,0,1]=4 14539 B13R0.179 CC(=O)NCCCNCCCC(C)C 1c73ffc92ced84f0d86eaa5a99c3800b [0,2,0,0,0,0|2,0,0]=4 14540 B13R0.179 CC(=O)NCCCNCCCC(C)O 8c5069b4536f4e50692decd7291ef53c [0,2,0,0,0,0|2,0,0]=4 14541 B13R0.179 CC(=O)NCCCOCCCC(C)C 7b4d95542ce8d01edc29cd1f52cc915b [0,2,0,0,0,0|2,0,0]=4 14542 B13R0.179 CC(=O)NCCNCCCCC(=O)O 871211c9a7ba7930e7d21f568ab44978 [0,2,0,0,0,0|1,0,1]=4 14543 B13R0.179 CC(=O)NCCNCCCCC(C)C 6a268116ffc8187d8cc94c5e9f9fdf6e [0,2,0,0,0,0|2,0,0]=4 14544 B13R0.179 CC(=O)NCCNCCCCC(C)O 767f3d2f677ddf0d6fea4c3461b791bf [0,2,0,0,0,0|2,0,0]=4 14545 B13R0.179 CC(=O)NCCNCCCC[C@@H](C)O f5161cc9577a7b6f4160ca156dd773f0 [0,2,0,0,0,0|2,0,0]=4 14546 B13R0.179 CC(=O)NCCOCCCCC(=O)O a1fb6e80a94d622d5b19432d795adae3 [0,2,0,0,0,0|1,0,1]=4 14547 B13R0.179 CC(=O)NCCOCCCCC(C)C 325763478668f0cc85f245e7dc74a2c4 [0,2,0,0,0,0|2,0,0]=4 14548 B13R0.179 CC(=O)NCOCCCCCC(C)C 0b746617ba6d6872a8ff21a2e18d4567 [0,2,0,0,0,0|2,0,0]=4 14549 B13R0.179 CC(=O)OCCCCCCOC(C)C d373f62feca4a949c381c44ab990dbb2 [0,2,0,0,0,0|2,0,0]=4 14550 B13R0.179 CC(=O)OCCCCCNCC(=O)O 607f4361114442a03f304760d7081707 [0,2,0,0,0,0|1,0,1]=4 14551 B13R0.179 CC(=O)OCCCCCNCC(C)C 832b0f7f47f94fcf9e8e123d71e7e465 [0,2,0,0,0,0|2,0,0]=4 14552 B13R0.179 CC(=O)OCCCCCNCC(C)O 7f8b52f3dcb2ca020f4c4118fc2a4d25 [0,2,0,0,0,0|2,0,0]=4 14553 B13R0.179 CC(=O)OCCCCCNC[C@@H](C)O 9cfe4575ed8ad68181f327309a743dc3 [0,2,0,0,0,0|2,0,0]=4 14554 B13R0.179 CC(=O)OCCCCCNC[C@H](C)O d932e3359040cc56394f9f71f414a56d [0,2,0,0,0,0|2,0,0]=4 14555 B13R0.179 CC(=O)OCCCCCOCC(=O)O 6c8f615d069ac2058d3d17a34f8ad297 [0,2,0,0,0,0|1,0,1]=4 14556 B13R0.179 CC(=O)OCCCCCOCC(C)C fde5d1d06063b89a7a00ba2c42f3a96c [0,2,0,0,0,0|2,0,0]=4 14557 B13R0.179 CC(=O)OCCCCCOCC(C)F 066fa0239055a09ae096cbe8cd86fa0a [0,2,0,0,0,0|2,0,0]=4 14558 B13R0.179 CC(=O)OCCCCCOCC(C)S 928e3663c13eb0db5d2e0334fe85ecdd [0,2,0,0,0,0|2,0,0]=4 14559 B13R0.179 CC(=O)OCCCCCOC[C@@H](C)F 049019bbae11e141997a9db576017694 [0,2,0,0,0,0|2,0,0]=4 14560 B13R0.179 CC(=O)OCCCCCOC[C@H](C)F 72ecf70982d5f74ae6f277dd34ede5ce [0,2,0,0,0,0|2,0,0]=4 14561 B13R0.179 CC(=O)OCCCCNCCC(=O)O f350edab8ad1348f1985d9d96295a446 [0,2,0,0,0,0|1,0,1]=4 14562 B13R0.179 CC(=O)OCCCCNCCC(C)C a1eb9ba7870ee8969686dadc207d4d59 [0,2,0,0,0,0|2,0,0]=4 14563 B13R0.179 CC(=O)OCCCCNCCC(C)O a452e36f077ae0c6cb29f42227272b07 [0,2,0,0,0,0|2,0,0]=4 14564 B13R0.179 CC(=O)OCCCCNCC[C@@H](C)O fe8e28173f087760a30d675a43829d9c [0,2,0,0,0,0|2,0,0]=4 14565 B13R0.179 CC(=O)OCCCCNCC[C@H](C)O 715ee8d3aad8e3cdd8aefd056d4c0201 [0,2,0,0,0,0|2,0,0]=4 14566 B13R0.179 CC(=O)OCCCCOCCC(=O)O 62f37e9f05d2d5ccbf3caeeb1652565b [0,2,0,0,0,0|1,0,1]=4 14567 B13R0.179 CC(=O)OCCCCOCCC(C)C 6c47459326f569687e19f52d0060fd86 [0,2,0,0,0,0|2,0,0]=4 14568 B13R0.179 CC(=O)OCCCNCCCC(=O)O 7d321214194e9f6bfeec0cbdafe4f9f9 [0,2,0,0,0,0|1,0,1]=4 14569 B13R0.179 CC(=O)OCCCNCCCC(C)C e2d869734ec02812ad1985070ae5237a [0,2,0,0,0,0|2,0,0]=4 14570 B13R0.179 CC(=O)OCCCOCCCC(=O)O 9e8cb2390a98344132b25d12a57970c0 [0,2,0,0,0,0|1,0,1]=4 14571 B13R0.179 CC(=O)OCCCOCCCC(C)C 76cef3ff964899b54d1289ae2e4ec824 [0,2,0,0,0,0|2,0,0]=4 14572 B13R0.179 CC(=O)OCCNCCCCC(=O)O a8cd9421c8735a0d6171a27aa9c4f957 [0,2,0,0,0,0|1,0,1]=4 14573 B13R0.179 CC(=O)OCCOCCCCC(=O)O e5323e79ee2cf1f5b8d99c8f0fe00179 [0,2,0,0,0,0|1,0,1]=4 14574 B13R0.179 CC(=O)OCCOCCCCC(C)C 1cb602d636f428c9520ee1b544179486 [0,2,0,0,0,0|2,0,0]=4 14575 B13R0.179 CC(=O)OCNCCCCCC(=O)O 35652e7d3bed2990b7558a42a74155ee [0,2,0,0,0,0|1,0,1]=4 14576 B13R0.179 CC(=O)OCNCCCCCC(C)C 57d036034cfc79f10c337bf12d97988e [0,2,0,0,0,0|2,0,0]=4 14577 B13R0.179 CC(=O)OCOCCCCCC(=O)O b41f372d75fef36c6662625468d46c92 [0,2,0,0,0,0|1,0,1]=4 14578 B13R0.179 CC(=O)OCOCCCCCC(C)C ad2dcb568bb5048992598a08dc23b14f [0,2,0,0,0,0|2,0,0]=4 14579 B13R0.179 CC(=O)SCCCCNCCC(=O)O ebf5047fb6a4b86a0dc784d48c041123 [0,2,0,0,0,0|1,0,1]=4 14580 B13R0.179 CC(=O)SCCCCNCCC(C)C 382293b18070c00d7473b942b3969baa [0,2,0,0,0,0|2,0,0]=4 14581 B13R0.179 CC(=O)SCCCCNCCC(C)O 3d0288771056983fbf0a7bd81412ed7f [0,2,0,0,0,0|2,0,0]=4 14582 B13R0.179 CC(=O)SCCCCNCC[C@@H](C)O 665d79404b544faaf5b70ff884b6361d [0,2,0,0,0,0|2,0,0]=4 14583 B13R0.179 CC(=O)SCCCCNCC[C@H](C)O 26821c795684322163c4c3a73888dcac [0,2,0,0,0,0|2,0,0]=4 14584 B13R0.179 CC(=O)SCCCCOCCC(=O)O 91a2daf102577920631f1ef60bda88f4 [0,2,0,0,0,0|1,0,1]=4 14585 B13R0.179 CC(=O)SCCCCOCCC(C)C 87fd3bdfa0c9ef1341b919a9d6bb1f2e [0,2,0,0,0,0|2,0,0]=4 14586 B13R0.179 CC(=O)SCCCNCCCC(=O)O df0a17ad66d3f080ebd40b709858ba91 [0,2,0,0,0,0|1,0,1]=4 14587 B13R0.179 CC(=O)SCCCNCCCC(C)C b98412ece271ba51dbb97f069eddda4b [0,2,0,0,0,0|2,0,0]=4 14588 B13R0.179 CC(=O)SCCCOCCCC(C)C 23bb17643c451d1bf08ed00aecb8e830 [0,2,0,0,0,0|2,0,0]=4 14589 B13R0.179 CC(=O)SCCNCCCCC(=O)O 8c8b2b3ae6d747ac12179e7d8e90299c [0,2,0,0,0,0|1,0,1]=4 14590 B13R0.179 CC(=O)SCCOCCCCC(=O)O 0ab342a65c5725daa3a24ad4c1d2502c [0,2,0,0,0,0|1,0,1]=4 14591 B13R0.179 CC(=O)SCCOCCCCC(C)C df966b8b760ff0a10220e10aa02126a2 [0,2,0,0,0,0|2,0,0]=4 14592 B13R0.179 CC(=S)OCCCNCCCC(=O)O 4f182773cbdf211f61995bdbc68919bb [0,2,0,0,0,0|1,0,1]=4 14593 B13R0.179 CC(C)/C=C/CNCCCCC(=O)O c099605aa3d5817e51b4ff00c7729e97 [0,2,0,0,0,0|0,0,2]=4 14594 B13R0.179 CC(C)/C=C/COCCCCC(=O)O cf0df9951664f1ed46aa21025333648d [0,2,0,0,0,0|0,0,2]=4 14595 B13R0.179 CC(C)CCCCCCNCC(=O)N 31663063090c616ddec236122f9ffc35 [0,2,0,0,0,0|1,0,0]=3 14596 B13R0.179 CC(C)CCCCCCNCC(=O)O 1b8c90b0b08db363ee8d358868835aee [0,2,0,0,0,0|0,0,0]=2 14597 B13R0.179 CC(C)CCCCCCNCC(C)O 0b27d32dc82c303c963d0ec5c88faa4d [0,2,0,0,0,0|1,0,1]=4 14598 B13R0.179 CC(C)CCCCCCNC[C@@H](C)O 61f1d99a3fa169ff9afd061ef0dba9ab [0,2,0,0,0,0|1,0,1]=4 14599 B13R0.179 CC(C)CCCCCCNC[C@H](C)O 03daafd1e926349a505e84b477d7bb6f [0,2,0,0,0,0|1,0,1]=4 14600 B13R0.179 CC(C)CCCCCCNC[N+](=O)[O-] 9236917f34fbb7b8f5929f05c077484d [0,2,0,0,0,0|1,0,1]=4 14601 B13R0.179 CC(C)CCCCCCOCC(=O)N 88cc7b16c5f1f26848d5ad296799fb5b [0,2,0,0,0,0|1,0,0]=3 14602 B13R0.179 CC(C)CCCCCCOCC(=O)O 8d2103d938c77bfb4f939c52f50b3c95 [0,2,0,0,0,0|0,0,0]=2 14603 B13R0.179 CC(C)CCCCCCOC[N+](=O)[O-] 2f10596af76d98274c490ea895fea88d [0,2,0,0,0,0|1,0,1]=4 14604 B13R0.179 CC(C)CCCCCNCCC(=O)N aec4f9e7f7ae1c491afd62d8a8a64024 [0,2,0,0,0,0|1,0,0]=3 14605 B13R0.179 CC(C)CCCCCNCCC(=O)O ac11dd5f89c7f1fb6cd36112b1a3408c [0,2,0,0,0,0|0,0,0]=2 14606 B13R0.179 CC(C)CCCCCNCCC(=S)N 28f2804ce57798bb09538e0f942cb148 [0,2,0,0,0,0|1,1,0]=4 14607 B13R0.179 CC(C)CCCCCNCCC(C)O 4a4795bcbcbf9d89bb57f8611c7a33fd [0,2,0,0,0,0|1,0,1]=4 14608 B13R0.179 CC(C)CCCCCNCCS(=O)C 4cba77889398a9b2f7b631df31947969 [0,2,0,0,0,0|2,0,0]=4 14609 B13R0.179 CC(C)CCCCCNCCS(=O)O b560a95f8bcb760897ba105ffa10a003 [0,2,0,0,0,0|1,0,0]=3 14610 B13R0.179 CC(C)CCCCCNCC[C@@H](C)O 6fcb068b04dd80869d711d494829cae5 [0,2,0,0,0,0|1,0,1]=4 14611 B13R0.179 CC(C)CCCCCNCC[C@H](C)O cca035a17668832b25d9905fe10ead7f [0,2,0,0,0,0|1,0,1]=4 14612 B13R0.179 CC(C)CCCCCNCSC(=O)N 0987895502127452b7cd348bb74b8b03 [0,2,0,0,0,0|2,0,0]=4 14613 B13R0.179 CC(C)CCCCCOCCC(=O)N e51522761646feda3246e146a4ed60b3 [0,2,0,0,0,0|1,0,0]=3 14614 B13R0.179 CC(C)CCCCCOCCC(=O)O 7ee59644de728b5bf8cbee321fd2403e [0,2,0,0,0,0|0,0,0]=2 14615 B13R0.179 CC(C)CCCCCOCCS(=O)C bf80b68589f939cdcefe64633c6c0b1b [0,2,0,0,0,0|2,0,0]=4 14616 B13R0.179 CC(C)CCCCCOCC[N+](=O)[O-] eb75268d9a104ecacad901932e189166 [0,2,0,0,0,0|1,0,1]=4 14617 B13R0.179 CC(C)CCCCCOCNC(=O)N 7190fa95b5031bfd6b68301808c11711 [0,2,0,0,0,0|2,0,0]=4 14618 B13R0.179 CC(C)CCCCCOCSC(=O)N 4d0894dc1d4f4dcd0ad9cc05745cd55f [0,2,0,0,0,0|2,0,0]=4 14619 B13R0.179 CC(C)CCCCNC/C=C/C(=O)O 7196261228ef4ea394aa1d421f738b7a [0,2,0,0,0,0|0,0,2]=4 14620 B13R0.179 CC(C)CCCCNCC#CC(=O)O 68b8ac1628d8d6e9cd93a042b6407701 [0,2,0,0,0,0|0,0,2]=4 14621 B13R0.179 CC(C)CCCCNCC=CC(=O)O 9cfcde4a0fd57de15132ce1d80d1c41c [0,2,0,0,0,0|0,0,2]=4 14622 B13R0.179 CC(C)CCCCNCCCC(=O)N 088f0805e9d3313be16fbcc2fdf7a00e [0,2,0,0,0,0|1,0,0]=3 14623 B13R0.179 CC(C)CCCCNCCCC(=O)O 79ec125e4584341029d3e70752328150 [0,2,0,0,0,0|0,0,0]=2 14624 B13R0.179 CC(C)CCCCNCCCS(=O)C eeabce6a1528dab4e588deac18111f50 [0,2,0,0,0,0|2,0,0]=4 14625 B13R0.179 CC(C)CCCCOC/C=C/C(=O)O 098cb3091046c9149ba6bf5ed3ab526a [0,2,0,0,0,0|0,0,2]=4 14626 B13R0.179 CC(C)CCCCOCC#CC(=O)O 9620b3b702de8833ee400e8ebd6c54f3 [0,2,0,0,0,0|0,0,2]=4 14627 B13R0.179 CC(C)CCCCOCC=CC(=O)O 689a017c25291efdd857d26c9476ad89 [0,2,0,0,0,0|0,0,2]=4 14628 B13R0.179 CC(C)CCCCOCCCC(=O)N 46751b8a81a99fa9ae0b90e3be657999 [0,2,0,0,0,0|1,0,0]=3 14629 B13R0.179 CC(C)CCCCOCCC[N+](=O)[O-] 94a6db864a7dfcbcfde9517343883a58 [0,2,0,0,0,0|1,0,1]=4 14630 B13R0.179 CC(C)CCCCOCCNC(=O)N c1ff024300bb8f05170ccd6d719a7f8c [0,2,0,0,0,0|2,0,0]=4 14631 B13R0.179 CC(C)CCCNCCCCC(=O)N bd2c0b9a9a7f4b58edae3c29f25c4b27 [0,2,0,0,0,0|1,0,0]=3 14632 B13R0.179 CC(C)CCCNCCCCC(=O)O 227d7f944f5ee831a1ba159238aaa234 [0,2,0,0,0,0|0,0,0]=2 14633 B13R0.179 CC(C)CCCNCCCCC(C)O 495cfb9466f1dc19b98a0e3ee7a1df0d [0,2,0,0,0,0|1,0,1]=4 14634 B13R0.179 CC(C)CCCNCCCC[C@@H](C)O 8dc295972edb218dd9b42a1a75973209 [0,2,0,0,0,0|1,0,1]=4 14635 B13R0.179 CC(C)CCCNCCOCC(=O)N 2ef8d32625412be7fd30f2f8a778f526 [0,2,0,0,0,0|2,0,0]=4 14636 B13R0.179 CC(C)CCCNCCOCC(=O)O 4465acd1fde8d46c6d5e8a8af7dae8dc [0,2,0,0,0,0|1,0,0]=3 14637 B13R0.179 CC(C)CCCNCCSCC(=O)O 1e1f0a6a9604bfcc65a97b3adab07bb5 [0,2,0,0,0,0|1,0,0]=3 14638 B13R0.179 CC(C)CCCOCCC#CC(=O)O 967fabd88d9cdf1803053a0a67dcf44e [0,2,0,0,0,0|0,0,2]=4 14639 B13R0.179 CC(C)CCCOCCCCC(=O)N 3cca459876a51b9ff1d80140a1f00622 [0,2,0,0,0,0|1,0,0]=3 14640 B13R0.179 CC(C)CCCOCCCCC(=O)O a1e66ff054f2143e5f523f5847297b71 [0,2,0,0,0,0|0,0,0]=2 14641 B13R0.179 CC(C)CCCOCCCC[N+](=O)[O-] ab7b12bc1cc00050816212b521a991ed [0,2,0,0,0,0|1,0,1]=4 14642 B13R0.179 CC(C)CCCOCCOCC(=O)N 78b1c08a715686b48dd83fbf82b023d1 [0,2,0,0,0,0|2,0,0]=4 14643 B13R0.179 CC(C)CCCOCCOCC(=O)O 37dedfb8d23cfac1f19c7294cec2f68d [0,2,0,0,0,0|1,0,0]=3 14644 B13R0.179 CC(C)CCCOCCSCC(=O)N 33c4dae01f6d658c656eaa1fc7568fd8 [0,2,0,0,0,0|2,0,0]=4 14645 B13R0.179 CC(C)CCNCCCCCC(=O)N ad14097e149dfee75e2e51c8719c5706 [0,2,0,0,0,0|1,0,0]=3 14646 B13R0.179 CC(C)CCNCCCCCC(=O)O 729724f3f72012fa3ef699368634b3da [0,2,0,0,0,0|0,0,0]=2 14647 B13R0.179 CC(C)CCNCCCOCC(=O)O e982a785e7ba8b6da77cec8c6c8f69e7 [0,2,0,0,0,0|1,0,0]=3 14648 B13R0.179 CC(C)CCNCCOCCC(=O)O 09b1d2c7a1db34fb2251ad9a79faeb7a [0,2,0,0,0,0|1,0,0]=3 14649 B13R0.179 CC(C)CCOCCCCCC(=O)N a32963d7ef40d3be81d9161325991caf [0,2,0,0,0,0|1,0,0]=3 14650 B13R0.179 CC(C)CCOCCCCCC(=O)O cba1eabd6d73c346d4c7a4c955ea69b0 [0,2,0,0,0,0|0,0,0]=2 14651 B13R0.179 CC(C)CCOCCCOCC(=O)O 874bf290034912bf4c3614dfe8c9c575 [0,2,0,0,0,0|1,0,0]=3 14652 B13R0.179 CC(C)CCOCCOCCC(=O)O d1b1167569294c682378828e5d22b707 [0,2,0,0,0,0|1,0,0]=3 14653 B13R0.179 CC(C)CNCCCCCCC(=O)O d47e1d8331fc2051a56cfedd3db0f322 [0,2,0,0,0,0|0,0,0]=2 14654 B13R0.179 CC(C)CNCCCSCCC(=O)N 553934c3db17b263da33fd38f14ca627 [0,2,0,0,0,0|2,0,0]=4 14655 B13R0.179 CC(C)CNCCSSCCC(=O)O 612703ebab24cb010b765b1021f200a7 [0,2,0,0,0,0|2,0,0]=4 14656 B13R0.179 CC(C)COCCCCCCC(=O)N ffc7f708edf62113c8b527fa253b7374 [0,2,0,0,0,0|1,0,0]=3 14657 B13R0.179 CC(C)COCCCCCCC(=O)O a43c0cc6c31bbb70a9aea9db9fca7d70 [0,2,0,0,0,0|0,0,0]=2 14658 B13R0.179 CC(C)COCCCNCCC(=O)N 2cf42e8173ef32c80aa80730a970c987 [0,2,0,0,0,0|2,0,0]=4 14659 B13R0.179 CC(C)COCCCNCCC(=O)O 7ab08dadab9234fe39b8fd6b67f17080 [0,2,0,0,0,0|1,0,0]=3 14660 B13R0.179 CC(C)COCCCOCCC(=O)N eecb2aebb27adeb915bf5e5971a0c5ad [0,2,0,0,0,0|2,0,0]=4 14661 B13R0.179 CC(C)COCCCOCCC(=O)O 4d744a43456e07452798a995b77f636d [0,2,0,0,0,0|1,0,0]=3 14662 B13R0.179 CC(C)COCCNCCCC(=O)N dd7ccd7e78f863601cfffcf65c0693d9 [0,2,0,0,0,0|2,0,0]=4 14663 B13R0.179 CC(C)COCCNCCCC(=O)O 0fbdf7185fd9d66ff72ff1675e7e2d86 [0,2,0,0,0,0|1,0,0]=3 14664 B13R0.179 CC(C)COCCOCCCC(=O)N 4a2b87efeffb4161c5fb60a65f9f3c85 [0,2,0,0,0,0|2,0,0]=4 14665 B13R0.179 CC(C)COCCOCCCC(=O)O f3d5ec0e5291a45d45908248f60a27fe [0,2,0,0,0,0|1,0,0]=3 14666 B13R0.179 CC(C)COCCSSCCC(=O)O a24e262772a57385e62f3e59551b00ae [0,2,0,0,0,0|2,0,0]=4 14667 B13R0.179 CC(C)CSCCCCNCC(=O)N 6e52db422b9bfaa50cd265e9ba5b078a [0,2,0,0,0,0|2,0,0]=4 14668 B13R0.179 CC(C)CSCCCCNCC(=O)O 9a5eff4050ab7140e8ead91b23e01fe1 [0,2,0,0,0,0|1,0,0]=3 14669 B13R0.179 CC(C)CSCCCOCCC(=O)N d3db175299c7e0d255836a5296504a51 [0,2,0,0,0,0|2,0,0]=4 14670 B13R0.179 CC(C)CSCCCOCCC(=O)O 95618c4c906465f1417a1de05b90b5a0 [0,2,0,0,0,0|1,0,0]=3 14671 B13R0.179 CC(C)CSCCOCCCC(=O)N fa8dedd6965bcb97c933cd8a8d548a8a [0,2,0,0,0,0|2,0,0]=4 14672 B13R0.179 CC(C)CSCCOCCCC(=O)O 44ff5cfca32482fef0f5534788056bcc [0,2,0,0,0,0|1,0,0]=3 14673 B13R0.179 CC(C)NCCCCCCCC(=O)O 102660ebd4c46a633e7cee4da3975718 [0,2,0,0,0,0|0,0,0]=2 14674 B13R0.179 CC(C)NCCOCCCCC(=O)O 2590e6df337fb688a8ce0f021b1b2297 [0,2,0,0,0,0|1,0,0]=3 14675 B13R0.179 CC(C)NCCOCCOCC(=O)O 6cba1d4f048da1f73c80418f9ea0374b [0,2,0,0,0,0|2,0,0]=4 14676 B13R0.179 CC(C)OCCCCCCCC(=O)N b4c8c5ff25758106580bc101b94d5baa [0,2,0,0,0,0|1,0,0]=3 14677 B13R0.179 CC(C)OCCCCCCCC(=O)O abd3339ecc6ef64d250891ee67b6775d [0,2,0,0,0,0|0,0,0]=2 14678 B13R0.179 CC(C)OCCCNCCCC(=O)N 6fff4d0c00905b8efe50d8e56587d9fa [0,2,0,0,0,0|2,0,0]=4 14679 B13R0.179 CC(C)OCCCOCCCC(=O)N f5254ab3beb69705cb35eb37e8ee6a51 [0,2,0,0,0,0|2,0,0]=4 14680 B13R0.179 CC(C)OCCNCCCCC(=O)N 27114bbcd09bee0d08b81669aa1bd7ad [0,2,0,0,0,0|2,0,0]=4 14681 B13R0.179 CC(C)OCCNCCCCC(=O)O 79a91b0568579f47ba8668c4d0b636c5 [0,2,0,0,0,0|1,0,0]=3 14682 B13R0.179 CC(C)OCCNCCOCC(=O)O e3b0d2d68ad866e27587ed5c52af9b04 [0,2,0,0,0,0|2,0,0]=4 14683 B13R0.179 CC(C)OCCNCCSCC(=O)O 2f1f588cbc3c10310d4e0b4d996ae680 [0,2,0,0,0,0|2,0,0]=4 14684 B13R0.179 CC(C)OCCOCCCCC(=O)N c5ad115e107dca4679ee974bee501e28 [0,2,0,0,0,0|2,0,0]=4 14685 B13R0.179 CC(C)OCCOCCCCC(=O)O aad787919360e446f0e1936e5657a82d [0,2,0,0,0,0|1,0,0]=3 14686 B13R0.179 CC(C)OCCOCCOCC(=O)O 6682eb2c3de77056a080d235feaa987e [0,2,0,0,0,0|2,0,0]=4 14687 B13R0.179 CC(C)OCNCCCCCC(=O)N 3691b624451689106ea5bf52c0413561 [0,2,0,0,0,0|2,0,0]=4 14688 B13R0.179 CC(C)OCNCCCCCC(=O)O 7bc63ed2ed72d8d86b0894986f4300aa [0,2,0,0,0,0|1,0,0]=3 14689 B13R0.179 CC(C)OCNCCOCCC(=O)O 4193114097e9ab8ca9566ae580f5ea09 [0,2,0,0,0,0|2,0,0]=4 14690 B13R0.179 CC(C)OCOCCCCCC(=O)N c337a48dee263368f2da39acf756d22a [0,2,0,0,0,0|2,0,0]=4 14691 B13R0.179 CC(C)OCOCCCCCC(=O)O cd109debf7ba1b8771942cd69ca9aa35 [0,2,0,0,0,0|1,0,0]=3 14692 B13R0.179 CC(C)OCOCCOCCC(=O)O a05d0698ad0954830bd29adf66a353db [0,2,0,0,0,0|2,0,0]=4 14693 B13R0.179 CC(C)SCCCNCCCC(=O)N c67f3cd601f69f610930a040baef2036 [0,2,0,0,0,0|2,0,0]=4 14694 B13R0.179 CC(C)SCCCNCCCC(=O)O 5ee425eb7ad4f16d84057a9cb43e03d5 [0,2,0,0,0,0|1,0,0]=3 14695 B13R0.179 CC(C)SCCCOCCCC(=O)N be440fe3cd69660a947ab7da03f945b6 [0,2,0,0,0,0|2,0,0]=4 14696 B13R0.179 CC(C)SCCNCCCCC(=O)N e51f1abdf246d0728ce1b77b0d309f51 [0,2,0,0,0,0|2,0,0]=4 14697 B13R0.179 CC(C)SCCNCCCCC(=O)O 46e3498f9889e90152a23b222f781fa0 [0,2,0,0,0,0|1,0,0]=3 14698 B13R0.179 CC(C)SCCNCCOCC(=O)O cb5f102a30eb1120891e67cbc17ef921 [0,2,0,0,0,0|2,0,0]=4 14699 B13R0.179 CC(C)SCCNCCSCC(=O)O 552989b31334f8421f3063eea2eeaab0 [0,2,0,0,0,0|2,0,0]=4 14700 B13R0.179 CC(C)SCCOCCCCC(=O)N 8a088334cbdab86d347d8fb79827d520 [0,2,0,0,0,0|2,0,0]=4 14701 B13R0.179 CC(C)SCCOCCCCC(=O)O 9b0dfed3f2ed789b20b1e234a33a9a45 [0,2,0,0,0,0|1,0,0]=3 14702 B13R0.179 CC(C)SCCOCCOCC(=O)O ccda004b7430f3a61008458a34219b11 [0,2,0,0,0,0|2,0,0]=4 14703 B13R0.179 CC(O)CCCCNC/C=C/C(=O)O b4258577c7fa32d3e2f961c6767e18b7 [0,2,0,0,0,0|0,0,2]=4 14704 B13R0.179 CC(O)CCCCNCC#CC(=O)O 6ae5509a8b590affb4e7378a7ce4648e [0,2,0,0,0,0|0,0,2]=4 14705 B13R0.179 CC(O)CCCCNCC=CC(=O)O 857f06a172cfc6af2c5ae55a0f81ac55 [0,2,0,0,0,0|0,0,2]=4 14706 B13R0.179 CC(O)CCCCNCCCC(=O)N d5fe96863b6e498e762e4ae854eee057 [0,2,0,0,0,0|1,0,0]=3 14707 B13R0.179 CC(O)CCCCNCCCS(=O)C fcfb0088f0e347302ff63c35678437d5 [0,2,0,0,0,0|2,0,0]=4 14708 B13R0.179 CC(O)CCCNCCCCC(=O)N a684b1c1a0ff86b2816fd3d576d60ad1 [0,2,0,0,0,0|1,0,0]=3 14709 B13R0.179 CC(O)CCCNCCCCC(=O)O dc45622694d5b41af8b38041c82a59a2 [0,2,0,0,0,0|0,0,0]=2 14710 B13R0.179 CC(O)CCCNCCOCC(=O)O 02c885166a62a8e6097a68bef323b0de [0,2,0,0,0,0|1,0,0]=3 14711 B13R0.179 CC(O)CCCNCCSCC(=O)O 1d0460e4051d71617b613db120eef34d [0,2,0,0,0,0|1,0,0]=3 14712 B13R0.179 CC(O)CCNCCCCCC(=O)N cf4d6305a27fac86ec41fec8634fdeca [0,2,0,0,0,0|1,0,0]=3 14713 B13R0.179 CC(O)CCNCCCCCC(=O)O bac108ec00ab50d4c4a248dd43b5277c [0,2,0,0,0,0|0,0,0]=2 14714 B13R0.179 CC(O)CCNCCCOCC(=O)O 5d9b96e2857d0f3e1b1590ce0d66aa12 [0,2,0,0,0,0|1,0,0]=3 14715 B13R0.179 CC(O)CCNCCOCCC(=O)O 2dfb8a9d97d166ac24e76caefcf7c38d [0,2,0,0,0,0|1,0,0]=3 14716 B13R0.179 CC(O)CNCCCCCCC(=O)O d3792fded51856a1e32ae2153b3df6ba [0,2,0,0,0,0|0,0,0]=2 14717 B13R0.179 CC(O)CNCCCSCCC(=O)N 1c4f8dca31fcad13d3800fd85a0e3f4d [0,2,0,0,0,0|2,0,0]=4 14718 B13R0.179 CC(O)CNCCSSCCC(=O)O 9d7ff34d89ff62a99d9f1bf7279eba28 [0,2,0,0,0,0|2,0,0]=4 14719 B13R0.179 CN(C)CCCCCCNCC(=O)N 6c3bb4de984bce6c3e1e75cf60cda838 [0,2,0,0,0,0|2,0,0]=4 14720 B13R0.179 CN(C)CCCCCCNCC(=O)O f31bec4c511538de2c72269b3636333c [0,2,0,0,0,0|1,0,0]=3 14721 B13R0.179 CN(C)CCCCCCOCC(=O)N ed8d07a7e20b2fbf9f42b8f1dea63e6a [0,2,0,0,0,0|2,0,0]=4 14722 B13R0.179 CN(C)CCCCCCOCC(=O)O fea6bcc979eb9ce2ca47bb6ade7b3546 [0,2,0,0,0,0|1,0,0]=3 14723 B13R0.179 CN(C)CCCCCNCCC(=O)N 8a0605b41078c0776d5ecd18b2ae7d00 [0,2,0,0,0,0|2,0,0]=4 14724 B13R0.179 CN(C)CCCCCNCCC(=O)O a53a232b262ed26cf4121bb488fe6306 [0,2,0,0,0,0|1,0,0]=3 14725 B13R0.179 CN(C)CCCCCOCCC(=O)N c0181e8e963e49b9bd31e2d0b482d0ae [0,2,0,0,0,0|2,0,0]=4 14726 B13R0.179 CN(C)CCCCCOCCC(=O)O 0215598314f8e2c6c401f3f2ce728ed7 [0,2,0,0,0,0|1,0,0]=3 14727 B13R0.179 CN(C)CCCCNCCCC(=O)N 52c1e572d0dcc39318f27461095a8b47 [0,2,0,0,0,0|2,0,0]=4 14728 B13R0.179 CN(C)CCCCNCCCC(=O)O b30afd25aa8f47dab6220f0ba1879a9c [0,2,0,0,0,0|1,0,0]=3 14729 B13R0.179 CN(C)CCCCOCCCC(=O)N de08d273d685a16c925c7b8a62b7f659 [0,2,0,0,0,0|2,0,0]=4 14730 B13R0.179 CN(C)CCCNCCCCC(=O)N 2c18ed872ff38ce0ffdfdf05d02391fd [0,2,0,0,0,0|2,0,0]=4 14731 B13R0.179 CN(C)CCCNCCCCC(=O)O 8624e7e36ddf625f0a0be1e925379dd1 [0,2,0,0,0,0|1,0,0]=3 14732 B13R0.179 CN(C)CCCNCCOCC(=O)O 27ebd200b8747d21fd936d7d861d2ead [0,2,0,0,0,0|2,0,0]=4 14733 B13R0.179 CN(C)CCCNCCSCC(=O)O 5ac2fd2c0a2d149ce68a1bb9072c3950 [0,2,0,0,0,0|2,0,0]=4 14734 B13R0.179 CN(C)CCCOCCCCC(=O)N e65b36fde967a2c25360b106a5b0e759 [0,2,0,0,0,0|2,0,0]=4 14735 B13R0.179 CN(C)CCCOCCCCC(=O)O 71e7e3a39b73aa817adb6433652580ad [0,2,0,0,0,0|1,0,0]=3 14736 B13R0.179 CN(C)CCCOCCOCC(=O)O 6dbcc61b1f8a7422deec49bb54dbf3c5 [0,2,0,0,0,0|2,0,0]=4 14737 B13R0.179 CN(C)CCNCCCCCC(=O)N 389e913583a5887ddc5e798ff0143ea2 [0,2,0,0,0,0|2,0,0]=4 14738 B13R0.179 CN(C)CCNCCCCCC(=O)O 6d7207214a8cc279cfd1293547d89dc0 [0,2,0,0,0,0|1,0,0]=3 14739 B13R0.179 CN(C)CCNCCCOCC(=O)O 2cc738bc44796f6cebc6924c07a28bce [0,2,0,0,0,0|2,0,0]=4 14740 B13R0.179 CN(C)CCNCCOCCC(=O)O 98e230b5e1613b073259c8f3bcf73229 [0,2,0,0,0,0|2,0,0]=4 14741 B13R0.179 CN(C)CCOCCCCCC(=O)N c67d1b84d69b588113a04ad248c0ee5d [0,2,0,0,0,0|2,0,0]=4 14742 B13R0.179 CN(C)CCOCCCCCC(=O)O a8403a0b178a1ebd047943d0c292d4cd [0,2,0,0,0,0|1,0,0]=3 14743 B13R0.179 CN(C)CCOCCCOCC(=O)O 4b58538117ff515a2d99a0dde9d67b94 [0,2,0,0,0,0|2,0,0]=4 14744 B13R0.179 CN(C)CCOCCNCCC(=O)O 4b4850759cfab80edc7e6f0f75c14046 [0,2,0,0,0,0|2,0,0]=4 14745 B13R0.179 CN(C)CCOCCOCCC(=O)O 1b315803436def171961fbbfaa6367c0 [0,2,0,0,0,0|2,0,0]=4 14746 B13R0.179 CN(C)CNCCCCCCC(=O)O c00c0704c04fe3650923e29fee5fd38d [0,2,0,0,0,0|1,0,0]=3 14747 B13R0.179 CN(C)COCCCCCCC(=O)N f4bc4399281255519f84cf56108fcd2e [0,2,0,0,0,0|2,0,0]=4 14748 B13R0.179 CN(C)COCCCCCCC(=O)O 1075fd1050a405e347cc81e0b47b7ea8 [0,2,0,0,0,0|1,0,0]=3 14749 B13R0.179 CS(=O)CCCNCCCCC(=O)N b2ce057c9d3d7147acabfa6ceac37cf2 [0,2,0,0,0,0|2,0,0]=4 14750 B13R0.179 CS(=O)CCNCCCCCC(=O)N 69422fc6812e7e164820d0c1b053280a [0,2,0,0,0,0|2,0,0]=4 14751 B13R0.179 CS(=O)CCNCCCCCC(=O)O 1de7c545594274ad4bb4d8797cdde9c4 [0,2,0,0,0,0|1,0,0]=3 14752 B13R0.179 CS(=O)CCNCCOCCC(=O)O 20e5a2763f949485d207e8d3982d6f21 [0,2,0,0,0,0|2,0,0]=4 14753 B13R0.179 CS(=O)CCOCCCCCC(=O)N 04cd1de8b0761d013e2aba580436011a [0,2,0,0,0,0|2,0,0]=4 14754 B13R0.179 CS(=O)CCOCCCCCC(=O)O f3cd47a6825b7c74f376b027ec2b1dfb [0,2,0,0,0,0|1,0,0]=3 14755 B13R0.179 CS(=O)CCOCCOCCC(=O)O 144d02fc8c9b56b6f5c019b7adc2d6a7 [0,2,0,0,0,0|2,0,0]=4 14756 B13R0.179 C[C@@H](O)CCCCNC/C=C/C(=O)O c453062ef0f6d8847e1fb40c71d09c4c [0,2,0,0,0,0|0,0,2]=4 14757 B13R0.179 C[C@@H](O)CCCCNCC#CC(=O)O b5bf148a8d47aebedc9f48cc6f6f5b06 [0,2,0,0,0,0|0,0,2]=4 14758 B13R0.179 C[C@@H](O)CCCCNCC=CC(=O)O 2cc671a0eca192c959410ea0af9b4e06 [0,2,0,0,0,0|0,0,2]=4 14759 B13R0.179 C[C@@H](O)CCCCNCCCC(=O)N 814208abda4fd293423cb651dc41505e [0,2,0,0,0,0|1,0,0]=3 14760 B13R0.179 C[C@@H](O)CCCCNCCCS(=O)C 16813dc2909bc899d25c85628c6f2e89 [0,2,0,0,0,0|2,0,0]=4 14761 B13R0.179 C[C@@H](O)CCNCCCCCC(=O)N 02e973083b10db7ffd8296241a4f13eb [0,2,0,0,0,0|1,0,0]=3 14762 B13R0.179 C[C@@H](O)CCNCCCOCC(=O)O fe0615f4913884f3dcb5c0a855fca053 [0,2,0,0,0,0|1,0,0]=3 14763 B13R0.179 C[C@@H](O)CCNCCOCCC(=O)O e714fc97b97073687c7efa876429182a [0,2,0,0,0,0|1,0,0]=3 14764 B13R0.179 C[C@@H](O)CNCCCCCCC(=O)O 6363b4ef0c13454441903321553a3c09 [0,2,0,0,0,0|0,0,0]=2 14765 B13R0.179 C[C@@H](O)CNCCCSCCC(=O)N 767201f2d5be3af89c0285c65a0c4af0 [0,2,0,0,0,0|2,0,0]=4 14766 B13R0.179 C[C@H](O)CCNCCCCCC(=O)N afa7150f11db4916827d5e1bf7d3fa21 [0,2,0,0,0,0|1,0,0]=3 14767 B13R0.179 C[C@H](O)CCNCCCOCC(=O)O 96b383d1287dc15390af5d304b12ae69 [0,2,0,0,0,0|1,0,0]=3 14768 B13R0.179 C[C@H](O)CCNCCOCCC(=O)O e1bb72113cfb5a6b44378f1b8df852a5 [0,2,0,0,0,0|1,0,0]=3 14769 B13R0.179 C[C@H](O)CNCCCCCCC(=O)O 78710d06e18008dbc445f874aa57e851 [0,2,0,0,0,0|0,0,0]=2 14770 B13R0.179 C[C@H](O)CNCCCSCCC(=O)N 4a83a1bad3f6bd6a0a7561b1683a06f8 [0,2,0,0,0,0|2,0,0]=4 14771 B13R0.179 C[C@H](O)CNCCSSCCC(=O)O 4aa92609c6a7fc0f8f47baf6b4e1aace [0,2,0,0,0,0|2,0,0]=4 14772 B13R0.179 NC(=O)CCCCCCOCC(=O)O b58569359d97eac150f77285f157e307 [0,2,0,0,0,0|1,0,1]=4 14773 B13R0.179 NC(=O)CCCCCCOCC(F)F 063bbc6d9c5906229c92eadba618b691 [0,2,0,0,0,0|2,0,0]=4 14774 B13R0.179 NC(=O)CCCCCNCCC(=O)O 8af6e46a0998687aad31dff24b3ec0e6 [0,2,0,0,0,0|1,0,1]=4 14775 B13R0.179 NC(=O)CCCCCNCCC(F)F b1576b5dee2a782e3379c1b6799044f8 [0,2,0,0,0,0|2,0,0]=4 14776 B13R0.179 NC(=O)CCCCCOCCC(=O)O 7eb0b19ac8824400240c52e46e2f720e [0,2,0,0,0,0|1,0,1]=4 14777 B13R0.179 NC(=O)CCCCCOCCC(F)F d4cef278be45946e12903cca0408e6e2 [0,2,0,0,0,0|2,0,0]=4 14778 B13R0.179 NC(=O)CCCNCCCCC(=O)O 440d6798440743c68352fdf4424a4f86 [0,2,0,0,0,0|1,0,1]=4 14779 B13R0.179 NC(=O)CCCNCCCCC(F)F 8caba14bc0fe857368bbe99709e35f4c [0,2,0,0,0,0|2,0,0]=4 14780 B13R0.179 NC(=O)CCNCCCCCC(=O)O 6a3735394fe35b0e5d56a65670661250 [0,2,0,0,0,0|1,0,1]=4 14781 B13R0.179 NC(=O)CCNCCCCCC(F)F af39919b46f81f9932c6839004baaee4 [0,2,0,0,0,0|2,0,0]=4 14782 B13R0.179 NC(=O)CCOCCCCCC(=O)O 769efc0209d29b54fd95004d1aeb25d5 [0,2,0,0,0,0|1,0,1]=4 14783 B13R0.179 NC(=O)CCOCCCCCC(F)F c74cba4f4bdd55f6ed0bedc70ed00c4e [0,2,0,0,0,0|2,0,0]=4 14784 B13R0.179 NC(=O)CNCCCCCCC(=O)O 411a4846aba4a57f92ada6f987e1e161 [0,2,0,0,0,0|1,0,1]=4 14785 B13R0.179 NC(=O)COCCCCCCC(=O)O cdca874796f6f8a9fc7c4945b324cde9 [0,2,0,0,0,0|1,0,1]=4 14786 B13R0.179 NC(=S)CCNCCCCCC(=O)O 2dd6d4f51351dcf0ad352cd5f178142f [0,2,0,0,0,0|1,0,1]=4 14787 B13R0.179 O=C(O)CCCCCCNCC(=O)O 6baa89c473b47995faea3fe3b8dd8684 [0,2,0,0,0,0|1,0,1]=4 14788 B13R0.179 O=C(O)CCCCCCNCC(F)F f3eb423a831ac64981636b3a9de85c37 [0,2,0,0,0,0|1,0,0]=3 14789 B13R0.179 O=C(O)CCCCCCNC[N+](=O)[O-] 309763131c21054ec06c061f7e491cb9 [0,2,0,0,0,0|2,0,0]=4 14790 B13R0.179 O=C(O)CCCCCCOCC(=O)O f250971fa333b14c5ec1343efe63caf0 [0,2,0,0,0,0|1,0,1]=4 14791 B13R0.179 O=C(O)CCCCCCOCC(F)F 0dc0b0006144c39f4f26b98bebe9ca91 [0,2,0,0,0,0|1,0,0]=3 14792 B13R0.179 O=C(O)CCCCCCOC[N+](=O)[O-] 4b09e209e9df83693623f063b78494d3 [0,2,0,0,0,0|2,0,0]=4 14793 B13R0.179 O=C(O)CCCCCNCCC(=O)O c4ff79311ee23cce2a8c335b4e2a13da [0,2,0,0,0,0|1,0,1]=4 14794 B13R0.179 O=C(O)CCCCCNCCC(F)F 6861f4f57e69e47e34b284eef28320e6 [0,2,0,0,0,0|1,0,0]=3 14795 B13R0.179 O=C(O)CCCCCOCCC(=O)O 818a1afb4275c65727334623eb6103e0 [0,2,0,0,0,0|1,0,1]=4 14796 B13R0.179 O=C(O)CCCCCOCCC(F)F 349f3a55ce25e8c36f8dfe2a74c03002 [0,2,0,0,0,0|1,0,0]=3 14797 B13R0.179 O=C(O)CCCCCOCC[N+](=O)[O-] f7c422b39606662a7ed7ef92121aebde [0,2,0,0,0,0|2,0,0]=4 14798 B13R0.179 O=C(O)CCCCNCCCC(=O)O d529e762bd3d7d08ec50763e1248fe74 [0,2,0,0,0,0|1,0,1]=4 14799 B13R0.179 O=C(O)CCCCNCCOC(F)F 6f3f716092be44b7f42870c05dcd07a2 [0,2,0,0,0,0|2,0,0]=4 14800 B13R0.179 O=C(O)CCCCOCCCC(=O)O 1527dc8dac6597283982c9e68d88b590 [0,2,0,0,0,0|1,0,1]=4 14801 B13R0.179 O=C(O)CCCCOCCC[N+](=O)[O-] 77e6d150e8cba1051af54692fbb62bd7 [0,2,0,0,0,0|2,0,0]=4 14802 B13R0.179 O=C(O)CCCCOCCOC(F)F df2c616aea87e9f3d75854a09c333e15 [0,2,0,0,0,0|2,0,0]=4 14803 B13R0.179 O=C(O)CCCNCCCCC(F)F 04a40c42379fa3fca45861a09a511f32 [0,2,0,0,0,0|1,0,0]=3 14804 B13R0.179 O=C(O)CCCNCCOCC(F)F de6e074fe6e4317657f19444a3fe34cc [0,2,0,0,0,0|2,0,0]=4 14805 B13R0.179 O=C(O)CCCOCCCC[N+](=O)[O-] 00f446600d456629ecb9a07905afe675 [0,2,0,0,0,0|2,0,0]=4 14806 B13R0.179 O=C(O)CCCOCCOCC(F)F 43f75bc7bd68fc5fdb07513ed07529c5 [0,2,0,0,0,0|2,0,0]=4 14807 B13R0.179 O=C(O)CCNCCCCCC(F)F 87781cb1d7ab1506ad8fcabaaa1b7add [0,2,0,0,0,0|1,0,0]=3 14808 B13R0.179 O=C(O)CCNCCCCOC(F)F 8998535f558721718238117cbafe1a97 [0,2,0,0,0,0|2,0,0]=4 14809 B13R0.179 O=C(O)CCOCCCCCC(F)F e50ac264907f618923a2b50876f6df9a [0,2,0,0,0,0|1,0,0]=3 14810 B13R0.179 O=C(O)CCOCCNCCC(F)F c4c98215db6597651c2e2fcc7e2f270a [0,2,0,0,0,0|2,0,0]=4 14811 B13R0.179 O=C(O)CCOCCOCCC(F)F 7f69dee77fe149dbeeb070c4f99ebeb5 [0,2,0,0,0,0|2,0,0]=4 14812 B13R0.179 O=C(O)COCCCNCCC(F)F f9bd397db35fffd38ac5d125a8eeaa3b [0,2,0,0,0,0|2,0,0]=4 14813 B13R0.179 O=C(O)COCCCOCCC(F)F 84eecd23f705706e93b31a1a81215132 [0,2,0,0,0,0|2,0,0]=4 14814 B13R0.179 O=S(O)CCNCCCCCC(F)F f007102333f5992d7729c9472d299070 [0,2,0,0,0,0|2,0,0]=4 14815 B13R0.202 C#CC(=O)NCCCCCCC(C)C 6a5ac94ef9b46d098af567442d4ed733 [0,2,0,0,0,0|2,0,0]=4 14816 B13R0.202 C#CC(C)NCCCCCCC(=O)O c59daf645c064189cf1e21e8ac42b14a [0,2,0,0,0,0|1,0,0]=3 14817 B13R0.202 C#CC(C)OCCCCCCC(=O)N 6ccf12058367fccdf0515f4dd5a96379 [0,2,0,0,0,0|2,0,0]=4 14818 B13R0.202 C#CC(O)CCCCCNCC(=O)O 03f9f981741f9a267c52b00dbd43e595 [0,2,0,0,0,0|0,0,2]=4 14819 B13R0.202 C#C[C@@H](C)NCCCCCCC(=O)O 2b8e5efde70eedc3d2f9939cbd2dd554 [0,2,0,0,0,0|1,0,0]=3 14820 B13R0.202 C#C[C@H](C)NCCCCCCC(=O)O 53b6c835ad58d7bf073b7f349b53fbb9 [0,2,0,0,0,0|1,0,0]=3 14821 B13R0.202 C/C(=C\I)/COCCCCCC(=O)O 0f2a2a3ab5c0f8b236668d8fa6b985e6 [0,2,0,0,0,0|1,0,1]=4 14822 B13R0.202 C=C(Br)COCCCCCC(C)CC cd2ca076c759308eb2b01b287e9b3f52 [0,2,0,0,0,0|2,0,0]=4 14823 B13R0.202 C=C(Br)COCCCCC[C@@H](C)CC c66e131fec1e0b96adfb089041bc4bea [0,2,0,0,0,0|2,0,0]=4 14824 B13R0.202 C=C(C)CCCNCCCC(=O)OC 31457cc117f34daa9f16eb798c0c17b1 [0,2,0,0,0,0|1,0,1]=4 14825 B13R0.202 C=C(C)CCCOCCCC(=O)OC 06c37d0faa0da090f013e56e2a75f2d7 [0,2,0,0,0,0|1,0,1]=4 14826 B13R0.202 C=C(C)CCCOCCCC(C)CC 21db222bf1adf1775ae3259b718a64ed [0,2,0,0,0,0|2,0,0]=4 14827 B13R0.202 C=C(C)CCCOCCC[C@@H](C)CC f3149533e81ae7a8f091ee4e620fef7d [0,2,0,0,0,0|2,0,0]=4 14828 B13R0.202 C=C(C)CCNCCCCC(=O)OC 085a8ba60952cc75d88503fce66373b6 [0,2,0,0,0,0|1,0,1]=4 14829 B13R0.202 C=C(C)CCOCCCCC(=O)OC 0dbfd93babd720957f28c10d8ae0b3f9 [0,2,0,0,0,0|1,0,1]=4 14830 B13R0.202 C=C(C)CCOCCCCC(C)CC 7fc3b9e85f38190557c728f5dcf35ebf [0,2,0,0,0,0|2,0,0]=4 14831 B13R0.202 C=C(C)CCOCCCC[C@@H](C)CC c92b00f1ad33229d24ce95825b46ad6c [0,2,0,0,0,0|2,0,0]=4 14832 B13R0.202 C=C(C)CNCCCCCC(=O)OC 64a3ef9153a22b2686707fb8d366a1c1 [0,2,0,0,0,0|1,0,1]=4 14833 B13R0.202 C=C(C)COCCCCCC(=O)OC 57c17259f19ea304d764e5619ae5273d [0,2,0,0,0,0|1,0,1]=4 14834 B13R0.202 C=C(C)COCCCCCC(C)CC bc25720c33947123601a70e7c8ddcb13 [0,2,0,0,0,0|2,0,0]=4 14835 B13R0.202 C=C(C)COCCCCC[C@@H](C)CC 28a6390c22596dfb250221b98f65905e [0,2,0,0,0,0|2,0,0]=4 14836 B13R0.202 C=C(CC)CNCCCCCC(=O)N c89e2b9cfe9704429aead97f938d107e [0,2,0,0,0,0|1,0,1]=4 14837 B13R0.202 C=C(CC)CNCCCCCC(=O)O ec4f4c22514d1f43873b3b0b3b341f9e [0,2,0,0,0,0|0,0,1]=3 14838 B13R0.202 C=C(CC)CNCCOCCC(=O)O 6acdbf5ef915f599921c8c7167ede1c4 [0,2,0,0,0,0|1,0,1]=4 14839 B13R0.202 C=C(CC)COCCCCCC(=O)N f96356554f87da1d3098239980d2206a [0,2,0,0,0,0|1,0,1]=4 14840 B13R0.202 C=C(CC)COCCCCCC(=O)O 9801c7c88b1aa80db46e937c477737bd [0,2,0,0,0,0|0,0,1]=3 14841 B13R0.202 C=C(CC)COCCOCCC(=O)O 16a15b0252e26a46d304c99f4aa681dd [0,2,0,0,0,0|1,0,1]=4 14842 B13R0.202 C=C(CNCCCCCC(=O)O)OC 7ed5dc15eb3688226cfa709fa8aa82e8 [0,2,0,0,0,0|1,0,1]=4 14843 B13R0.202 C=C(CNCCCCCC(C)C)OC 693405ab2193e620f7db41392fbe387f [0,2,0,0,0,0|2,0,0]=4 14844 B13R0.202 C=C(CO)CNCCCCCC(=O)O e2bb0f862b111a0bed422285b81b2c43 [0,2,0,0,0,0|1,0,1]=4 14845 B13R0.202 C=C(CO)CNCCCCCC(C)C 9bfaaee8a07fb776c79853e00294c5e4 [0,2,0,0,0,0|2,0,0]=4 14846 B13R0.202 C=C(COCCCCCC(=O)O)OC b7037cda379b72ff5ee6ac2eb58e842b [0,2,0,0,0,0|1,0,1]=4 14847 B13R0.202 C=C(COCCCCCC(C)C)OC aa7839a7e39fdc48849664a231d9824f [0,2,0,0,0,0|2,0,0]=4 14848 B13R0.202 C=C(Cl)COCCCCCC(C)CC 8509dc2af82f0709b8eba2b60ba3b36a [0,2,0,0,0,0|2,0,0]=4 14849 B13R0.202 C=C(Cl)COCCCCC[C@@H](C)CC b26e50ed65363302297c24cea34a3404 [0,2,0,0,0,0|2,0,0]=4 14850 B13R0.202 C=C(F)COCCCCCC(C)CC 19c652a1a4cc6139a6e513251e251c68 [0,2,0,0,0,0|2,0,0]=4 14851 B13R0.202 C=C(F)COCCCCC[C@@H](C)CC 5d850bdd5403217c3757d6eb3378d3c9 [0,2,0,0,0,0|2,0,0]=4 14852 B13R0.202 C=CC(=O)CCCNCCCC(C)C 2693c52bca349d91e0707c64dfc3f3f6 [0,2,0,0,0,0|2,0,0]=4 14853 B13R0.202 C=CC(=O)CCCOCCCC(C)C 1cfdd96ed353759d5b403a1daaf84d4a [0,2,0,0,0,0|2,0,0]=4 14854 B13R0.202 C=CC(=O)NCCCCCCC(C)C 1a195252a2071797f197adc80375b863 [0,2,0,0,0,0|2,0,0]=4 14855 B13R0.202 C=CC(C)COCCCCCC(=O)C 849f17c7742d87ee59a1c40b2720a93b [0,2,0,0,0,0|2,0,0]=4 14856 B13R0.202 C=CC(C)COCCCCCC(=O)N 0f7fce7384a09bbe684de642c648c1be [0,2,0,0,0,0|2,0,0]=4 14857 B13R0.202 C=CC(C)COCCCCCC(=O)O 3fcb8ffc1eec79c5b284a3177ef10575 [0,2,0,0,0,0|1,0,0]=3 14858 B13R0.202 C=CC(C)COCCCOCC(=O)O e17066ff0a47d559c27a59c6fdf07397 [0,2,0,0,0,0|2,0,0]=4 14859 B13R0.202 C=CC(C)COCCOCCC(=O)O 02db6a9ea5a6d2a9a050cdfdcf2e0159 [0,2,0,0,0,0|2,0,0]=4 14860 B13R0.202 C=CC(C)NCCCCCCC(=O)O 9c5e4cfe02d729a9ce8265883d8d340c [0,2,0,0,0,0|1,0,0]=3 14861 B13R0.202 C=CC(C)OCCCCCCC(=O)N 9397759466e7b912244d9d058cc1bf88 [0,2,0,0,0,0|2,0,0]=4 14862 B13R0.202 C=CC(C)OCCCCCCC(=O)O 23c21a0b60a50cca702e4553d1852941 [0,2,0,0,0,0|1,0,0]=3 14863 B13R0.202 C=CC(O)CNCCCCCC(=O)O bd7f6f543631989408fdbec666daceaa [0,2,0,0,0,0|0,0,2]=4 14864 B13R0.202 C=C[C@H](C)OCCCCCCC(=O)O c5ee73a0e47c79ff26cda2ab42f9c2f4 [0,2,0,0,0,0|1,0,0]=3 14865 B13R0.202 CC(=CI)COCCCCCC(=O)O 616a46dd12a863a4ade9f46b8b058f46 [0,2,0,0,0,0|1,0,1]=4 14866 B13R0.202 CC(=O)CCCCCNCC(=O)NO a1fafe9da221e6d40f9d6112b807e27b [0,2,0,0,0,0|1,0,1]=4 14867 B13R0.202 CC(=O)CCCCCNCC(Br)CBr ea1323aaaadbae203d32ddb16902bf1f [0,2,0,0,0,0|2,0,0]=4 14868 B13R0.202 CC(=O)CCCCCNCC(C)C#N 7bbdb0446171f03036b6da5b0664f2f2 [0,2,0,0,0,0|2,0,0]=4 14869 B13R0.202 CC(=O)CCCCCNCC(C)CO 536f20657692017cee2ae4add9725eeb [0,2,0,0,0,0|2,0,0]=4 14870 B13R0.202 CC(=O)CCCCCNCC(F)CO bed8ed05fed41abff583faa56dd8af46 [0,2,0,0,0,0|2,0,0]=4 14871 B13R0.202 CC(=O)CCCCCNCC(O)CO 2d7ce0b2fb078457c6c76e3a52e12c23 [0,2,0,0,0,0|2,0,0]=4 14872 B13R0.202 CC(=O)CCCCCNC[C@@H](F)CO 48ce86b09279003bd8b5423de17d7c35 [0,2,0,0,0,0|2,0,0]=4 14873 B13R0.202 CC(=O)CCCCCNC[C@@H](O)CO 28337c33ff2a4562ef925f1309d7fe47 [0,2,0,0,0,0|2,0,0]=4 14874 B13R0.202 CC(=O)CCCCCNC[C@H](C)CO 3da34fb727ae0ccc26cb9b768594627a [0,2,0,0,0,0|2,0,0]=4 14875 B13R0.202 CC(=O)CCCCCNC[C@H](F)CO 81337c8a0ef182012408b26b753b43fe [0,2,0,0,0,0|2,0,0]=4 14876 B13R0.202 CC(=O)CCCCCNC[C@H](O)CO ad861973ea2b34a1069b0ee11130ebe2 [0,2,0,0,0,0|2,0,0]=4 14877 B13R0.202 CC(=O)CCCCCOCC(Br)CBr 1516d10d38683c603f15daf38612f24e [0,2,0,0,0,0|2,0,0]=4 14878 B13R0.202 CC(=O)CCCCCOCC(C)C#N 586e627569d4ef00d041b4bf9f0a01af [0,2,0,0,0,0|2,0,0]=4 14879 B13R0.202 CC(=O)CCCCCOCC(Cl)CCl bf12900a4a35ca818a2047d6af6515a7 [0,2,0,0,0,0|2,0,0]=4 14880 B13R0.202 CC(=O)CCCCCOCC(S)CS 91cb702c954e37671dce980457921f47 [0,2,0,0,0,0|2,0,0]=4 14881 B13R0.202 CC(=O)CCCCNCCC(=O)NO d3dfbb57d87c66747164e2ac88e771b4 [0,2,0,0,0,0|1,0,1]=4 14882 B13R0.202 CC(=O)CCCCNCCC(C)CO 57f1a85ba7d0be7f9306acc0c2a3cd7e [0,2,0,0,0,0|2,0,0]=4 14883 B13R0.202 CC(=O)CCCCNCCC(O)CO 137cf00c11154fb9b571c1d5880ff04f [0,2,0,0,0,0|2,0,0]=4 14884 B13R0.202 CC(=O)CCCCNCC[C@@H](C)CO c23f8ce375d16b347d0d3318490134cd [0,2,0,0,0,0|2,0,0]=4 14885 B13R0.202 CC(=O)CCCNCCCC(C)CO 3dc93947fe5314f31afe2ca7864b8ce7 [0,2,0,0,0,0|2,0,0]=4 14886 B13R0.202 CC(C#N)CNCCCCCC(=O)N 910f3d1f83ebd8ebfb3d7219323722a4 [0,2,0,0,0,0|2,0,0]=4 14887 B13R0.202 CC(C#N)CNCCCCCC(=O)O bfc31333d78cd74f0ffdc93ff62500a8 [0,2,0,0,0,0|1,0,0]=3 14888 B13R0.202 CC(C#N)CNCCCOCC(=O)O 38153c3a98f9b61c4e9253dfd04c6df8 [0,2,0,0,0,0|2,0,0]=4 14889 B13R0.202 CC(C#N)CNCCOCCC(=O)O eb7d1690b1b5c7fa2a28f77cae84c76c [0,2,0,0,0,0|2,0,0]=4 14890 B13R0.202 CC(C#N)COCCCCCC(=O)N 9e5acf2ab8dc5682f295df0408552cf9 [0,2,0,0,0,0|2,0,0]=4 14891 B13R0.202 CC(C#N)COCCCCCC(=O)O 97f75fad2a482aef900a3408f1a12178 [0,2,0,0,0,0|1,0,0]=3 14892 B13R0.202 CC(C#N)COCCCOCC(=O)O da784b7af12e865e4edafbbd38db6883 [0,2,0,0,0,0|2,0,0]=4 14893 B13R0.202 CC(C#N)COCCOCCC(=O)O 1b053c7863100945bfccdb72e2011bd5 [0,2,0,0,0,0|2,0,0]=4 14894 B13R0.202 CC(C#N)NCCCCCCC(=O)O 6622dd30d597f409667de84e0e354d8f [0,2,0,0,0,0|1,0,0]=3 14895 B13R0.202 CC(C#N)OCCNCCCC(=O)O 25adf48c8951e90cddaa9dc144263958 [0,2,0,0,0,0|2,0,0]=4 14896 B13R0.202 CC(C)CCCCCCNC(=O)C=O 97bad409d6a485650b56b95cb328633f [0,2,0,0,0,0|1,0,1]=4 14897 B13R0.202 CC(C)CCCCCCNC(=O)CF 61b8e7141f45c2baa7307632fd39f03a [0,2,0,0,0,0|2,0,0]=4 14898 B13R0.202 CC(C)CCCCCCNC(=O)CO 4e8dec70d0d70f70b35b6b91cd451d22 [0,2,0,0,0,0|1,0,0]=3 14899 B13R0.202 CC(C)CCCCCCNC(=O)CS 18a9feb89416c058bf08834acd8f1900 [0,2,0,0,0,0|1,1,0]=4 14900 B13R0.202 CC(C)CCCCCNCC(=O)CO 387e4224dd6810825baa395ef565d27a [0,2,0,0,0,0|1,0,0]=3 14901 B13R0.202 CC(C)CCCCCNCC(=O)NO de9d45af71d0d6dfb3a1394107614af1 [0,2,0,0,0,0|1,0,0]=3 14902 B13R0.202 CC(C)CCCCNCCC(=O)NO 94102c7f992612418981fb69fcc942b6 [0,2,0,0,0,0|1,0,0]=3 14903 B13R0.202 CC(C)COCCCNCC(=O)CO 44b378de72f1d0dd4f75c2d34cd4e04b [0,2,0,0,0,0|2,0,0]=4 14904 B13R0.202 CC(C)COCCNCCC(=O)NO 8588a7128abf9c6986504ef3f02be65e [0,2,0,0,0,0|2,0,0]=4 14905 B13R0.202 CC(C)CSCCCCNC(=O)CO 2c1e54a0363770d71298fe94f7d7a637 [0,2,0,0,0,0|2,0,0]=4 14906 B13R0.202 CC(C=O)NCCCCCCC(=O)O 326e6997bfad66a3cdd6b66afea19f15 [0,2,0,0,0,0|1,0,0]=3 14907 B13R0.202 CC(C=O)OCCCCCCC(=O)N cd4f780f7e69953bb6b28bc36c795ef6 [0,2,0,0,0,0|2,0,0]=4 14908 B13R0.202 CC(C=O)OCCCCCCC(=O)O ede3603e966459649133eeeed4df535a [0,2,0,0,0,0|1,0,0]=3 14909 B13R0.202 CC(CO)CCCNCCCC(=O)N 30ff485a3f71a4696b31192f491e8db8 [0,2,0,0,0,0|2,0,0]=4 14910 B13R0.202 CC(CO)CCCNCCCC(=O)O a95bca896d6c64b0c3d678750726d5f5 [0,2,0,0,0,0|1,0,0]=3 14911 B13R0.202 CC(CO)CCNCCCCC(=O)N 654845fed1669a73fe75d710f37b6803 [0,2,0,0,0,0|2,0,0]=4 14912 B13R0.202 CC(CO)CCNCCCCC(=O)O 146be4dc1dfebca9b6508f074f6409d6 [0,2,0,0,0,0|1,0,0]=3 14913 B13R0.202 CC(CO)CCNCCOCC(=O)O 83caa48789706b378d51e60f162ba08b [0,2,0,0,0,0|2,0,0]=4 14914 B13R0.202 CC(CO)CCNCCSCC(=O)O 6f7aea93844fd1811b3bf627755b9e3e [0,2,0,0,0,0|2,0,0]=4 14915 B13R0.202 CC(CO)CNCCCCCC(=O)N 9d3de2cdc7853512317cf7f3b2099e5f [0,2,0,0,0,0|2,0,0]=4 14916 B13R0.202 CC(CO)CNCCCCCC(=O)O 7dec7079f222beefa8702aea100d9371 [0,2,0,0,0,0|1,0,0]=3 14917 B13R0.202 CC(CO)CNCCCOCC(=O)O 95c0cd159c8f5a2dc4feeb2bf7979c47 [0,2,0,0,0,0|2,0,0]=4 14918 B13R0.202 CC(CO)CNCCOCCC(=O)O 7828e76a6b305b64b7f53682a5ba4be2 [0,2,0,0,0,0|2,0,0]=4 14919 B13R0.202 CC(CO)NCCCCCCC(=O)O 74ec485fbc8fb44248858acb49d839a0 [0,2,0,0,0,0|1,0,0]=3 14920 B13R0.202 CC(O)CCCCNCCC(=O)NO efa94cae967e0e9a0be027a0f1945db4 [0,2,0,0,0,0|1,0,0]=3 14921 B13R0.202 CCC(=O)CCCCNCCC(=O)N 910c679a2a89b19109089648251a0cb1 [0,2,0,0,0,0|1,0,1]=4 14922 B13R0.202 CCC(=O)CCCCNCCC(=O)O 6aca7723fcf779eb6e834ed72876edea [0,2,0,0,0,0|0,0,1]=3 14923 B13R0.202 CCC(=O)CCCCNCCC(C)C 7590efba4e00804b3653bc56a63f5218 [0,2,0,0,0,0|2,0,0]=4 14924 B13R0.202 CCC(=O)CCCCNCCC(C)O 2a7a3218a7a38467a58b67bce5660c00 [0,2,0,0,0,0|2,0,0]=4 14925 B13R0.202 CCC(=O)CCCCNCCS(=O)O 442f48529431f538174d4cb4e923fd3d [0,2,0,0,0,0|1,0,1]=4 14926 B13R0.202 CCC(=O)CCCCNCC[C@@H](C)O 0f0e4818d5e1ddd49fef4e714d7089ae [0,2,0,0,0,0|2,0,0]=4 14927 B13R0.202 CCC(=O)CCCCNCC[C@H](C)O aa74ec3c1c711f181334a5c84bf073fc [0,2,0,0,0,0|2,0,0]=4 14928 B13R0.202 CCC(=O)CCCCOCCC(=O)C 3420f04e17fd20affade95217fba623f [0,2,0,0,0,0|1,0,1]=4 14929 B13R0.202 CCC(=O)CCCCOCCC(=O)N 8a5aca09f21a4b5d175bd6652c559c3d [0,2,0,0,0,0|1,0,1]=4 14930 B13R0.202 CCC(=O)CCCCOCCC(=O)O e812736e025510eeeebf9d2b75af4ccc [0,2,0,0,0,0|0,0,1]=3 14931 B13R0.202 CCC(=O)CCCCOCCC(C)C eeedc5325e55bf9094b675d25c097e64 [0,2,0,0,0,0|2,0,0]=4 14932 B13R0.202 CCC(=O)CNCCCCCC(=O)N c09eba8955e648641816ea4c4040e336 [0,2,0,0,0,0|1,0,1]=4 14933 B13R0.202 CCC(=O)CNCCCCCC(=O)O ddb454ee7505ffe7bf0300af234772dc [0,2,0,0,0,0|0,0,1]=3 14934 B13R0.202 CCC(=O)CNCCCCCC(C)C 99b4c6afc62c4d394eb4263b12fb7e87 [0,2,0,0,0,0|2,0,0]=4 14935 B13R0.202 CCC(=O)CNCCOCCC(=O)O 14068e6f3e1ec86050a4b7105e70c54a [0,2,0,0,0,0|1,0,1]=4 14936 B13R0.202 CCC(=O)COCCCCCC(=O)C 214c68f702080ea2955772bd78ed57c7 [0,2,0,0,0,0|1,0,1]=4 14937 B13R0.202 CCC(=O)COCCCCCC(=O)N cbf8ae21ef2518231445b1203f7870d2 [0,2,0,0,0,0|1,0,1]=4 14938 B13R0.202 CCC(=O)COCCCCCC(=O)O a53cf8e8fc69c122d4985bcd7f4cf458 [0,2,0,0,0,0|0,0,1]=3 14939 B13R0.202 CCC(=O)COCCCCCC(C)C 58fffbaccd721de6c2f67bc09f79ee83 [0,2,0,0,0,0|2,0,0]=4 14940 B13R0.202 CCC(=O)COCCOCCC(=O)O 86378db0cae9561cdaf3947aee7d6c87 [0,2,0,0,0,0|1,0,1]=4 14941 B13R0.202 CCC(=O)NCCCCCCC(C)C eb2cf4b8f942fa40545e00d0f9280378 [0,2,0,0,0,0|2,0,0]=4 14942 B13R0.202 CCC(=O)NCCNCCCC(=O)O 3b1b44f1a42548535c0df884075dc1b4 [0,2,0,0,0,0|1,0,1]=4 14943 B13R0.202 CCC(=O)OCCOCCCC(=O)O 75f7017c4de77ae28b214997afd7ee9f [0,2,0,0,0,0|1,0,1]=4 14944 B13R0.202 CCC(=O)OCNCCCCC(=O)O 75511dd74c1d27ac17e15a0ba3e03a72 [0,2,0,0,0,0|1,0,1]=4 14945 B13R0.202 CCC(=O)OCOCCCCC(=O)O 58c6ae4dbd4841d9095128bff822ec05 [0,2,0,0,0,0|1,0,1]=4 14946 B13R0.202 CCC(C)CCCCCOCC(=O)N d71b18335d39fe6819f7632f4dc9e05f [0,2,0,0,0,0|1,0,0]=3 14947 B13R0.202 CCC(C)CCCCCOCC(=O)O 926dd9773fa2a85d66e5b123b84c5dd9 [0,2,0,0,0,0|0,0,0]=2 14948 B13R0.202 CCC(C)CCCCCOC[N+](=O)[O-] e46543df4b9e95d0dae897f5bda98830 [0,2,0,0,0,0|1,0,1]=4 14949 B13R0.202 CCC(C)CCCCOCCC(=O)C 54f18a81a1c174c3f4745676ad2d60ba [0,2,0,0,0,0|1,0,0]=3 14950 B13R0.202 CCC(C)CCCCOCCC(=O)N daf89ff9a4a282160f2bfa6630e9cdf2 [0,2,0,0,0,0|1,0,0]=3 14951 B13R0.202 CCC(C)CCCCOCCC(=O)O e349cac23b68b34796b1edaa3218c47b [0,2,0,0,0,0|0,0,0]=2 14952 B13R0.202 CCC(C)CCCCOCCS(=O)C a46f29a1fb3a08a85e189a5f2288814a [0,2,0,0,0,0|2,0,0]=4 14953 B13R0.202 CCC(C)CCCCOCOC(=O)C 2666bffca0ec5398bb423678557b4e99 [0,2,0,0,0,0|2,0,0]=4 14954 B13R0.202 CCC(C)CCCCOCSC(=O)N ef3dd5a99427747a1ae5c12f98e00be0 [0,2,0,0,0,0|2,0,0]=4 14955 B13R0.202 CCC(C)CCCOC/C=C/C(=O)O 7523b69918ad52db87509abb65ca585e [0,2,0,0,0,0|0,0,2]=4 14956 B13R0.202 CCC(C)CCCOCC=CC(=O)O d04a592826ff474a6e164ff1b13cf357 [0,2,0,0,0,0|0,0,2]=4 14957 B13R0.202 CCC(C)CCCOCCCC(=O)C c7ac7ff5d053a1969bb42d0da41ad481 [0,2,0,0,0,0|1,0,0]=3 14958 B13R0.202 CCC(C)CCCOCCCC(=O)N 7d1ca24585588b9a968238e91363f50b [0,2,0,0,0,0|1,0,0]=3 14959 B13R0.202 CCC(C)CCCOCCC[N+](=O)[O-] 5f12902dbbedbb68bd9799a450c31d01 [0,2,0,0,0,0|1,0,1]=4 14960 B13R0.202 CCC(C)CCCOCCNC(=O)C 56798fe75bc257587ea66c6db6ec366f [0,2,0,0,0,0|2,0,0]=4 14961 B13R0.202 CCC(C)CCCOCCNC(=O)N 8b0d277878eb03184bfe162d0462f529 [0,2,0,0,0,0|2,0,0]=4 14962 B13R0.202 CCC(C)CCCOCCOC(=O)C b00f47db0dc731a8e0c0952f1f81d9a2 [0,2,0,0,0,0|2,0,0]=4 14963 B13R0.202 CCC(C)CCCOCCSC(=O)C 6cc6386011211d1f9e7d1350be51b156 [0,2,0,0,0,0|2,0,0]=4 14964 B13R0.202 CCC(C)CCNCCCCC(=O)C 48fac8c19ce2ed315f4816b362da1578 [0,2,0,0,0,0|1,0,0]=3 14965 B13R0.202 CCC(C)CCNCCCCC(=O)N 912b4e1692f8e96b1f5418ed1658df81 [0,2,0,0,0,0|1,0,0]=3 14966 B13R0.202 CCC(C)CCNCCCCC(=O)O 2c2e9bc19196ce2332247b914388b22d [0,2,0,0,0,0|0,0,0]=2 14967 B13R0.202 CCC(C)CCNCCCCC(C)O 3fccb1d77f9dad5193d5084808ad1ce4 [0,2,0,0,0,0|1,0,1]=4 14968 B13R0.202 CCC(C)CCNCCCC[C@@H](C)O 8ba3ff92a830e5f07801a5bb51d86ce4 [0,2,0,0,0,0|1,0,1]=4 14969 B13R0.202 CCC(C)CCNCCCNC(=O)C 36c8f47a2855387edcfe3993ba71b519 [0,2,0,0,0,0|2,0,0]=4 14970 B13R0.202 CCC(C)CCNCCCOC(=O)C d19f2fbc9a73b0eda629227f5c2262b7 [0,2,0,0,0,0|2,0,0]=4 14971 B13R0.202 CCC(C)CCNCCCSC(=O)C b6faca27853ae9cf29087a0a88d90273 [0,2,0,0,0,0|2,0,0]=4 14972 B13R0.202 CCC(C)CCNCCOCC(=O)N a9b909d3cb6500e3913899ab54204c87 [0,2,0,0,0,0|2,0,0]=4 14973 B13R0.202 CCC(C)CCNCCOCC(=O)O a5e0ba2f688abf12816cbb0a2db25c5b [0,2,0,0,0,0|1,0,0]=3 14974 B13R0.202 CCC(C)CCNCCSCC(=O)O 76efd0760f3286b85d67d985bc44d647 [0,2,0,0,0,0|1,0,0]=3 14975 B13R0.202 CCC(C)CCOCCC#CC(=O)O f198344e740bf843aa204b0af4feede7 [0,2,0,0,0,0|0,0,2]=4 14976 B13R0.202 CCC(C)CCOCCCCC(=O)C 5cd3e8475ac851c6e612fad2be5b556d [0,2,0,0,0,0|1,0,0]=3 14977 B13R0.202 CCC(C)CCOCCCCC(=O)N f7641ac8662f0ac157e5ecfadac08700 [0,2,0,0,0,0|1,0,0]=3 14978 B13R0.202 CCC(C)CCOCCCCC(=O)O 5d8d6098c7ff5f00b7d0ec54081d7d0a [0,2,0,0,0,0|0,0,0]=2 14979 B13R0.202 CCC(C)CCOCCCC[N+](=O)[O-] 2e8f0d745af05c734d0a3699ba5aba36 [0,2,0,0,0,0|1,0,1]=4 14980 B13R0.202 CCC(C)CCOCCCNC(=O)C c57ca7ad8cf7ef40d96dc1267d00c088 [0,2,0,0,0,0|2,0,0]=4 14981 B13R0.202 CCC(C)CCOCCCOC(=O)C 5370508a4a94e4eee123197c6a856b5b [0,2,0,0,0,0|2,0,0]=4 14982 B13R0.202 CCC(C)CCOCCCSC(=O)C 5e142c24c12798b69f378635df1244bf [0,2,0,0,0,0|2,0,0]=4 14983 B13R0.202 CCC(C)CCOCCOCC(=O)N 6da23e99e610866de23f75af54a04393 [0,2,0,0,0,0|2,0,0]=4 14984 B13R0.202 CCC(C)CCOCCOCC(=O)O 3596fa9d75a0a6b161ff90a7065c3f57 [0,2,0,0,0,0|1,0,0]=3 14985 B13R0.202 CCC(C)CCOCCSCC(=O)N 91ac3a27bbed3ba68a90632478751c15 [0,2,0,0,0,0|2,0,0]=4 14986 B13R0.202 CCC(C)CNCCCCCC(=O)C 085eb50541ca48da4ad9f6b2c650cdfc [0,2,0,0,0,0|1,0,0]=3 14987 B13R0.202 CCC(C)CNCCCCCC(=O)N 24aa5b23c2643de7e37025ba64593fde [0,2,0,0,0,0|1,0,0]=3 14988 B13R0.202 CCC(C)CNCCCCCC(=O)O f0762d0d7d0199a3e278e1d18fd7b9e2 [0,2,0,0,0,0|0,0,0]=2 14989 B13R0.202 CCC(C)CNCCCCNC(=O)C 6c226a252f7d1a8a2b6c437ea23b1696 [0,2,0,0,0,0|2,0,0]=4 14990 B13R0.202 CCC(C)CNCCCCOC(=O)C 2a13659f77daf127394964e6fdf5676c [0,2,0,0,0,0|2,0,0]=4 14991 B13R0.202 CCC(C)CNCCCCSC(=O)C 0f74b1f8892aefbd1b43afb672ea2340 [0,2,0,0,0,0|2,0,0]=4 14992 B13R0.202 CCC(C)CNCCCOCC(=O)O 3f63a9334d50d412249d39a208dba0dc [0,2,0,0,0,0|1,0,0]=3 14993 B13R0.202 CCC(C)CNCCOCCC(=O)O 02578212b2bdf03b5dc94396012fa7ea [0,2,0,0,0,0|1,0,0]=3 14994 B13R0.202 CCC(C)COCCCCCC(=O)C 91a9652dc9a61fd7771f45f3969844c0 [0,2,0,0,0,0|1,0,0]=3 14995 B13R0.202 CCC(C)COCCCCCC(=O)N 778aae6796dc971ca62420dc21e75ada [0,2,0,0,0,0|1,0,0]=3 14996 B13R0.202 CCC(C)COCCCCCC(=O)O 0d8938020f60603da5780242a513504b [0,2,0,0,0,0|0,0,0]=2 14997 B13R0.202 CCC(C)COCCCCOC(=O)C 2bfb1c2306744b7fc000a32b84716345 [0,2,0,0,0,0|2,0,0]=4 14998 B13R0.202 CCC(C)COCCCCSC(=O)C 584da514bfac4cac0fd7d734cead7f7b [0,2,0,0,0,0|2,0,0]=4 14999 B13R0.202 CCC(C)COCCCOCC(=O)O dd9d93543c1fc77de32b3ec3076df41e [0,2,0,0,0,0|1,0,0]=3 15000 B13R0.202 CCC(C)COCCOCCC(=O)O 5636db0b937c4d0a9317eb3f548caf5e [0,2,0,0,0,0|1,0,0]=3 15001 B13R0.202 CCC(C)NCCCCCCC(=O)O c9a0605fb4dac6b80e99b2cca621df49 [0,2,0,0,0,0|0,0,0]=2 15002 B13R0.202 CCC(C)NCCCCCNC(=O)C 9272b48115dcb7179785613292960eb5 [0,2,0,0,0,0|2,0,0]=4 15003 B13R0.202 CCC(C)NCCCCCOC(=O)C e4feb442caba72ed8cb303dd80224fa1 [0,2,0,0,0,0|2,0,0]=4 15004 B13R0.202 CCC(C)NCCCSCCC(=O)N d25a6929815e448c1cb57112238e5556 [0,2,0,0,0,0|2,0,0]=4 15005 B13R0.202 CCC(C)OCCCCCCC(=O)N 2afedbde3542baaf1b06d15a9fe94863 [0,2,0,0,0,0|1,0,0]=3 15006 B13R0.202 CCC(C)OCCCCCCC(=O)O cee2aee3bdfe7f490277d7aac3f426fe [0,2,0,0,0,0|0,0,0]=2 15007 B13R0.202 CCC(C)OCCCCCOC(=O)C 49af9649d74517ed158442e13999fb96 [0,2,0,0,0,0|2,0,0]=4 15008 B13R0.202 CCC(O)CNCCCCCC(=O)C d532b794415396ab6cd2b3066b4ca476 [0,2,0,0,0,0|1,0,0]=3 15009 B13R0.202 CCC(O)CNCCCCCC(=O)N b2398603ca692c095414cd7c30198604 [0,2,0,0,0,0|1,0,0]=3 15010 B13R0.202 CCC(O)CNCCCCCC(=O)O 9cb659addd6fc27e028dcdc558d3ee4d [0,2,0,0,0,0|0,0,0]=2 15011 B13R0.202 CCC(O)CNCCCCNC(=O)C 722a78e42d8a034da17e1714a9d0f91b [0,2,0,0,0,0|2,0,0]=4 15012 B13R0.202 CCC(O)CNCCCCOC(=O)C 91180678db6a3b8ad81ef1d5d87116bb [0,2,0,0,0,0|2,0,0]=4 15013 B13R0.202 CCC(O)CNCCCCSC(=O)C 62025c9abc05d4fd3088a382d0d35321 [0,2,0,0,0,0|2,0,0]=4 15014 B13R0.202 CCC(O)CNCCCOCC(=O)O 46d15f94d862aafed8c96f4a612e8657 [0,2,0,0,0,0|1,0,0]=3 15015 B13R0.202 CCC(O)CNCCOCCC(=O)O 7c4801ff7b87f9e0e90adbfafdda0f1b [0,2,0,0,0,0|1,0,0]=3 15016 B13R0.202 CCC(S)CCOCCCCC(=O)C 24f708aebd1bb74c2e115731148aa9fe [0,2,0,0,0,0|1,0,0]=3 15017 B13R0.202 CCC(S)CCOCCCCC(=O)N 206fc2d8684591206d55b9a9a1c24078 [0,2,0,0,0,0|1,0,0]=3 15018 B13R0.202 CCC(S)CCOCCCCC(=O)O 51faddd23de53feb4b0981d3820a0a24 [0,2,0,0,0,0|0,0,0]=2 15019 B13R0.202 CCC(S)CCOCCCNC(=O)C 4058688a5475f42852235b0806914302 [0,2,0,0,0,0|2,0,0]=4 15020 B13R0.202 CCC(S)CCOCCCOC(=O)C 0abfe25f1830d350b0403e3ea432aa51 [0,2,0,0,0,0|2,0,0]=4 15021 B13R0.202 CCC(S)CCOCCCSC(=O)C e2d493214f2af601ad09dc955d8aaef4 [0,2,0,0,0,0|2,0,0]=4 15022 B13R0.202 CCC(S)CCOCCOCC(=O)N 62b6c6f1ce1f711bb800241e1a3d04b0 [0,2,0,0,0,0|2,0,0]=4 15023 B13R0.202 CCC(S)CCOCCOCC(=O)O 085ba35c93077510eaf4047b5b03e0cd [0,2,0,0,0,0|1,0,0]=3 15024 B13R0.202 CCN(C)CCCCCCCC(=O)N 903440f6111a560ed3a56f4eaff51f58 [0,2,0,0,0,0|1,0,0]=3 15025 B13R0.202 CCN(C)CCCCCCCC(=O)O 1e552a237f38420a20a16485c8f0f263 [0,2,0,0,0,0|0,0,0]=2 15026 B13R0.202 CCN(C)CCCCCCOC(=O)C 6076a9bc81e387d9edb0da927d38b4da [0,2,0,0,0,0|2,0,0]=4 15027 B13R0.202 CCN(C)CCCNCCCC(=O)C e70590c830260ddbcdbb57c87397b7d8 [0,2,0,0,0,0|2,0,0]=4 15028 B13R0.202 CCN(C)CCCNCCCC(=O)N 2523a199a5699b04e4e9df4498d04553 [0,2,0,0,0,0|2,0,0]=4 15029 B13R0.202 CCN(C)CCCNCCCC(=O)O a5cf6b072a536ca5ffff38a2e7cf2dd3 [0,2,0,0,0,0|1,0,0]=3 15030 B13R0.202 CCN(C)CCCOCCCC(=O)C bbd2aa3a50464eaa61ff102f5267bf67 [0,2,0,0,0,0|2,0,0]=4 15031 B13R0.202 CCN(C)CCCOCCCC(=O)N a3490204d4c46d15a377916a187090bf [0,2,0,0,0,0|2,0,0]=4 15032 B13R0.202 CCN(C)CCCOCCCC(=O)O 4e13c18d8f565f4f0c03b4170dd4a01d [0,2,0,0,0,0|1,0,0]=3 15033 B13R0.202 CCN(C)CCOCCOCC(=O)O b0725476c0dc6a3d6b05da8ce14359e5 [0,2,0,0,0,0|2,0,0]=4 15034 B13R0.202 CCS(=O)CCNCCCCC(=O)N d8c59fd804bab77fe5e841e6e925e372 [0,2,0,0,0,0|2,0,0]=4 15035 B13R0.202 CCS(=O)CCNCCOCC(=O)O c982c49ec1b14b4981c39d7109e0b96a [0,2,0,0,0,0|2,0,0]=4 15036 B13R0.202 CCS(=O)CCOCCOCC(=O)O 95ed62eefbda24583a5bef333bfae19a [0,2,0,0,0,0|2,0,0]=4 15037 B13R0.202 CC[C@@H](C)CNCCCCCC(=O)N 7d0e52a5c09f17e5f19f2eb23c6e11b3 [0,2,0,0,0,0|1,0,0]=3 15038 B13R0.202 CC[C@@H](C)CNCCCCCC(=O)O f9d8b71ae5ec712d10a11cc43204b0f0 [0,2,0,0,0,0|0,0,0]=2 15039 B13R0.202 CC[C@@H](C)CNCCCCNC(=O)C eaf4531fc4fe2a8221b25594afd848f3 [0,2,0,0,0,0|2,0,0]=4 15040 B13R0.202 CC[C@@H](C)CNCCOCCC(=O)O 8923137edef6055fe1de003733f09e91 [0,2,0,0,0,0|1,0,0]=3 15041 B13R0.202 CC[C@@H](C)COCCCCCC(=O)C 622101a81009cfa9088010217c1ce685 [0,2,0,0,0,0|1,0,0]=3 15042 B13R0.202 CC[C@@H](C)COCCCCCC(=O)N e6c8bc01b35a83ab3f01dbf2ad62d169 [0,2,0,0,0,0|1,0,0]=3 15043 B13R0.202 CC[C@@H](C)COCCCCCC(=O)O 6436d268261ab433cf23d9a08e03219f [0,2,0,0,0,0|0,0,0]=2 15044 B13R0.202 CC[C@@H](C)COCCCCOC(=O)C 6bddfd495a12c4c26aea2303dd6de39e [0,2,0,0,0,0|2,0,0]=4 15045 B13R0.202 CC[C@@H](C)COCCCCSC(=O)C e19e2489629c5d1be54161c34eccf92c [0,2,0,0,0,0|2,0,0]=4 15046 B13R0.202 CC[C@@H](C)COCCCOCC(=O)O eced84249cee25956052828b560cdcb8 [0,2,0,0,0,0|1,0,0]=3 15047 B13R0.202 CC[C@@H](C)COCCOCCC(=O)O e6889c588039da704939060d1a07c97d [0,2,0,0,0,0|1,0,0]=3 15048 B13R0.202 CC[C@@H](C)NCCCCCOC(=O)C 9df51bfb0ed63bc2f5242be85527e522 [0,2,0,0,0,0|2,0,0]=4 15049 B13R0.202 CC[C@@H](C)OCCCCCOC(=O)C 89eb8d308bc20c4406d825bd83ea85c7 [0,2,0,0,0,0|2,0,0]=4 15050 B13R0.202 CC[C@@H](O)CNCCCCCC(=O)C c5d013cf4119b03b91368f66be904b11 [0,2,0,0,0,0|1,0,0]=3 15051 B13R0.202 CC[C@@H](O)CNCCCCCC(=O)N 3747f362a4b067fe38044a0af8dfe9ea [0,2,0,0,0,0|1,0,0]=3 15052 B13R0.202 CC[C@@H](O)CNCCCCCC(=O)O 6d006527d7e8a8adfc8177ab38e36dd0 [0,2,0,0,0,0|0,0,0]=2 15053 B13R0.202 CC[C@@H](O)CNCCCCOC(=O)C 4722564965ca8d9000d3f06da25ddda2 [0,2,0,0,0,0|2,0,0]=4 15054 B13R0.202 CC[C@@H](O)CNCCCCSC(=O)C 096fff1cf45a080567d789c193cb177d [0,2,0,0,0,0|2,0,0]=4 15055 B13R0.202 CC[C@@H](O)CNCCCOCC(=O)O b33d4d96f278d84ef40c00b941f1a1f1 [0,2,0,0,0,0|1,0,0]=3 15056 B13R0.202 CC[C@@H](O)CNCCOCCC(=O)O 8bfd729d5186e79cca69c5ce296ee8f6 [0,2,0,0,0,0|1,0,0]=3 15057 B13R0.202 CC[C@H](C)CCCCCOCC(=O)N b2f601bdb2f04743b4926b4c41022fe2 [0,2,0,0,0,0|1,0,0]=3 15058 B13R0.202 CC[C@H](C)CCCCCOCC(=O)O 0235bcbfae97e436213a72c5b439dc65 [0,2,0,0,0,0|0,0,0]=2 15059 B13R0.202 CC[C@H](C)CCCCCOC[N+](=O)[O-] 45f08d710b916f596b0e444094d50023 [0,2,0,0,0,0|1,0,1]=4 15060 B13R0.202 CC[C@H](C)CCCCOCCC(=O)C e2ee2d6c0fd97222e8e88f00cea6d3ff [0,2,0,0,0,0|1,0,0]=3 15061 B13R0.202 CC[C@H](C)CCCCOCCC(=O)N c01e67373717097faca28c9a720b13d2 [0,2,0,0,0,0|1,0,0]=3 15062 B13R0.202 CC[C@H](C)CCCCOCCC(=O)O 632eacd5eb349e1deb17ad2f023935be [0,2,0,0,0,0|0,0,0]=2 15063 B13R0.202 CC[C@H](C)CCCCOCCS(=O)C df1ed1a15a84978aee41d2db6e8682ab [0,2,0,0,0,0|2,0,0]=4 15064 B13R0.202 CC[C@H](C)CCCCOCOC(=O)C 3a75dd4d2970ab33255aaad100b83db5 [0,2,0,0,0,0|2,0,0]=4 15065 B13R0.202 CC[C@H](C)CCCCOCSC(=O)N 00242b31be1a40889e9efec0327d7041 [0,2,0,0,0,0|2,0,0]=4 15066 B13R0.202 CC[C@H](C)CCCOC/C=C/C(=O)O 9a12e70dbd5455fb43e979f9d0a82444 [0,2,0,0,0,0|0,0,2]=4 15067 B13R0.202 CC[C@H](C)CCCOCC=CC(=O)O 492dade2fbe01089d5009424a1f444a9 [0,2,0,0,0,0|0,0,2]=4 15068 B13R0.202 CC[C@H](C)CCCOCCCC(=O)C cc34c485ce0a73837730da368a79a841 [0,2,0,0,0,0|1,0,0]=3 15069 B13R0.202 CC[C@H](C)CCCOCCCC(=O)N f9323cad7ebd8341e0621d0c4a215027 [0,2,0,0,0,0|1,0,0]=3 15070 B13R0.202 CC[C@H](C)CCCOCCC[N+](=O)[O-] 3e1f7fa7925fad3b9eb61e7baaffc1f7 [0,2,0,0,0,0|1,0,1]=4 15071 B13R0.202 CC[C@H](C)CCCOCCNC(=O)C 09872a20d6dac868e9ceecb20478b03a [0,2,0,0,0,0|2,0,0]=4 15072 B13R0.202 CC[C@H](C)CCCOCCNC(=O)N ddc9199234b915719b090306c8106511 [0,2,0,0,0,0|2,0,0]=4 15073 B13R0.202 CC[C@H](C)CCCOCCOC(=O)C 1d1ea1ca82634ef27bbfe64f29607ffd [0,2,0,0,0,0|2,0,0]=4 15074 B13R0.202 CC[C@H](C)CCCOCCSC(=O)C 529dc6609369bb44d5e61c1a4eb6a6b6 [0,2,0,0,0,0|2,0,0]=4 15075 B13R0.202 CC[C@H](C)CCOCCCCC(=O)C 458426a7058c02733e1d663bab6dfda7 [0,2,0,0,0,0|1,0,0]=3 15076 B13R0.202 CC[C@H](C)CCOCCCCC(=O)N b76dbc86bf1f8ff297f041547284e777 [0,2,0,0,0,0|1,0,0]=3 15077 B13R0.202 CC[C@H](C)CCOCCCCC(=O)O 911969ee0523a8fc220d5d98d6812889 [0,2,0,0,0,0|0,0,0]=2 15078 B13R0.202 CC[C@H](C)CCOCCCNC(=O)C 6867622b4dd9a9f56b333af6ddb69701 [0,2,0,0,0,0|2,0,0]=4 15079 B13R0.202 CC[C@H](C)CCOCCCOC(=O)C a7796c03ff23cb1040c731e97ff522f3 [0,2,0,0,0,0|2,0,0]=4 15080 B13R0.202 CC[C@H](C)CCOCCCSC(=O)C 1b39ed9156850ec79812ef7c373787a6 [0,2,0,0,0,0|2,0,0]=4 15081 B13R0.202 CC[C@H](C)CCOCCOCC(=O)N b1fe3abb44f54e71d576052c256c5fca [0,2,0,0,0,0|2,0,0]=4 15082 B13R0.202 CC[C@H](C)CCOCCOCC(=O)O 9fe7c3ec0b7712ae2ef41a709375dbef [0,2,0,0,0,0|1,0,0]=3 15083 B13R0.202 CC[C@H](C)CNCCCCCC(=O)C e35f4bc4c4c9b4394216905f313dda9f [0,2,0,0,0,0|1,0,0]=3 15084 B13R0.202 CC[C@H](C)CNCCCCCC(=O)N 9ecb9f819119be2dfa1a85ab370b3fff [0,2,0,0,0,0|1,0,0]=3 15085 B13R0.202 CC[C@H](C)CNCCCCCC(=O)O 118368c503f4765c395fee35fd723b76 [0,2,0,0,0,0|0,0,0]=2 15086 B13R0.202 CC[C@H](C)CNCCCCNC(=O)C 21e0677162877eab567a586175628f30 [0,2,0,0,0,0|2,0,0]=4 15087 B13R0.202 CC[C@H](C)CNCCCCOC(=O)C 36aa00e7a4854ae26caf241ecc1b3020 [0,2,0,0,0,0|2,0,0]=4 15088 B13R0.202 CC[C@H](C)CNCCCCSC(=O)C cb0afc851b9847cb3b5954695fc5c0b5 [0,2,0,0,0,0|2,0,0]=4 15089 B13R0.202 CC[C@H](C)CNCCCOCC(=O)O baae803944752c9c41221c7c53824d19 [0,2,0,0,0,0|1,0,0]=3 15090 B13R0.202 CC[C@H](C)CNCCOCCC(=O)O 9f9ca611b04f8dd454e195e6321b2201 [0,2,0,0,0,0|1,0,0]=3 15091 B13R0.202 CC[C@H](C)COCCCCCC(=O)C ecc47713aa67e21a57988c14fcde8fec [0,2,0,0,0,0|1,0,0]=3 15092 B13R0.202 CC[C@H](C)COCCCCCC(=O)N bee0e78b7e0fa2edc4875f6a0cec088d [0,2,0,0,0,0|1,0,0]=3 15093 B13R0.202 CC[C@H](C)COCCCCCC(=O)O 6eac032dbf3f73e5f4406eca41efa6c5 [0,2,0,0,0,0|0,0,0]=2 15094 B13R0.202 CC[C@H](C)COCCCCOC(=O)C a17f24bb90df266da3e3363e22964a1f [0,2,0,0,0,0|2,0,0]=4 15095 B13R0.202 CC[C@H](C)COCCCCSC(=O)C 4f18025f84f1d95c998cb0dfcdb76360 [0,2,0,0,0,0|2,0,0]=4 15096 B13R0.202 CC[C@H](C)COCCCOCC(=O)O dabc44af7f4e0d5573780734c82536b3 [0,2,0,0,0,0|1,0,0]=3 15097 B13R0.202 CC[C@H](C)COCCOCCC(=O)O 4b515123e64c518637ba17a241ab8a3c [0,2,0,0,0,0|1,0,0]=3 15098 B13R0.202 CC[C@H](C)NCCCCCOC(=O)C ed9806d72c081fe625303b3df3030af5 [0,2,0,0,0,0|2,0,0]=4 15099 B13R0.202 CC[C@H](C)OCCCCCOC(=O)C ef871717c23dc598ede157e9b6db85f1 [0,2,0,0,0,0|2,0,0]=4 15100 B13R0.202 CN(C)CCCCCCNC(=O)CO 17509a5b1b81829a45b068bdcfdf8a15 [0,2,0,0,0,0|2,0,0]=4 15101 B13R0.202 CN(C)CCCCCNCC(=O)CO c8a263491c83bc060c96a72074624bcc [0,2,0,0,0,0|2,0,0]=4 15102 B13R0.202 CN(C)CCCCNCCC(=O)NO b796e7feb1bac09f04d131ed76cb8b96 [0,2,0,0,0,0|2,0,0]=4 15103 B13R0.202 CN(C=O)CCOCCCCC(=O)O b30b2a7732ba29067ddf8bf9756b1b73 [0,2,0,0,0,0|2,0,0]=4 15104 B13R0.202 CN(CF)CCCCCCCC(=O)O f9be414334a1fee365f6ca1891b9eadf [0,2,0,0,0,0|1,0,0]=3 15105 B13R0.202 CN(CO)CCCCCCCC(=O)O 2d0f0a98f04b849812dddd7676c7c54a [0,2,0,0,0,0|1,0,0]=3 15106 B13R0.202 CNC(=O)CCCNCCCC(=O)O 125b8db846ea2c2def05fbacd43b4ea3 [0,2,0,0,0,0|1,0,1]=4 15107 B13R0.202 CNC(=O)CCCNCCCC(C)C 1172f8ced47cd5ba05536116ec6c4d95 [0,2,0,0,0,0|2,0,0]=4 15108 B13R0.202 CNC(=O)CCCOCCCC(=O)O 2d4e8788eba846eb56b88db76fa1726a [0,2,0,0,0,0|1,0,1]=4 15109 B13R0.202 CNC(=O)CCCOCCCC(C)C 2b785ef42d1dbe627664692f042b6ad9 [0,2,0,0,0,0|2,0,0]=4 15110 B13R0.202 CNC(=O)CCNCCCCC(=O)O 1435a97357219a45e6a8f7ad363de536 [0,2,0,0,0,0|1,0,1]=4 15111 B13R0.202 CNC(=O)CCNCCCCC(C)C dc0b0b0a48ebef4eff5e56ebd6d1362d [0,2,0,0,0,0|2,0,0]=4 15112 B13R0.202 CNC(=O)CCNCCCCC(C)O 94b93b348f20101da885e66ca981d0c8 [0,2,0,0,0,0|2,0,0]=4 15113 B13R0.202 CNC(=O)CCNCCCC[C@@H](C)O 1af09bce6e16bb2ae41fe1b46fa4fce8 [0,2,0,0,0,0|2,0,0]=4 15114 B13R0.202 CNC(=O)CCOCCCCC(=O)O b17d8c87e3d2af8902166b673ba883f1 [0,2,0,0,0,0|1,0,1]=4 15115 B13R0.202 CNC(=O)CCOCCCCC(C)C 7b1459a63ca7f455a5d77eb36621b959 [0,2,0,0,0,0|2,0,0]=4 15116 B13R0.202 CNC(=O)CNCCCCCC(=O)O 4ed03d442475d1ba19ac93b1a633b773 [0,2,0,0,0,0|1,0,1]=4 15117 B13R0.202 CNC(=O)CNCCCCCC(C)C 50381d7ce777c97c3aaf1b6f27246ebf [0,2,0,0,0,0|2,0,0]=4 15118 B13R0.202 CNC(=O)COCCCCCC(=O)O 285ac2d92388b32204d0bc1ee2f6fc54 [0,2,0,0,0,0|1,0,1]=4 15119 B13R0.202 CNC(=O)COCCCCCC(C)C 2a558145e6cbad1b301dde93f075c2ab [0,2,0,0,0,0|2,0,0]=4 15120 B13R0.202 COC(=O)CCCCCCNC(=O)C 44a534a3cfdb6f803ed520266031916b [0,2,0,0,0,0|1,0,1]=4 15121 B13R0.202 COC(=O)CCCCCCNC(C)C 4d2ca2479cb70fe6092abfa64325b3da [0,2,0,0,0,0|1,0,0]=3 15122 B13R0.202 COC(=O)CCCCCCOC(C)C 50476f4df7f786cdce203e12a5766bc0 [0,2,0,0,0,0|1,0,0]=3 15123 B13R0.202 COC(=O)CCCCCNCC(=O)C 2658f9ab817b55094395beededcd6a6f [0,2,0,0,0,0|1,0,1]=4 15124 B13R0.202 COC(=O)CCCCCNCC(=O)O f8366fb9d84934bd1a25f7e51c8dc7bb [0,2,0,0,0,0|1,0,1]=4 15125 B13R0.202 COC(=O)CCCCCNCC(C)C faa43aa37302709e874122dab872a96d [0,2,0,0,0,0|1,0,0]=3 15126 B13R0.202 COC(=O)CCCCCNCC(C)O 044ce6e17a4ce5ac4cfe65b1fb9f2436 [0,2,0,0,0,0|1,0,0]=3 15127 B13R0.202 COC(=O)CCCCCNCC(F)F 399d1c2853a4198949b21a9a3f047353 [0,2,0,0,0,0|2,0,0]=4 15128 B13R0.202 COC(=O)CCCCCNCN(C)C 21ac47b578ddc1000565410d2719a8e2 [0,2,0,0,0,0|2,0,0]=4 15129 B13R0.202 COC(=O)CCCCCNC[C@@H](C)O f930ca8614e6bd54dff6e74cf2d37d4e [0,2,0,0,0,0|1,0,0]=3 15130 B13R0.202 COC(=O)CCCCCNC[C@H](C)O 1024404445b933d891a09b8cb6dba741 [0,2,0,0,0,0|1,0,0]=3 15131 B13R0.202 COC(=O)CCCCCOCC(=O)C 8cba570bc6f372b9e7633be0bf2774ac [0,2,0,0,0,0|1,0,1]=4 15132 B13R0.202 COC(=O)CCCCCOCC(=O)O 33a48c98bfa21d6eb8585a6deb9a7c55 [0,2,0,0,0,0|1,0,1]=4 15133 B13R0.202 COC(=O)CCCCCOCC(C)C 8fa9650897e815305842043c3d95f7da [0,2,0,0,0,0|1,0,0]=3 15134 B13R0.202 COC(=O)CCCCCOCC(C)F 164a9c34d1cbe103dca862bc798f765f [0,2,0,0,0,0|1,0,0]=3 15135 B13R0.202 COC(=O)CCCCCOCC(C)S 37170b88a91f531c41320b046c170ffd [0,2,0,0,0,0|1,0,0]=3 15136 B13R0.202 COC(=O)CCCCCOCC(F)F f64fbb3e3328b3712af05266d287ed04 [0,2,0,0,0,0|2,0,0]=4 15137 B13R0.202 COC(=O)CCCCCOCN(C)C fe02f4bef8661f4d6f8ed34282be3a44 [0,2,0,0,0,0|2,0,0]=4 15138 B13R0.202 COC(=O)CCCCCOC[C@@H](C)F 99068248c91a5e77c98234aa2c4fac77 [0,2,0,0,0,0|1,0,0]=3 15139 B13R0.202 COC(=O)CCCCCOC[C@H](C)F 1ef98289b271a06ca1ed8a3b6cc917f2 [0,2,0,0,0,0|1,0,0]=3 15140 B13R0.202 COC(=O)CCCCNCCC(=O)C 79814cdb58e50438655605bd4aeee63b [0,2,0,0,0,0|1,0,1]=4 15141 B13R0.202 COC(=O)CCCCNCCC(=O)O 7fb914480f0b885644f93a49494a14ce [0,2,0,0,0,0|1,0,1]=4 15142 B13R0.202 COC(=O)CCCCNCCC(C)C a94e41ef9c84d68e8701fe55c6a9470f [0,2,0,0,0,0|1,0,0]=3 15143 B13R0.202 COC(=O)CCCCNCCC(C)O 3b0970821808f5ed8d3b303c537ff3b9 [0,2,0,0,0,0|1,0,0]=3 15144 B13R0.202 COC(=O)CCCCNCCC(F)F ab2d51bcfb31dec6aef365b58cf8c35f [0,2,0,0,0,0|2,0,0]=4 15145 B13R0.202 COC(=O)CCCCNCCN(C)C acde1070030bc33dd18f64443d979989 [0,2,0,0,0,0|2,0,0]=4 15146 B13R0.202 COC(=O)CCCCNCCS(=O)C 3ee6da99994a0943bd31aaac1b400958 [0,2,0,0,0,0|2,0,0]=4 15147 B13R0.202 COC(=O)CCCCNCC[C@@H](C)O 6bc8af2beaf59b3378aff3ca3ae1abdf [0,2,0,0,0,0|1,0,0]=3 15148 B13R0.202 COC(=O)CCCCNCC[C@H](C)O b642393821d9c9c490af818b5404b312 [0,2,0,0,0,0|1,0,0]=3 15149 B13R0.202 COC(=O)CCCCNCOC(C)C d686a0645a90bac1fe21c01f6b9f7c8d [0,2,0,0,0,0|2,0,0]=4 15150 B13R0.202 COC(=O)CCCCOCCC(=O)C bd6f430f6a3264ee324b0ae961beb50e [0,2,0,0,0,0|1,0,1]=4 15151 B13R0.202 COC(=O)CCCCOCCC(=O)O 1f12858a10a13b40a91290ebf0e772aa [0,2,0,0,0,0|1,0,1]=4 15152 B13R0.202 COC(=O)CCCCOCCC(C)C 928b6325eefb3f94d3224f15575e8c28 [0,2,0,0,0,0|1,0,0]=3 15153 B13R0.202 COC(=O)CCCCOCCC(F)F 67f922a745a98d7370649020228298ec [0,2,0,0,0,0|2,0,0]=4 15154 B13R0.202 COC(=O)CCCCOCCN(C)C 0fffab87ade85c4a0d259d97e9b16149 [0,2,0,0,0,0|2,0,0]=4 15155 B13R0.202 COC(=O)CCCCOCCS(=O)C dd26aa9906a50371aff06811c50a2e49 [0,2,0,0,0,0|2,0,0]=4 15156 B13R0.202 COC(=O)CCCCOCOC(C)C 027ff11520b026839f2fbc4832973c13 [0,2,0,0,0,0|2,0,0]=4 15157 B13R0.202 COC(=O)CCCNCCCC(=O)C 6609d098327ef3d8c1050fbefd56c643 [0,2,0,0,0,0|1,0,1]=4 15158 B13R0.202 COC(=O)CCCNCCCC(=O)O f4d3c9969b39fdbbb57779d09ffdcb07 [0,2,0,0,0,0|1,0,1]=4 15159 B13R0.202 COC(=O)CCCNCCCC(C)C 6ee72d14c5a990fcb3a5d385bb0ad8ae [0,2,0,0,0,0|1,0,0]=3 15160 B13R0.202 COC(=O)CCCNCCCC(C)O bcf11727ef3f28e63ac8f3d62d987e56 [0,2,0,0,0,0|1,0,0]=3 15161 B13R0.202 COC(=O)CCCNCCCN(C)C 4d9c8fe8c387ccdf8055cbc51f207ba6 [0,2,0,0,0,0|2,0,0]=4 15162 B13R0.202 COC(=O)CCCNCCCS(=O)C c8d965219ff4a7302a1d8d580f184524 [0,2,0,0,0,0|2,0,0]=4 15163 B13R0.202 COC(=O)CCCNCCOC(C)C 5956d48631fca73d68471aabedd760a1 [0,2,0,0,0,0|2,0,0]=4 15164 B13R0.202 COC(=O)CCCNCCSC(C)C e7f13fb5fbe01936825c56a37321c1c6 [0,2,0,0,0,0|2,0,0]=4 15165 B13R0.202 COC(=O)CCCOCCCC(=O)C 83aeae7a5cd3934aa6f619d7c7b8a59b [0,2,0,0,0,0|1,0,1]=4 15166 B13R0.202 COC(=O)CCCOCCCC(C)C 8c472026c949280040a990d25f3e15f3 [0,2,0,0,0,0|1,0,0]=3 15167 B13R0.202 COC(=O)CCCOCCCN(C)C 8fe903acf43adbd84141852ec7571666 [0,2,0,0,0,0|2,0,0]=4 15168 B13R0.202 COC(=O)CCCOCCOC(C)C 69928dc3e5e78589922712e4de18559e [0,2,0,0,0,0|2,0,0]=4 15169 B13R0.202 COC(=O)CCCOCCSC(C)C 3c5e4c3277e480d526907d187d8b5f18 [0,2,0,0,0,0|2,0,0]=4 15170 B13R0.202 COC(=O)CCNCCCCC(=O)C e3395513877fccdf1b6859fa0d0fa163 [0,2,0,0,0,0|1,0,1]=4 15171 B13R0.202 COC(=O)CCNCCCCC(=O)O b40a9dccda245b8f8a02cd83b2067702 [0,2,0,0,0,0|1,0,1]=4 15172 B13R0.202 COC(=O)CCNCCCCC(C)C 9b504bf85687d56adaa09dcf2587c40d [0,2,0,0,0,0|1,0,0]=3 15173 B13R0.202 COC(=O)CCNCCCCC(C)O b6275be8e4bc39fbba2119e165cac213 [0,2,0,0,0,0|1,0,0]=3 15174 B13R0.202 COC(=O)CCNCCCCC(F)F 3865b5c5ab61433172d92a076e7e6df0 [0,2,0,0,0,0|2,0,0]=4 15175 B13R0.202 COC(=O)CCNCCCCN(C)C 4f98be155300939a5eb57f494a9f99d4 [0,2,0,0,0,0|2,0,0]=4 15176 B13R0.202 COC(=O)CCNCCCC[C@@H](C)O 726ecf9fce18bd8583f55f9bc9eb9eca [0,2,0,0,0,0|1,0,0]=3 15177 B13R0.202 COC(=O)CCNCCCOC(C)C dbbcb685b84edc5c62b8d0d3a9e08c8e [0,2,0,0,0,0|2,0,0]=4 15178 B13R0.202 COC(=O)CCNCCCSC(C)C 966fdb8bb4c533c809d5f51eb2c47587 [0,2,0,0,0,0|2,0,0]=4 15179 B13R0.202 COC(=O)CCNCCOCC(C)C 990670d898999594540cc728f1fd0d6f [0,2,0,0,0,0|2,0,0]=4 15180 B13R0.202 COC(=O)CCOCCCCC(=O)C 51795b0e0495d299fec20514fd2d198e [0,2,0,0,0,0|1,0,1]=4 15181 B13R0.202 COC(=O)CCOCCCCC(=O)O 59d4254b419fc4edfec3e039d238eef9 [0,2,0,0,0,0|1,0,1]=4 15182 B13R0.202 COC(=O)CCOCCCCC(C)C 21e2aee5a99a518d2a9c526acb6fb4e5 [0,2,0,0,0,0|1,0,0]=3 15183 B13R0.202 COC(=O)CCOCCCCN(C)C 9c2d38d3c32fef0cd53583ac9b905645 [0,2,0,0,0,0|2,0,0]=4 15184 B13R0.202 COC(=O)CCOCCCOC(C)C 10a3a17db36061c811d0e633e6b0099b [0,2,0,0,0,0|2,0,0]=4 15185 B13R0.202 COC(=O)CCOCCCSC(C)C 6712669091025a6688f9ac648364e364 [0,2,0,0,0,0|2,0,0]=4 15186 B13R0.202 COC(=O)CCOCCOCC(C)C 2f34cc63b5efa81ea759a43f2febf1f1 [0,2,0,0,0,0|2,0,0]=4 15187 B13R0.202 COC(=O)CCOCCSCC(C)C a8024252a34bfca79415884f4d3f7728 [0,2,0,0,0,0|2,0,0]=4 15188 B13R0.202 COC(=O)CNCCCCCC(=O)C 11d41d1148adb1302b4d00c643183044 [0,2,0,0,0,0|1,0,1]=4 15189 B13R0.202 COC(=O)CNCCCCCC(=O)O c6afe28d261b66f952a5b30d88c8cd6b [0,2,0,0,0,0|1,0,1]=4 15190 B13R0.202 COC(=O)CNCCCCCC(C)C 49f053a36134f8bf298e616455c385ee [0,2,0,0,0,0|1,0,0]=3 15191 B13R0.202 COC(=O)CNCCCCCC(F)F 7ad9a8db4517fd122fd2de9e652ee2f8 [0,2,0,0,0,0|2,0,0]=4 15192 B13R0.202 COC(=O)CNCCCCCN(C)C 5c1ad95ead8a30d7d942a60452ba2ba2 [0,2,0,0,0,0|2,0,0]=4 15193 B13R0.202 COC(=O)CNCCCOCC(C)C ccb52fa1664bf75bcb2a10d8d38315f9 [0,2,0,0,0,0|2,0,0]=4 15194 B13R0.202 COC(=O)COCCCCCC(=O)C 7352ae172b5ec6c823dc4355df0aac2b [0,2,0,0,0,0|1,0,1]=4 15195 B13R0.202 COC(=O)COCCCCCC(=O)O c7443e0c2df96fd20279f652b98a367e [0,2,0,0,0,0|1,0,1]=4 15196 B13R0.202 COC(=O)COCCCCCC(C)C c4c5e89dc6d09efe1d5e314387267d9f [0,2,0,0,0,0|1,0,0]=3 15197 B13R0.202 COC(=O)COCCCCCC(F)F f1db4266e69a2066ab0e9ee5c9387685 [0,2,0,0,0,0|2,0,0]=4 15198 B13R0.202 COC(=O)COCCCCCN(C)C 8d7dbee2a51b7a0b7106bc532d73d1fd [0,2,0,0,0,0|2,0,0]=4 15199 B13R0.202 COC(=O)COCCCNCC(C)C 72d4c864e8f5eba361519422c844489b [0,2,0,0,0,0|2,0,0]=4 15200 B13R0.202 COC(=O)COCCCNCC(C)O 5757ad2c570c54a500c88d7aae8203f3 [0,2,0,0,0,0|2,0,0]=4 15201 B13R0.202 COC(=O)COCCCNC[C@@H](C)O 46d3541329e424ade287bca2ac8056bc [0,2,0,0,0,0|2,0,0]=4 15202 B13R0.202 COC(=O)COCCCNC[C@H](C)O 3193e52be099d1158701fed82f758bd2 [0,2,0,0,0,0|2,0,0]=4 15203 B13R0.202 COC(=O)COCCCOCC(C)C 28ba199867e1b9d1c8cae9a1a78a1c3a [0,2,0,0,0,0|2,0,0]=4 15204 B13R0.202 COC(=O)COCCCOCC(C)F 9ca22cffdcdcf49a8b995e7529347dbe [0,2,0,0,0,0|2,0,0]=4 15205 B13R0.202 COC(=O)COCCCOCC(C)S 7b458f4b5ea032182d74a502bc601a7f [0,2,0,0,0,0|2,0,0]=4 15206 B13R0.202 COC(=O)COCCCOC[C@@H](C)F 1bde5507aab6ff46e7235959c5427278 [0,2,0,0,0,0|2,0,0]=4 15207 B13R0.202 COC(=O)COCCCOC[C@H](C)F 2ba1868e388cf2828556386430291a5e [0,2,0,0,0,0|2,0,0]=4 15208 B13R0.202 COC(=O)COCCCSCC(C)C 83ac2ed091b53c9dc2e6eaf2bccf4bad [0,2,0,0,0,0|2,0,0]=4 15209 B13R0.202 COC(=O)COCCNCCC(C)C 230ba23f048c3d4258a65ab563b622dc [0,2,0,0,0,0|2,0,0]=4 15210 B13R0.202 COC(=O)COCCNCCC(C)O 662c635a066327153102981c744d9fc4 [0,2,0,0,0,0|2,0,0]=4 15211 B13R0.202 COC(=O)COCCNCC[C@@H](C)O 283c33d5c7f9a01ec555ef3f6cd027fe [0,2,0,0,0,0|2,0,0]=4 15212 B13R0.202 COC(=O)COCCNCC[C@H](C)O 84edeba600e3f3efe5788dfa68e3930c [0,2,0,0,0,0|2,0,0]=4 15213 B13R0.202 COC(=O)COCCOCCC(C)C 702fe894302946532de4e6854b82124b [0,2,0,0,0,0|2,0,0]=4 15214 B13R0.202 COC(=O)CSCCCNCC(C)C e4121fd7966b978387680bf5d80dec05 [0,2,0,0,0,0|2,0,0]=4 15215 B13R0.202 COC(=O)CSCCCNCC(C)O 4b17578764dace6972179b2bb4dfab47 [0,2,0,0,0,0|2,0,0]=4 15216 B13R0.202 COC(=O)CSCCCNC[C@@H](C)O dbfef3a8c99b9d2c19704d9bfe3635a0 [0,2,0,0,0,0|2,0,0]=4 15217 B13R0.202 COC(=O)CSCCCNC[C@H](C)O 17f3a960912d8b238beb94af14a2f51c [0,2,0,0,0,0|2,0,0]=4 15218 B13R0.202 COC(=O)CSCCCOCC(C)C d8e8d588c711481fadaf057ec3359f72 [0,2,0,0,0,0|2,0,0]=4 15219 B13R0.202 COC(=O)CSCCCOCC(C)F 91584a950215b50090483ee9384247e0 [0,2,0,0,0,0|2,0,0]=4 15220 B13R0.202 COC(=O)CSCCCOCC(C)S 7743767acf244865f7b3f911ec15f213 [0,2,0,0,0,0|2,0,0]=4 15221 B13R0.202 COC(=O)CSCCCOC[C@@H](C)F 1988bda40af68c2b6119e3ac12c4eec4 [0,2,0,0,0,0|2,0,0]=4 15222 B13R0.202 COC(=O)CSCCCOC[C@H](C)F f8f99c2dd7ff260e381adeb1e888a79d [0,2,0,0,0,0|2,0,0]=4 15223 B13R0.202 COC(=O)OCCOCCCC(C)C 3960d3c33d4bc2aea6aab1d92892857e [0,2,0,0,0,0|2,0,0]=4 15224 B13R0.202 COC(=O)OCOCCCCC(C)C 9102e972d06cce91f8112864e01e8679 [0,2,0,0,0,0|2,0,0]=4 15225 B13R0.202 COC(C)CCOCCCCC(=O)C 1cebc286eba275abcb548be9ddf9ba34 [0,2,0,0,0,0|2,0,0]=4 15226 B13R0.202 COC(C)CCOCCCCC(=O)N a5ba28916a7e8937744a47ac828dda69 [0,2,0,0,0,0|2,0,0]=4 15227 B13R0.202 COC(C)CCOCCCCC(=O)O 35c46fc316df57ea7faf3d86edcfcd0c [0,2,0,0,0,0|1,0,0]=3 15228 B13R0.202 COC(C)CCOCCOCC(=O)O ae3822224e7a00f34b48a57ce949207e [0,2,0,0,0,0|2,0,0]=4 15229 B13R0.202 COC(C)CNCCCCCC(=O)N dda29bbd6c720841467e45c9014d48f2 [0,2,0,0,0,0|2,0,0]=4 15230 B13R0.202 COC(C)CNCCCCCC(=O)O 0326c65714db4e38e737f16cfbb2b098 [0,2,0,0,0,0|1,0,0]=3 15231 B13R0.202 COC(C)CNCCOCCC(=O)O 07b80b6b330f96453b806ec87bd6d121 [0,2,0,0,0,0|2,0,0]=4 15232 B13R0.202 COC(C)COCCCCCC(=O)C 3b6398431960c89d90591ff5b662a90d [0,2,0,0,0,0|2,0,0]=4 15233 B13R0.202 COC(C)COCCCCCC(=O)N 496e8dcd87d55bdb58a4e215dc05736f [0,2,0,0,0,0|2,0,0]=4 15234 B13R0.202 COC(C)COCCCCCC(=O)O 191b99a1d5ff9281521f13e9cbc690cd [0,2,0,0,0,0|1,0,0]=3 15235 B13R0.202 COC(C)COCCCOCC(=O)O 249e157192fc72d330fd22a214293170 [0,2,0,0,0,0|2,0,0]=4 15236 B13R0.202 COC(C)COCCOCCC(=O)O 07942f53289d2a91ae957d8e9f17cdba [0,2,0,0,0,0|2,0,0]=4 15237 B13R0.202 CO[C@@H](C)CNCCCCCC(=O)C c4b63649ea981a1b12a19d2f8194918e [0,2,0,0,0,0|2,0,0]=4 15238 B13R0.202 CO[C@@H](C)CNCCCCCC(=O)N 5af32c341198c30705e6961bcd8bff7b [0,2,0,0,0,0|2,0,0]=4 15239 B13R0.202 CO[C@@H](C)CNCCCCCC(=O)O 29f39aa887fe70a215f8274ff16a72ea [0,2,0,0,0,0|1,0,0]=3 15240 B13R0.202 CO[C@@H](C)CNCCCOCC(=O)O eed8559b537d6b755a5120b66994c263 [0,2,0,0,0,0|2,0,0]=4 15241 B13R0.202 CO[C@@H](C)CNCCOCCC(=O)O 507c4bce71ece86092162c4df97d521e [0,2,0,0,0,0|2,0,0]=4 15242 B13R0.202 CO[C@@H](C)COCCCCCC(=O)C 82de2721a940ccd84fd3bece4d73629e [0,2,0,0,0,0|2,0,0]=4 15243 B13R0.202 CO[C@@H](C)COCCCCCC(=O)N 87bebac4e1e9e003ef26a5a89defaa70 [0,2,0,0,0,0|2,0,0]=4 15244 B13R0.202 CO[C@@H](C)COCCCCCC(=O)O 09c6f89eae9092e0527d37331f789f94 [0,2,0,0,0,0|1,0,0]=3 15245 B13R0.202 CO[C@@H](C)COCCCOCC(=O)O ac5e442329a738cea2e6aca268bfb48b [0,2,0,0,0,0|2,0,0]=4 15246 B13R0.202 CO[C@@H](C)COCCOCCC(=O)O 4033d536d39a8f0d98205df5c8c58baf [0,2,0,0,0,0|2,0,0]=4 15247 B13R0.202 CO[C@H](C)CNCCCCCC(=O)C ab4449e9d1ef72329ae6a702a5ce9241 [0,2,0,0,0,0|2,0,0]=4 15248 B13R0.202 CO[C@H](C)CNCCCCCC(=O)N becfdd3c998b4ecc74afab5b942eda65 [0,2,0,0,0,0|2,0,0]=4 15249 B13R0.202 CO[C@H](C)CNCCCCCC(=O)O d9964b1577c2647c5ffa7223972ee4df [0,2,0,0,0,0|1,0,0]=3 15250 B13R0.202 CO[C@H](C)CNCCCOCC(=O)O 2baf7e90b19977e8eecead5607a6ed4d [0,2,0,0,0,0|2,0,0]=4 15251 B13R0.202 CO[C@H](C)CNCCOCCC(=O)O 744aafed5329f40f370ee16f775de203 [0,2,0,0,0,0|2,0,0]=4 15252 B13R0.202 CO[C@H](C)COCCCCCC(=O)C a68af72c63e08c67db1ec2443284d510 [0,2,0,0,0,0|2,0,0]=4 15253 B13R0.202 CO[C@H](C)COCCCCCC(=O)N fa47187b4e0c2f9ad3462a0db39efcb1 [0,2,0,0,0,0|2,0,0]=4 15254 B13R0.202 CO[C@H](C)COCCCCCC(=O)O db2c3dced805e51d89a9422cb9b32cd6 [0,2,0,0,0,0|1,0,0]=3 15255 B13R0.202 CO[C@H](C)COCCCOCC(=O)O e3735b292d6186ae4a277706cda8649e [0,2,0,0,0,0|2,0,0]=4 15256 B13R0.202 CO[C@H](C)COCCOCCC(=O)O 65d8499ae47e0950f8fe97697556bfc3 [0,2,0,0,0,0|2,0,0]=4 15257 B13R0.202 C[C@@H](CO)CCNCCCCC(=O)N 1de6254ec1d66e2d5c27a1ad39758124 [0,2,0,0,0,0|2,0,0]=4 15258 B13R0.202 C[C@@H](CO)CCNCCCCC(=O)O ddec7b338090cfcf2a6fea5fee069620 [0,2,0,0,0,0|1,0,0]=3 15259 B13R0.202 C[C@@H](CO)CCNCCOCC(=O)O e6b77882e60e5e1149dcbe25d105a527 [0,2,0,0,0,0|2,0,0]=4 15260 B13R0.202 C[C@@H](CO)CNCCCCCC(=O)N 83f04a8c50ebc3cdb20e1a07e61e3693 [0,2,0,0,0,0|2,0,0]=4 15261 B13R0.202 C[C@@H](CO)CNCCCCCC(=O)O 4482fe961e2669bc539d651c77c95a82 [0,2,0,0,0,0|1,0,0]=3 15262 B13R0.202 C[C@@H](CO)CNCCOCCC(=O)O f54efd46fbfcc64c1c0fdf776ca38ebe [0,2,0,0,0,0|2,0,0]=4 15263 B13R0.202 C[C@@H](CO)NCCCCCCC(=O)O ac6e10024158808167508fd407d10a6a [0,2,0,0,0,0|1,0,0]=3 15264 B13R0.202 C[C@@H](O)CCCCNCCC(=O)NO 9082aab6154d1cc1da592f0fe9e0c84d [0,2,0,0,0,0|1,0,0]=3 15265 B13R0.202 C[C@H](C=O)NCCCCCCC(=O)O 401f45c2a5e5ff58b4ca259c9d5dfddf [0,2,0,0,0,0|1,0,0]=3 15266 B13R0.202 C[C@H](C=O)OCCCCCCC(=O)N 5566a4fac5e2440b1bfabaa96811ed90 [0,2,0,0,0,0|2,0,0]=4 15267 B13R0.202 C[C@H](C=O)OCCCCCCC(=O)O 3c789218baff8416d25df1b7694ea088 [0,2,0,0,0,0|1,0,0]=3 15268 B13R0.202 C[C@H](CO)CNCCCCCC(=O)N aeca3eeede8aa63bcd8cfe6799fbb137 [0,2,0,0,0,0|2,0,0]=4 15269 B13R0.202 C[C@H](CO)CNCCCCCC(=O)O 57908a2065a75da3261b579654e13cbb [0,2,0,0,0,0|1,0,0]=3 15270 B13R0.202 C[C@H](CO)CNCCCOCC(=O)O e8fba4a6a133b77cb243598c683ccda3 [0,2,0,0,0,0|2,0,0]=4 15271 B13R0.202 C[C@H](CO)CNCCOCCC(=O)O 493ee793b7deee1b6434ca5be38ce3a3 [0,2,0,0,0,0|2,0,0]=4 15272 B13R0.202 C[C@H](CO)NCCCCCCC(=O)O 0a184ef45237c847d9466ed6cc2bede5 [0,2,0,0,0,0|1,0,0]=3 15273 B13R0.202 NC(=O)CCCCCNCC(Br)CBr 914538244c121924c6a0e05cd4a6d940 [0,2,0,0,0,0|2,0,0]=4 15274 B13R0.202 NC(=O)CCCCCNCC(F)CO cd76a149b6bb1f90b7d00b70af7f8350 [0,2,0,0,0,0|2,0,0]=4 15275 B13R0.202 NC(=O)CCCCCNCC(O)CF f3f6d0b658e5ae5888885bd4dac5d035 [0,2,0,0,0,0|2,0,0]=4 15276 B13R0.202 NC(=O)CCCCCNCC(O)CO e5448767ce2d5b9d3fa856abde0b3d5a [0,2,0,0,0,0|2,0,0]=4 15277 B13R0.202 NC(=O)CCCCCNC[C@@H](F)CO 84e4267441c00039aae9814d90e06349 [0,2,0,0,0,0|2,0,0]=4 15278 B13R0.202 NC(=O)CCCCCNC[C@@H](O)CO e8d506d07beab50039b7a6eb41f1b893 [0,2,0,0,0,0|2,0,0]=4 15279 B13R0.202 NC(=O)CCCCCNC[C@H](F)CO 6f33d6fe69a95e6465d38d7b1d2d1656 [0,2,0,0,0,0|2,0,0]=4 15280 B13R0.202 NC(=O)CCCCCNC[C@H](O)CO 97d671ecd2e9b0b5e1b1e3b2f8929e37 [0,2,0,0,0,0|2,0,0]=4 15281 B13R0.202 NC(=O)CCCCCOCC(Br)CBr ae07123458d9b1706b562e1b80ead777 [0,2,0,0,0,0|2,0,0]=4 15282 B13R0.202 NC(=O)CCCCCOCC(Cl)CCl df942ba746255b8050de8908d79b782f [0,2,0,0,0,0|2,0,0]=4 15283 B13R0.202 NC(=O)CCCCCOCC(O)CO fdb020931f4674801f2f3e08cdd9b82a [0,2,0,0,0,0|2,0,0]=4 15284 B13R0.202 NC(=O)CCCCCOCC(S)CS 8adf0a4d79f145b208de6957456a0b66 [0,2,0,0,0,0|2,0,0]=4 15285 B13R0.202 NC(=O)CCCCCOC[C@@H](O)CO 5c0768b4e7c1d70fbcf2f306a04c1ed0 [0,2,0,0,0,0|2,0,0]=4 15286 B13R0.202 NC(=O)CCCCCOC[C@H](O)CO 047b2be41d0dd5ca3a6fa388792edb3f [0,2,0,0,0,0|2,0,0]=4 15287 B13R0.202 NC(=O)CCCCNCCC(O)CO bea39bd07d47f3bf0bf71f735aaa4535 [0,2,0,0,0,0|2,0,0]=4 15288 B13R0.202 O=C(CNCCCCCC(F)F)NO 7e23d1665a6a52a5059c36151ef807c4 [0,2,0,0,0,0|2,0,0]=4 15289 B13R0.202 O=C(O)CCCCCNCC(=O)CO 6626f01d8077ec95536b0abc5d93e737 [0,2,0,0,0,0|1,0,1]=4 15290 B13R0.202 O=C(O)CCCCCNCC(F)CO 2cdf3fffbf4023ca57978b540d3546fd [0,2,0,0,0,0|1,0,0]=3 15291 B13R0.202 O=C(O)CCCCCNCC(O)CF bede126bc4d70d652cf5877f869f2e65 [0,2,0,0,0,0|1,0,0]=3 15292 B13R0.202 O=C(O)CCCCCNCC(O)CO eda44635fc3751d268def47880945c9d [0,2,0,0,0,0|1,0,0]=3 15293 B13R0.202 O=C(O)CCCCCNC[C@@H](F)CO 9db1dd1c063dcd193493d3c67ba1dc90 [0,2,0,0,0,0|1,0,0]=3 15294 B13R0.202 O=C(O)CCCCCNC[C@@H](O)CO 7822b336a0c5f36e5e9d156a08f85048 [0,2,0,0,0,0|1,0,0]=3 15295 B13R0.202 O=C(O)CCCCCNC[C@H](F)CO d6365e9809ffac194d240493c54cb9b9 [0,2,0,0,0,0|1,0,0]=3 15296 B13R0.202 O=C(O)CCCCCNC[C@H](O)CO dacabcee052f939be63e1b2a3a7ab299 [0,2,0,0,0,0|1,0,0]=3 15297 B13R0.202 O=C(O)CCCCCOCC(O)CO a036febc400a4339a6874dc2672dc3ef [0,2,0,0,0,0|1,0,0]=3 15298 B13R0.202 O=C(O)CCCCCOC[C@@H](O)CO 271dab07230797cdd7c4f1c3949b2d0c [0,2,0,0,0,0|1,0,0]=3 15299 B13R0.202 O=C(O)CCCCCOC[C@H](O)CO 0a7cb9da3dc21a52090065ddf0b9e48c [0,2,0,0,0,0|1,0,0]=3 15300 B13R0.202 O=C(O)CCCCNCCC(O)CO 8a1f9d4826b4714fd796e1dfb85506d4 [0,2,0,0,0,0|1,0,0]=3 15301 B13R0.202 O=C(O)CCOCCNCC(Br)CBr 2e23fa10a632f099c956d0bde54ea055 [0,2,0,0,0,0|2,0,0]=4 15302 B13R0.202 O=C(O)CCOCCNCC(F)CO db448abfd12db09a19767a063e59d59e [0,2,0,0,0,0|2,0,0]=4 15303 B13R0.202 O=C(O)CCOCCNCC(O)CF bc0d07d46f34cd52195babf3f7e9ac1a [0,2,0,0,0,0|2,0,0]=4 15304 B13R0.202 O=C(O)CCOCCNCC(O)CO 5f7a5d113642bc4321a5424da413ea82 [0,2,0,0,0,0|2,0,0]=4 15305 B13R0.202 O=C(O)CCOCCNC[C@@H](F)CO a9e85cb2807b5821e9de34b7247a57ee [0,2,0,0,0,0|2,0,0]=4 15306 B13R0.202 O=C(O)CCOCCNC[C@@H](O)CO e19911266f0e69a6234d36ed51a06269 [0,2,0,0,0,0|2,0,0]=4 15307 B13R0.202 O=C(O)CCOCCNC[C@H](F)CO 184212f3421ee35fa9a5891afe2c19e1 [0,2,0,0,0,0|2,0,0]=4 15308 B13R0.202 O=C(O)CCOCCNC[C@H](O)CO 3e35547e999f5b46b150c9ca594a75a3 [0,2,0,0,0,0|2,0,0]=4 15309 B13R0.202 O=C(O)CCOCCOCC(Br)CBr be8cd7963a2bd6cab1d60834b11580f1 [0,2,0,0,0,0|2,0,0]=4 15310 B13R0.202 O=C(O)CCOCCOCC(Cl)CCl bdd1e1546e635fa48c447cff53e9597b [0,2,0,0,0,0|2,0,0]=4 15311 B13R0.202 O=C(O)CCOCCOCC(O)CO 90ba221ac77fcb91205a7da5fa261061 [0,2,0,0,0,0|2,0,0]=4 15312 B13R0.202 O=C(O)CCOCCOCC(S)CS 10da075f32393bc25e7f8e19b55ee936 [0,2,0,0,0,0|2,0,0]=4 15313 B13R0.202 O=C(O)CCOCCOC[C@@H](O)CO 143f509020add6814f82082e6dc01b43 [0,2,0,0,0,0|2,0,0]=4 15314 B13R0.202 O=C(O)CCOCCOC[C@H](O)CO 6a6ebd83f3a3fd4eda236a7c6863e6bc [0,2,0,0,0,0|2,0,0]=4 15315 B13R0.202 O=C(O)COCCCNCC(Br)CBr 1889376aa23c4471765c58db34aedc22 [0,2,0,0,0,0|2,0,0]=4 15316 B13R0.202 O=C(O)COCCCNCC(F)CO dbd3eecbb8920fd94ef13ab02b6ce286 [0,2,0,0,0,0|2,0,0]=4 15317 B13R0.202 O=C(O)COCCCNCC(O)CO 4d8b3d6ac6b48ef39bc32d2286c4d408 [0,2,0,0,0,0|2,0,0]=4 15318 B13R0.202 O=C(O)COCCCNC[C@@H](F)CO 4baafa5456a328ce5d2e26b5a39ccc1b [0,2,0,0,0,0|2,0,0]=4 15319 B13R0.202 O=C(O)COCCCNC[C@@H](O)CO dfeaf5a9ae15215f209f7062d62bdd01 [0,2,0,0,0,0|2,0,0]=4 15320 B13R0.202 O=C(O)COCCCNC[C@H](F)CO 75c01d6eb366ef75874c2b60c46a649c [0,2,0,0,0,0|2,0,0]=4 15321 B13R0.202 O=C(O)COCCCNC[C@H](O)CO cf747df483b465f46adf01f540d230ab [0,2,0,0,0,0|2,0,0]=4 15322 B13R0.202 O=C(O)COCCCOCC(Cl)CCl ae3902f1fca083790f8a776d80ea6c1c [0,2,0,0,0,0|2,0,0]=4 15323 B13R0.202 O=C(O)COCCCOCC(S)CS f102118adf1734e202369e7b49fd7be1 [0,2,0,0,0,0|2,0,0]=4 15324 B13R0.202 O=C(O)COCCNCCC(O)CO cc525778c2f76068c63451dbd247cc95 [0,2,0,0,0,0|2,0,0]=4 15325 B13R0.2 C#CCC(=O)NCCCCCCCC e26c2c2635eea3a182605ecc56fe5247 [0,2,0,0,0,0|2,0,0]=4 15326 B13R0.2 C/C=C/C(=O)NCCCCCCCC 3dd15d0b590db7ea3e102a6d446391ec [0,2,0,0,0,0|2,0,0]=4 15327 B13R0.2 C=CCC(=O)NCCCCCCCC 102aed6f3e91e8f126480cf9dd3c0b08 [0,2,0,0,0,0|2,0,0]=4 15328 B13R0.2 C=COC(=O)CNCCCCCCC 7a7f897e4d29b92836b88a300e5dbdf0 [0,2,0,0,0,0|1,0,0]=3 15329 B13R0.2 C=COC(=O)CNCCCCCCCl 9b20e5761d28e47336b2ef5a8e31c6d6 [0,2,0,0,0,0|2,0,0]=4 15330 B13R0.2 C=COC(=O)CNCCCCCCO be3bbb7f67b5177259364c2a94d13ecf [0,2,0,0,0,0|2,0,0]=4 15331 B13R0.2 C=COC(=O)CNCCCCCOC 3f437d7b3b39e295f32b704fd66ecd5a [0,2,0,0,0,0|2,0,0]=4 15332 B13R0.2 C=COC(=O)CNCCCCSCC 9af09a38af24eef93cf47b11d8933296 [0,2,0,0,0,0|2,0,0]=4 15333 B13R0.2 C=COC(=O)CNCCCOCCC 5c7e3798c8b9ec7d4feaa85dd1a323cc [0,2,0,0,0,0|2,0,0]=4 15334 B13R0.2 C=COC(=O)CNCCOCCCC fb0dbe403c0b14aae2460798c2f9037b [0,2,0,0,0,0|2,0,0]=4 15335 B13R0.2 C=COC(=O)COCCCCCCC aa79b37c9366688e412478407d3ef587 [0,2,0,0,0,0|1,0,0]=3 15336 B13R0.2 C=COC(=O)COCCCCCCF c767de2f7caa16b49dfaa9bda0f57710 [0,2,0,0,0,0|2,0,0]=4 15337 B13R0.2 C=COC(=O)COCCCCCCS c7482b3d08ea0e0c113a6681a33974ba [0,2,0,0,0,0|2,0,0]=4 15338 B13R0.2 C=COC(=O)COCCOCCCC a42383b579ab2c5df78c79648b226983 [0,2,0,0,0,0|2,0,0]=4 15339 B13R0.2 C=COC(=O)COCCSCCCC 499d5138531462ea77458c7411ca29c2 [0,2,0,0,0,0|2,0,0]=4 15340 B13R0.2 CC#CC(=O)NCCCCCCCC 98000cce8a55556eb952a198616ee90f [0,2,0,0,0,0|2,0,0]=4 15341 B13R0.2 CCCCCCCCCC(=O)NC#N b4b6435682c37fc8fbae757aa7b26c50 [0,2,0,0,0,0|1,0,0]=3 15342 B13R0.2 CCCCCCCCCC(C)OCC 7a0341b8dd17316efdf4f1cab1c9b4d8 [0,2,0,0,0,0|1,0,1]=4 15343 B13R0.2 CCCCCCCCCC(C)OCF 3f7c3c73009d111994e17002f7a1aa42 [0,2,0,0,0,0|1,0,1]=4 15344 B13R0.2 CCCCCCCCCN(C)CC=O be51d1783974737cf1b2336405d1cec0 [0,2,0,0,0,0|2,0,0]=4 15345 B13R0.2 CCCCCCCCCN(C)CCO e86a6ec2d45cc3087c2f98ff67146fe4 [0,2,0,0,0,0|2,0,0]=4 15346 B13R0.2 CCCCCCCCCN(C)COC 109463908101ed291492e18ca8421e24 [0,2,0,0,0,0|2,0,0]=4 15347 B13R0.2 CCCCCCCCC[C@@H](C)OCC da8c08fd7fd32791b035c43a670549d7 [0,2,0,0,0,0|1,0,1]=4 15348 B13R0.2 CCCCCCCCC[C@@H](C)OCF 926199d481a6f4a55efe9b230bd8edfd [0,2,0,0,0,0|1,0,1]=4 15349 B13R0.2 CCCCCCCCNC(=O)/C=C/Br a3c589eafbf6fb29175163174ac0dc5c [0,2,0,0,0,0|2,0,0]=4 15350 B13R0.2 CCCCCCCCNC(=O)/C=C/Cl 719b28eefd01a2cd3e0fa0c02e0b9fd2 [0,2,0,0,0,0|2,0,0]=4 15351 B13R0.2 CCCCCCCCNC(=O)/C=C/I 8bfc065b7a760d102e13bde4f9736eff [0,2,0,0,0,0|2,0,0]=4 15352 B13R0.2 CCCCCCCCNC(=O)/C=C\Br 21309ea81b5f44a8e2141cd4ad099358 [0,2,0,0,0,0|2,0,0]=4 15353 B13R0.2 CCCCCCCCNC(=O)/C=C\Cl 30883b264c0734ae5bd1de1280a0d9db [0,2,0,0,0,0|2,0,0]=4 15354 B13R0.2 CCCCCCCCNC(=O)/C=C\I d22667d3c63f5d44054f677649b7ec2f [0,2,0,0,0,0|2,0,0]=4 15355 B13R0.2 CCCCCCCCNC(=O)C#CBr af4efe5397981fda4ec0cca180e46945 [0,2,0,0,0,0|2,0,0]=4 15356 B13R0.2 CCCCCCCCNC(=O)C=CBr 843558a3a8466dd08eef7f937db2e12d [0,2,0,0,0,0|2,0,0]=4 15357 B13R0.2 CCCCCCCCNC(=O)C=CI 2e017ea87837b29289ed14a1fc502a9c [0,2,0,0,0,0|2,0,0]=4 15358 B13R0.2 CCCCCCCCNC(=O)CC#N 35ba1715e4622d40e401d6bceccb4497 [0,2,0,0,0,0|2,0,0]=4 15359 B13R0.2 CCCCCCCCNC(=O)CC=O 504a27d86363d5855713a2863576b560 [0,2,0,0,0,0|1,0,1]=4 15360 B13R0.2 CCCCCCCCNC(=O)CCC fd52ed268219c9eaea5cd0bca1a7b45c [0,2,0,0,0,0|2,0,0]=4 15361 B13R0.2 CCCCCCCCNC(=O)CCF 6d629f7ee7e2b72201f8fad37bd41aa1 [0,2,0,0,0,0|2,0,0]=4 15362 B13R0.2 CCCCCCCCNC(=O)CCO 7fe058f70c6f82e7e9341a5e811579fc [0,2,0,0,0,0|1,0,0]=3 15363 B13R0.2 CCCCCCCCNC(=O)CCS 770be40da0b567b4b557389280374fe8 [0,2,0,0,0,0|1,1,0]=4 15364 B13R0.2 CCCCCCCCNC(=O)COC 47f1d49276911c281e4e5d8541e891e0 [0,2,0,0,0,0|1,0,0]=3 15365 B13R0.2 CCCCCCCCNC(=O)CON 32b3d3016e866a217a7c784de0417fc1 [0,2,0,0,0,0|1,0,0]=3 15366 B13R0.2 CCCCCCCCNC(=O)CSC c8478f9ddd59a60ba0eb77e2fde87af1 [0,2,0,0,0,0|1,1,0]=4 15367 B13R0.2 CCCCCCCCNC(=O)NC#N 2ccc79e5027a8eb72f6c34bb5aa17a0d [0,2,0,0,0,0|2,0,0]=4 15368 B13R0.2 CCCCCCCNCC(=O)CCC 4eaa96e38cafce43b712582bc5131cdd [0,2,0,0,0,0|2,0,0]=4 15369 B13R0.2 CCCCCCCNCC(=O)COC 00a49161b46d585bb8c6643b00c1eee6 [0,2,0,0,0,0|1,0,0]=3 15370 B13R0.2 CCCCCCCNCC(=O)NCC 927bd34618f78b5d148fd000def32111 [0,2,0,0,0,0|2,0,0]=4 15371 B13R0.2 CCCCCCCNCC(=O)NCO 6f1d7119df21f754ee7dfc5a62eb1105 [0,2,0,0,0,0|1,0,0]=3 15372 B13R0.2 CCCCCCCNCC(=O)OCC abd85a7e37601b1753a0da1ffad8260f [0,2,0,0,0,0|1,0,0]=3 15373 B13R0.2 CCCCCCCOCC(=O)CCC e7a4ea2034eba7858b1da433f42e5b37 [0,2,0,0,0,0|2,0,0]=4 15374 B13R0.2 CCCCCCCOCC(=O)COC 3ec9fc8695c5218e1de632417c2b4180 [0,2,0,0,0,0|1,0,0]=3 15375 B13R0.2 CCCCCCCOCC(=O)NCC ca5053b06d2062fa5e184426c216fc0e [0,2,0,0,0,0|2,0,0]=4 15376 B13R0.2 CCCCCCCOCC(=O)OCC 4a05e6b375ec7268012afe5b15ef0517 [0,2,0,0,0,0|1,0,0]=3 15377 B13R0.2 CCCCCCNCCC(=O)NCC 47ad628fd5a43b3b16a35d82def183ec [0,2,0,0,0,0|2,0,0]=4 15378 B13R0.2 CCCCCCNCCC(=O)OCC aff4c424081f16a0015b47b5c232fbec [0,2,0,0,0,0|1,0,0]=3 15379 B13R0.2 CCCCCCNCOC(=O)OCC 2ed6191aaa975defd5b3aff84168c385 [0,2,0,0,0,0|2,0,0]=4 15380 B13R0.2 CCCCCCOCCC(=O)NCC 2432b3fb2bfaa47ab50e1fa11b0a3781 [0,2,0,0,0,0|2,0,0]=4 15381 B13R0.2 CCCCCCOCCC(=O)OCC e54f3ab4d73e5d613afa1b2c27111033 [0,2,0,0,0,0|1,0,0]=3 15382 B13R0.2 CCCCCCOCOC(=O)OCC eafccfdaff2b2a4e9b3584568c95869c [0,2,0,0,0,0|2,0,0]=4 15383 B13R0.2 CCCCCNCCCC(=O)OCC 0df93ab1587649687a4df691133aff68 [0,2,0,0,0,0|1,0,0]=3 15384 B13R0.2 CCCCCOCCCC(=O)OCC 35ede942d9fb4c8f0cd553d34e8d4c7e [0,2,0,0,0,0|1,0,0]=3 15385 B13R0.2 CCCCNCCCCC(=O)OCC ddf10fa62cd2dab558dd66df1e4ec875 [0,2,0,0,0,0|1,0,0]=3 15386 B13R0.2 CCCCNCCCCS(=O)CCO 2ec0364285aa91e40f5030d9571a992d [0,2,0,0,0,0|2,0,0]=4 15387 B13R0.2 CCCCOCCCCC(=O)OCC 2e19a20ec679fd1dc5239d756f3abbd1 [0,2,0,0,0,0|1,0,0]=3 15388 B13R0.2 CCCCOCCCNC(=O)CCO 510f01d26553fe0c21a83dd971cb72d5 [0,2,0,0,0,0|2,0,0]=4 15389 B13R0.2 CCCCOCCCNC(=O)COC 693e843cc58dd5fdcb04a0ef3c350060 [0,2,0,0,0,0|2,0,0]=4 15390 B13R0.2 CCCCOCCCNC(=O)CON 2b93cbfd5e34473b5808c38a8d1954f0 [0,2,0,0,0,0|2,0,0]=4 15391 B13R0.2 CCCCOCCNCC(=O)COC b2e5c1af095e221756e783fbbd136e14 [0,2,0,0,0,0|2,0,0]=4 15392 B13R0.2 CCCCOCCNCC(=O)NCO f137c127a7b3f8441b92a2fb06ab80cc [0,2,0,0,0,0|2,0,0]=4 15393 B13R0.2 CCCCOCCNCC(=O)OCC 95f9cc46667b42d25e20cce8c692da5f [0,2,0,0,0,0|2,0,0]=4 15394 B13R0.2 CCCCOCCOCC(=O)COC 6bcb033c28459ad60149a9ea44a51917 [0,2,0,0,0,0|2,0,0]=4 15395 B13R0.2 CCCCOCCOCC(=O)OCC da37a26050796aa99dfde3b3c80011a0 [0,2,0,0,0,0|2,0,0]=4 15396 B13R0.2 CCCCOCNCCC(=O)OCC d137331dc9321ef95757ecc5ac6a17af [0,2,0,0,0,0|2,0,0]=4 15397 B13R0.2 CCCCOCOCCC(=O)OCC d636ad56c77203e85ed53e615abc1cfe [0,2,0,0,0,0|2,0,0]=4 15398 B13R0.2 CCCCSCCOCC(=O)COC 5cc0a90530fd102ecc7a8c1553dcef72 [0,2,0,0,0,0|2,0,0]=4 15399 B13R0.2 CCCCSCCOCC(=O)OCC 0dde3ebfaf53f2e0d736609af9408c53 [0,2,0,0,0,0|2,0,0]=4 15400 B13R0.2 CCCNCCCCCC(=O)OCC 2155c8508ea1d0a2cfa86b886eb73ca1 [0,2,0,0,0,0|1,0,0]=3 15401 B13R0.2 CCCNCCCOCC(=O)OCC 95c6f0fb32318675d666a7816b7fdc6e [0,2,0,0,0,0|2,0,0]=4 15402 B13R0.2 CCCOCCCCCC(=O)OCC 5ba0b8140b4acc736192f8bf133c0100 [0,2,0,0,0,0|1,0,0]=3 15403 B13R0.2 CCCOCCCNCC(=O)COC 9bf0f97b73ce002716ed88cfd5513bb1 [0,2,0,0,0,0|2,0,0]=4 15404 B13R0.2 CCCOCCCNCC(=O)NCO 21cc14baa5d6b9e839344106ebe1e89d [0,2,0,0,0,0|2,0,0]=4 15405 B13R0.2 CCCOCCCNCC(=O)OCC c31792c8623180e2b467ed3d101bd735 [0,2,0,0,0,0|2,0,0]=4 15406 B13R0.2 CCCOCCCOCC(=O)OCC ceceb5500726d3b7b6cec5cf17990f0e [0,2,0,0,0,0|2,0,0]=4 15407 B13R0.2 CCCOCCNCCC(=O)OCC 84eb0a84a4e2909b91906d62a33f1571 [0,2,0,0,0,0|2,0,0]=4 15408 B13R0.2 CCCOCCOCCC(=O)OCC cd230f7dfed2296ca35b00d4d0cc7c38 [0,2,0,0,0,0|2,0,0]=4 15409 B13R0.2 CCCSCCCCNC(=O)CCO 8bf683e6d44902a3709a1d6e891eeaa0 [0,2,0,0,0,0|2,0,0]=4 15410 B13R0.2 CCCSCCCCNC(=O)COC 7d7f1ef87f018886e82bd2448bc48244 [0,2,0,0,0,0|2,0,0]=4 15411 B13R0.2 CCCSCCCCNC(=O)CON 1fd641626858ad30178729b1b5aefa6e [0,2,0,0,0,0|2,0,0]=4 15412 B13R0.2 CCCSCCOCCC(=O)OCC 0f8d7b8d008cc5f3c98605b920ff126f [0,2,0,0,0,0|2,0,0]=4 15413 B13R0.2 CCOC(=O)CCCCCCOCF 92b76ca30a7cdb84af99f5bf141b6f50 [0,2,0,0,0,0|2,0,0]=4 15414 B13R0.2 CCOC(=O)CCCCCNCCBr ef525ff9968f6e776c7d39eaae17ce93 [0,2,0,0,0,0|2,0,0]=4 15415 B13R0.2 CCOC(=O)CCCCCNCCF 58a678ca865dca7d0d63d8ac51ec7bc5 [0,2,0,0,0,0|2,0,0]=4 15416 B13R0.2 CCOC(=O)CCCCCNCCI 1d387235d8cfc47729661037377b3c0f [0,2,0,0,0,0|2,0,0]=4 15417 B13R0.2 CCOC(=O)CCCCCNCCO eca6623380f493aa84454013352563e9 [0,2,0,0,0,0|2,0,0]=4 15418 B13R0.2 CCOC(=O)CCCCCNCCS cef98a4b65678792c080f373bad86372 [0,2,0,0,0,0|2,0,0]=4 15419 B13R0.2 CCOC(=O)CCCCCNCOC f38c347551b706641ea0781c89fceeb3 [0,2,0,0,0,0|2,0,0]=4 15420 B13R0.2 CCOC(=O)CCCCCNCSC 47c1a6fcd6025c80805102d75269151f [0,2,0,0,0,0|2,0,0]=4 15421 B13R0.2 CCOC(=O)CCCCCOCCF 480428ebedf70f52bd1ba6579da10b0d [0,2,0,0,0,0|2,0,0]=4 15422 B13R0.2 CCOC(=O)CCCCCOCCS 3272057e46dc6dc74140dbcf04f6a028 [0,2,0,0,0,0|2,0,0]=4 15423 B13R0.2 CCOC(=O)CCCCCOCOC f38e8e5f6a44084b41b76999c9f54395 [0,2,0,0,0,0|2,0,0]=4 15424 B13R0.2 CCOC(=O)CCCCCOCSC 9cced77e0b9596af92c29dea1f28294d [0,2,0,0,0,0|2,0,0]=4 15425 B13R0.2 CCOC(=O)CCCCNCCCCl 0d4d5f35a771026861f2cf4aca1e9569 [0,2,0,0,0,0|2,0,0]=4 15426 B13R0.2 CCOC(=O)CCCCNCCCO 0db48539e491619ebf8f8f24cb72fcd4 [0,2,0,0,0,0|2,0,0]=4 15427 B13R0.2 CCOC(=O)CCCCNCCOC 8fa61e3009e1444337c4244a2e2753f1 [0,2,0,0,0,0|2,0,0]=4 15428 B13R0.2 CCOC(=O)CCCCNCCSC 55466f854699de556ba65bffe10bba30 [0,2,0,0,0,0|2,0,0]=4 15429 B13R0.2 CCOC(=O)CCCCOCCCF 86b07089034abe275f643801e6805623 [0,2,0,0,0,0|2,0,0]=4 15430 B13R0.2 CCOC(=O)CCCCOCCCS 37cb434a0c1f2eb8f974792041831805 [0,2,0,0,0,0|2,0,0]=4 15431 B13R0.2 CCOC(=O)CCCCOCCOC cc29d85e7a850b676df932de9f373db2 [0,2,0,0,0,0|2,0,0]=4 15432 B13R0.2 CCOC(=O)CCCCOCCSC 2cf2f4189aa96a3f0f11962067de7848 [0,2,0,0,0,0|2,0,0]=4 15433 B13R0.2 CCOC(=O)CCCNCCCCCl ba03c4f0c2870cb0c4322e95218f2de3 [0,2,0,0,0,0|2,0,0]=4 15434 B13R0.2 CCOC(=O)CCCNCCCCF 2b60bde7dca983c8064895985de22c38 [0,2,0,0,0,0|2,0,0]=4 15435 B13R0.2 CCOC(=O)CCCNCCCCO 92d75774fdb6f432c8e223df6d33c0b9 [0,2,0,0,0,0|2,0,0]=4 15436 B13R0.2 CCOC(=O)CCCNCCCCS 46bc71ded023f66ea9cd84a0d70e4c4b [0,2,0,0,0,0|2,0,0]=4 15437 B13R0.2 CCOC(=O)CCCNCCCOC b895479824b2f52d3fd889dab866c6bf [0,2,0,0,0,0|2,0,0]=4 15438 B13R0.2 CCOC(=O)CCCNCCCSC bcd1e8acfb8eea0a421ada8daa3afdbe [0,2,0,0,0,0|2,0,0]=4 15439 B13R0.2 CCOC(=O)CCCNCCSCC 57f6ccc580a5efafe258c7e05d3c6fff [0,2,0,0,0,0|2,0,0]=4 15440 B13R0.2 CCOC(=O)CCCOCCCCF 1ceb1486c38ee8306378b638c85729b4 [0,2,0,0,0,0|2,0,0]=4 15441 B13R0.2 CCOC(=O)CCCOCCCCS 1f065fc4377665f4bafa915f515b8e57 [0,2,0,0,0,0|2,0,0]=4 15442 B13R0.2 CCOC(=O)CCCOCCCOC c2143c3a517b69349774c70d0a3b7a18 [0,2,0,0,0,0|2,0,0]=4 15443 B13R0.2 CCOC(=O)CCCOCCCSC 19c799cb8ae64afaa05e1d48456832cc [0,2,0,0,0,0|2,0,0]=4 15444 B13R0.2 CCOC(=O)CCCOCCSCC bc0bec0f3238d4b33ae2d87d96609463 [0,2,0,0,0,0|2,0,0]=4 15445 B13R0.2 CCOC(=O)CCNCCCCCCl fb469e7ec07b2fd8ad837c815bf0670c [0,2,0,0,0,0|2,0,0]=4 15446 B13R0.2 CCOC(=O)CCNCCCCCF 8eccf9e6b84924a5a1650d1ddb9d4df2 [0,2,0,0,0,0|2,0,0]=4 15447 B13R0.2 CCOC(=O)CCNCCCCCO 177d79493cbe7b6252b8632e436ef214 [0,2,0,0,0,0|2,0,0]=4 15448 B13R0.2 CCOC(=O)CCNCCCCOC 6d91180a081efc2e220ac501e4b8a9e9 [0,2,0,0,0,0|2,0,0]=4 15449 B13R0.2 CCOC(=O)CCNCCCCSC 9a7a3718c26cd76adc571c20f5aa49f8 [0,2,0,0,0,0|2,0,0]=4 15450 B13R0.2 CCOC(=O)CCNCCCSCC 03e29fb101b4ef6eb40549b100f2f1cb [0,2,0,0,0,0|2,0,0]=4 15451 B13R0.2 CCOC(=O)CCOCCCCCF 84a465b84f6384f905ce1758499430dd [0,2,0,0,0,0|2,0,0]=4 15452 B13R0.2 CCOC(=O)CCOCCCCOC dcbbc3a5d8934a4e6dec1623edc0648a [0,2,0,0,0,0|2,0,0]=4 15453 B13R0.2 CCOC(=O)CCOCCCCSC 5a7ab5624e62ddfd7bd72bcba0c8f313 [0,2,0,0,0,0|2,0,0]=4 15454 B13R0.2 CCOC(=O)CCOCCCSCC 7f3845ba98a71ff12b3ae9becc02020e [0,2,0,0,0,0|2,0,0]=4 15455 B13R0.2 CCOC(=O)CNCCCCCCCl e183d3377cbc5d5cfe302f04ade1525b [0,2,0,0,0,0|2,0,0]=4 15456 B13R0.2 CCOC(=O)CNCCCCCCF 9c7b3ac33ba7d4e72f32dbbf54b9d9ea [0,2,0,0,0,0|2,0,0]=4 15457 B13R0.2 CCOC(=O)CNCCCCCCO 2ab38fc69ba7745cc7e2ec867ea3986f [0,2,0,0,0,0|2,0,0]=4 15458 B13R0.2 CCOC(=O)CNCCCCCOC 89d5e5a744e3752c37074ca0be03333a [0,2,0,0,0,0|2,0,0]=4 15459 B13R0.2 CCOC(=O)CNCCCCSCC c74158c532cd088ab41a222392e344e6 [0,2,0,0,0,0|2,0,0]=4 15460 B13R0.2 CCOC(=O)COCCCCCCF 726acd625c604cb3966b769d2594ebab [0,2,0,0,0,0|2,0,0]=4 15461 B13R0.2 CCOC(=O)COCCCCCCS ded517fb7a162351c96ac923da6cfaaa [0,2,0,0,0,0|2,0,0]=4 15462 B13R0.2 CCOC(=O)COCCCCCOC ee6a56394b4514d5e2ef6b9ac93177a5 [0,2,0,0,0,0|2,0,0]=4 15463 B13R0.2 CCOCCCCCCC(=O)OCC 369101502abbabdd99c66bce4dd9ee99 [0,2,0,0,0,0|1,0,0]=3 15464 B13R0.2 CCOCCCNCCC(=O)OCC 0dbb784f5ff206b8c6c39f556c7f6824 [0,2,0,0,0,0|2,0,0]=4 15465 B13R0.2 CCOCCCOCCC(=O)OCC f04b40b57cadbdbbc916aaf4620e3fca [0,2,0,0,0,0|2,0,0]=4 15466 B13R0.2 CCOCCNCCCC(=O)OCC bc40fc703d5bac9e9aeaf9d005c39262 [0,2,0,0,0,0|2,0,0]=4 15467 B13R0.2 CCOCCOCCCC(=O)OCC 825f259187541cfd08d401ebe15df60e [0,2,0,0,0,0|2,0,0]=4 15468 B13R0.2 CCOCOCCCCC(=O)OCC e7ae20e52388d543a64157898c61897e [0,2,0,0,0,0|2,0,0]=4 15469 B13R0.2 CCSCCCCNCC(=O)COC 5526eeab82a8fb3d59791e13e35ffbc5 [0,2,0,0,0,0|2,0,0]=4 15470 B13R0.2 CCSCCCCNCC(=O)NCO f9a0254439ea0c7e66f93c2d6d7416ba [0,2,0,0,0,0|2,0,0]=4 15471 B13R0.2 COCC(=O)CNCCCCCCCl d85e92ec80c610c510ecd9951e0d4e6d [0,2,0,0,0,0|2,0,0]=4 15472 B13R0.2 COCC(=O)CNCCCCCCO d059aaa69c5b3a9748970b2ad5c3af9a [0,2,0,0,0,0|2,0,0]=4 15473 B13R0.2 COCC(=O)COCCCCCCF 24ae892c96cdfb4ecff4e4e7785c5923 [0,2,0,0,0,0|2,0,0]=4 15474 B13R0.2 COCC(=O)COCCCCCCS d2105604e1fbc54b189e36d73236cdcc [0,2,0,0,0,0|2,0,0]=4 15475 B13R0.2 COCC(=O)NCCCCCCCO 1ea0500e0cbf2d54c18b4d34e33227a5 [0,2,0,0,0,0|2,0,0]=4 15476 B13R0.2 COCCCCCNCC(=O)COC 6928b7e488d1e7b08d0e47c930fabeac [0,2,0,0,0,0|2,0,0]=4 15477 B13R0.2 COCCCCCNCC(=O)NCO 9ffe183eefa75031285d0d57c5ffa45f [0,2,0,0,0,0|2,0,0]=4 15478 B13R0.2 N#CNC(=O)CCCCCCCCO 0ff264a44e906de6b8d2f9735f66c49e [0,2,0,0,0,0|2,0,0]=4 15479 B13R0.2 N#CNC(=O)CCCCCCCCS 8583b3b09ef5689c95ff2e10ed189c82 [0,2,0,0,0,0|2,0,0]=4 15480 B13R0.2 NOCC(=O)NCCCCCCCO 16abe26afde3520697583bac4f2e5a53 [0,2,0,0,0,0|2,0,0]=4 15481 B13R0.2 O=C(CCO)NCCCCCCCO 5e13475730ccd5c3cfa6504ea455bcf3 [0,2,0,0,0,0|2,0,0]=4 15482 B13R0.2 O=C(CNCCCCCCCl)NCO 767953557fb7b3fcfcc0110034e4d8e1 [0,2,0,0,0,0|2,0,0]=4 15483 B13R0.2 O=C(CNCCCCCCO)NCO 6ce7ca084bce4c3a07abeab78b1fbaf9 [0,2,0,0,0,0|2,0,0]=4 15484 B13R0.87 C=C(COCCCC(C)CCC)OC 1009ba6d5782730b6f63160ce4894281 [0,2,0,0,0,0|2,0,0]=4 15485 B13R0.87 C=CC(=O)CCCNCC(O)CCC 8d360be5e5d3c3f604cbc6aa5a490dc2 [0,2,0,0,0,0|2,0,0]=4 15486 B13R0.87 C=CC(=O)CCCOCC(C)CCC 5272841df350c92b1d98cb63dfce040d [0,2,0,0,0,0|2,0,0]=4 15487 B13R0.87 CCCC(=O)CNCCCC(=O)OC 980ede291cfd727236289bb1142293b3 [0,2,0,0,0,0|1,0,1]=4 15488 B13R0.87 CCCC(=O)NCCCCC(=O)OC d0170e7fa5147a40247cb581f584085c [0,2,0,0,0,0|1,0,1]=4 15489 B13R0.87 CCCC(=S)OCCCCC(=O)OC 8e2803313fbc6e9ae079df1b59ee7057 [0,2,0,0,0,0|1,0,1]=4 15490 B13R0.87 CCCC(C)CCCOCC(=O)CC fb57b64bc2cec0b3d8e2d7ee02de4412 [0,2,0,0,0,0|2,0,0]=4 15491 B13R0.87 CCCC(C)CCCOCC(=O)NC 0d5fba1302fd5c27e7550d481eed6e81 [0,2,0,0,0,0|2,0,0]=4 15492 B13R0.87 CCCC(C)CCCOCC(=O)OC 2fa4309a1ff398007da0826f8fae1bf6 [0,2,0,0,0,0|1,0,0]=3 15493 B13R0.87 CCCC(C)CCOCCC(=O)NC d86690284fd9521b041a19f1cb41063d [0,2,0,0,0,0|2,0,0]=4 15494 B13R0.87 CCCC(C)CCOCCC(=O)OC 24f8fb88e88f81d4f3b44e368c4fa5ea [0,2,0,0,0,0|1,0,0]=3 15495 B13R0.87 CCCC(C)CCOCOC(=O)OC 40e266ed4dbef7bfdd0d3671afd9f10d [0,2,0,0,0,0|2,0,0]=4 15496 B13R0.87 CCCC(C)CNCCCC(=O)OC fc00b5c8e16086cd06445534a98ac004 [0,2,0,0,0,0|1,0,0]=3 15497 B13R0.87 CCCC(C)COCCCC(=O)NC 4feb3954d95aaa4312233e3b66977b1c [0,2,0,0,0,0|2,0,0]=4 15498 B13R0.87 CCCC(C)COCCCC(=O)OC 08cd598533ad910139e70208fcd433f0 [0,2,0,0,0,0|1,0,0]=3 15499 B13R0.87 CCCC(C)COCCOC(=O)OC 09c80387933cac829714dc39537f11b8 [0,2,0,0,0,0|2,0,0]=4 15500 B13R0.87 CCCC(C)NCCCCC(=O)CC a397d56fe9a3c14f9cc059af112019ec [0,2,0,0,0,0|2,0,0]=4 15501 B13R0.87 CCCC(C)NCCCCC(=O)OC 79059fe006da6b9e5c1da7e98f375026 [0,2,0,0,0,0|1,0,0]=3 15502 B13R0.87 CCCC(C)NCCOCC(=O)OC 757e3055ee86affd972e3250b7e7b126 [0,2,0,0,0,0|2,0,0]=4 15503 B13R0.87 CCCC(C)OCCCCC(=O)CC 12bd6738c788391be023505fc7659cba [0,2,0,0,0,0|2,0,0]=4 15504 B13R0.87 CCCC(C)OCCCCC(=O)OC 0f69679e41e12e3ac2ffafb4ef93f930 [0,2,0,0,0,0|1,0,0]=3 15505 B13R0.87 CCCC(C)OCCOCC(=O)OC 5e28a203edb28d936e6a57ef43940015 [0,2,0,0,0,0|2,0,0]=4 15506 B13R0.87 CCCC(O)CNCCCC(=O)NC 58c73b012691d8c190ec01edc7d08fb0 [0,2,0,0,0,0|2,0,0]=4 15507 B13R0.87 CCCC(O)CNCCCC(=O)OC 915dbaa0f926723830048f0a37e22398 [0,2,0,0,0,0|1,0,0]=3 15508 B13R0.87 CCCC(S)CCOCCC(=O)NC 013e75a580fa21d3b15cfe4bedd3218f [0,2,0,0,0,0|2,0,0]=4 15509 B13R0.87 CCCC(S)CCOCCC(=O)OC ae50eb819366df340118059dbd936f4a [0,2,0,0,0,0|1,0,0]=3 15510 B13R0.87 CCCC(S)CCOCOC(=O)OC f58354f4acd9201e3089ebb441672f25 [0,2,0,0,0,0|2,0,0]=4 15511 B13R0.87 CCCN(C)CCCCCC(=O)OC ea7df2fe20199a3c52a1d3a0faf4a3af [0,2,0,0,0,0|1,0,0]=3 15512 B13R0.87 CCCN(C)CCCOCC(=O)OC 8ec4dea5e6a3238523ec59873b5f031f [0,2,0,0,0,0|2,0,0]=4 15513 B13R0.87 CCCN(C)CCCSCC(=O)OC ecc1a0c8e621d20a3eed364e5e4f7559 [0,2,0,0,0,0|2,0,0]=4 15514 B13R0.87 CCC[C@@H](C)OCCCCC(=O)CC e5afa2a0fa75dbf81a06ff9db80dc127 [0,2,0,0,0,0|2,0,0]=4 15515 B13R0.87 CCC[C@@H](C)OCCCCC(=O)OC f9d9a6f1303407865e21ca02d01529b8 [0,2,0,0,0,0|1,0,0]=3 15516 B13R0.87 CCC[C@@H](C)OCCOCC(=O)OC 4e92f130137f64065324a6360e3aa93a [0,2,0,0,0,0|2,0,0]=4 15517 B13R0.87 CCC[C@H](C)NCCCCC(=O)CC bf2a594b17ab08a52947db0e24c054cd [0,2,0,0,0,0|2,0,0]=4 15518 B13R0.87 CCC[C@H](C)NCCCCC(=O)OC 229d0d5b3ed2d641e41f3cee77af741f [0,2,0,0,0,0|1,0,0]=3 15519 B13R0.87 CCC[C@H](C)NCCOCC(=O)OC 1e991ab570f1af0a8cd03e408a19e511 [0,2,0,0,0,0|2,0,0]=4 15520 B13R0.87 CCC[C@H](C)OCCCCC(=O)CC f5cf88c24fd503915bd5d79b457e5adf [0,2,0,0,0,0|2,0,0]=4 15521 B13R0.87 CCC[C@H](C)OCCCCC(=O)OC 2bbaceb1653359ccb0aa35f9a0b20765 [0,2,0,0,0,0|1,0,0]=3 15522 B13R0.87 CCC[C@H](C)OCCOCC(=O)OC 402ef604e50817b24471bf2e2da5c371 [0,2,0,0,0,0|2,0,0]=4 15523 B13R0.87 CCOC(C)CNCCCC(=O)OC 9fe50cace803abbfd24d44f5f595477d [0,2,0,0,0,0|2,0,0]=4 15524 B13R0.87 CCOC(C)COCCCC(=O)OC 16c7bab15750a6eb8394c1f2d3bbc8e9 [0,2,0,0,0,0|2,0,0]=4 15525 B13R0.87 COC(=O)CCCCCN(C)CCF f72d455547db7704bb17036d13936bee [0,2,0,0,0,0|2,0,0]=4 15526 B13R0.87 COC(=O)CCCCCN(C)CCO 8db8cfc81b548c07f55eff4b37ee0881 [0,2,0,0,0,0|2,0,0]=4 15527 B13R0.87 COC(=O)CCCCNC(C)CCO 795e2baceafb2194d4222a7b9505154c [0,2,0,0,0,0|2,0,0]=4 15528 B13R0.87 COC(=O)CCCCN[C@@H](C)CCO fa423405b27d4973716230b2865f0285 [0,2,0,0,0,0|2,0,0]=4 15529 B13R0.87 COC(=O)CCCCN[C@H](C)CCO 2946aad96d9ca5f9d6ad9735cb87525a [0,2,0,0,0,0|2,0,0]=4 15530 B13R0.87 COC(=O)CCCCOC(C)CSC 1a726e8888b0c3d508c1e516a3e43d9e [0,2,0,0,0,0|2,0,0]=4 15531 B13R0.87 COC(=O)CCCNCC(C)CCO d6284d0651488d2245c1504d3ffa116e [0,2,0,0,0,0|2,0,0]=4 15532 B13R0.87 COCC(C)COCCCC(=O)OC 509cc6e5d18a6e7923a8ddeb56eb6a0c [0,2,0,0,0,0|2,0,0]=4 15533 B13R0.87 COCC(C)NCCCCC(=O)OC 7a82508a9c0498d80d0639cda265ea17 [0,2,0,0,0,0|2,0,0]=4 15534 B13R0.87 COCC(C)OCCCCC(=O)OC f6cf91d2294bbe32e9ee6f86db50c4ac [0,2,0,0,0,0|2,0,0]=4 15535 B13R0.87 COCC(O)CNCCCC(=O)OC 0fc0373ac5bcb089b2bd5d3a64afeddb [0,2,0,0,0,0|2,0,0]=4 15536 B13R0.87 COC[C@@H](C)NCCCCC(=O)OC 137126a1664000712898a5bbffb98a4a [0,2,0,0,0,0|2,0,0]=4 15537 B13R0.87 COC[C@@H](C)OCCCCC(=O)OC 2410d36745c32810bdb8eaeabf8312f3 [0,2,0,0,0,0|2,0,0]=4 15538 B13R0.87 COC[C@@H](O)CNCCCC(=O)OC 24e48c343b0be6bcf30df86d530a6545 [0,2,0,0,0,0|2,0,0]=4 15539 B13R0.87 COC[C@H](C)COCCCC(=O)OC 93e1f3bcf339d8c98733897a919aa4cf [0,2,0,0,0,0|2,0,0]=4 15540 B13R0.87 COC[C@H](C)NCCCCC(=O)OC 2acfc06c4b83fff10b0b7efac3d9927e [0,2,0,0,0,0|2,0,0]=4 15541 B13R0.87 COC[C@H](C)OCCCCC(=O)OC bb3fc43075c0ea05d531590582a0fc88 [0,2,0,0,0,0|2,0,0]=4 15542 B13R0.340 C#CC(=O)N(C)CCCCCCCC 75904b1c53caceffaf922d5232f71bc6 [0,2,0,0,0,0|2,0,0]=4 15543 B13R0.340 C=C(CNCCCCCC)C(=O)OC e7fd5476a29aff63f2bd0ea3295311a8 [0,2,0,0,0,0|1,0,1]=4 15544 B13R0.340 C=C(COCCCCCC)C(=O)OC dd2d052c244bcb5ca1a0011378c16394 [0,2,0,0,0,0|1,0,1]=4 15545 B13R0.340 C=CC(=O)N(C)CCCCCCCC 8f3a00f69cfc2423e4ce15cfded8ebfd [0,2,0,0,0,0|2,0,0]=4 15546 B13R0.340 CCCCCCCCN(C)C(=O)C=O 7e4c75b4fbe8db644e1d545ac7131f1e [0,2,0,0,0,0|1,0,1]=4 15547 B13R0.340 CCCCCCCCN(C)C(=O)CC e4ced5942755a753cb4a3207f709db06 [0,2,0,0,0,0|2,0,0]=4 15548 B13R0.340 CCCCCCCCN(C)C(=O)CF 6f4541e04e9ec5161ff091e77b9c24cf [0,2,0,0,0,0|2,0,0]=4 15549 B13R0.340 CCCCCCCCN(C)C(=O)CO 21ad55bc472c9011ced854965f7b98b7 [0,2,0,0,0,0|1,0,0]=3 15550 B13R0.340 CCCCCCCCN(C)C(=O)CS 79110fae4bb4eefe427e60ad3326b094 [0,2,0,0,0,0|1,1,0]=4 15551 B13R0.340 CCCCCCCNC(=O)C(=O)OC 002f1de669dd21d9b40f61682743777c [0,2,0,0,0,0|1,0,1]=4 15552 B13R0.340 CCCCCCCNC(C)C(=O)CC 95ad6a4ca47cb7280c870211f2950549 [0,2,0,0,0,0|2,0,0]=4 15553 B13R0.340 CCCCCCCNC(C)C(=O)NC c683bb27b5147c0a45e75d5343190428 [0,2,0,0,0,0|2,0,0]=4 15554 B13R0.340 CCCCCCCNC(C)C(=O)OC cb8c0d9a2ae373ebb41b2afa899548e3 [0,2,0,0,0,0|1,0,0]=3 15555 B13R0.340 CCCCCCCN[C@@H](C)C(=O)OC f6ef5760545d2077a22b98d70c443f65 [0,2,0,0,0,0|1,0,0]=3 15556 B13R0.340 CCCCCCCN[C@H](C)C(=O)OC e41955eb6c1b68b7c786dadf8442b06b [0,2,0,0,0,0|1,0,0]=3 15557 B13R0.340 CCCCCCCOC(C)C(=O)CC 78cf48abaa88e48102d1730495b2dc85 [0,2,0,0,0,0|2,0,0]=4 15558 B13R0.340 CCCCCCCOC(C)C(=O)NC 6c74295a4150d819563d6568609d954c [0,2,0,0,0,0|2,0,0]=4 15559 B13R0.340 CCCCCCCOC(C)C(=O)OC 2e731a12cc3d0e3d45beef133debccc5 [0,2,0,0,0,0|1,0,0]=3 15560 B13R0.340 CCCCCCCO[C@@H](C)C(=O)OC a0fcfeafbc05e3b0bd89bdb0c09b8ce6 [0,2,0,0,0,0|1,0,0]=3 15561 B13R0.340 CCCCCCCO[C@H](C)C(=O)OC 6a3ab7d4244ebd3964d995ad95870440 [0,2,0,0,0,0|1,0,0]=3 15562 B13R0.340 CCCCCCNCC(=O)C(=O)OC e960ee7a2ef93acbe606006e87d48bda [0,2,0,0,0,0|1,0,1]=4 15563 B13R0.340 CCCCCCNCC(C)C(=O)OC 3555573cfe1b1378f23f8017202c21e3 [0,2,0,0,0,0|1,0,0]=3 15564 B13R0.340 CCCCCCNCC(O)C(=O)OC 622ecc0fee5c063d97cb0bea8e0d4335 [0,2,0,0,0,0|1,0,0]=3 15565 B13R0.340 CCCCCCNC[C@@H](C)C(=O)OC 58f31058fdd484b86e452992af39c0b5 [0,2,0,0,0,0|1,0,0]=3 15566 B13R0.340 CCCCCCNC[C@H](C)C(=O)OC 078d842f162c09c7bafa3a494a93b5f2 [0,2,0,0,0,0|1,0,0]=3 15567 B13R0.340 CCCCCCOCC(=O)C(=O)OC fe4a91a430a21c1b7acd55c2e7c919c5 [0,2,0,0,0,0|1,0,1]=4 15568 B13R0.340 CCCCCCOCC(C)C(=O)OC 9e9680b889235bd2d16676dd8240cffe [0,2,0,0,0,0|1,0,0]=3 15569 B13R0.340 CCCCCCOCC(F)C(=O)OC 4f9e24af2cbfd6cc656e1842c97f9ebe [0,2,0,0,0,0|1,0,0]=3 15570 B13R0.340 CCCCCCOC[C@@H](C)C(=O)OC ccce413d07f990a66af12c45c06c6e28 [0,2,0,0,0,0|1,0,0]=3 15571 B13R0.340 CCCCCCOC[C@H](C)C(=O)OC 61a86aadd3937e2bb7c1de86386cf1db [0,2,0,0,0,0|1,0,0]=3 15572 B13R0.340 CCCCCNCCC(C)C(=O)OC 7b369d6d30d9364a463b50a7a9884e39 [0,2,0,0,0,0|1,0,0]=3 15573 B13R0.340 CCCCCOCCC(C)C(=O)OC 8722ce5268c3bfe6f3a84bfd849f1545 [0,2,0,0,0,0|1,0,0]=3 15574 B13R0.340 CCCCNCCCC(=O)C(=O)OC 4527f23c7582313db9d04093012357d8 [0,2,0,0,0,0|1,0,1]=4 15575 B13R0.340 CCCCNCCCC(C)C(=O)OC 5f349896528ee38ef5e8a4303c8dfa2d [0,2,0,0,0,0|1,0,0]=3 15576 B13R0.340 CCCCOCCCC(=O)C(=O)OC 3b8c2526411b841df0fa45bb3eb26ee9 [0,2,0,0,0,0|1,0,1]=4 15577 B13R0.340 CCCCOCCCC(C)C(=O)OC f4b71c8e9df8c308c05b7089750e2b21 [0,2,0,0,0,0|1,0,0]=3 15578 B13R0.340 CCCCOCCNC(C)C(=O)OC def755bfa825defe199b8249403b97be [0,2,0,0,0,0|2,0,0]=4 15579 B13R0.340 CCCCOCCN[C@@H](C)C(=O)OC c059a1074cf9b9849cf10ecf369d2821 [0,2,0,0,0,0|2,0,0]=4 15580 B13R0.340 CCCCOCCN[C@H](C)C(=O)OC 1b2ec5c824a59262dd5452e42a687f56 [0,2,0,0,0,0|2,0,0]=4 15581 B13R0.340 CCCCOCCOC(C)C(=O)OC e2f6b4c29c556b6d6e92e182932ab618 [0,2,0,0,0,0|2,0,0]=4 15582 B13R0.340 CCCCOCCO[C@@H](C)C(=O)OC 3667bae9c52b5b6f2c847131a5babfd3 [0,2,0,0,0,0|2,0,0]=4 15583 B13R0.340 CCCCOCCO[C@H](C)C(=O)OC bab1dd2735c3ddaf056c3ed51f1bfa95 [0,2,0,0,0,0|2,0,0]=4 15584 B13R0.340 CCCCOCNCC(C)C(=O)OC 17adf79a2d481fd5a658265f1ed2850a [0,2,0,0,0,0|2,0,0]=4 15585 B13R0.340 CCCCOCOCC(C)C(=O)OC 8d8386e337fccb7098baa83b2f0abb1e [0,2,0,0,0,0|2,0,0]=4 15586 B13R0.340 CCCCOCOCC(F)C(=O)OC 2f0f9fe7d71f9cf62763993ebc22d787 [0,2,0,0,0,0|2,0,0]=4 15587 B13R0.340 CCCCOCOC[C@@H](C)C(=O)OC 34866660ce42da0c3c2714e9a70410fb [0,2,0,0,0,0|2,0,0]=4 15588 B13R0.340 CCCCOCOC[C@H](C)C(=O)OC 10a46f0ee968d28d2ee5dc3a52d80064 [0,2,0,0,0,0|2,0,0]=4 15589 B13R0.340 CCCNCCSCC(C)C(=O)OC f1d7090af0cf126d0378788c96c8596f [0,2,0,0,0,0|2,0,0]=4 15590 B13R0.340 CCCOCCCNC(C)C(=O)OC 8f3f7725bda30079e586fa2cfde7e3c8 [0,2,0,0,0,0|2,0,0]=4 15591 B13R0.340 CCCOCCCN[C@@H](C)C(=O)OC aea74f92dfee0b775e868848eb785571 [0,2,0,0,0,0|2,0,0]=4 15592 B13R0.340 CCCOCCCN[C@H](C)C(=O)OC e96c84b3d55f5d4268883fdb8d08ca1c [0,2,0,0,0,0|2,0,0]=4 15593 B13R0.340 CCCOCCCOC(C)C(=O)OC 6b283e74540435e277c7b73d9dcad199 [0,2,0,0,0,0|2,0,0]=4 15594 B13R0.340 CCCOCCCO[C@@H](C)C(=O)OC 775d0ab8efc5e304d33a4b967a033cec [0,2,0,0,0,0|2,0,0]=4 15595 B13R0.340 CCCOCCCO[C@H](C)C(=O)OC 4233e9a3f97e70fd75e20676ac7a1039 [0,2,0,0,0,0|2,0,0]=4 15596 B13R0.340 CCCOCCNCC(C)C(=O)OC 25e9fffc88c3bce04d48454044cedcec [0,2,0,0,0,0|2,0,0]=4 15597 B13R0.340 CCCOCCNCC(O)C(=O)OC 2993444815a886095a33d4a53dab1a71 [0,2,0,0,0,0|2,0,0]=4 15598 B13R0.340 CCCOCCNC[C@@H](C)C(=O)OC b04552abff48998aa679dcca727f4223 [0,2,0,0,0,0|2,0,0]=4 15599 B13R0.340 CCCOCCNC[C@H](C)C(=O)OC 2c537f83cf508d68f51752478f2f4dac [0,2,0,0,0,0|2,0,0]=4 15600 B13R0.340 CCCOCCOCC(C)C(=O)OC 3bcfa39c90faf6a72b52a6d05ada33d9 [0,2,0,0,0,0|2,0,0]=4 15601 B13R0.340 CCCOCCOCC(F)C(=O)OC 3297b92f3e6030b09098f835b7aaed01 [0,2,0,0,0,0|2,0,0]=4 15602 B13R0.340 CCCOCCOC[C@@H](C)C(=O)OC aaa255c439609190379e18d5b3cf9eb9 [0,2,0,0,0,0|2,0,0]=4 15603 B13R0.340 CCCOCCOC[C@H](C)C(=O)OC 5b6f84229c7a597fa4996a2330a4301c [0,2,0,0,0,0|2,0,0]=4 15604 B13R0.340 CCCSCCOCC(C)C(=O)OC 00bf9c1085df3b17572de3a3e5543ddd [0,2,0,0,0,0|2,0,0]=4 15605 B13R0.340 CCCSCCOC[C@@H](C)C(=O)OC dde6f15b5841505a7a26a8e6bcfd4481 [0,2,0,0,0,0|2,0,0]=4 15606 B13R0.340 CCCSCCOC[C@H](C)C(=O)OC c7cac6e59ccdb96a6624f577c9c60c95 [0,2,0,0,0,0|2,0,0]=4 15607 B13R0.340 CCOCCCNCC(C)C(=O)OC 7f98de4e7964239527bd7402aec638b5 [0,2,0,0,0,0|2,0,0]=4 15608 B13R0.340 CCOCCCNCC(O)C(=O)OC 2c7bf99e53476560d330c961b578ee26 [0,2,0,0,0,0|2,0,0]=4 15609 B13R0.340 CCOCCCNC[C@@H](C)C(=O)OC 4f93b77abe65117195d59c2ecc319abf [0,2,0,0,0,0|2,0,0]=4 15610 B13R0.340 CCOCCCNC[C@H](C)C(=O)OC e04e5459fc5ec985aacde4be285b3152 [0,2,0,0,0,0|2,0,0]=4 15611 B13R0.340 CCOCCCOCC(C)C(=O)OC 3312d6dc0bdabcc73d63d49441d536b1 [0,2,0,0,0,0|2,0,0]=4 15612 B13R0.340 CCOCCCOCC(F)C(=O)OC 79905cdc8d88c10ed0a0758a282a2482 [0,2,0,0,0,0|2,0,0]=4 15613 B13R0.340 CCOCCCOC[C@@H](C)C(=O)OC 08c45ee6ca46df76f82f24e73d1d59ed [0,2,0,0,0,0|2,0,0]=4 15614 B13R0.340 CCOCCCOC[C@H](C)C(=O)OC a2a26f51141c4dfddc1abc3ddc9eadfb [0,2,0,0,0,0|2,0,0]=4 15615 B13R0.340 CCOCCNCCC(C)C(=O)OC 43dcd5ef3d8dfc42374a7028d8f9ec52 [0,2,0,0,0,0|2,0,0]=4 15616 B13R0.340 CCOCCOCCC(C)C(=O)OC 56f7d95502fbed3d5b6976f96d4168bf [0,2,0,0,0,0|2,0,0]=4 15617 B13R0.340 CCSCCCCNC(C)C(=O)OC 3ffe4da82f983c0d8f6385396e746331 [0,2,0,0,0,0|2,0,0]=4 15618 B13R0.340 CCSCCCCN[C@@H](C)C(=O)OC 26d516a4c564a301ecf481227db878ac [0,2,0,0,0,0|2,0,0]=4 15619 B13R0.340 CCSCCCCN[C@H](C)C(=O)OC a0ef4dd48d90afbc484f367f070eeafc [0,2,0,0,0,0|2,0,0]=4 15620 B13R0.340 CCSCCCNCC(C)C(=O)OC 36edb5c9c58b0421f0c3214d0e981314 [0,2,0,0,0,0|2,0,0]=4 15621 B13R0.340 CCSCCCOCC(C)C(=O)OC 4b1b9c695337276269d52e2bf4213c8a [0,2,0,0,0,0|2,0,0]=4 15622 B13R0.340 CCSCCCOCC(F)C(=O)OC 2da76419137694e8692fb4064ebf91b4 [0,2,0,0,0,0|2,0,0]=4 15623 B13R0.340 CCSCCCOC[C@@H](C)C(=O)OC 0f9376467e3b0a1aeb5757d26c4f7ad7 [0,2,0,0,0,0|2,0,0]=4 15624 B13R0.340 CCSCCCOC[C@H](C)C(=O)OC ccecaa67491ce608f49456ef8e3be333 [0,2,0,0,0,0|2,0,0]=4 15625 B13R0.340 CCSCCNCCC(C)C(=O)OC fccff9f55a012594dd0d2039cf3c65c0 [0,2,0,0,0,0|2,0,0]=4 15626 B13R0.340 CCSCCOCCC(C)C(=O)OC 43b6b4c5c64f695967436072c03dd78a [0,2,0,0,0,0|2,0,0]=4 15627 B13R0.340 COC(=O)C(C)CCCNCCCCl 6e47936a1389f2718791e323bfc63a3d [0,2,0,0,0,0|2,0,0]=4 15628 B13R0.340 COC(=O)C(C)CCCNCCCO 584d554901e86ad7532fdc1eab13f953 [0,2,0,0,0,0|2,0,0]=4 15629 B13R0.340 COC(=O)C(C)CCCNCCSC 4b0774a1ecbf33a3094c4e21801dfa98 [0,2,0,0,0,0|2,0,0]=4 15630 B13R0.340 COC(=O)C(C)CCCOCCCF 32bb4b2e1ef9448738a48502a17cfc45 [0,2,0,0,0,0|2,0,0]=4 15631 B13R0.340 COC(=O)C(C)CCCOCCCS dec1ac40c6256cc2df5d6905e7ebc150 [0,2,0,0,0,0|2,0,0]=4 15632 B13R0.340 COC(=O)C(C)CCCOCCSC 1b8b287ac100a6659bdfb4ab07075df9 [0,2,0,0,0,0|2,0,0]=4 15633 B13R0.340 COC(=O)C(C)CCNCCCCCl f9c0c4d3bdb0cf285b6f52af34cc88cd [0,2,0,0,0,0|2,0,0]=4 15634 B13R0.340 COC(=O)C(C)CCNCCCCO c6200fe310a322e562cbe4af4ee7ccd9 [0,2,0,0,0,0|2,0,0]=4 15635 B13R0.340 COC(=O)C(C)CCNCCCCS e31edda0905265eeb799cfcceba93435 [0,2,0,0,0,0|2,0,0]=4 15636 B13R0.340 COC(=O)C(C)CCNCCCSC 77975be34a89e49fdada55da4ad633be [0,2,0,0,0,0|2,0,0]=4 15637 B13R0.340 COC(=O)C(C)CCOCCCCF 022023045022b49139e83915556e785b [0,2,0,0,0,0|2,0,0]=4 15638 B13R0.340 COC(=O)C(C)CCOCCCCS 121b104f153f460712b4c2cd579202ca [0,2,0,0,0,0|2,0,0]=4 15639 B13R0.340 COC(=O)C(C)CCOCCCSC dec101629d0c381bd458acb9d8b0069f [0,2,0,0,0,0|2,0,0]=4 15640 B13R0.340 COC(=O)C(C)CNCCCCCCl 7c1700d4dba41a38865ea05aa6d1055c [0,2,0,0,0,0|2,0,0]=4 15641 B13R0.340 COC(=O)C(C)CNCCCCCF e0dd2f410d0df1d5c88fcc3da73165e8 [0,2,0,0,0,0|2,0,0]=4 15642 B13R0.340 COC(=O)C(C)CNCCCCCO f6e6483baf3dbee8c0ca1f33fbf34bb9 [0,2,0,0,0,0|2,0,0]=4 15643 B13R0.340 COC(=O)C(C)CNCCCCSC ac5f6f53275130d4135ef37240b86683 [0,2,0,0,0,0|2,0,0]=4 15644 B13R0.340 COC(=O)C(C)COCCCCCF 5915bd9c69f793ad7aa0f83a87f86509 [0,2,0,0,0,0|2,0,0]=4 15645 B13R0.340 COC(=O)C(C)COCCCCSC c3336cef5368b1de5ae4789949e11358 [0,2,0,0,0,0|2,0,0]=4 15646 B13R0.340 COC(=O)C(C)NCCCCCCCl 2f6b45b5c5079a6843e3a8e919680162 [0,2,0,0,0,0|2,0,0]=4 15647 B13R0.340 COC(=O)C(C)NCCCCCCO 0afb95576df6d160208de979f4cae48a [0,2,0,0,0,0|2,0,0]=4 15648 B13R0.340 COC(=O)C(C)OCCCCCCF e6f4acdf05f89f6feb65b99ebf596e42 [0,2,0,0,0,0|2,0,0]=4 15649 B13R0.340 COC(=O)C(F)COCCCCCF e966213473e853282382e5116871316f [0,2,0,0,0,0|2,0,0]=4 15650 B13R0.340 COC(=O)C(O)CNCCCCCCl 89c28d9b4fc74340c549a425aea64aaa [0,2,0,0,0,0|2,0,0]=4 15651 B13R0.340 COC(=O)C(O)CNCCCCCO 9e314f57455b31be3d7b82cf29872be6 [0,2,0,0,0,0|2,0,0]=4 15652 B13R0.340 COC(=O)C(O)CNCCCCSC 7e09dc5c084d16234e97b4f6c0ef5709 [0,2,0,0,0,0|2,0,0]=4 15653 B13R0.340 COC(=O)[C@@H](C)CNCCCCCCl 3b243f117421d91bb9c509afc45fa400 [0,2,0,0,0,0|2,0,0]=4 15654 B13R0.340 COC(=O)[C@@H](C)CNCCCCCO d34dcf33db00d7cd12dfc6b946577fc8 [0,2,0,0,0,0|2,0,0]=4 15655 B13R0.340 COC(=O)[C@@H](C)CNCCCCSC 338631be365737b38311e03269de4dfc [0,2,0,0,0,0|2,0,0]=4 15656 B13R0.340 COC(=O)[C@@H](C)COCCCCCF d109ecb22312ea4a53ffeeaa327d22fb [0,2,0,0,0,0|2,0,0]=4 15657 B13R0.340 COC(=O)[C@@H](C)COCCCCSC e1d96881c66a1e74cdf22b7f1991cdb3 [0,2,0,0,0,0|2,0,0]=4 15658 B13R0.340 COC(=O)[C@@H](C)NCCCCCCCl cc0caedc4c57b952d6d8b8d315d7e677 [0,2,0,0,0,0|2,0,0]=4 15659 B13R0.340 COC(=O)[C@@H](C)NCCCCCCO 4b5207075791ca53363e7346dd7a178f [0,2,0,0,0,0|2,0,0]=4 15660 B13R0.340 COC(=O)[C@@H](C)OCCCCCCF ea98b8e7a89b5fdf4233b66ea397a8c0 [0,2,0,0,0,0|2,0,0]=4 15661 B13R0.340 COC(=O)[C@H](C)CNCCCCCCl ab83cf9b552c5cbfbcd8473a80a4f704 [0,2,0,0,0,0|2,0,0]=4 15662 B13R0.340 COC(=O)[C@H](C)CNCCCCCO 0745ea4da08698db0ca445b64bff55b0 [0,2,0,0,0,0|2,0,0]=4 15663 B13R0.340 COC(=O)[C@H](C)CNCCCCSC b0626b30737f55d226c54dad590dfb44 [0,2,0,0,0,0|2,0,0]=4 15664 B13R0.340 COC(=O)[C@H](C)COCCCCCF b75b3daeb5a7313a8ea14b0d43624e75 [0,2,0,0,0,0|2,0,0]=4 15665 B13R0.340 COC(=O)[C@H](C)COCCCCSC 9e53ced69dc6a0c9e32b59c56e7fce34 [0,2,0,0,0,0|2,0,0]=4 15666 B13R0.340 COC(=O)[C@H](C)NCCCCCCCl 36545e3aa3bd9fdbdca9010b0c9fbe8a [0,2,0,0,0,0|2,0,0]=4 15667 B13R0.340 COC(=O)[C@H](C)NCCCCCCO bdef3895b666a28f3c7b470491366e56 [0,2,0,0,0,0|2,0,0]=4 15668 B13R0.340 COC(=O)[C@H](C)OCCCCCCF 7567a87b6bf16b6fbaeaedcdc5191225 [0,2,0,0,0,0|2,0,0]=4 15669 B13R0.340 COCCCCCNC(C)C(=O)OC 0e96cef1137408315d8c29c1b47ebb1d [0,2,0,0,0,0|2,0,0]=4 15670 B13R0.340 COCCCCCN[C@@H](C)C(=O)OC 628515c8f41642a92258b95bea522f5f [0,2,0,0,0,0|2,0,0]=4 15671 B13R0.340 COCCCCCN[C@H](C)C(=O)OC 10a523ee7db418abe74f0d43fa8e1c11 [0,2,0,0,0,0|2,0,0]=4 15672 B13R0.340 COCCCCCOC(C)C(=O)OC b071357b00ee56ebd4bd1bcace3a3254 [0,2,0,0,0,0|2,0,0]=4 15673 B13R0.340 COCCCCCO[C@@H](C)C(=O)OC 13bd785a6a10673fc6ffa7bd9841cb15 [0,2,0,0,0,0|2,0,0]=4 15674 B13R0.340 COCCCCCO[C@H](C)C(=O)OC f4c3db6d4ce9012a5bea8e62020202ba [0,2,0,0,0,0|2,0,0]=4 15675 B13R0.340 COCCCCNCC(C)C(=O)OC 2d1f7b63f556a5dfa79de44db60de4c8 [0,2,0,0,0,0|2,0,0]=4 15676 B13R0.340 COCCCCNCC(O)C(=O)OC 4cc5b45942addf5e72faff4039076f1b [0,2,0,0,0,0|2,0,0]=4 15677 B13R0.340 COCCCCNC[C@@H](C)C(=O)OC 2e2060cc371b74adc3f237c88f37dd57 [0,2,0,0,0,0|2,0,0]=4 15678 B13R0.340 COCCCCNC[C@H](C)C(=O)OC 023ed88990d2f873bb12af177418c70a [0,2,0,0,0,0|2,0,0]=4 15679 B13R0.340 COCCCCOCC(C)C(=O)OC a607580ff93522782b12d3cab8e3ec2f [0,2,0,0,0,0|2,0,0]=4 15680 B13R0.340 COCCCCOCC(F)C(=O)OC 4989af807532e63695262abcf235a534 [0,2,0,0,0,0|2,0,0]=4 15681 B13R0.340 COCCCCOC[C@@H](C)C(=O)OC bcdb0638425db3a1721f9a1ae5f9cdcd [0,2,0,0,0,0|2,0,0]=4 15682 B13R0.340 COCCCCOC[C@H](C)C(=O)OC c69b02b8f9c31256d9cfacd52746a5f5 [0,2,0,0,0,0|2,0,0]=4 15683 B13R0.340 COCCCNCCC(C)C(=O)OC f14a0948881d272a76bdb2c17a26985d [0,2,0,0,0,0|2,0,0]=4 15684 B13R0.340 COCCCOCCC(C)C(=O)OC 2ada511107bfea9f917c774c3e9c187a [0,2,0,0,0,0|2,0,0]=4 15685 B13R0.340 COCCNCCCC(C)C(=O)OC f40e82961abf3968f055996a5ecb05a0 [0,2,0,0,0,0|2,0,0]=4 15686 B13R0.340 COCCOCCCC(C)C(=O)OC 6225b577e6cec6c9262fa1a7985c77cf [0,2,0,0,0,0|2,0,0]=4 15687 B13R0.1170 C=C(CNC(C)CCCCCC)OC 14adc334c189c1cc4e75821fa991e691 [0,2,0,0,0,0|2,0,0]=4 15688 B13R0.1170 C=C(CN[C@@H](C)CCCCCC)OC 0b616ba2ba7515136c852364b226477b [0,2,0,0,0,0|2,0,0]=4 15689 B13R0.1170 C=C(CN[C@H](C)CCCCCC)OC 5de56c56a9168c1e5f00f89c601ce8b6 [0,2,0,0,0,0|2,0,0]=4 15690 B13R0.1170 C=C(CO)CNC(C)CCCCCC de485b67c939dd2005ba1fde1409c11e [0,2,0,0,0,0|2,0,0]=4 15691 B13R0.1170 C=C(CO)CN[C@@H](C)CCCCCC 7c9d300dc4132a41dab1241ba31ae513 [0,2,0,0,0,0|2,0,0]=4 15692 B13R0.1170 C=C(CO)CN[C@H](C)CCCCCC 36a927de94273c85eb7e26d9f3302120 [0,2,0,0,0,0|2,0,0]=4 15693 B13R0.1170 C=C(COC(C)CCCCCC)OC 142429a60078f0e0fd1a8e3a8229e36a [0,2,0,0,0,0|2,0,0]=4 15694 B13R0.1170 C=C(CO[C@@H](C)CCCCCC)OC 7ebbdc5f21764f871027cfa4a8d5736b [0,2,0,0,0,0|2,0,0]=4 15695 B13R0.1170 C=C(CO[C@H](C)CCCCCC)OC 786959cd34f9b2148bf2cfc69ff17c93 [0,2,0,0,0,0|2,0,0]=4 15696 B13R0.1170 CCCCCCC(=O)NCC(=O)NO 714708f8725a6a828251617e8eff0881 [0,2,0,0,0,0|1,0,1]=4 15697 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 5891b7ec4cb8c14c623b87a6cccdec90 [0,2,0,0,0,0|1,0,1]=4 15698 B13R0.1170 CCCCCCC(C)NCC(=O)CC fdfdda9581377dc5ece4b2edfb000bde [0,2,0,0,0,0|2,0,0]=4 15699 B13R0.1170 CCCCCCC(C)NCC(=O)CO b192be8f7838607ea80b4f114e4227eb [0,2,0,0,0,0|1,0,0]=3 15700 B13R0.1170 CCCCCCC(C)NCC(=O)NC cb2195335afddf4c1c29e1ea7966fd3b [0,2,0,0,0,0|2,0,0]=4 15701 B13R0.1170 CCCCCCC(C)NCC(=O)NO 2e89787d8fb9125bda736b2f221eefdf [0,2,0,0,0,0|1,0,0]=3 15702 B13R0.1170 CCCCCCC(C)NCC(=O)OC 5e0e1d67e2c4abcda96c242818f3f6e4 [0,2,0,0,0,0|1,0,0]=3 15703 B13R0.1170 CCCCCCC(C)OCC(=O)CC 94fde9e2cd82a20dc0be97b689e9930f [0,2,0,0,0,0|2,0,0]=4 15704 B13R0.1170 CCCCCCC(C)OCC(=O)NC 47e80e661ba3aefe96ad7fd2bfcbeb20 [0,2,0,0,0,0|2,0,0]=4 15705 B13R0.1170 CCCCCCC(C)OCC(=O)OC 8aa957f7783b2951975afc93a983f475 [0,2,0,0,0,0|1,0,0]=3 15706 B13R0.1170 CCCCCCN(C)CCC(=O)NC d3d682e4a5550f6370253b78318cf230 [0,2,0,0,0,0|2,0,0]=4 15707 B13R0.1170 CCCCCCN(C)CCC(=O)OC 89080b5d8116668c9e38aa31bd4bc48e [0,2,0,0,0,0|1,0,0]=3 15708 B13R0.1170 CCCCCCN(C)COC(=O)OC bfa8f51f011163bdadad867529369850 [0,2,0,0,0,0|2,0,0]=4 15709 B13R0.1170 CCCCCC[C@@H](C)NCC(=O)CC 26940243c786da0ae8ae0776f178d437 [0,2,0,0,0,0|2,0,0]=4 15710 B13R0.1170 CCCCCC[C@@H](C)NCC(=O)CO 39b70728e3ae2207df8b29d86c550b19 [0,2,0,0,0,0|1,0,0]=3 15711 B13R0.1170 CCCCCC[C@@H](C)NCC(=O)NC 92b5fc7535c571e25c598e0662ab6c0d [0,2,0,0,0,0|2,0,0]=4 15712 B13R0.1170 CCCCCC[C@@H](C)NCC(=O)OC 34042de7ac5d56ff4bb3d6891bfcc530 [0,2,0,0,0,0|1,0,0]=3 15713 B13R0.1170 CCCCCC[C@@H](C)OCC(=O)CC a0407fd4cc3e790d205da60d1fdcb98d [0,2,0,0,0,0|2,0,0]=4 15714 B13R0.1170 CCCCCC[C@@H](C)OCC(=O)NC 2339ec8bffc1e066ec7354ab4e78ffea [0,2,0,0,0,0|2,0,0]=4 15715 B13R0.1170 CCCCCC[C@@H](C)OCC(=O)OC 6537961b7f2fef829d05de7b8ecebc66 [0,2,0,0,0,0|1,0,0]=3 15716 B13R0.1170 CCCCCC[C@H](C)NCC(=O)CC 96af07d7e092728e3d71249f055a4663 [0,2,0,0,0,0|2,0,0]=4 15717 B13R0.1170 CCCCCC[C@H](C)NCC(=O)CO 4b097f0f4c6bdfdb9ace224148d536a3 [0,2,0,0,0,0|1,0,0]=3 15718 B13R0.1170 CCCCCC[C@H](C)NCC(=O)NC e79532c46528c9d107e771ee8a0d7639 [0,2,0,0,0,0|2,0,0]=4 15719 B13R0.1170 CCCCCC[C@H](C)NCC(=O)OC 22f4b962a7a89031beca5127c0ea24d2 [0,2,0,0,0,0|1,0,0]=3 15720 B13R0.1170 CCCCCC[C@H](C)OCC(=O)CC e1b456208e3bd960daf6c7ae2c6f43f4 [0,2,0,0,0,0|2,0,0]=4 15721 B13R0.1170 CCCCCC[C@H](C)OCC(=O)NC ec3837243069baefa1104331d66dc3d2 [0,2,0,0,0,0|2,0,0]=4 15722 B13R0.1170 CCCCCC[C@H](C)OCC(=O)OC 38002c510a4233f6f48e75682d596d3d [0,2,0,0,0,0|1,0,0]=3 15723 B13R0.1170 CCCCCNC(=O)CCC(=O)NO d6f3f01cf23224815d9aa2d9105cd03b [0,2,0,0,0,0|1,0,1]=4 15724 B13R0.1170 CCCCCNC(=O)CCC(=O)OC a75ba3cb955d807e37c68e2f1282180d [0,2,0,0,0,0|1,0,1]=4 15725 B13R0.1170 CCCCCNC(C)CCC(=O)OC 31e31a33f5aeddbeb5236d35d7a09646 [0,2,0,0,0,0|1,0,0]=3 15726 B13R0.1170 CCCCCOC(C)CCC(=O)OC af265ba50cbadff28afee2325436493a [0,2,0,0,0,0|1,0,0]=3 15727 B13R0.1170 CCCCNCC(=O)CCC(=O)OC 4f10b04fd59078c3e879e1341cb5c3e5 [0,2,0,0,0,0|1,0,1]=4 15728 B13R0.1170 CCCCNCC(C)CCC(=O)OC 12f172c91b54e5a6a861b7b1439506e0 [0,2,0,0,0,0|1,0,0]=3 15729 B13R0.1170 CCCCOCC(=O)CCC(=O)OC 210b055e33e21049267e672049d80cde [0,2,0,0,0,0|1,0,1]=4 15730 B13R0.1170 CCCCOCC(C)CCC(=O)OC 556e40150898510530646ccdf357110d [0,2,0,0,0,0|1,0,0]=3 15731 B13R0.1170 CCCCOCC(C)OCC(=O)OC b325cbbd23e7cb36d84e8c7f65415325 [0,2,0,0,0,0|2,0,0]=4 15732 B13R0.1170 CCCCOCN(C)CCC(=O)OC e02f284c3e1898cf222d196118283686 [0,2,0,0,0,0|2,0,0]=4 15733 B13R0.1170 CCCOCCN(C)CCC(=O)OC 16ac4316539ef2d151380a68344eda56 [0,2,0,0,0,0|2,0,0]=4 15734 B13R0.1170 CCOCCCN(C)CCC(=O)OC 37885d938e0f5c1692ecafaa08fb913e [0,2,0,0,0,0|2,0,0]=4 15735 B13R0.1170 CCOCCNC(C)CCC(=O)OC 4187319cca879e43474629f1ee41c034 [0,2,0,0,0,0|2,0,0]=4 15736 B13R0.1170 CCOCCOC(C)CCC(=O)OC 97d5c6420449934b4eb5983e602b785b [0,2,0,0,0,0|2,0,0]=4 15737 B13R0.1170 CCSCCCN(C)CCC(=O)OC 20f5c30b1d4978d0d73a08292086f56f [0,2,0,0,0,0|2,0,0]=4 15738 B13R0.1170 CCSCCNC(C)CCC(=O)OC 0c4dba01e5e64c53f725d7a48803cf59 [0,2,0,0,0,0|2,0,0]=4 15739 B13R0.1170 CCSCCOC(C)CCC(=O)OC 9e27b3f99af48a015b442fa2a07de05c [0,2,0,0,0,0|2,0,0]=4 15740 B13R0.1170 COC(=O)CCC(C)CNCCCCl b82aa478fb102a45a5a8a36b0e34ddb6 [0,2,0,0,0,0|2,0,0]=4 15741 B13R0.1170 COC(=O)CCC(C)CNCCCO a351166c71bc25a2641f95261a129a3b [0,2,0,0,0,0|2,0,0]=4 15742 B13R0.1170 COC(=O)CCC(C)CNCCSC aa1fc6fcbbb725992001212f5045dbaa [0,2,0,0,0,0|2,0,0]=4 15743 B13R0.1170 COC(=O)CCC(C)COCCCF 97ec1c3590c033756039099751dee14a [0,2,0,0,0,0|2,0,0]=4 15744 B13R0.1170 COC(=O)CCC(C)COCCCS ca4c10f65caf5c745a24ccc031c9ad07 [0,2,0,0,0,0|2,0,0]=4 15745 B13R0.1170 COC(=O)CCC(C)COCCSC 3e8d6ea74f293de9d7b0f18455ef9218 [0,2,0,0,0,0|2,0,0]=4 15746 B13R0.1170 COC(=O)CCC(C)NCCCCCl 4bb87c9622f17a8d9087f5181bbfc6d9 [0,2,0,0,0,0|2,0,0]=4 15747 B13R0.1170 COC(=O)CCC(C)NCCCCO c3a47a86ad932e795474accea4d6e616 [0,2,0,0,0,0|2,0,0]=4 15748 B13R0.1170 COC(=O)CCC(C)NCCCCS 50e58c77d0bd560f847006afb4fac209 [0,2,0,0,0,0|2,0,0]=4 15749 B13R0.1170 COC(=O)CCC(C)NCCCSC 9d4737f7926f022de595d575ca7bd58a [0,2,0,0,0,0|2,0,0]=4 15750 B13R0.1170 COC(=O)CCC(C)OCCCCF 1539aa930bc71bfa1cdabfe583a3cb55 [0,2,0,0,0,0|2,0,0]=4 15751 B13R0.1170 COC(=O)CCC(C)OCCCCS e74acc3346f3a954f07c53112f411063 [0,2,0,0,0,0|2,0,0]=4 15752 B13R0.1170 COC(=O)CCC(C)OCCCSC 17e83ebcf54c3758a679bcdebd29f863 [0,2,0,0,0,0|2,0,0]=4 15753 B13R0.1170 COC(=O)CCN(C)CCCCCF e82a4de00fac536e2196be6b223d145b [0,2,0,0,0,0|2,0,0]=4 15754 B13R0.1170 COC(=O)CCN(C)CCCCCO 978752b81535e4f683966cf32af60671 [0,2,0,0,0,0|2,0,0]=4 15755 B13R0.1170 COCCCCN(C)CCC(=O)OC 15506c39f18ddf764c175c3bff71b957 [0,2,0,0,0,0|2,0,0]=4 15756 B13R0.1170 COCCCNC(C)CCC(=O)OC 0bf0a502b65e9c1ea236ab614e539d13 [0,2,0,0,0,0|2,0,0]=4 15757 B13R0.1170 COCCCOC(C)CCC(=O)OC 28886bfa3bc0edcc79241f8bdc0af93c [0,2,0,0,0,0|2,0,0]=4 15758 B13R0.1170 COCCNCC(C)CCC(=O)OC ef94dbb5c766ea5d5176f7df06d56c79 [0,2,0,0,0,0|2,0,0]=4 15759 B13R0.1170 COCCOCC(C)CCC(=O)OC 036778bdc6f4a844e16c2ca491da3ae6 [0,2,0,0,0,0|2,0,0]=4 15760 B13R0.61 C#CC(OCCCCCCC)C(=O)O 5098f720f0ef5816ebcd6469551bef24 [0,2,0,0,0,0|1,0,0]=3 15761 B13R0.61 C#CC(OCCCCCCF)C(=O)O 70d42a71238bf0da2a389c277628958b [0,2,0,0,0,0|2,0,0]=4 15762 B13R0.61 C#CC(OCCCCCOC)C(=O)O 7af6cd53f58c8bbe5d5901b8e2821789 [0,2,0,0,0,0|2,0,0]=4 15763 B13R0.61 C#CC(OCCCOCCC)C(=O)O cba7dd624852838549cbb2905fe970db [0,2,0,0,0,0|2,0,0]=4 15764 B13R0.61 C#CC(OCCOCCCC)C(=O)O 602461924e19c2c3122edf375c62dd94 [0,2,0,0,0,0|2,0,0]=4 15765 B13R0.61 C/C=C(\OCCCCCCC)/C(=O)O 769eb7e199814f4ce67240ca4459aa0f [0,2,0,0,0,0|1,0,1]=4 15766 B13R0.61 C=CC(NCCCCCCC)C(=O)O b67b1d360a89a4f46d2411c51ff704f7 [0,2,0,0,0,0|1,0,0]=3 15767 B13R0.61 C=CC(NCCCCCCF)C(=O)O 3cce106feac3559732a7869521d2e836 [0,2,0,0,0,0|2,0,0]=4 15768 B13R0.61 C=CC(NCCCCCCO)C(=O)O cb6a1f695fb75ff74415794d17da3f8c [0,2,0,0,0,0|2,0,0]=4 15769 B13R0.61 C=CC(NCCCCCOC)C(=O)O c77ae934fb2500aec12161be0824c03d [0,2,0,0,0,0|2,0,0]=4 15770 B13R0.61 C=CC(NCCCOCCC)C(=O)O d3ffb1ea49cdbd68cfe5e55cdd6ede54 [0,2,0,0,0,0|2,0,0]=4 15771 B13R0.61 C=CC(NCCOCCCC)C(=O)O 1d8c90552acadb3f991747c7635c8e14 [0,2,0,0,0,0|2,0,0]=4 15772 B13R0.61 C=C[C@H](NCCCCCCC)C(=O)O c2c6c8e2e13ea13ac5c4432a0bd7b983 [0,2,0,0,0,0|1,0,0]=3 15773 B13R0.61 C=C[C@H](NCCCCCCF)C(=O)O 1c6819e51fa6a0b30fe5179e4199b088 [0,2,0,0,0,0|2,0,0]=4 15774 B13R0.61 C=C[C@H](NCCCCCCO)C(=O)O 23ddcfd1d42691f4661a44d231625030 [0,2,0,0,0,0|2,0,0]=4 15775 B13R0.61 C=C[C@H](NCCCCCOC)C(=O)O 26c29bfc677a4185f995124854d3fa91 [0,2,0,0,0,0|2,0,0]=4 15776 B13R0.61 C=C[C@H](NCCCOCCC)C(=O)O 452e0d894cf4ff30dde8f2805fe3ea65 [0,2,0,0,0,0|2,0,0]=4 15777 B13R0.61 C=C[C@H](NCCOCCCC)C(=O)O 6267cd187b964fe43f2d0036f0f90e50 [0,2,0,0,0,0|2,0,0]=4 15778 B13R0.61 CCC(NCCCCCCCl)C(=O)O 65c96bd65dbbc7a0fdad16c1baadfc84 [0,2,0,0,0,0|2,0,0]=4 15779 B13R0.61 CCC(NCCCCCCF)C(=O)O 1ddf87b09c3a0f9dde98ef66899529ee [0,2,0,0,0,0|2,0,0]=4 15780 B13R0.61 CCC(NCCCCCCO)C(=O)O c8c20fe8eeca8453ead8ec2de215bc8c [0,2,0,0,0,0|2,0,0]=4 15781 B13R0.61 CCC(NCCCCCOC)C(=O)O 680d2b095ccb1710357fc2eb4e70c2e1 [0,2,0,0,0,0|2,0,0]=4 15782 B13R0.61 CCC(OCCCCCCF)C(=O)O 4f811c10f1272185420b3db59a92ee2a [0,2,0,0,0,0|2,0,0]=4 15783 B13R0.61 CCC(OCCCCCCS)C(=O)O a1796edaff119ca732894816322376d9 [0,2,0,0,0,0|2,0,0]=4 15784 B13R0.61 CCC(OCCCCCOC)C(=O)O 295a1c80ded7b200018475c57b3db56f [0,2,0,0,0,0|2,0,0]=4 15785 B13R0.61 CCCCCCCNC(C#N)C(=O)N 2e0ed7316ae80e5eae5e4fd0eb25f407 [0,2,0,0,0,0|2,0,0]=4 15786 B13R0.61 CCCCCCCNC(CC)C(=O)N 7093dab440fa13e389c1929d657d133b [0,2,0,0,0,0|2,0,0]=4 15787 B13R0.61 CCCCCCCNC(CC)C(=O)O 14610df5c15bf039ca95155c7f89092a [0,2,0,0,0,0|1,0,0]=3 15788 B13R0.61 CCCCCCCNC(CCl)C(=O)O 2f6f0d9ae3f690669b88024fed8460ff [0,2,0,0,0,0|1,0,0]=3 15789 B13R0.61 CCCCCCCNC(CF)C(=O)O 6a055412666b42b0df00e6f816da93a4 [0,2,0,0,0,0|1,0,0]=3 15790 B13R0.61 CCCCCCCNC(CO)C(=O)N 594576298a99803a1353f826ac6cb384 [0,2,0,0,0,0|2,0,0]=4 15791 B13R0.61 CCCCCCCNC(CO)C(=O)O a766df128d6e2d80328c873134ff48a5 [0,2,0,0,0,0|1,0,0]=3 15792 B13R0.61 CCCCCCCNC(CS)C(=O)O ce003aec0e7d6df16d492d80aa87b61c [0,2,0,0,0,0|1,0,0]=3 15793 B13R0.61 CCCCCCCN[C@@H](CC)C(=O)N 802306a53e0a728d4fe9b5b665a5ab09 [0,2,0,0,0,0|2,0,0]=4 15794 B13R0.61 CCCCCCCN[C@@H](CC)C(=O)O 04b363acc8f028895800a6badf7c42cb [0,2,0,0,0,0|1,0,0]=3 15795 B13R0.61 CCCCCCCN[C@@H](CCl)C(=O)O 218b8f0b70083e67eeaf33e44e8a0d7b [0,2,0,0,0,0|1,0,0]=3 15796 B13R0.61 CCCCCCCN[C@@H](CO)C(=O)N e26dd230493acb15e03a7bb0f7068405 [0,2,0,0,0,0|2,0,0]=4 15797 B13R0.61 CCCCCCCN[C@@H](CO)C(=O)O c73b9624dcd81b11fa315fc0f5f0c6c4 [0,2,0,0,0,0|1,0,0]=3 15798 B13R0.61 CCCCCCCN[C@@H](CS)C(=O)O 9f42d869a8ebac7ba30dea394e7959c8 [0,2,0,0,0,0|1,0,0]=3 15799 B13R0.61 CCCCCCCN[C@H](CC)C(=O)O f0b53c52cc4c2302f340b52c05b7349f [0,2,0,0,0,0|1,0,0]=3 15800 B13R0.61 CCCCCCCN[C@H](CCl)C(=O)O f4f0f82e701714b9d4452bb836a765a9 [0,2,0,0,0,0|1,0,0]=3 15801 B13R0.61 CCCCCCCN[C@H](CO)C(=O)O a07bb223faaea487028e3060ee2cf806 [0,2,0,0,0,0|1,0,0]=3 15802 B13R0.61 CCCCCCCN[C@H](CS)C(=O)O b36c729875b0b7f874af124343a5a912 [0,2,0,0,0,0|1,0,0]=3 15803 B13R0.61 CCCCCCCOC(CC)C(=O)N ea9831e3d859d0272a043052f9c489c4 [0,2,0,0,0,0|2,0,0]=4 15804 B13R0.61 CCCCCCCOC(CC)C(=O)O e7d3a0a3cf1f212e63d4d059125feb21 [0,2,0,0,0,0|1,0,0]=3 15805 B13R0.61 CCCCCCCOC(CF)C(=O)O 7b2e05333e251cbfbd4a698ae3845d6e [0,2,0,0,0,0|1,0,0]=3 15806 B13R0.61 CCCCCCCO[C@@H](CC)C(=O)O 91bd01b255400c1f4ba7cf36c92abf03 [0,2,0,0,0,0|1,0,0]=3 15807 B13R0.61 CCCCCCCO[C@H](CC)C(=O)O 8a8b8e0bd9e7ff55d387c7cd6771447c [0,2,0,0,0,0|1,0,0]=3 15808 B13R0.61 CCCCCCCO[C@H](CF)C(=O)O 1d5649c862c183101167fbd3732f8d4b [0,2,0,0,0,0|1,0,0]=3 15809 B13R0.61 CCCCCCNCC(C#N)C(=O)O 11d3a3833a3771e3e99d562720f843c9 [0,2,0,0,0,0|1,0,0]=3 15810 B13R0.61 CCCCCCNC[C@H](CC)C(=O)O b71c829d395db5a10f177ebced660c60 [0,2,0,0,0,0|1,0,0]=3 15811 B13R0.61 CCCCCCNC[C@H](CO)C(=O)O 8b58124ca1381cc53a2ac1812d414013 [0,2,0,0,0,0|1,0,0]=3 15812 B13R0.61 CCCCCNCCC(OC)C(=O)O a541ba923faab7bf4a4522abf1e51358 [0,2,0,0,0,0|1,0,0]=3 15813 B13R0.61 CCCCOCCNC(CC)C(=O)O 08a110d34e9d0de40caee226772ea914 [0,2,0,0,0,0|2,0,0]=4 15814 B13R0.61 CCCCOCCNC(CCl)C(=O)O 0c3c30b09a5677831471ae8a6ec32291 [0,2,0,0,0,0|2,0,0]=4 15815 B13R0.61 CCCCOCCNC(CF)C(=O)O ad2296ae7cc922e5a9d166f6d6cbf498 [0,2,0,0,0,0|2,0,0]=4 15816 B13R0.61 CCCCOCCNC(CO)C(=O)O 6a77a75d74b23db9dd9490726d6089cb [0,2,0,0,0,0|2,0,0]=4 15817 B13R0.61 CCCCOCCNC(CS)C(=O)O d417d80cfa415cc57395836f31b1ab91 [0,2,0,0,0,0|2,0,0]=4 15818 B13R0.61 CCCCOCCN[C@@H](CC)C(=O)O 770210c08937a2de6cbec16ae805d025 [0,2,0,0,0,0|2,0,0]=4 15819 B13R0.61 CCCCOCCN[C@@H](CCl)C(=O)O 9323fc96f9aad2ad37b4aa7aee6a4f83 [0,2,0,0,0,0|2,0,0]=4 15820 B13R0.61 CCCCOCCN[C@@H](CO)C(=O)O 9740e078657fe7459149d125b8fe8b64 [0,2,0,0,0,0|2,0,0]=4 15821 B13R0.61 CCCCOCCN[C@@H](CS)C(=O)O 0f9d7e861a87c54f15c0373d1152d786 [0,2,0,0,0,0|2,0,0]=4 15822 B13R0.61 CCCCOCCN[C@H](CC)C(=O)O f3cb30838db4c7c6c8512ab7ba699ced [0,2,0,0,0,0|2,0,0]=4 15823 B13R0.61 CCCCOCCN[C@H](CCl)C(=O)O 529b216b60c58ec1a590ce6efd849160 [0,2,0,0,0,0|2,0,0]=4 15824 B13R0.61 CCCCOCCN[C@H](CO)C(=O)O 6e97b8c9820b0d3b2ea52813698e6813 [0,2,0,0,0,0|2,0,0]=4 15825 B13R0.61 CCCCOCCN[C@H](CS)C(=O)O 78558763c029b9e15b3faeaaf73a0314 [0,2,0,0,0,0|2,0,0]=4 15826 B13R0.61 CCCCOCCOC(CC)C(=O)O 6cd2eb43a2ff1eb85cc04ff59ba6cdba [0,2,0,0,0,0|2,0,0]=4 15827 B13R0.61 CCCCOCCOC(CF)C(=O)O 2eb3574867937c3c5e99d55b014b89d6 [0,2,0,0,0,0|2,0,0]=4 15828 B13R0.61 CCCCOCCO[C@@H](CC)C(=O)O d6cf45c692e26fc3a0208e303cf8e78d [0,2,0,0,0,0|2,0,0]=4 15829 B13R0.61 CCCCOCCO[C@H](CC)C(=O)O 8b5e485c70a622294e341b3d29e75b19 [0,2,0,0,0,0|2,0,0]=4 15830 B13R0.61 CCCCOCCO[C@H](CF)C(=O)O 5d74f7b3706d3efe78d1efc03afbcfce [0,2,0,0,0,0|2,0,0]=4 15831 B13R0.61 CCCCOCNCC(C#N)C(=O)O e28f62dfcf2f090404ade6271b100dfc [0,2,0,0,0,0|2,0,0]=4 15832 B13R0.61 CCCCOCNC[C@H](CC)C(=O)O be1d4403f83cb1c05495447339fb8fd0 [0,2,0,0,0,0|2,0,0]=4 15833 B13R0.61 CCCCOCNC[C@H](CO)C(=O)O 5302bc255a6dc0d468113be9817f1cac [0,2,0,0,0,0|2,0,0]=4 15834 B13R0.61 CCCCSCCOC(CC)C(=O)O 4461b526e83bb0da90015f9675ecbe77 [0,2,0,0,0,0|2,0,0]=4 15835 B13R0.61 CCCCSCCO[C@@H](CC)C(=O)O d88904dc0635d729192cbcc8bcbd53b4 [0,2,0,0,0,0|2,0,0]=4 15836 B13R0.61 CCCCSCCO[C@H](CC)C(=O)O 12450a83f2db9895d38b2f9d195886fd [0,2,0,0,0,0|2,0,0]=4 15837 B13R0.61 CCCOCCCNC(CC)C(=O)O 341453e109bd9c825fb0d9c2126b58de [0,2,0,0,0,0|2,0,0]=4 15838 B13R0.61 CCCOCCCNC(CCl)C(=O)O 9341b5f0c5e60c02c6d84df46c2f7390 [0,2,0,0,0,0|2,0,0]=4 15839 B13R0.61 CCCOCCCNC(CF)C(=O)O 7e763cc9b21501b1a00a23d8ee410524 [0,2,0,0,0,0|2,0,0]=4 15840 B13R0.61 CCCOCCCNC(CO)C(=O)O ac2e491f80cf5f275dc8016ca2a62a7a [0,2,0,0,0,0|2,0,0]=4 15841 B13R0.61 CCCOCCCNC(CS)C(=O)O 4a6630a672e2c3985f90bb11be04333e [0,2,0,0,0,0|2,0,0]=4 15842 B13R0.61 CCCOCCCN[C@@H](CC)C(=O)O fd70dac019fb336654ec3964ddfac37e [0,2,0,0,0,0|2,0,0]=4 15843 B13R0.61 CCCOCCCN[C@@H](CCl)C(=O)O ba02187cdde140927e471ac392fe8d7a [0,2,0,0,0,0|2,0,0]=4 15844 B13R0.61 CCCOCCCN[C@@H](CO)C(=O)O d980b5b60edfb7da22e194fa0913ba26 [0,2,0,0,0,0|2,0,0]=4 15845 B13R0.61 CCCOCCCN[C@@H](CS)C(=O)O 586d71b401a3e019a0199577e9b9cea5 [0,2,0,0,0,0|2,0,0]=4 15846 B13R0.61 CCCOCCCN[C@H](CC)C(=O)O f785e102cf47e1fa55ea275e6e0ca900 [0,2,0,0,0,0|2,0,0]=4 15847 B13R0.61 CCCOCCCN[C@H](CCl)C(=O)O e91fae18a8c7231e113d8c55c8faa501 [0,2,0,0,0,0|2,0,0]=4 15848 B13R0.61 CCCOCCCN[C@H](CO)C(=O)O 7f178b237ca352bacf85ede8f9ec4d71 [0,2,0,0,0,0|2,0,0]=4 15849 B13R0.61 CCCOCCCN[C@H](CS)C(=O)O d663790752a7d69b02befcddc224c9d2 [0,2,0,0,0,0|2,0,0]=4 15850 B13R0.61 CCCOCCCOC(CC)C(=O)O 42c8ff99a829e1da132363bffb3caa21 [0,2,0,0,0,0|2,0,0]=4 15851 B13R0.61 CCCOCCCO[C@@H](CC)C(=O)O 9686a7486e9c02dba3a498ccae4a1548 [0,2,0,0,0,0|2,0,0]=4 15852 B13R0.61 CCCOCCCO[C@H](CC)C(=O)O c8079728c22171a871d77d0385abf01d [0,2,0,0,0,0|2,0,0]=4 15853 B13R0.61 CCCOCCCO[C@H](CF)C(=O)O 83ad300632154da8907659fd2dad269e [0,2,0,0,0,0|2,0,0]=4 15854 B13R0.61 CCCOCCNCC(C#N)C(=O)O a5befbfe8d13b45a2b0bdaa1145a34c8 [0,2,0,0,0,0|2,0,0]=4 15855 B13R0.61 CCCOCCNC[C@H](CC)C(=O)O 6116661bdb36895cad2a34f5889ad0c3 [0,2,0,0,0,0|2,0,0]=4 15856 B13R0.61 CCCOCCNC[C@H](CO)C(=O)O b01b39b3cec112e4dbacf21ae85b760e [0,2,0,0,0,0|2,0,0]=4 15857 B13R0.61 CCOCCCNCC(C#N)C(=O)O a2ebdf7bea477fad5c978bb96b86415c [0,2,0,0,0,0|2,0,0]=4 15858 B13R0.61 CCOCCCNC[C@H](CC)C(=O)O 16cff8b244928dd7222b21cdd118c787 [0,2,0,0,0,0|2,0,0]=4 15859 B13R0.61 CCOCCCNC[C@H](CO)C(=O)O 45295ae65a3f31a051757b686255b755 [0,2,0,0,0,0|2,0,0]=4 15860 B13R0.61 CCOCCNCCC(OC)C(=O)O bdc464466caf6d136367ef5f8a005e50 [0,2,0,0,0,0|2,0,0]=4 15861 B13R0.61 CCSCCCCNC(CC)C(=O)O 460d1b051972a992ebb4074d85ab64a6 [0,2,0,0,0,0|2,0,0]=4 15862 B13R0.61 CCSCCCCNC(CF)C(=O)O bbfb1262f991fce115ae7826be56ea00 [0,2,0,0,0,0|2,0,0]=4 15863 B13R0.61 CCSCCCCNC(CO)C(=O)O ed05bb74851db372be55eeee24e25aee [0,2,0,0,0,0|2,0,0]=4 15864 B13R0.61 CCSCCCCN[C@@H](CC)C(=O)O 1d181dccffc3fec8c445b9760e853d24 [0,2,0,0,0,0|2,0,0]=4 15865 B13R0.61 CCSCCCCN[C@@H](CO)C(=O)O af69a9d722718aeb2b0cbe3a18c3cd23 [0,2,0,0,0,0|2,0,0]=4 15866 B13R0.61 CCSCCCCN[C@H](CC)C(=O)O bebe4f259906955360a802edaf397c2c [0,2,0,0,0,0|2,0,0]=4 15867 B13R0.61 CCSCCCCN[C@H](CO)C(=O)O ea268aa0d92536f21486f4b52fd2a92c [0,2,0,0,0,0|2,0,0]=4 15868 B13R0.61 CCSCCCNCC(C#N)C(=O)O fa8b013dae38aa03ffff6e86254f23a1 [0,2,0,0,0,0|2,0,0]=4 15869 B13R0.61 CCSCCCNC[C@H](CC)C(=O)O 2263476d4b0801ab1b7a56ea198213c7 [0,2,0,0,0,0|2,0,0]=4 15870 B13R0.61 CCSCCCNC[C@H](CO)C(=O)O 7338f7ab04c5756c7301ea75cac0ffba [0,2,0,0,0,0|2,0,0]=4 15871 B13R0.61 CC[C@@H](CNCCCCCF)C(=O)O 5fb9b6406194e2f8c269845cc718dde3 [0,2,0,0,0,0|2,0,0]=4 15872 B13R0.61 CC[C@@H](CNCCCCCO)C(=O)O d0cdf1b7f0063b8d2b1355f13e045e07 [0,2,0,0,0,0|2,0,0]=4 15873 B13R0.61 CC[C@@H](CNCCCCOC)C(=O)O c79cf7d9fb6ba18a550c319682593457 [0,2,0,0,0,0|2,0,0]=4 15874 B13R0.61 CC[C@@H](NCCCCCCCl)C(=O)O a316e32275d0bb0e69c55114660f0520 [0,2,0,0,0,0|2,0,0]=4 15875 B13R0.61 CC[C@@H](NCCCCCCF)C(=O)O 4aea70d8a3898c8f231de5b4ad78e410 [0,2,0,0,0,0|2,0,0]=4 15876 B13R0.61 CC[C@@H](NCCCCCCO)C(=O)O f38c0728f50fd8bb879f5d1a52addaa3 [0,2,0,0,0,0|2,0,0]=4 15877 B13R0.61 CC[C@@H](NCCCCCOC)C(=O)O 4e91b79f99fc4024c4dd5cc8f42597f2 [0,2,0,0,0,0|2,0,0]=4 15878 B13R0.61 CC[C@@H](OCCCCCCF)C(=O)O e0a222546d6807d44d87cbb5075cd5d7 [0,2,0,0,0,0|2,0,0]=4 15879 B13R0.61 CC[C@@H](OCCCCCCS)C(=O)O 7a3abebdd2ccb41dcc6d8b6ad0853799 [0,2,0,0,0,0|2,0,0]=4 15880 B13R0.61 CC[C@@H](OCCCCCOC)C(=O)O ad6a75b3901575f0f4a9c1f2acb0bc01 [0,2,0,0,0,0|2,0,0]=4 15881 B13R0.61 CC[C@H](NCCCCCCCl)C(=O)O cb13fb4861978c248d16784d7552f470 [0,2,0,0,0,0|2,0,0]=4 15882 B13R0.61 CC[C@H](NCCCCCCF)C(=O)O 127d0b877ad08771a248e38834c13f1f [0,2,0,0,0,0|2,0,0]=4 15883 B13R0.61 CC[C@H](NCCCCCCO)C(=O)O 9f5e869a3495c275b3b5a5838f0b9f24 [0,2,0,0,0,0|2,0,0]=4 15884 B13R0.61 CC[C@H](NCCCCCOC)C(=O)O 4348ed3e83291c7f216d8ce0b128a1d2 [0,2,0,0,0,0|2,0,0]=4 15885 B13R0.61 CC[C@H](OCCCCCCF)C(=O)O b31fbfeffa5eab78ad1f15b1272cf55c [0,2,0,0,0,0|2,0,0]=4 15886 B13R0.61 CC[C@H](OCCCCCCS)C(=O)O 838e3ca5b47e4c3db640bcab94ea88a1 [0,2,0,0,0,0|2,0,0]=4 15887 B13R0.61 CC[C@H](OCCCCCOC)C(=O)O cca2caec17b301096653c1e4e47de7a8 [0,2,0,0,0,0|2,0,0]=4 15888 B13R0.61 COC(CCNCCCCF)C(=O)O cd39d38f9852d09f3ec4249959a7840b [0,2,0,0,0,0|2,0,0]=4 15889 B13R0.61 COC(CCNCCCCO)C(=O)O 85a34900a9afb4218a75051fbe42ae69 [0,2,0,0,0,0|2,0,0]=4 15890 B13R0.61 COC(CCNCCCSC)C(=O)O 20f5f780bce62edf94d4b63074547e85 [0,2,0,0,0,0|2,0,0]=4 15891 B13R0.61 COCCCCCNC(CCl)C(=O)O 973731335cafb47829efbbc99fc44819 [0,2,0,0,0,0|2,0,0]=4 15892 B13R0.61 COCCCCCNC(CF)C(=O)O 34639364c28095b019515dac24eb5b73 [0,2,0,0,0,0|2,0,0]=4 15893 B13R0.61 COCCCCCNC(CO)C(=O)O e6798c7eedb871fe1cbbe35ef90a2a41 [0,2,0,0,0,0|2,0,0]=4 15894 B13R0.61 COCCCCCNC(CS)C(=O)O b0afa6e00da5a812a187ca6f4361b0ca [0,2,0,0,0,0|2,0,0]=4 15895 B13R0.61 COCCCCCN[C@@H](CCl)C(=O)O 0689d01f58ecad82d0994bb8392c2793 [0,2,0,0,0,0|2,0,0]=4 15896 B13R0.61 COCCCCCN[C@@H](CO)C(=O)O df4e556070e2157e542f252da259fe8d [0,2,0,0,0,0|2,0,0]=4 15897 B13R0.61 COCCCCCN[C@@H](CS)C(=O)O a6c62a61a029e6888a7ea7cfbccb54ef [0,2,0,0,0,0|2,0,0]=4 15898 B13R0.61 COCCCCCN[C@H](CCl)C(=O)O 6299d2c5a60bb8dd57edcd722186bb17 [0,2,0,0,0,0|2,0,0]=4 15899 B13R0.61 COCCCCCN[C@H](CO)C(=O)O 1dc6dc794a7722f50fe997e259bd0594 [0,2,0,0,0,0|2,0,0]=4 15900 B13R0.61 COCCCCCN[C@H](CS)C(=O)O d738566881b65c615df7a13c73496c76 [0,2,0,0,0,0|2,0,0]=4 15901 B13R0.61 COCCCCCO[C@H](CF)C(=O)O 4cf335335424414ca280fa3d4abf805f [0,2,0,0,0,0|2,0,0]=4 15902 B13R0.61 COCCCCNCC(C#N)C(=O)O 9e4b15e61cc2c6590c002d442fce9175 [0,2,0,0,0,0|2,0,0]=4 15903 B13R0.61 COCCCCNC[C@H](CO)C(=O)O 3c0f39528e8edd224a9bdcaa408869fe [0,2,0,0,0,0|2,0,0]=4 15904 B13R0.61 COCCCNCCC(OC)C(=O)O 74c730870c34d9029891c6f65734dca8 [0,2,0,0,0,0|2,0,0]=4 15905 B13R0.61 N#CC(CNCCCCCF)C(=O)O b0cd5b1d142dc72c651feda01a61de12 [0,2,0,0,0,0|2,0,0]=4 15906 B13R0.61 N#CC(CNCCCCCO)C(=O)O b015ba686cf81fb4b17c0430c0e925ac [0,2,0,0,0,0|2,0,0]=4 15907 B13R0.61 O=C(O)C(CCl)NCCCCCCF 08d46d8befcc04c0f650322c9fa4e838 [0,2,0,0,0,0|2,0,0]=4 15908 B13R0.61 O=C(O)C(CCl)NCCCCCCO 7a576f726a89ce7eea67b76bc1e65b49 [0,2,0,0,0,0|2,0,0]=4 15909 B13R0.61 O=C(O)C(CF)NCCCCCCCl 173c94c96a50c3d9afc7714cff5b9961 [0,2,0,0,0,0|2,0,0]=4 15910 B13R0.61 O=C(O)C(CF)NCCCCCCF 90c1e54c5725c84525ec28f32499053c [0,2,0,0,0,0|2,0,0]=4 15911 B13R0.61 O=C(O)C(CF)NCCCCCCO 99c073bee4e4a5717ef688b57069e9e4 [0,2,0,0,0,0|2,0,0]=4 15912 B13R0.61 O=C(O)C(CF)OCCCCCCF 738a8bc9f742cd3449930999610e75b2 [0,2,0,0,0,0|2,0,0]=4 15913 B13R0.61 O=C(O)C(CO)NCCCCCCCl d729822497be338512c1b739c78437f2 [0,2,0,0,0,0|2,0,0]=4 15914 B13R0.61 O=C(O)C(CO)NCCCCCCF c10350cb9cccf0c78188de215c0fff87 [0,2,0,0,0,0|2,0,0]=4 15915 B13R0.61 O=C(O)C(CO)NCCCCCCO d9f3f6d0f73981309812e3439516d206 [0,2,0,0,0,0|2,0,0]=4 15916 B13R0.61 O=C(O)C(CS)NCCCCCCF 62ee6c12a827afde81a10277de23ec1f [0,2,0,0,0,0|2,0,0]=4 15917 B13R0.61 O=C(O)C(CS)NCCCCCCO 7d9eb4b9c4be8735c92bae320db983ef [0,2,0,0,0,0|2,0,0]=4 15918 B13R0.61 O=C(O)[C@@H](CCl)NCCCCCCF 3bd918d0173e17a171f93b20bdd819fc [0,2,0,0,0,0|2,0,0]=4 15919 B13R0.61 O=C(O)[C@@H](CCl)NCCCCCCO a0cfc3827528cf57880a4302680d8a6e [0,2,0,0,0,0|2,0,0]=4 15920 B13R0.61 O=C(O)[C@@H](CO)CNCCCCCF 4f374a7552c6bebb53ed44366365528e [0,2,0,0,0,0|2,0,0]=4 15921 B13R0.61 O=C(O)[C@@H](CO)CNCCCCCO 4232884959150f5fdda4d75ea4c67af0 [0,2,0,0,0,0|2,0,0]=4 15922 B13R0.61 O=C(O)[C@@H](CO)NCCCCCCCl 82c8d8db6be8d1d88a34e1ea0ddba777 [0,2,0,0,0,0|2,0,0]=4 15923 B13R0.61 O=C(O)[C@@H](CO)NCCCCCCF 162d0ae70734528c03a978473a005db4 [0,2,0,0,0,0|2,0,0]=4 15924 B13R0.61 O=C(O)[C@@H](CO)NCCCCCCO 5f9fb4ec79b6f3a3d5ae6b4248014423 [0,2,0,0,0,0|2,0,0]=4 15925 B13R0.61 O=C(O)[C@@H](CS)NCCCCCCF a86ae6cc62701554bf948acc87742864 [0,2,0,0,0,0|2,0,0]=4 15926 B13R0.61 O=C(O)[C@@H](CS)NCCCCCCO 0c0b318c0b6c77ae40facb6e8dc63e10 [0,2,0,0,0,0|2,0,0]=4 15927 B13R0.61 O=C(O)[C@H](CCl)NCCCCCCF 2b53943ef821620727b0e7a6140f2f5b [0,2,0,0,0,0|2,0,0]=4 15928 B13R0.61 O=C(O)[C@H](CCl)NCCCCCCO 45d692afca3a1acbddcdba22dd88692c [0,2,0,0,0,0|2,0,0]=4 15929 B13R0.61 O=C(O)[C@H](CO)NCCCCCCCl 7a6d89782ca9890c953fc8c78247c2ac [0,2,0,0,0,0|2,0,0]=4 15930 B13R0.61 O=C(O)[C@H](CO)NCCCCCCF 3160e35f346301b0a15f2b4ffe59b169 [0,2,0,0,0,0|2,0,0]=4 15931 B13R0.61 O=C(O)[C@H](CO)NCCCCCCO 2fb823baa77bc2b8f0c9390c3f72dcb8 [0,2,0,0,0,0|2,0,0]=4 15932 B13R0.61 O=C(O)[C@H](CS)NCCCCCCF e42a8f876735afa3a02df501c4d8cdfa [0,2,0,0,0,0|2,0,0]=4 15933 B13R0.61 O=C(O)[C@H](CS)NCCCCCCO d3b3ea450c82b12f99cabeca9332b2e8 [0,2,0,0,0,0|2,0,0]=4 15934 B13R0.91 C=C(COCCC(C)CCC)C(=O)O 36f6d7cb751177776946cf9ae930b128 [0,2,0,0,0,0|1,0,1]=4 15935 B13R0.91 C=C(COCCC(S)CCC)C(=O)O 184f3266300782236c10f86221c51c1b [0,2,0,0,0,0|1,0,1]=4 15936 B13R0.91 CC(CCCN[C@@H](C)CCO)C(=O)O 0ea990e3091a098a152d084e57841df7 [0,2,0,0,0,0|2,0,0]=4 15937 B13R0.91 CC(CCCN[C@H](C)CCO)C(=O)O b21b0d3ac75a3cb43dee614e69f1ad40 [0,2,0,0,0,0|2,0,0]=4 15938 B13R0.91 CC(CCO)NCCCC(C)C(=O)O 093f303b3b32772fc079cea9f9d12734 [0,2,0,0,0,0|2,0,0]=4 15939 B13R0.91 CCCC(=O)CNCCC(F)C(=O)O 5b9ac5e9e516b8b71bed3df324027f1e [0,2,0,0,0,0|1,0,1]=4 15940 B13R0.91 CCCC(=O)CNCCC(O)C(=O)O 48d945f51a4d432ba3e2dca9fb8baba1 [0,2,0,0,0,0|1,0,1]=4 15941 B13R0.91 CCCC(=O)CNCC[C@H](O)C(=O)O ba380a2691917237a1954a34fa77cd25 [0,2,0,0,0,0|1,0,1]=4 15942 B13R0.91 CCCC(=S)OCCCC(C)C(=O)O 4a6e6a3e582d545c208dbd539358b2b9 [0,2,0,0,0,0|1,0,1]=4 15943 B13R0.91 CCCC(C)CCCOC(C)C(=O)C b9223eab7c33d8f714b42de68eec4c83 [0,2,0,0,0,0|2,0,0]=4 15944 B13R0.91 CCCC(C)CCCOC(C)C(=O)N 8c12eac94e9d99d7c667888cd55da50d [0,2,0,0,0,0|2,0,0]=4 15945 B13R0.91 CCCC(C)CCCOC(C)C(=O)O 513e803742354a12e9260216c913ed3e [0,2,0,0,0,0|1,0,0]=3 15946 B13R0.91 CCCC(C)CCCOC(F)C(=O)N a2e4d01cb83aada0e8773ee00b221923 [0,2,0,0,0,0|2,0,0]=4 15947 B13R0.91 CCCC(C)CCCOC(F)C(=O)O da86851a50a90d57a09c8fbab55b1dd9 [0,2,0,0,0,0|1,0,0]=3 15948 B13R0.91 CCCC(C)CCCO[C@@H](C)C(=O)N 1c43427a0ba5ecdd76783b20ab2e20d7 [0,2,0,0,0,0|2,0,0]=4 15949 B13R0.91 CCCC(C)CCCO[C@@H](C)C(=O)O b3fc43bd3c85688a10d6c04b7d7c3df2 [0,2,0,0,0,0|1,0,0]=3 15950 B13R0.91 CCCC(C)CCCO[C@@H](F)C(=O)O 9debbe614f4e5d53e9775fe0e305ede9 [0,2,0,0,0,0|1,0,0]=3 15951 B13R0.91 CCCC(C)CCCO[C@H](C)C(=O)N 55d43bb0e8b377b90acd61d53f68a6f0 [0,2,0,0,0,0|2,0,0]=4 15952 B13R0.91 CCCC(C)CCCO[C@H](C)C(=O)O 1b8b5f6b65584327169d8171714615ca [0,2,0,0,0,0|1,0,0]=3 15953 B13R0.91 CCCC(C)CCOCC(=O)C(=O)O d4eb035e91c7926884e5a8a1cfbf2f95 [0,2,0,0,0,0|1,0,1]=4 15954 B13R0.91 CCCC(C)CCOCC(C)C(=O)O 8b78e96d61685371fe12a556b885cf03 [0,2,0,0,0,0|1,0,0]=3 15955 B13R0.91 CCCC(C)CNCCC(F)C(=O)O 2724b335893558a09bd785b2399545ed [0,2,0,0,0,0|1,0,0]=3 15956 B13R0.91 CCCC(C)CNCCC(O)C(=O)O 1e041a7a9ce1a3c0b04501639bfb2973 [0,2,0,0,0,0|1,0,0]=3 15957 B13R0.91 CCCC(C)CNCC[C@H](O)C(=O)O 450862d7cbf0e76e1195945fb252d353 [0,2,0,0,0,0|1,0,0]=3 15958 B13R0.91 CCCC(C)NCCCC(C)C(=O)O bcba6505093f322403a2770038c56d80 [0,2,0,0,0,0|1,0,0]=3 15959 B13R0.91 CCCC(C)OCCCC(C)C(=O)O d02b3d259fc431214648dfae82985150 [0,2,0,0,0,0|1,0,0]=3 15960 B13R0.91 CCCC(S)CCOCC(=O)C(=O)O 698ef9cacd216ab1573c14243d0e5432 [0,2,0,0,0,0|1,0,1]=4 15961 B13R0.91 CCCC(S)CCOCC(C)C(=O)O 065f04204f33d9367bb53da4231ca145 [0,2,0,0,0,0|1,0,0]=3 15962 B13R0.91 CCC[C@@H](C)OCCCC(C)C(=O)O 1b71e86290a0c4c969ae0b3176a89ef7 [0,2,0,0,0,0|1,0,0]=3 15963 B13R0.91 CCC[C@H](C)NCCCC(C)C(=O)O 133067b7d7d4fa9dcb0cb89dd8eae818 [0,2,0,0,0,0|1,0,0]=3 15964 B13R0.91 CCC[C@H](C)OCCCC(C)C(=O)O fa4108e2fa5a79031b6683c6f04c739f [0,2,0,0,0,0|1,0,0]=3 15965 B13R0.91 COCC(C)NCCCC(C)C(=O)O 6930814bb4f3bd6e1a0328f2915b6912 [0,2,0,0,0,0|2,0,0]=4 15966 B13R0.91 COCC(C)OCCCC(C)C(=O)O b8eb021a4e5c517a2998838b000a3adf [0,2,0,0,0,0|2,0,0]=4 15967 B13R0.91 COCC(O)CNCCC(F)C(=O)O da21d4c2afa9983f922e8bca6126dd95 [0,2,0,0,0,0|2,0,0]=4 15968 B13R0.91 COCC(O)CNCCC(O)C(=O)O 515bb9f335000d85c28b5a7de53e9287 [0,2,0,0,0,0|2,0,0]=4 15969 B13R0.91 COCC(O)CNCC[C@H](O)C(=O)O d15496bf4eac6cd29b7dce45478c4f13 [0,2,0,0,0,0|2,0,0]=4 15970 B13R0.91 COC[C@@H](C)NCCCC(C)C(=O)O a70498c6b75b9210b2052778d5f6f2a9 [0,2,0,0,0,0|2,0,0]=4 15971 B13R0.91 COC[C@@H](C)OCCCC(C)C(=O)O 6068b7c23710ecb16cf58f8fde06c934 [0,2,0,0,0,0|2,0,0]=4 15972 B13R0.91 COC[C@H](C)NCCCC(C)C(=O)O fdbd8442e5c78bcd71b3353c8ecba596 [0,2,0,0,0,0|2,0,0]=4 15973 B13R0.91 COC[C@H](C)OCCCC(C)C(=O)O 0fda9f050a21380fcb6b48abf071f446 [0,2,0,0,0,0|2,0,0]=4 15974 B13R0.91 CSCC(C)OCCCC(C)C(=O)O 9ebc0b154a8f49800676a07e0f4d5c67 [0,2,0,0,0,0|2,0,0]=4 15975 B13R0.91 O=C(O)C(F)CCNC[C@@H](O)CCO 218ef26e512f75482137bee5d53b6aee [0,2,0,0,0,0|2,0,0]=4 15976 B13R0.91 O=C(O)C(O)CCNC[C@@H](O)CCO 393f233b65d116fd1344ef5cf16b755a [0,2,0,0,0,0|2,0,0]=4 15977 B13R0.91 O=C(O)[C@@H](O)CCNC[C@@H](O)CCO 6b7260be7da6ed14b43f8bfd2612bb1e [0,2,0,0,0,0|2,0,0]=4 15978 B13R0.284 C=C(CN(C)CCCCCC)C(=O)O 9f582f6bc23f56af4667b9b020309d90 [0,2,0,0,0,0|1,0,1]=4 15979 B13R0.284 CC(CN(C)CCCCCO)C(=O)O 5e8ccccbb25189ca765fd1cac816a92f [0,2,0,0,0,0|2,0,0]=4 15980 B13R0.284 CCCCCCC(C)NC(C)C(=O)C bce8b4f823a9995963218e5647babfea [0,2,0,0,0,0|2,0,0]=4 15981 B13R0.284 CCCCCCC(C)NC(C)C(=O)N 5e972beb314786293d51715ded89a91d [0,2,0,0,0,0|2,0,0]=4 15982 B13R0.284 CCCCCCC(C)NC(C)C(=O)O 597373f156426f8c8863d28dc361e3d3 [0,2,0,0,0,0|1,0,0]=3 15983 B13R0.284 CCCCCCC(C)NC(F)C(=O)N c2a425d86eae765019093e1931feeef6 [0,2,0,0,0,0|2,0,0]=4 15984 B13R0.284 CCCCCCC(C)NC(O)C(=O)O a1e500b8a239132e0c137e106e668cd1 [0,2,0,0,0,0|1,0,0]=3 15985 B13R0.284 CCCCCCC(C)N[C@@H](C)C(=O)N f247d27a3eb01bcf5c4f0dc5765205ca [0,2,0,0,0,0|2,0,0]=4 15986 B13R0.284 CCCCCCC(C)N[C@@H](C)C(=O)O 109d79d17cf7b7fbb0a43d26d0bedf77 [0,2,0,0,0,0|1,0,0]=3 15987 B13R0.284 CCCCCCC(C)N[C@H](C)C(=O)N f8ff58ff69735be10c33f3683de8db84 [0,2,0,0,0,0|2,0,0]=4 15988 B13R0.284 CCCCCCC(C)N[C@H](C)C(=O)O cb4a2c9fca6dedae7e88ec6a2f019e9c [0,2,0,0,0,0|1,0,0]=3 15989 B13R0.284 CCCCCCC(C)OC(C)C(=O)C d3938120ae975d1b1139210ccb59c940 [0,2,0,0,0,0|2,0,0]=4 15990 B13R0.284 CCCCCCC(C)OC(C)C(=O)N 47e07b6352b5f553ccabfa3f5a66e572 [0,2,0,0,0,0|2,0,0]=4 15991 B13R0.284 CCCCCCC(C)OC(F)C(=O)N c2c386e9b522f3e60d9a0aca11c352f8 [0,2,0,0,0,0|2,0,0]=4 15992 B13R0.284 CCCCCCC(C)O[C@@H](C)C(=O)N ef3c218dd6d08e47705b8f1655d0347f [0,2,0,0,0,0|2,0,0]=4 15993 B13R0.284 CCCCCCC(C)O[C@H](C)C(=O)N cd3c633fe61ecd36865ed2fca1700b84 [0,2,0,0,0,0|2,0,0]=4 15994 B13R0.284 CCCCCCN(C)CC(=O)C(=O)O 3212cea1fe0ab8158395f04a4e8b6a3a [0,2,0,0,0,0|1,0,1]=4 15995 B13R0.284 CCCCCCN(C)CC(C)C(=O)O 763c4a03de2aa0e353342753f4286107 [0,2,0,0,0,0|1,0,0]=3 15996 B13R0.284 CCCCCCN(C)C[C@H](O)C(=O)O f38784eb9e75d9f52bd4868bb85dbaa3 [0,2,0,0,0,0|1,0,0]=3 15997 B13R0.284 CCCCCC[C@@H](C)NC(C)C(=O)C 5a467d1c190aa0950d5ecee586025c0d [0,2,0,0,0,0|2,0,0]=4 15998 B13R0.284 CCCCCC[C@@H](C)NC(C)C(=O)N c9495a20268bbc71699c6bb8f21ee782 [0,2,0,0,0,0|2,0,0]=4 15999 B13R0.284 CCCCCC[C@@H](C)NC(C)C(=O)O 7ca2f2a9e8e4515520718644bee2b203 [0,2,0,0,0,0|1,0,0]=3 16000 B13R0.284 CCCCCC[C@@H](C)NC(F)C(=O)N f434e3aa061f43c0657c93e27021317b [0,2,0,0,0,0|2,0,0]=4 16001 B13R0.284 CCCCCC[C@@H](C)N[C@@H](C)C(=O)N e3cc4c920cb5b18b894d507a317645b9 [0,2,0,0,0,0|2,0,0]=4 16002 B13R0.284 CCCCCC[C@@H](C)N[C@@H](C)C(=O)O 09f0783ad0ae04a1b6553e554e083529 [0,2,0,0,0,0|1,0,0]=3 16003 B13R0.284 CCCCCC[C@@H](C)N[C@H](C)C(=O)N eb7f78fe68d0ab58a7b5b041f4d149a0 [0,2,0,0,0,0|2,0,0]=4 16004 B13R0.284 CCCCCC[C@@H](C)N[C@H](C)C(=O)O dfa8c589a7ddc888dbdac5f889ca7f7f [0,2,0,0,0,0|1,0,0]=3 16005 B13R0.284 CCCCCC[C@@H](C)OC(C)C(=O)C dfa975290ee8798c5223fe70cdfb1c9f [0,2,0,0,0,0|2,0,0]=4 16006 B13R0.284 CCCCCC[C@@H](C)OC(C)C(=O)N 434ff233fb7aadbf9514febfb9be30d8 [0,2,0,0,0,0|2,0,0]=4 16007 B13R0.284 CCCCCC[C@@H](C)OC(F)C(=O)N c35f4305f1baebc0ffaa051071e8eec4 [0,2,0,0,0,0|2,0,0]=4 16008 B13R0.284 CCCCCC[C@@H](C)O[C@@H](C)C(=O)N fd99df0ce73ebe7a29bdfddf3b5fcc8a [0,2,0,0,0,0|2,0,0]=4 16009 B13R0.284 CCCCCC[C@@H](C)O[C@H](C)C(=O)N 3758b1b32655fd3092dcbdb9a9646d55 [0,2,0,0,0,0|2,0,0]=4 16010 B13R0.284 CCCCCC[C@H](C)NC(C)C(=O)C 3d9185e873706171225eb69d0868513d [0,2,0,0,0,0|2,0,0]=4 16011 B13R0.284 CCCCCC[C@H](C)NC(C)C(=O)N ae618d11e06ad303e0ab3fd812559f14 [0,2,0,0,0,0|2,0,0]=4 16012 B13R0.284 CCCCCC[C@H](C)NC(C)C(=O)O 257aeffcdc0163bc59da046ea76ae280 [0,2,0,0,0,0|1,0,0]=3 16013 B13R0.284 CCCCCC[C@H](C)NC(F)C(=O)N 1fe976971c8c688b48c057b2750988fc [0,2,0,0,0,0|2,0,0]=4 16014 B13R0.284 CCCCCC[C@H](C)N[C@@H](C)C(=O)N 11ab51ea76707f865afe638b50f8094b [0,2,0,0,0,0|2,0,0]=4 16015 B13R0.284 CCCCCC[C@H](C)N[C@@H](C)C(=O)O 38eac967e57a0a03e909410a28854385 [0,2,0,0,0,0|1,0,0]=3 16016 B13R0.284 CCCCCC[C@H](C)N[C@H](C)C(=O)N 398a041fe7d11c15b115ebef41520f7e [0,2,0,0,0,0|2,0,0]=4 16017 B13R0.284 CCCCCC[C@H](C)N[C@H](C)C(=O)O 0cfd1b2b93f39722486c6f00eee067b9 [0,2,0,0,0,0|1,0,0]=3 16018 B13R0.284 CCCCCC[C@H](C)OC(C)C(=O)C f981cedc8e838220e1b462da6582f0ac [0,2,0,0,0,0|2,0,0]=4 16019 B13R0.284 CCCCCC[C@H](C)OC(C)C(=O)N 2de990cbdacae59689ce67b96e4da1bf [0,2,0,0,0,0|2,0,0]=4 16020 B13R0.284 CCCCCC[C@H](C)OC(F)C(=O)N 778af8a972e96eaf6a49dc301a463759 [0,2,0,0,0,0|2,0,0]=4 16021 B13R0.284 CCCCCC[C@H](C)O[C@@H](C)C(=O)N e56761ba6652a119c0816de2e572588a [0,2,0,0,0,0|2,0,0]=4 16022 B13R0.284 CCCCCC[C@H](C)O[C@H](C)C(=O)N 2df22d1a12bb77177361163ffae139b9 [0,2,0,0,0,0|2,0,0]=4 16023 B13R0.284 CCCCOCC(C)OC(F)C(=O)O d3e5a9ca2747f005dfe368547eae5536 [0,2,0,0,0,0|2,0,0]=4 16024 B13R0.284 CCCCOCC(C)O[C@@H](F)C(=O)O 1f7cd2164b86ef625ac66e4032285829 [0,2,0,0,0,0|2,0,0]=4 16025 B13R0.284 CCCCOCN(C)C[C@H](O)C(=O)O 7d3696d9058d5f656e29245f05fd6ada [0,2,0,0,0,0|2,0,0]=4 16026 B13R0.284 CCCOCCN(C)C[C@H](O)C(=O)O 894e86c03e98e651f9fda43214242031 [0,2,0,0,0,0|2,0,0]=4 16027 B13R0.284 CCOCCCN(C)C[C@H](O)C(=O)O 4d87ba1c9dce022d4e6227c005fcea10 [0,2,0,0,0,0|2,0,0]=4 16028 B13R0.284 CCSCCCN(C)C[C@H](O)C(=O)O 0ea6275028758e101b1585080c1cb6cb [0,2,0,0,0,0|2,0,0]=4 16029 B13R0.284 CN(CCCCCF)C[C@H](O)C(=O)O 3d92b98bbb5a3cf626db7249b4a4b674 [0,2,0,0,0,0|2,0,0]=4 16030 B13R0.284 CN(CCCCCO)C[C@H](O)C(=O)O 86d1f49f4c9cd0cfbc2df4c05f7c7996 [0,2,0,0,0,0|2,0,0]=4 16031 B13R0.284 COCCCCN(C)CC(C)C(=O)O d0e5a4e7772df1c0e646f000d8011363 [0,2,0,0,0,0|2,0,0]=4 16032 B13R0.284 COCCCCN(C)C[C@H](O)C(=O)O 56c50661a21e77aeeb13a537b9478023 [0,2,0,0,0,0|2,0,0]=4 16033 B13R0.413 CC(C)(CCNCCCCF)C(=O)O 000c686dd840a2a29d15da9345d0dc84 [0,2,0,0,0,0|2,0,0]=4 16034 B13R0.413 CC(C)(CCNCCCCO)C(=O)O 0dd5e84647f82b6e40756161e014186c [0,2,0,0,0,0|2,0,0]=4 16035 B13R0.413 CC(C)(CNCCCCCCl)C(=O)O b1106cd0e041c82eba2fe395e42568c0 [0,2,0,0,0,0|2,0,0]=4 16036 B13R0.413 CC(C)(CNCCCCCF)C(=O)O c68d78710a959deb523037b339e5e821 [0,2,0,0,0,0|2,0,0]=4 16037 B13R0.413 CC(C)(CNCCCCCO)C(=O)O 2f351e1b0ece8e9982ab9853df5d0a26 [0,2,0,0,0,0|2,0,0]=4 16038 B13R0.413 CC(C)(COCCCCCF)C(=O)O f01545102e7a0aef0ccd2523afb7d5bc [0,2,0,0,0,0|2,0,0]=4 16039 B13R0.413 CC(C)(NCCCCCCF)C(=O)O 1f57cdabf5c7db33def4bfe61d9d269a [0,2,0,0,0,0|2,0,0]=4 16040 B13R0.413 CC(C)(NCCCCCCO)C(=O)O 2d33aaa8706b0c6e61207b7525a724a4 [0,2,0,0,0,0|2,0,0]=4 16041 B13R0.413 CC(O)(CNCCCCCCl)C(=O)O 68ea0c9190205002b1fd2b736439c84a [0,2,0,0,0,0|2,0,0]=4 16042 B13R0.413 CC(O)(CNCCCCCO)C(=O)O 2fea3f13f1adc52fccc5e2d003eed808 [0,2,0,0,0,0|2,0,0]=4 16043 B13R0.413 CCCCCCCNC(C)(C)C(=O)C af3994bdadb119ccafa063844ce141e4 [0,2,0,0,0,0|2,0,0]=4 16044 B13R0.413 CCCCCCCNC(C)(C)C(=O)N 19fa6e6776e51b23baa0406ab50d3b6f [0,2,0,0,0,0|2,0,0]=4 16045 B13R0.413 CCCCCCCNC(C)(C)C(=O)O ecbe83a6482e65342985511d3518e906 [0,2,0,0,0,0|1,0,0]=3 16046 B13R0.413 CCCCCCNCC(C)(C)C(=O)F 26ed316d21778ef0a3a6aa4c59bae3bb [0,2,0,0,0,0|2,0,0]=4 16047 B13R0.413 CCCCCCNCC(C)(C)C(=O)N fa921d430cd5e85a8fcca3c24f64ffde [0,2,0,0,0,0|2,0,0]=4 16048 B13R0.413 CCCCCCNCC(C)(C)C(=O)O ed4deda759d5ae8f5fe29e2e0ed05999 [0,2,0,0,0,0|1,0,0]=3 16049 B13R0.413 CCCCCCNCC(C)(O)C(=O)O e068b2b02b0da5cc341199cd27676dd0 [0,2,0,0,0,0|1,0,0]=3 16050 B13R0.413 CCCCCCNCC(F)(F)C(=O)O e3c7b207610882f70da71005a0526b59 [0,2,0,0,0,0|1,0,0]=3 16051 B13R0.413 CCCCCCNC[C@@](C)(O)C(=O)O 43f36927b6e752a7121cddaf7a80c009 [0,2,0,0,0,0|1,0,0]=3 16052 B13R0.413 CCCCCCNC[C@](C)(O)C(=O)O 954f9d8781b471a60ac18f23f6db9c26 [0,2,0,0,0,0|1,0,0]=3 16053 B13R0.413 CCCCCCOCC(C)(C)C(=O)C 7272d9b520e3d9f817852e1ce443b0fc [0,2,0,0,0,0|2,0,0]=4 16054 B13R0.413 CCCCCCOCC(C)(C)C(=O)F 3e11e59445b6a01dcf1303c08eef985d [0,2,0,0,0,0|2,0,0]=4 16055 B13R0.413 CCCCCCOCC(C)(C)C(=O)N 6b34c2c0125b0447363f2e508e340f80 [0,2,0,0,0,0|2,0,0]=4 16056 B13R0.413 CCCCCCOCC(C)(C)C(=O)O dea299303d40fcb930e77239360f9a7f [0,2,0,0,0,0|1,0,0]=3 16057 B13R0.413 CCCCCCOCC(C)(O)C(=O)O 05c133bf29675ad7d5db8ee52fe40cb1 [0,2,0,0,0,0|1,0,0]=3 16058 B13R0.413 CCCCCCOC[C@@](C)(O)C(=O)O 725469b615807d0470eb4915f5d263e0 [0,2,0,0,0,0|1,0,0]=3 16059 B13R0.413 CCCCCCOC[C@](C)(O)C(=O)O 00091361d6853c06c3cf9a82942448ce [0,2,0,0,0,0|1,0,0]=3 16060 B13R0.413 CCCCCNCCC(C)(C)C(=O)O 1a7d2e7e2eaed160489b993fea1a8e9d [0,2,0,0,0,0|1,0,0]=3 16061 B13R0.413 CCCCCOCCC(C)(C)C(=O)N 2b100529dd1417f7e3e52016614a74f0 [0,2,0,0,0,0|2,0,0]=4 16062 B13R0.413 CCCCOCCNC(C)(C)C(=O)O 1298603eabcad7da725b77d56262b014 [0,2,0,0,0,0|2,0,0]=4 16063 B13R0.413 CCCCOCNCC(C)(C)C(=O)O a2dd5516c4906e1b059c0cf6a67a0785 [0,2,0,0,0,0|2,0,0]=4 16064 B13R0.413 CCCCOCNCC(F)(F)C(=O)O 2377fb2778585dadb91fe4963769c202 [0,2,0,0,0,0|2,0,0]=4 16065 B13R0.413 CCCCOCOCC(C)(C)C(=O)O a85d3368f42999f68fd87a89755f8172 [0,2,0,0,0,0|2,0,0]=4 16066 B13R0.413 CCCOCCCNC(C)(C)C(=O)O 8cb1b977f89505c3b1683c6be79a76db [0,2,0,0,0,0|2,0,0]=4 16067 B13R0.413 CCCOCCNCC(C)(C)C(=O)O 3751137dc1bc445aa1560441a64cb386 [0,2,0,0,0,0|2,0,0]=4 16068 B13R0.413 CCCOCCNCC(C)(O)C(=O)O 50c4f1a8a57b23d7738fcae6225a73db [0,2,0,0,0,0|2,0,0]=4 16069 B13R0.413 CCCOCCNCC(F)(F)C(=O)O 1bf18ea02a2e77060477be2f8f67976a [0,2,0,0,0,0|2,0,0]=4 16070 B13R0.413 CCCOCCNC[C@@](C)(O)C(=O)O 11b077b6779a27653235e183345b6d38 [0,2,0,0,0,0|2,0,0]=4 16071 B13R0.413 CCCOCCNC[C@](C)(O)C(=O)O e7fd3f6e1d63f91353a03ef64a52dbe5 [0,2,0,0,0,0|2,0,0]=4 16072 B13R0.413 CCCOCCOCC(C)(C)C(=O)O c565fec5fbd15fafb5dab322bf6f34d4 [0,2,0,0,0,0|2,0,0]=4 16073 B13R0.413 CCCOCCOCC(C)(O)C(=O)O ccea53375775eda1a830c8208662ff56 [0,2,0,0,0,0|2,0,0]=4 16074 B13R0.413 CCCOCCOC[C@@](C)(O)C(=O)O c4271e5b1bd6ae02f3e64ca7c38eea6b [0,2,0,0,0,0|2,0,0]=4 16075 B13R0.413 CCCOCCOC[C@](C)(O)C(=O)O fcc78c8124877e94131ec7bebfaf7364 [0,2,0,0,0,0|2,0,0]=4 16076 B13R0.413 CCCSCCOCC(C)(C)C(=O)O b4241ae1d29d429c4250dd1af438ba96 [0,2,0,0,0,0|2,0,0]=4 16077 B13R0.413 CCCSCCOCC(C)(O)C(=O)O 0341db25264876d44ad5a1bd3265d4da [0,2,0,0,0,0|2,0,0]=4 16078 B13R0.413 CCCSCCOC[C@@](C)(O)C(=O)O 9ee1556ff24da976da694a469d45d258 [0,2,0,0,0,0|2,0,0]=4 16079 B13R0.413 CCCSCCOC[C@](C)(O)C(=O)O e6f277cd0612b3af84e3494eda4587cf [0,2,0,0,0,0|2,0,0]=4 16080 B13R0.413 CCOCCCNCC(C)(C)C(=O)O a8cad5a29f921303f9f26d84b76358dc [0,2,0,0,0,0|2,0,0]=4 16081 B13R0.413 CCOCCCNCC(C)(O)C(=O)O f5bc747cd0244e7b28973a82b4de36c4 [0,2,0,0,0,0|2,0,0]=4 16082 B13R0.413 CCOCCCNCC(F)(F)C(=O)O 885c384065d592bb84b13f003066aa96 [0,2,0,0,0,0|2,0,0]=4 16083 B13R0.413 CCOCCCNC[C@@](C)(O)C(=O)O 3c272bcb2a6a8fba16ea2f856c800458 [0,2,0,0,0,0|2,0,0]=4 16084 B13R0.413 CCOCCCNC[C@](C)(O)C(=O)O fb49881292629f0b054e5e3154c67b10 [0,2,0,0,0,0|2,0,0]=4 16085 B13R0.413 CCOCCCOCC(C)(C)C(=O)O 8c548c516c5ebeeb68557dfb9f038595 [0,2,0,0,0,0|2,0,0]=4 16086 B13R0.413 CCOCCCOCC(C)(O)C(=O)O 6b4ef4596322900e9794579951844537 [0,2,0,0,0,0|2,0,0]=4 16087 B13R0.413 CCOCCCOC[C@@](C)(O)C(=O)O 6a567b8d36b9a24e422c6769881b2af8 [0,2,0,0,0,0|2,0,0]=4 16088 B13R0.413 CCOCCCOC[C@](C)(O)C(=O)O 957d0605e627407ea1ad04a89ab2713e [0,2,0,0,0,0|2,0,0]=4 16089 B13R0.413 CCOCCNCCC(C)(C)C(=O)O 1e86ff34198d1be9cc4b495dd8f099f6 [0,2,0,0,0,0|2,0,0]=4 16090 B13R0.413 CCSCCCNCC(C)(C)C(=O)O b1f958ded765c429c08a5cdb62226fc7 [0,2,0,0,0,0|2,0,0]=4 16091 B13R0.413 CCSCCCNCC(F)(F)C(=O)O e2b99b969017f0d7492179ac767adce6 [0,2,0,0,0,0|2,0,0]=4 16092 B13R0.413 CCSCCCOCC(C)(C)C(=O)O a8cbd5e14bf606ddf14916fc4cab38d3 [0,2,0,0,0,0|2,0,0]=4 16093 B13R0.413 CCSCCCOCC(C)(O)C(=O)O e1a02f242a98f8846059f721390055ef [0,2,0,0,0,0|2,0,0]=4 16094 B13R0.413 CCSCCCOC[C@@](C)(O)C(=O)O 1beb17f20a2ce8ea2baf23ce45c1ddf3 [0,2,0,0,0,0|2,0,0]=4 16095 B13R0.413 CCSCCCOC[C@](C)(O)C(=O)O 0bf7d9354d0720154f53e56162ede839 [0,2,0,0,0,0|2,0,0]=4 16096 B13R0.413 CCSCCNCCC(C)(C)C(=O)O 4c360f11e638aa599b3af14dbf55e70f [0,2,0,0,0,0|2,0,0]=4 16097 B13R0.413 COCCCCCNC(C)(C)C(=O)O b62968ad75d62318690180b76f8251e8 [0,2,0,0,0,0|2,0,0]=4 16098 B13R0.413 COCCCCNCC(C)(C)C(=O)O 63820270356eec01f8916a4b9e38deef [0,2,0,0,0,0|2,0,0]=4 16099 B13R0.413 COCCCCNCC(C)(O)C(=O)O 30b6373e9ccdb93556b23a5005b5da00 [0,2,0,0,0,0|2,0,0]=4 16100 B13R0.413 COCCCCNCC(F)(F)C(=O)O bb72e7f77a900fa6028a3cf6aa710dec [0,2,0,0,0,0|2,0,0]=4 16101 B13R0.413 COCCCCNC[C@@](C)(O)C(=O)O 6ae30504e763f914a06d25e567d12d1f [0,2,0,0,0,0|2,0,0]=4 16102 B13R0.413 COCCCCNC[C@](C)(O)C(=O)O f652ad567c868e077b9648ab9d559c1f [0,2,0,0,0,0|2,0,0]=4 16103 B13R0.413 COCCCCOCC(C)(C)C(=O)O e0906b7df9fcc62bf1d24f687228a8ff [0,2,0,0,0,0|2,0,0]=4 16104 B13R0.413 COCCCCOCC(C)(O)C(=O)O 866649a83f77d21cc8229b9b1489f1b9 [0,2,0,0,0,0|2,0,0]=4 16105 B13R0.413 COCCCCOC[C@@](C)(O)C(=O)O 4aa40b0ab7bd8f2f1588c6d2cb205aae [0,2,0,0,0,0|2,0,0]=4 16106 B13R0.413 COCCCCOC[C@](C)(O)C(=O)O a83cf667a3a911393ae8e70f6ff4668a [0,2,0,0,0,0|2,0,0]=4 16107 B13R0.413 COCCCNCCC(C)(C)C(=O)O 281cf5baf7d34cd57df0515cd57cb1c0 [0,2,0,0,0,0|2,0,0]=4 16108 B13R0.413 CSCCCCNCC(C)(C)C(=O)O 71362585f8a2a6ff4d77065cde45db06 [0,2,0,0,0,0|2,0,0]=4 16109 B13R0.413 CSCCCCNCC(C)(O)C(=O)O 19b1bb960d545228440f550d36022956 [0,2,0,0,0,0|2,0,0]=4 16110 B13R0.413 CSCCCCNC[C@@](C)(O)C(=O)O 181a9b95a7168b46f21ad0df272cfe86 [0,2,0,0,0,0|2,0,0]=4 16111 B13R0.413 CSCCCCNC[C@](C)(O)C(=O)O eb94f3c6fd9e8defc460baf5b367b801 [0,2,0,0,0,0|2,0,0]=4 16112 B13R0.413 CSCCCCOCC(C)(C)C(=O)O 87082bf5ec7a9d1fdb6421b07485d1df [0,2,0,0,0,0|2,0,0]=4 16113 B13R0.413 CSCCCCOCC(C)(O)C(=O)O 00ef64cbc334212c9e802ff0998538a8 [0,2,0,0,0,0|2,0,0]=4 16114 B13R0.413 CSCCCCOC[C@@](C)(O)C(=O)O d08413d3fecf1cc92c9654665a86a309 [0,2,0,0,0,0|2,0,0]=4 16115 B13R0.413 CSCCCCOC[C@](C)(O)C(=O)O 744208da9922b8c4a4b1b2ac2a88997b [0,2,0,0,0,0|2,0,0]=4 16116 B13R0.413 CSCCCNCCC(C)(C)C(=O)O 070d932631a06cf08d95a4dd73bef80d [0,2,0,0,0,0|2,0,0]=4 16117 B13R0.413 C[C@@](O)(CNCCCCCCl)C(=O)O 8cd10c1f6a044d4efd8822bfcc42f1cf [0,2,0,0,0,0|2,0,0]=4 16118 B13R0.413 C[C@@](O)(CNCCCCCO)C(=O)O 287f27ff3198889a44af3f1a55161046 [0,2,0,0,0,0|2,0,0]=4 16119 B13R0.413 C[C@](O)(CNCCCCCCl)C(=O)O 687fb1259fd95d5224f332e4eb2457d1 [0,2,0,0,0,0|2,0,0]=4 16120 B13R0.413 C[C@](O)(CNCCCCCO)C(=O)O 5fa7176cf5d2f1059c8f85039559fff0 [0,2,0,0,0,0|2,0,0]=4 16121 B13R0.413 O=C(O)C(F)(F)CNCCCCCF 1c34691095ff6dc46409ce992dcdaf53 [0,2,0,0,0,0|2,0,0]=4 16122 B13R0.413 O=C(O)C(F)(F)CNCCCCCO 856202d558988544ee08cc9f41f85211 [0,2,0,0,0,0|2,0,0]=4 16123 B13R0.95 CC(CCC(=O)O)OC[C@@H](O)CCO 1920682f75694e6a38831a84aa53b36b [0,2,0,0,0,0|2,0,0]=4 16124 B13R0.95 CCCC(=O)COC(C)CCC(=O)O e766633bc713f1449061dd47d1453377 [0,2,0,0,0,0|1,0,1]=4 16125 B13R0.95 CCCC(C)CNC(C)CCC(=O)O c925d58b8283da68a6b6b6055197c7cf [0,2,0,0,0,0|1,0,0]=3 16126 B13R0.95 CCCC(C)CN[C@@H](C)CCC(=O)O 3bafd8feb9b53e0312b4dbcde7170c86 [0,2,0,0,0,0|1,0,0]=3 16127 B13R0.95 CCCC(C)COC(C)CCC(=O)O 85c33cd0d53d2b540bfb3be644c333f4 [0,2,0,0,0,0|1,0,0]=3 16128 B13R0.95 CCCC(C)NCC(=O)CCC(=O)O 3ed57728391cb3fed04d36b265cbf649 [0,2,0,0,0,0|1,0,1]=4 16129 B13R0.95 CCCC(C)OCC(=O)CCC(=O)O 0eb5e019f76453e6e860aba2c6e08758 [0,2,0,0,0,0|1,0,1]=4 16130 B13R0.95 CCCC(O)CNC(C)CCC(=O)O e39f856b11395692b8b4a7bdef124f88 [0,2,0,0,0,0|1,0,0]=3 16131 B13R0.95 CCC[C@@H](C)OCC(=O)CCC(=O)O fb2107081de4d41caaface94384ae90b [0,2,0,0,0,0|1,0,1]=4 16132 B13R0.95 CCC[C@H](C)NCC(=O)CCC(=O)O 2f79127ccb3430a25ace100683ac7b59 [0,2,0,0,0,0|1,0,1]=4 16133 B13R0.95 CCC[C@H](C)OCC(=O)CCC(=O)O 2b5226cd002d9a986d635070fe7f696b [0,2,0,0,0,0|1,0,1]=4 16134 B13R0.95 CCOC(C)CNC(C)CCC(=O)O 4737e5118328dfb23617c348dc6548d5 [0,2,0,0,0,0|2,0,0]=4 16135 B13R0.95 CCOC(C)COC(C)CCC(=O)O 2304860cd5b9d05aade871ba05a64404 [0,2,0,0,0,0|2,0,0]=4 16136 B13R0.95 COCC(O)CNC(C)CCC(=O)O e84473737f75d4947289ddbacea7deb5 [0,2,0,0,0,0|2,0,0]=4 16137 B13R0.95 COCC(O)CN[C@@H](C)CCC(=O)O 0048bc8234ef0abed625502cbfa2b684 [0,2,0,0,0,0|2,0,0]=4 16138 B13R0.95 COC[C@@H](O)CNC(C)CCC(=O)O 31e965bb817150636e6bf5a41055a253 [0,2,0,0,0,0|2,0,0]=4 16139 B13R0.285 C=CC(CCC(=O)O)NCCCCC c0324ab289445347d6776a56c172b11c [0,2,0,0,0,0|1,0,0]=3 16140 B13R0.285 C=CC(CCC(=O)O)NCCCCF 06439fddcf49e78d6ec86f9cc4d71255 [0,2,0,0,0,0|2,0,0]=4 16141 B13R0.285 C=CC(CCC(=O)O)NCCCCO 1c5aa9daccbc56187aebdcdfb0e836ae [0,2,0,0,0,0|2,0,0]=4 16142 B13R0.285 C=CC(CCC(=O)O)NCCCOC 76c40d6a047e5bc06167ba215adb27e4 [0,2,0,0,0,0|2,0,0]=4 16143 B13R0.285 C=CC(CCC(=O)O)NCCCSC 1875ac92565288cc534bd5689ab53ccc [0,2,0,0,0,0|2,0,0]=4 16144 B13R0.285 C=CC(CCC(=O)O)NCCOCC d0b53af6e7824e55db91cee1113f5ddc [0,2,0,0,0,0|2,0,0]=4 16145 B13R0.285 C=CC(CCC(=O)O)NCCSCC 3ac649408972ef984a25b73ccf612050 [0,2,0,0,0,0|2,0,0]=4 16146 B13R0.285 C=CC(CCCCCC)OCC(=O)N 8f164b365fd22887b6aba7fd52644ab3 [0,2,0,0,0,0|2,0,0]=4 16147 B13R0.285 C=CC(CCCCCC)OCC(=O)O 6fedd0622a36ec7b4d538dfaf19b087b [0,2,0,0,0,0|1,0,0]=3 16148 B13R0.285 C=C[C@H](CCC(=O)O)NCCCCC 29e6bb3ba0c197726d7be4b3ad16a23e [0,2,0,0,0,0|1,0,0]=3 16149 B13R0.285 C=C[C@H](CCC(=O)O)NCCCCF cb84ddcc7cd06a4e6acc41886f7003de [0,2,0,0,0,0|2,0,0]=4 16150 B13R0.285 C=C[C@H](CCC(=O)O)NCCCCO bd560268dad25cc7d01b353ccb9beb28 [0,2,0,0,0,0|2,0,0]=4 16151 B13R0.285 C=C[C@H](CCC(=O)O)NCCCOC 10aaa2a4ee38934eb7b8c54f6023ac4c [0,2,0,0,0,0|2,0,0]=4 16152 B13R0.285 C=C[C@H](CCC(=O)O)NCCCSC 480c0885923a0b4bd8963fee71838503 [0,2,0,0,0,0|2,0,0]=4 16153 B13R0.285 C=C[C@H](CCC(=O)O)NCCOCC e9aa02c7f856fd1246aa2d8e985d7333 [0,2,0,0,0,0|2,0,0]=4 16154 B13R0.285 C=C[C@H](CCC(=O)O)NCCSCC f5981a91c5dc987da77b4e5c3e04793b [0,2,0,0,0,0|2,0,0]=4 16155 B13R0.285 CCCCCCC(CC)OCC(=O)N cdb5489bfb8c467907e4004ebf870721 [0,2,0,0,0,0|2,0,0]=4 16156 B13R0.285 CCCCCCC(CC)OCC(=O)O 507998d931e9a2cf5d8c959f11e5e01f [0,2,0,0,0,0|1,0,0]=3 16157 B13R0.285 CCCCCCN(CC)CCC(=O)N d473081b7ed320d0426a523e853139db [0,2,0,0,0,0|2,0,0]=4 16158 B13R0.1167 CC(C)(CCC(=O)O)NCCCCF 9276ba4e238a340749d1e2e443650a45 [0,2,0,0,0,0|2,0,0]=4 16159 B13R0.1167 CC(C)(CCC(=O)O)NCCCCO 51ed5a64ccea674ebed008efbf9f17fc [0,2,0,0,0,0|2,0,0]=4 16160 B13R0.1167 CCCCCNC(C)(C)CCC(=O)O 7ea215807fb29b982a6241c9afe4c105 [0,2,0,0,0,0|1,0,0]=3 16161 B13R0.1167 CCOCCNC(C)(C)CCC(=O)O 16fb561d01094c6b31c019cbd6ac8d07 [0,2,0,0,0,0|2,0,0]=4 16162 B13R0.1167 CCSCCNC(C)(C)CCC(=O)O 9bf070caf4b8895c89a3fa1796e1a398 [0,2,0,0,0,0|2,0,0]=4 16163 B13R0.1167 COCCCNC(C)(C)CCC(=O)O 121f45d2c54e6a71add625642350956a [0,2,0,0,0,0|2,0,0]=4 16164 B13R0.1167 CSCCCNC(C)(C)CCC(=O)O 912f76e759b7b192acd5c1320f958972 [0,2,0,0,0,0|2,0,0]=4 16165 B13R0.231 CC(C)(CCO)NCCCCC(=O)O cbb96ca1b7211cec68269c6fc225b841 [0,2,0,0,0,0|2,0,0]=4 16166 B13R0.231 CCCC(C)(O)CNCCCC(=O)C c9ca66d6cd4f927e07e30d577bf3d9b5 [0,2,0,0,0,0|2,0,0]=4 16167 B13R0.231 CCCC(C)(O)CNCCCC(=O)N db3be6abab0c8e74d9d51463a0de3700 [0,2,0,0,0,0|2,0,0]=4 16168 B13R0.231 CCCC(C)(O)CNCCCC(=O)O 60262f2c49546e777ccc8d28afe3c9ed [0,2,0,0,0,0|1,0,0]=3 16169 B13R0.231 CCCC(C)(S)CCOCCC(=O)C 8ef7f5ecd5b26260ab777a4cce76409f [0,2,0,0,0,0|2,0,0]=4 16170 B13R0.231 CCCC(C)(S)CCOCCC(=O)N faadba1038c3e13780a22bc27fc79e8d [0,2,0,0,0,0|2,0,0]=4 16171 B13R0.231 CCCC(C)(S)CCOCCC(=O)O e49af7377a3e47987e75f3409f575892 [0,2,0,0,0,0|1,0,0]=3 16172 B13R0.231 CCOC(C)(C)COCCCC(=O)O 9269d75b18c3b6bc63bcc9d66e091c92 [0,2,0,0,0,0|2,0,0]=4 16173 B13R0.231 COCC(C)(C)CCOCCC(=O)O 5cf7c53bd967ef0fe6888eeae5643f8c [0,2,0,0,0,0|2,0,0]=4 16174 B13R0.231 COCC(C)(C)COCCCC(=O)O 4827dd2a548fd9c4930f6b77b93ff12a [0,2,0,0,0,0|2,0,0]=4 16175 B13R0.231 CSCC(C)(C)NCCCCC(=O)O 23578e1991a3c39164c7130dab3d9f6d [0,2,0,0,0,0|2,0,0]=4 16176 B13R0.313 C#CC(CCC)OCCCCC(=O)C 188a3d1ef7589bb3f38735428e9942b7 [0,2,0,0,0,0|2,0,0]=4 16177 B13R0.313 C#CC(CCC)OCCCCC(=O)N 4b99d2bc7a295888b48c225ba933a797 [0,2,0,0,0,0|2,0,0]=4 16178 B13R0.313 C#CC(CCC)OCCCCC(=O)O bc61fd3d97d6e45c53312e6eef333bac [0,2,0,0,0,0|1,0,0]=3 16179 B13R0.313 C#CC(CCC)OCCOCC(=O)O 5c3474c00c808634c5a23d82dd12519a [0,2,0,0,0,0|2,0,0]=4 16180 B13R0.313 C=CC(CCC)OCCCCC(=O)C e314130551365cb66b930b6aca03f2fc [0,2,0,0,0,0|2,0,0]=4 16181 B13R0.313 C=CC(CCC)OCCCCC(=O)N 0446726d63345cb991d47eb7d3c07606 [0,2,0,0,0,0|2,0,0]=4 16182 B13R0.313 C=CC(CCC)OCCCCC(=O)O 4acd76cee5a265e1f0f7b1881c6d2f35 [0,2,0,0,0,0|1,0,0]=3 16183 B13R0.313 C=CC(CCC)OCCOCC(=O)O f6af6e0dfa60de4009630b2290d451fc [0,2,0,0,0,0|2,0,0]=4 16184 B13R0.313 CCCC(C#N)OCCCCC(=O)C 5828be1b0dc787d583a529a37f124f18 [0,2,0,0,0,0|2,0,0]=4 16185 B13R0.313 CCCC(C#N)OCCCCC(=O)N 531fafbf715539ca518d3b5a473ef6fd [0,2,0,0,0,0|2,0,0]=4 16186 B13R0.313 CCCC(C#N)OCCCCC(=O)O 0d8c23e71b338a500edd92ea1bbb2b13 [0,2,0,0,0,0|1,0,0]=3 16187 B13R0.313 CCCC(C#N)OCCOCC(=O)O c6b2a2be8118c27941a06b9cda711ba8 [0,2,0,0,0,0|2,0,0]=4 16188 B13R0.313 CCCC(CC)COCCCC(=O)C 28628d533a1f9350ac3147cf3cb54b4c [0,2,0,0,0,0|2,0,0]=4 16189 B13R0.313 CCCC(CC)COCCCC(=O)N a6b8bcf5a7c14d66419e5b810ac42d92 [0,2,0,0,0,0|2,0,0]=4 16190 B13R0.313 CCCC(CC)NCCCCC(=O)N 86a79594639c1ae27cf50c603644f0c0 [0,2,0,0,0,0|2,0,0]=4 16191 B13R0.313 CCCC(CC)NCCCCC(=O)O cc0ca98fd9277335418edace903aed8e [0,2,0,0,0,0|1,0,0]=3 16192 B13R0.313 CCCC(CC)NCCOCC(=O)O b1baa2b381fdf949a0bc43ff5f537041 [0,2,0,0,0,0|2,0,0]=4 16193 B13R0.313 CCCC(CC)NCCSCC(=O)O 443ee079e0afb7df38adbbdacb7e77a9 [0,2,0,0,0,0|2,0,0]=4 16194 B13R0.313 CCCC(CC)OCCCCC(=O)C 8aff6bca66fc2f3dc78d1c287c31a488 [0,2,0,0,0,0|2,0,0]=4 16195 B13R0.313 CCCC(CC)OCCCCC(=O)N b40e17aef227a3d65972ebcc018ab124 [0,2,0,0,0,0|2,0,0]=4 16196 B13R0.313 CCCC(CC)OCCOCC(=O)O eaba7d4d08adb38dac67d6b1b13e311a [0,2,0,0,0,0|2,0,0]=4 16197 B13R0.313 CCCC(CCOCCC(=O)C)SC 610f3ceb30c771448e4ca5ef93ae18d3 [0,2,0,0,0,0|2,0,0]=4 16198 B13R0.313 CCCC(CCOCCC(=O)N)SC 417a57925f59bc2e45da38bd6dd75014 [0,2,0,0,0,0|2,0,0]=4 16199 B13R0.313 CCCC(CCOCCC(=O)O)SC 6a3d759682abdef475d89479f2efc433 [0,2,0,0,0,0|1,0,0]=3 16200 B13R0.313 CCCC(CO)NCCCCC(=O)C b3895ae019abe26a449bcb6aa57af89b [0,2,0,0,0,0|2,0,0]=4 16201 B13R0.313 CCCC(CO)NCCCCC(=O)N eadf04d6abdaa3548a60e02e7468f748 [0,2,0,0,0,0|2,0,0]=4 16202 B13R0.313 CCCC(CO)NCCCCC(=O)O dcd4eb585f5b232a56bd5388120c4228 [0,2,0,0,0,0|1,0,0]=3 16203 B13R0.313 CCCC(CO)NCCOCC(=O)O 5eb5dcd7c370199389d32737d5a06d8f [0,2,0,0,0,0|2,0,0]=4 16204 B13R0.313 CCCN(CC)CCCCCC(=O)C f035e3c3ed5a3ec41addbe36b7791b83 [0,2,0,0,0,0|2,0,0]=4 16205 B13R0.313 CCCN(CC)CCCCCC(=O)N cf231b2219dece769878e6a789ead7be [0,2,0,0,0,0|2,0,0]=4 16206 B13R0.313 CCCN(CC)CCCOCC(=O)O 33040de7bf9955fb8c2ef02cba945917 [0,2,0,0,0,0|2,0,0]=4 16207 B13R0.313 CCC[C@@H](CC)OCCCCC(=O)C 6772477c8746210deae0c667d56103b5 [0,2,0,0,0,0|2,0,0]=4 16208 B13R0.313 CCC[C@@H](CC)OCCCCC(=O)N 7725813d4eb0bd57025be0628c2bef43 [0,2,0,0,0,0|2,0,0]=4 16209 B13R0.313 CCC[C@@H](CC)OCCOCC(=O)O 0ee031457087655616099a8942714cc1 [0,2,0,0,0,0|2,0,0]=4 16210 B13R0.313 CCC[C@@H](CO)NCCCCC(=O)C f6073386e05b0a505fac7f8ef216dc6d [0,2,0,0,0,0|2,0,0]=4 16211 B13R0.313 CCC[C@@H](CO)NCCCCC(=O)N 8648b7820fe51e8c7ec183027d01ae48 [0,2,0,0,0,0|2,0,0]=4 16212 B13R0.313 CCC[C@@H](CO)NCCCCC(=O)O 5ecc36c8a5519d37a0db6289dc0afefb [0,2,0,0,0,0|1,0,0]=3 16213 B13R0.313 CCC[C@@H](CO)NCCOCC(=O)O b659ea4483e64664c9d5f98147dac469 [0,2,0,0,0,0|2,0,0]=4 16214 B13R0.313 CCC[C@H](CO)NCCCCC(=O)C 89e796f8adc44ee4f6d7da1a8219bcf1 [0,2,0,0,0,0|2,0,0]=4 16215 B13R0.313 CCC[C@H](CO)NCCCCC(=O)N eceb868f3305d4baddbd67d335026de2 [0,2,0,0,0,0|2,0,0]=4 16216 B13R0.313 CCC[C@H](CO)NCCCCC(=O)O 131397077d7a6f24e88dbb217410c747 [0,2,0,0,0,0|1,0,0]=3 16217 B13R0.313 CCC[C@H](CO)NCCOCC(=O)O 5d7c33aa0408eb9e04be801c88886ad6 [0,2,0,0,0,0|2,0,0]=4 16218 B13R0.313 COCC(CO)NCCCCC(=O)O 5441fd68d7209197fedc56a9f8febd5d [0,2,0,0,0,0|2,0,0]=4 16219 B13R0.313 O=C(O)CCCCNC(CO)CCO 22e14ac52924a35b6ea71d1d1f9d1275 [0,2,0,0,0,0|2,0,0]=4 16220 B13R0.313 O=C(O)CCCCN[C@@H](CO)CCO adb13c3606c63d0e0d0c9483de8d78e3 [0,2,0,0,0,0|2,0,0]=4 16221 B13R0.313 O=C(O)CCCCOC(CCl)CCCl 381505835a637ddfa7033171c7eb1977 [0,2,0,0,0,0|2,0,0]=4 16222 B13R0.313 O=C(O)CCCCO[C@@H](CO)CCO 3cb5475e2e6ea100aa453857b19cd638 [0,2,0,0,0,0|2,0,0]=4 16223 B11R1.24 CCCCN1CCCC(=O)C1 ab5d5aa4c692d5c921210400e463a35c [1,0,0,1,0,0|2,0,0]=4 16224 B11R1.24 CCCNC1CCCC(=O)C1 f78a901451b50e451bf018305d12a0cc [1,0,0,1,0,0|2,0,0]=4 16225 B11R1.24 CCCOC1CCCC(=O)C1 3a62b9596446c853f594c7714567c6fa [1,0,0,1,0,0|2,0,0]=4 16226 B11R1.24 CCNCC1CCCC(=O)N1 245951673b534df0bf27d890092fcdeb [1,0,0,1,0,0|2,0,0]=4 16227 B11R1.24 CCOCC1CCCC(=O)C1 59f3485ad485a6e1d97c966f04f592f9 [1,0,0,1,0,0|2,0,0]=4 16228 B11R1.24 CCOCC1CCCC(=O)N1 ae7b22866fb52b162e0bd2153c57f3fa [1,0,0,1,0,0|2,0,0]=4 16229 B11R1.24 CCOC[C@@H]1CCCC(=O)N1 e702e00726367338ffd611c3a76033db [1,0,0,1,0,0|2,0,0]=4 16230 B11R1.24 CCOC[C@H]1CCCC(=O)N1 aad994c462d12f350a0479fdd23025c1 [1,0,0,1,0,0|2,0,0]=4 16231 B11R1.27 CCCCOC1CCC(=O)C1 727929739aee4fa06897e895ceb533a0 [1,0,0,1,0,0|2,0,0]=4 16232 B11R1.27 CCCNCC1CCC(=O)N1 30a24274dc2a4201a760959ff889a8ac [1,0,0,1,0,0|2,0,0]=4 16233 B11R1.27 CCCNCC1CCC(=O)O1 192e1b88d26e187571243f52c87c3f25 [1,0,0,1,0,0|1,0,0]=3 16234 B11R1.27 CCCNC[C@@H]1CCC(=O)N1 f9262cdecc5e6e0e979d984d77f464f2 [1,0,0,1,0,0|2,0,0]=4 16235 B11R1.27 CCCNC[C@H]1CCC(=O)N1 edad095491b7add8ca64d929567a3f7e [1,0,0,1,0,0|2,0,0]=4 16236 B11R1.27 CCCOCC1CCC(=O)C1 e706b3e203ec0c6715752bcdbd3f5694 [1,0,0,1,0,0|2,0,0]=4 16237 B11R1.27 CCCOCC1CCC(=O)N1 69196ae092eace860730e3fef24858e6 [1,0,0,1,0,0|2,0,0]=4 16238 B11R1.27 CCCOCC1CCC(=O)O1 e9e82695e85d6e35f1d9b435b1472756 [1,0,0,1,0,0|1,0,0]=3 16239 B11R1.27 CCCOC[C@@H]1CCC(=O)C1 f9bb9dadbddc29fa2aa419e4699cef28 [1,0,0,1,0,0|2,0,0]=4 16240 B11R1.27 CCCOC[C@@H]1CCC(=O)N1 06b21930b9e936208c8c09c97d53118a [1,0,0,1,0,0|2,0,0]=4 16241 B11R1.27 CCCOC[C@@H]1CCC(=O)O1 451cbd28723ca3d63ce2083daa5f1a8b [1,0,0,1,0,0|1,0,0]=3 16242 B11R1.27 CCCOC[C@H]1CCC(=O)N1 557bdab749391b52f868e5fd71e08cef [1,0,0,1,0,0|2,0,0]=4 16243 B11R1.27 CCCOC[C@H]1CCC(=O)O1 ba98c0589f5943fe8be2745df7bb5cb9 [1,0,0,1,0,0|1,0,0]=3 16244 B11R1.27 CCOCC[C@@H]1CCC(=O)N1 b50b945e43f449c2c8984f3d2635510d [1,0,0,1,0,0|2,0,0]=4 16245 B11R1.27 COCOCC1CCC(=O)O1 0bc26c8413546f06f44394eb0d1b91f4 [1,0,0,1,0,0|2,0,0]=4 16246 B11R1.27 COCOC[C@@H]1CCC(=O)O1 b66adb2b97b44d8d4f07a03cf38d6639 [1,0,0,1,0,0|2,0,0]=4 16247 B11R1.27 COCOC[C@H]1CCC(=O)O1 7cde2a030b457b7cacd9be76c6fcab25 [1,0,0,1,0,0|2,0,0]=4 16248 B11R1.27 O=C1CCC(O1)CNCCBr 82ef3f4c05c4710243d0b911a82bb0c8 [1,0,0,1,0,0|2,0,0]=4 16249 B11R1.27 O=C1CCC(O1)CNCCF 8baa362bf9ce2cffff95686b955a48f5 [1,0,0,1,0,0|2,0,0]=4 16250 B11R1.27 O=C1CCC(O1)CNCCI 49baa9b0b225cbb33d16cffa4453cd53 [1,0,0,1,0,0|2,0,0]=4 16251 B11R1.27 O=C1CCC(O1)CNCCO 4ad376a826e33a8656380aea4cf82844 [1,0,0,1,0,0|2,0,0]=4 16252 B11R1.27 O=C1CCC(O1)CNCCS 3a200e3011103e4ea340eed1245f9bfa [1,0,0,1,0,0|2,0,0]=4 16253 B11R1.27 O=C1CCC(O1)COCCF 8b44256d489d669b66439448a3a08d3d [1,0,0,1,0,0|2,0,0]=4 16254 B11R1.27 O=C1CCC(O1)COCCS 9734e369e040cd029edb505263aadd13 [1,0,0,1,0,0|2,0,0]=4 16255 B11R1.27 O=C1CC[C@@H](O1)COCCF 5a8f953a3f7988df8b786a07995f5d8a [1,0,0,1,0,0|2,0,0]=4 16256 B11R1.27 O=C1CC[C@@H](O1)COCCS 4ce048852a979776f4ad91b5ae881e40 [1,0,0,1,0,0|2,0,0]=4 16257 B11R1.27 O=C1CC[C@H](O1)COCCF a337c2cae5bb20c253e43c29c8e26538 [1,0,0,1,0,0|2,0,0]=4 16258 B11R1.27 O=C1CC[C@H](O1)COCCS 0b9030b2f233b188f2ccd225b3a07b89 [1,0,0,1,0,0|2,0,0]=4 16259 B11R1.53 CCC1CCCCN1C(=O)C 8d91af042ec3ee454d245c12958ebfeb [1,0,0,1,0,0|2,0,0]=4 16260 B11R1.53 CCN1CCCCC1C(=O)C 66e745e3acee9cfa447bccc577764815 [1,0,0,1,0,0|2,0,0]=4 16261 B11R1.53 CCN1CCCCC1C(=O)N 00aa29d87fd7cc18aead98e4fddba9f3 [1,0,0,1,0,0|2,0,0]=4 16262 B11R1.53 CCN1CCCCC1C(=O)O 48e64a80b74ee0d57ef5f2c51793a0e0 [1,0,0,1,0,0|1,0,0]=3 16263 B11R1.53 CCN1CCCC[C@@H]1C(=O)N d88b4e4bdd088665793e230ad88658f8 [1,0,0,1,0,0|2,0,0]=4 16264 B11R1.53 CCN1CCCC[C@@H]1C(=O)O ffabe4d2c3400a07ec9d9a1b02445d18 [1,0,0,1,0,0|1,0,0]=3 16265 B11R1.53 CCN1CCCC[C@H]1C(=O)N 5ef3247fbd176524430d9698606233d1 [1,0,0,1,0,0|2,0,0]=4 16266 B11R1.53 CCN1CCCC[C@H]1C(=O)O bfa902a3d396d93371caf449fec9a938 [1,0,0,1,0,0|1,0,0]=3 16267 B11R1.53 CCN1CCCSC1C(=O)O 714ab7d5f47ac73dbab4bf4e7ca0563f [1,0,0,1,0,0|2,0,0]=4 16268 B11R1.53 CCN1CCOCC1C(=O)O 4e8e486d19bce548ce5dcd44da88bf93 [1,0,0,1,0,0|2,0,0]=4 16269 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 29a626e348d78eb3932bfc1fc9125b04 [1,0,0,1,0,0|2,0,0]=4 16270 B11R1.53 CCN1CCOC[C@H]1C(=O)O fc40095b000bc9c3ac27524d64195911 [1,0,0,1,0,0|2,0,0]=4 16271 B11R1.53 CCN1CCSCC1C(=O)O d27fac1ccb72015ed59835c66ff0e5b1 [1,0,0,1,0,0|2,0,0]=4 16272 B11R1.53 CCN1CCSC[C@@H]1C(=O)O 98b6db6175552733deff2eab6f15041f [1,0,0,1,0,0|2,0,0]=4 16273 B11R1.53 CCN1CCSC[C@H]1C(=O)O 20d7734a9f8d49660c707d7b8bbe747d [1,0,0,1,0,0|2,0,0]=4 16274 B11R1.53 CC[C@@H]1CCCCN1C(=O)C 6739e20465d74f218273c8bb16bd22bb [1,0,0,1,0,0|2,0,0]=4 16275 B11R1.53 CC[C@H]1CCCCN1C(=O)C 3f882d1db31c87fd415fbe582bfecb93 [1,0,0,1,0,0|2,0,0]=4 16276 B11R1.53 O=C(O)C1CCCCN1CF 34780400456104861d4e67d872dd68cc [1,0,0,1,0,0|2,0,0]=4 16277 B11R1.53 O=C(O)C1CCCCN1CO 830196dd603a43de36b162d205ac7bc0 [1,0,0,1,0,0|2,0,0]=4 16278 B11R1.53 O=C(O)[C@@H]1CCCCN1CF b60cc8661b897ad6dadfa25aed592a67 [1,0,0,1,0,0|2,0,0]=4 16279 B11R1.53 O=C(O)[C@@H]1CCCCN1CO 1797d9998a13c93a688e0dced50d88f8 [1,0,0,1,0,0|2,0,0]=4 16280 B11R1.53 O=C(O)[C@H]1CCCCN1CF ed9720e01c313c693f0b3f314ea15507 [1,0,0,1,0,0|2,0,0]=4 16281 B11R1.53 O=C(O)[C@H]1CCCCN1CO ae5de522198bb26e4b7ecb78dfb11746 [1,0,0,1,0,0|2,0,0]=4 16282 B11R1.57 CCC1CCCN1CC(=O)N c185fb22daa4500a714a8bda72f3f491 [1,0,0,1,0,0|2,0,0]=4 16283 B11R1.57 CCC1CCCN1CC(=O)O c31ac8bd4b3eeed7b5beb09db1545ade [1,0,0,1,0,0|1,0,0]=3 16284 B11R1.57 CCN1CCCC1CC(=O)O 8035896eb0b4ccf9532ccab0532ab2dc [1,0,0,1,0,0|1,0,0]=3 16285 B11R1.57 CCN1CCC[C@@H]1CC(=O)O 078da1d03ae15c1dbe297412c6b8c765 [1,0,0,1,0,0|1,0,0]=3 16286 B11R1.57 CCN1CCC[C@H]1CC(=O)O e31ed026b01212112bf4b9b75bdf0a78 [1,0,0,1,0,0|1,0,0]=3 16287 B11R1.57 CC[C@@H]1CCCN1CC(=O)N f3ff600658ba91efc1a54dbee891c810 [1,0,0,1,0,0|2,0,0]=4 16288 B11R1.57 CC[C@@H]1CCCN1CC(=O)O fcbfc0397f95ebb582b031ed6c75b8f9 [1,0,0,1,0,0|1,0,0]=3 16289 B11R1.57 CC[C@@H]1CCC[C@H]1NC(=O)C 3e0e1d15d776c3dcd038aea6de3e4dfb [1,0,0,1,0,0|2,0,0]=4 16290 B11R1.57 COC1CCCN1CC(=O)O b53221ba908aeb459ede6db241de034a [1,0,0,1,0,0|2,0,0]=4 16291 B11R1.57 O=C(O)CC1CCCN1CF 3a287768ef1b7da7171a674ab376bf68 [1,0,0,1,0,0|2,0,0]=4 16292 B11R1.57 O=C(O)CC1CCCN1CO 78657bf49c2c1b688e1cc7669dba9593 [1,0,0,1,0,0|2,0,0]=4 16293 B11R1.57 O=C(O)CN1CCCC1CO 18fd863028aad275999bc40f6d591e61 [1,0,0,1,0,0|2,0,0]=4 16294 B11R1.57 O=C(O)CN1CCC[C@@H]1CF 263fe6a95009679abd398b22b26de003 [1,0,0,1,0,0|2,0,0]=4 16295 B11R1.57 O=C(O)CN1CCC[C@@H]1CO c0e96541a04d6ea32d8c88e1d4d3476d [1,0,0,1,0,0|2,0,0]=4 16296 B11R1.57 O=C(O)CN1CCC[C@H]1CF b4a8362b840c2d285203cd7edfef101f [1,0,0,1,0,0|2,0,0]=4 16297 B11R1.57 O=C(O)CN1CCC[C@H]1CO 09199b79d3f006b679a7584910181061 [1,0,0,1,0,0|2,0,0]=4 16298 B11R1.57 O=C(O)C[C@@H]1CCCN1CF 328c792f31f63a96fa9363b323d175d3 [1,0,0,1,0,0|2,0,0]=4 16299 B11R1.57 O=C(O)C[C@@H]1CCCN1CO 0e5cbe2fc4622eadc3c287c533b5b280 [1,0,0,1,0,0|2,0,0]=4 16300 B11R1.57 O=C(O)C[C@H]1CCCN1CF 616b727bab28ac72371577c1d1597e86 [1,0,0,1,0,0|2,0,0]=4 16301 B11R1.57 O=C(O)C[C@H]1CCCN1CO 73db8aa3e045ecef15245ee6b0a1259b [1,0,0,1,0,0|2,0,0]=4 16302 B11R1.78 CCCCCOC1CC(=O)C1 e9d3a81f5a09313bf9c683828478434a [1,0,0,1,0,0|2,0,0]=4 16303 B11R1.78 CCCCNCC1CC(=O)C1 fc4945dadf89f1811d60ac396a4b9aaf [1,0,0,1,0,0|2,0,0]=4 16304 B11R1.78 CCCCNCC1CC(=O)N1 1ebb7417e5a781a949d800fafb7986b1 [1,0,0,1,0,0|2,0,0]=4 16305 B11R1.78 CCCCNCC1CC(=O)O1 e3a9828b8100c66b7349fbff08f11eda [1,0,0,1,0,0|1,0,0]=3 16306 B11R1.78 CCCCOCC1CC(=O)C1 b745974591b679b41c4f7048ed0e0090 [1,0,0,1,0,0|2,0,0]=4 16307 B11R1.78 CCCCOCC1CC(=O)N1 d097b400fa6b83e91de2192b2f446f6a [1,0,0,1,0,0|2,0,0]=4 16308 B11R1.78 CCCCOCC1CC(=O)O1 975087ca287ad7024709ba55827da77c [1,0,0,1,0,0|1,0,0]=3 16309 B11R1.78 CCCCOC[C@@H]1CC(=O)N1 6e3c0e34251fe6e3cb370e4e431e6b1c [1,0,0,1,0,0|2,0,0]=4 16310 B11R1.78 CCCCOC[C@H]1CC(=O)N1 a09dbc9d222d76053c19cbc68f6e1d6b [1,0,0,1,0,0|2,0,0]=4 16311 B11R1.78 COCCNCC1CC(=O)O1 850a8d41df59d90b8efa604577d5f017 [1,0,0,1,0,0|2,0,0]=4 16312 B11R1.78 COCCOCC1CC(=O)O1 a4d63697c9e3da20b37fda633d700cd7 [1,0,0,1,0,0|2,0,0]=4 16313 B11R1.78 CSCCNCC1CC(=O)O1 ff966cde4c83ee54bd1d42ecd81980c1 [1,0,0,1,0,0|2,0,0]=4 16314 B11R1.78 CSCCOCC1CC(=O)O1 82b35f68789d943fe464233714e67753 [1,0,0,1,0,0|2,0,0]=4 16315 B11R1.78 O=C1CC(O1)CNCCCCl b4d0339b38568b213ddddb64e201bda2 [1,0,0,1,0,0|2,0,0]=4 16316 B11R1.78 O=C1CC(O1)CNCCCO 0bba0dedb8654a85af1233bcfab7f6f9 [1,0,0,1,0,0|2,0,0]=4 16317 B11R1.78 O=C1CC(O1)COCCCF e49dbaca1d219fcc1d39e0d2c9d89b78 [1,0,0,1,0,0|2,0,0]=4 16318 B11R1.78 O=C1CC(O1)COCCCS 9dda27cb8e14d45b1dba7e7fad2d6e18 [1,0,0,1,0,0|2,0,0]=4 16319 B11R1.86 CC(=O)NC1CCCCC1C 670701ef37830c881dfd98f284b6eaef [1,0,0,1,0,0|2,0,0]=4 16320 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1C 2bac565059009b92e61af1d1f0ba1ffd [1,0,0,1,0,0|2,0,0]=4 16321 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1C 479fb6aae9438e2010ab8b66de7f20cf [1,0,0,1,0,0|2,0,0]=4 16322 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1C 18a83c7bce0c6708eeacbe02f36aa7ad [1,0,0,1,0,0|2,0,0]=4 16323 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1C c4b6727756a1c9df9d0de80b9b0690de [1,0,0,1,0,0|2,0,0]=4 16324 B11R1.86 CC1CCCCN1CC(=O)N 95d8db6234d5d946df75a0454d896ca4 [1,0,0,1,0,0|2,0,0]=4 16325 B11R1.86 CC1CCCCN1CC(=O)O ae84160ac6931f8f66d20194a2549691 [1,0,0,1,0,0|1,0,0]=3 16326 B11R1.86 CC1COCCN1CC(=O)O 04398f858992d0a5d48457bf72a5c847 [1,0,0,1,0,0|2,0,0]=4 16327 B11R1.86 C[C@@H]1CCCCN1CC(=O)N 224870232655bdf8beec7ae59fbf7936 [1,0,0,1,0,0|2,0,0]=4 16328 B11R1.86 C[C@@H]1CCCCN1CC(=O)O e977167422de3a18af9f7c21c4b88fdb [1,0,0,1,0,0|1,0,0]=3 16329 B11R1.86 C[C@@H]1COCCN1CC(=O)O f9d4dbd75edeb208df3b04501111d275 [1,0,0,1,0,0|2,0,0]=4 16330 B11R1.86 C[C@H]1CCCCN1CC(=O)N eeecbfc2e69926c3df9a2ea739e8e528 [1,0,0,1,0,0|2,0,0]=4 16331 B11R1.86 C[C@H]1CCCCN1CC(=O)O b00078cb16b191d42880e0e45b0eac26 [1,0,0,1,0,0|1,0,0]=3 16332 B11R1.86 C[C@H]1COCCN1CC(=O)O f65b20d8f871f5dda28ee23351f4bc9f [1,0,0,1,0,0|2,0,0]=4 16333 B11R1.90 CC(=O)CCN1CCCC1C ab55e2f108912d002326fbc457da1c44 [1,0,0,1,0,0|2,0,0]=4 16334 B11R1.90 CC(=O)CCN1CCC[C@@H]1C dc6ff659b42cbdb6029974e19a8a3368 [1,0,0,1,0,0|2,0,0]=4 16335 B11R1.90 CC(=O)CCN1CCC[C@H]1C 7d2b7f9be62fb5dde93f0a91e0251b7e [1,0,0,1,0,0|2,0,0]=4 16336 B11R1.90 CC1CCCC1OCC(=O)N 4fee3f88e46733ad34c4c115601bb5c5 [1,0,0,1,0,0|2,0,0]=4 16337 B11R1.90 CC1CCCC1OCC(=O)O 8b302fdcccb2e5b0cbc05eb78f61b043 [1,0,0,1,0,0|1,0,0]=3 16338 B11R1.90 CC1CCCN1CCC(=O)N f9f01f0c93049664c15074828dda8b03 [1,0,0,1,0,0|2,0,0]=4 16339 B11R1.90 CC1CCCN1CCC(=O)O 5dcf506a51a046fb0501db2e405b0462 [1,0,0,1,0,0|1,0,0]=3 16340 B11R1.90 CC1COCC1OCC(=O)O df066681c986e1d0ed881ddaea060f92 [1,0,0,1,0,0|2,0,0]=4 16341 B11R1.90 C[C@@H]1CCCN1CCC(=O)N ee174c696ba6e526988c2f02cc2c0c2a [1,0,0,1,0,0|2,0,0]=4 16342 B11R1.90 C[C@@H]1CCCN1CCC(=O)O 96dc0a47aa28ac6e47d8d4bf1e71e990 [1,0,0,1,0,0|1,0,0]=3 16343 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)N 1184acc8b4aad430dc992135fd786da5 [1,0,0,1,0,0|2,0,0]=4 16344 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)O 735a45401cd3b3bbab8ed3fa02f5be83 [1,0,0,1,0,0|1,0,0]=3 16345 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)N ca726fed3322bb1ce526546ad44049f4 [1,0,0,1,0,0|2,0,0]=4 16346 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)O 1c7967d6457face00634b93870635bd7 [1,0,0,1,0,0|1,0,0]=3 16347 B11R1.90 C[C@@H]1COC[C@@H]1OCC(=O)O aaaaed8b059f1ced6e228d2f6e718e67 [1,0,0,1,0,0|2,0,0]=4 16348 B11R1.90 C[C@H]1CCCN1CCC(=O)N 282778205b3870c26b4527f56d58959f [1,0,0,1,0,0|2,0,0]=4 16349 B11R1.90 C[C@H]1CCCN1CCC(=O)O 15177369ccddfffa267e0f1ea23ee8e6 [1,0,0,1,0,0|1,0,0]=3 16350 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)N acb029276a46ec825cfebe05c4167b98 [1,0,0,1,0,0|2,0,0]=4 16351 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)O 1011d83d813a08e7d91c46348c016f66 [1,0,0,1,0,0|1,0,0]=3 16352 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)N bd5b8c042241bb80179df5c047c5960c [1,0,0,1,0,0|2,0,0]=4 16353 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)O 41f392f14989d15a78b37a9a4a93f045 [1,0,0,1,0,0|1,0,0]=3 16354 B11R1.90 C[C@H]1COC[C@@H]1OCC(=O)O 3c1c50f9789739472bd1035efc9db00e [1,0,0,1,0,0|2,0,0]=4 16355 B11R1.90 C[C@H]1COC[C@H]1OCC(=O)O fd7d1abc48621d493bf9bddf84293b38 [1,0,0,1,0,0|2,0,0]=4 16356 B11R1.90 O=C(O)CCN1CCCC1O 3c721be2a5f13d4f83ec3fdb254a149f [1,0,0,1,0,0|2,0,0]=4 16357 B11R1.90 O=C(O)CNC1CCCC1O 4ebe649c114bd55216e6381c318bf421 [1,0,0,1,0,0|2,0,0]=4 16358 B11R1.90 O=C(O)CN[C@@H]1CCC[C@@H]1O 4e3c6cfcceaae1d8e09f0b43011ac18b [1,0,0,1,0,0|2,0,0]=4 16359 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 0004ed21fdc2e98760db8a34ad8da636 [1,0,0,1,0,0|2,0,0]=4 16360 B11R1.90 O=C(O)CN[C@H]1CCC[C@@H]1O 83d9e7b37b03d01fa38520665b96bcfa [1,0,0,1,0,0|2,0,0]=4 16361 B11R1.90 O=C(O)CN[C@H]1CCC[C@H]1O 489d3fcb2f42477c58cba9671541d376 [1,0,0,1,0,0|2,0,0]=4 16362 B11R1.90 O=C(O)CO[C@@H]1CCC[C@H]1F b444918d808f918451551dfb25df770b [1,0,0,1,0,0|2,0,0]=4 16363 B11R1.91 CC(=O)CNC1CCCCC1 41f3bbc8aa0b0ee4d56e1bb353997307 [1,0,0,1,0,0|2,0,0]=4 16364 B11R1.91 CC(=O)COC1CCCCC1 763ec2b1245af52120f0b3066af09e15 [1,0,0,1,0,0|2,0,0]=4 16365 B11R1.91 CC(=O)NCC1CCCCC1 13ef8179cc48c409da15977c5ecf76d3 [1,0,0,1,0,0|2,0,0]=4 16366 B11R1.91 NC(=O)CNC1CCCCC1 49e5840c39ba3b16bc013cd4a010e6e2 [1,0,0,1,0,0|2,0,0]=4 16367 B11R1.91 NC(=O)COC1CCCCC1 0342972a414d125c2c7187722ddbb7ed [1,0,0,1,0,0|2,0,0]=4 16368 B11R1.91 O=C(O)CCN1CCCOC1 2c17ea5f32ddb1647043c100ffb608e3 [1,0,0,1,0,0|2,0,0]=4 16369 B11R1.91 O=C(O)CCN1CCCSC1 c769cfe6c5544540390fe81e6cea18cf [1,0,0,1,0,0|2,0,0]=4 16370 B11R1.91 O=C(O)CCN1CCOCC1 72ea8d5d0c05c51cc00423634b0f0699 [1,0,0,1,0,0|2,0,0]=4 16371 B11R1.91 O=C(O)CCN1CCSCC1 6445c5c6f6b70584cd912a2ab36153ad [1,0,0,1,0,0|2,0,0]=4 16372 B11R1.91 O=C(O)CNC1CCCCC1 6170fa39da854f2ae539e4442d25e354 [1,0,0,1,0,0|1,0,0]=3 16373 B11R1.91 O=C(O)CNC1CCCCO1 0601744de8bfaeac3efa0eaae34b0e2a [1,0,0,1,0,0|2,0,0]=4 16374 B11R1.91 O=C(O)CNC1CCCOC1 de8c0d47483c3f100833bbc04551e425 [1,0,0,1,0,0|2,0,0]=4 16375 B11R1.91 O=C(O)CNC1CCOCC1 de1a366c5915b7b602ff6be02564e839 [1,0,0,1,0,0|2,0,0]=4 16376 B11R1.91 O=C(O)CNC1CCSCC1 a1d4dcc34b9d978a9aada4af63ce44d5 [1,0,0,1,0,0|2,0,0]=4 16377 B11R1.91 O=C(O)CN[C@@H]1CCCOC1 a4936671de955a660a8b95906cfcf3fe [1,0,0,1,0,0|2,0,0]=4 16378 B11R1.91 O=C(O)CN[C@H]1CCCOC1 c38b7aafbfb095786d36e5a2e6d14252 [1,0,0,1,0,0|2,0,0]=4 16379 B11R1.91 O=C(O)COC1CCCCC1 c56b55e54d9cc9b734edcd0ed0978f43 [1,0,0,1,0,0|1,0,0]=3 16380 B11R1.91 O=C(O)COC1CCCCO1 927e1af2807bd3dd35f5b1bd3c90f17b [1,0,0,1,0,0|2,0,0]=4 16381 B11R1.91 O=C(O)COC1CCCOC1 f10d417684ae0b4f2fe8858293490ec1 [1,0,0,1,0,0|2,0,0]=4 16382 B11R1.91 O=C(O)COC1CCCSC1 7272dae6ecc3c9c2a4ea28deac73fb75 [1,0,0,1,0,0|2,0,0]=4 16383 B11R1.91 O=C(O)COC1CCOCC1 d35c7985939bbbbf7d929dd6cf8e4d91 [1,0,0,1,0,0|2,0,0]=4 16384 B11R1.91 O=C(O)COC1CCSCC1 b2cb64231e512bfba5c6f77887ea953d [1,0,0,1,0,0|2,0,0]=4 16385 B11R1.91 O=C(O)CO[C@@H]1CCCOC1 0436b7ec633e33f771801ad9b698da19 [1,0,0,1,0,0|2,0,0]=4 16386 B11R1.91 O=C(O)CO[C@H]1CCCOC1 654ae1e30203a17364d5c0aea2fe9d02 [1,0,0,1,0,0|2,0,0]=4 16387 B11R1.91 O=S(O)COC1CCCCC1 ce98fa7fea4abd576b51cca8386c298a [1,0,0,1,0,0|2,0,0]=4 16388 B11R1.102 CC(=O)CCCNC1CC1C 0670fe2bddcd2938a45ee49893d3d27a [1,0,0,1,0,0|2,0,0]=4 16389 B11R1.102 CC(=O)CCOCC1CC1C f9350af0e4e840a06002445ec930aba7 [1,0,0,1,0,0|2,0,0]=4 16390 B11R1.102 CC(=O)CCOC[C@@H]1C[C@@H]1C 77d77b31202dc6950f336ea588c9adf8 [1,0,0,1,0,0|2,0,0]=4 16391 B11R1.102 CC(=O)CCOC[C@@H]1C[C@H]1C 70b2d7758f1bf3bb001c97fc6fa8b800 [1,0,0,1,0,0|2,0,0]=4 16392 B11R1.102 CC(=O)CCOC[C@H]1C[C@@H]1C d9cdfc5465f50206efe8548e9d726b9a [1,0,0,1,0,0|2,0,0]=4 16393 B11R1.102 CC1CC1COCCC(=O)N 3d773e19e986a55104ea7cc08aa0ffb8 [1,0,0,1,0,0|2,0,0]=4 16394 B11R1.102 CC1CC1COCCC(=O)O 773712793f8aef5614fac0ce57ff0614 [1,0,0,1,0,0|1,0,0]=3 16395 B11R1.102 CC1CC1NCCCC(=O)N e14d220fd66afdf5eed2e8968197298f [1,0,0,1,0,0|2,0,0]=4 16396 B11R1.102 CC1CC1NCCCC(=O)O 37df332ae5d4d4f9c451847d09793c25 [1,0,0,1,0,0|1,0,0]=3 16397 B11R1.102 C[C@@H]1C[C@H]1COCCC(=O)N 8d92f33ff218082cebab11c010e1157d [1,0,0,1,0,0|2,0,0]=4 16398 B11R1.102 C[C@@H]1C[C@H]1COCCC(=O)O b04546ed4019019678c03576307d9df4 [1,0,0,1,0,0|1,0,0]=3 16399 B11R1.102 C[C@H]1C[C@@H]1COCCC(=O)N 203d6c1bf3d8df4bc22f7cf65b4d93d4 [1,0,0,1,0,0|2,0,0]=4 16400 B11R1.102 C[C@H]1C[C@@H]1COCCC(=O)O 8d43531bace86502c95a01dd267efeb3 [1,0,0,1,0,0|1,0,0]=3 16401 B11R1.102 C[C@H]1C[C@H]1COCCC(=O)N 96bcfa5558b597c2fae8c26daeb658f9 [1,0,0,1,0,0|2,0,0]=4 16402 B11R1.102 C[C@H]1C[C@H]1COCCC(=O)O 45bb13f4739bfb28c1dc01c4211d6306 [1,0,0,1,0,0|1,0,0]=3 16403 B11R1.102 O=C(O)CCCN[C@@H]1C[C@H]1F ed86a609fdcc7a669998dbad81cac887 [1,0,0,1,0,0|2,0,0]=4 16404 B11R1.102 O=C(O)CCCN[C@H]1C[C@@H]1F dd584ee64dbea50e944425ca726170d1 [1,0,0,1,0,0|2,0,0]=4 16405 B11R1.102 O=C(O)CCCN[C@H]1C[C@H]1F 00a4991f651cdbee366fd2c1ea68a241 [1,0,0,1,0,0|2,0,0]=4 16406 B11R1.102 O=C(O)CCOC[C@@H]1C[C@@H]1F a891c75a20948e3157a539936d15ae73 [1,0,0,1,0,0|2,0,0]=4 16407 B11R1.102 O=C(O)CCOC[C@@H]1C[C@H]1F c9111355f45015e1d0f12022a9368b07 [1,0,0,1,0,0|2,0,0]=4 16408 B11R1.102 O=C(O)CCOC[C@H]1C[C@@H]1F bd9a3a02c1dbf93b83616e83a45d9520 [1,0,0,1,0,0|2,0,0]=4 16409 B11R1.102 O=C(O)CCOC[C@H]1C[C@H]1F c9d53cc0e1838f24c82efffa61ff69a5 [1,0,0,1,0,0|2,0,0]=4 16410 B11R1.113 CCCN1CCC1CC(=O)O eb9847c838c016909ff9e9544b4f5356 [1,0,0,1,0,0|1,0,0]=3 16411 B11R1.113 COCC1CCN1CC(=O)O 17626182c3dc6d51f2d6fceff77f2804 [1,0,0,1,0,0|2,0,0]=4 16412 B11R1.113 COCN1CCC1CC(=O)O 4e01e1a70814c21f6da7561f75a7e025 [1,0,0,1,0,0|2,0,0]=4 16413 B11R1.113 COC[C@@H]1CCN1CC(=O)O 76ae1224268bf7d70f6f32c2a43c26f1 [1,0,0,1,0,0|2,0,0]=4 16414 B11R1.113 COC[C@H]1CCN1CC(=O)O 95a11670e953c147a954a00bcb1a73a1 [1,0,0,1,0,0|2,0,0]=4 16415 B11R1.113 CSCN1CCC1CC(=O)O 414d299412c33e07418261d75564052c [1,0,0,1,0,0|2,0,0]=4 16416 B11R1.113 O=C(O)CC1CCN1CCF 350b881e50ea2024785ef0ed4799be8b [1,0,0,1,0,0|2,0,0]=4 16417 B11R1.113 O=C(O)CC1CCN1CCO b8793d8aa6576585687a7f1b4d889d79 [1,0,0,1,0,0|2,0,0]=4 16418 B11R1.113 O=C(O)CC1CCN1CCS 708e5e4b7cb7ee63e813cf63ba7a1ffe [1,0,0,1,0,0|2,0,0]=4 16419 B11R1.113 O=C(O)CN1CCC1CCO d3131954bccb9b151f58378fff7b4f7f [1,0,0,1,0,0|2,0,0]=4 16420 B11R1.130 COC[C@@H]1C[C@@H]1NCC(=O)O 8a855f44292adb9bb1627cd62faafe14 [1,0,0,1,0,0|2,0,0]=4 16421 B11R1.130 COC[C@H]1C[C@@H]1NCC(=O)O 464c962d51a08e4a2bd3e6501c20c7ad [1,0,0,1,0,0|2,0,0]=4 16422 B11R1.143 CC(=O)N1CCCCCC1C 0b0f11c018b77ceb673643adf08c2408 [1,0,0,1,0,0|2,0,0]=4 16423 B11R1.161 CC(=O)CCN[C@@H]1CC[C@H]1C a6a16483cd313a8fc3617f90b4b7eb46 [1,0,0,1,0,0|2,0,0]=4 16424 B11R1.161 CC(=O)CCN[C@H]1CC[C@H]1C 5d10220899885912bf3dc0c5177eed6e [1,0,0,1,0,0|2,0,0]=4 16425 B11R1.161 CC1OCC1NCCC(=O)O 26d20e63f6ca828a644b2654b68ff858 [1,0,0,1,0,0|2,0,0]=4 16426 B11R1.161 CC1OCC1OCCC(=O)O c7c0e47d7a25839e12ad9a0acf10dda7 [1,0,0,1,0,0|2,0,0]=4 16427 B11R1.161 CN1CCC1CNCC(=O)O 0349409589cbeced919e11f49b37bf7d [1,0,0,1,0,0|2,0,0]=4 16428 B11R1.161 CN1CCC1COCC(=O)O 5ba30ff7a20ca060cedfc8499001f2ec [1,0,0,1,0,0|2,0,0]=4 16429 B11R1.161 CN1CC[C@@H]1COCC(=O)O 555f94dc3d716cce9cf4f667679921f1 [1,0,0,1,0,0|2,0,0]=4 16430 B11R1.161 CN1CC[C@H]1COCC(=O)O b33b3cd4ffb4e626e54d37b0dfdc3a75 [1,0,0,1,0,0|2,0,0]=4 16431 B11R1.161 C[C@@H]1CC[C@@H]1NCCC(=O)N 840746f5b0e7feda76fc3d0b64413bbf [1,0,0,1,0,0|2,0,0]=4 16432 B11R1.161 C[C@@H]1CC[C@@H]1NCCC(=O)O aa0e60c33918eed9747e660c027563f0 [1,0,0,1,0,0|1,0,0]=3 16433 B11R1.161 C[C@@H]1CC[C@H]1NCCC(=O)N 0b146de1493570bc7df2726442ff2ddc [1,0,0,1,0,0|2,0,0]=4 16434 B11R1.161 C[C@@H]1CC[C@H]1NCCC(=O)O 37869c1af20a843bcf28deb296db7bde [1,0,0,1,0,0|1,0,0]=3 16435 B11R1.161 O=C(O)CCNC1CCC1F 5f57069ebfa5ab3c48d9665188949a5e [1,0,0,1,0,0|2,0,0]=4 16436 B11R1.161 O=C(O)CCNC1CCC1O b28a61bfa0f85d798abe2f472ec24946 [1,0,0,1,0,0|2,0,0]=4 16437 B11R1.161 O=C(O)CCN[C@@H]1CC[C@@H]1O cdc3f23228a4de76ef5e41d38975aff2 [1,0,0,1,0,0|2,0,0]=4 16438 B11R1.161 O=C(O)CCN[C@@H]1CC[C@H]1O 2b304f1dee31d2bf40059ef45946ae2c [1,0,0,1,0,0|2,0,0]=4 16439 B11R1.161 O=C(O)CCN[C@H]1CC[C@@H]1O d62324818d2937296e31a4fca88a19a3 [1,0,0,1,0,0|2,0,0]=4 16440 B11R1.161 O=C(O)CCN[C@H]1CC[C@H]1O ce935610e0952e1ff53e868d5791027e [1,0,0,1,0,0|2,0,0]=4 16441 B11R1.161 O=C(O)COCC1CCC1F 3761a1d391388f8fb3ef976d5e887bcd [1,0,0,1,0,0|2,0,0]=4 16442 B11R1.172 CC(=O)CCNC1CCCC1 12a1fa790ce310ff827d382b823d687e [1,0,0,1,0,0|2,0,0]=4 16443 B11R1.172 CC(=O)CCOC1CCCC1 b85de27e387a2e6432a9ebd23d0fde69 [1,0,0,1,0,0|2,0,0]=4 16444 B11R1.172 CC(=O)CNCC1CCCC1 800b82f192e6095478611556b2672a2c [1,0,0,1,0,0|2,0,0]=4 16445 B11R1.172 CC(=O)COCC1CCCC1 87780bcc9709eef0316afed28b298097 [1,0,0,1,0,0|2,0,0]=4 16446 B11R1.172 CC(=O)NCCC1CCCC1 fbc141d594a57736dbd8cf80bf081fad [1,0,0,1,0,0|2,0,0]=4 16447 B11R1.172 NC(=O)CCNC1CCCC1 6ad1f6f23cc54a1f62805f0fd965e181 [1,0,0,1,0,0|2,0,0]=4 16448 B11R1.172 NC(=O)CCOC1CCCC1 ebf5328f3f8c43524eb5068855193bd6 [1,0,0,1,0,0|2,0,0]=4 16449 B11R1.172 NC(=O)CNCC1CCCC1 2074c28fa9e1109e2b8e4500c19104b9 [1,0,0,1,0,0|2,0,0]=4 16450 B11R1.172 NC(=O)COCC1CCCC1 7d8953e71217a6dc6fb5bd1cc2df7a1c [1,0,0,1,0,0|2,0,0]=4 16451 B11R1.172 O=C(O)CCCN1CCSC1 6e6fe64de3c37ef4f49fbe65b0f984b5 [1,0,0,1,0,0|2,0,0]=4 16452 B11R1.172 O=C(O)CCNC1CCCC1 cc87dbfa2423c2d2dc1bbd7e31f32e66 [1,0,0,1,0,0|1,0,0]=3 16453 B11R1.172 O=C(O)CCNC1CCOC1 ebd7df469b3e79070c5e37eba7a6740d [1,0,0,1,0,0|2,0,0]=4 16454 B11R1.172 O=C(O)CCNC1CCSC1 8719865c4bb5b71cede070a9ab2210d4 [1,0,0,1,0,0|2,0,0]=4 16455 B11R1.172 O=C(O)CCN[C@@H]1CCOC1 c7dbfb514fd7d8fbc4bd757f1b9f4456 [1,0,0,1,0,0|2,0,0]=4 16456 B11R1.172 O=C(O)CCN[C@H]1CCOC1 6350aa5fa158a3cb3c5ff02bc92ea171 [1,0,0,1,0,0|2,0,0]=4 16457 B11R1.172 O=C(O)CCOC1CCCC1 a78608f01bf2d90213806fa026bc85f0 [1,0,0,1,0,0|1,0,0]=3 16458 B11R1.172 O=C(O)CCOC1CCCO1 313411f21e8befe79033da76bc3cd22e [1,0,0,1,0,0|2,0,0]=4 16459 B11R1.172 O=C(O)CCOC1CCOC1 94c1ae57cf50d0e89517e22dfa2fe759 [1,0,0,1,0,0|2,0,0]=4 16460 B11R1.172 O=C(O)CCOC1CCSC1 4793719aa7c0e2632093ccae1a2bfd4d [1,0,0,1,0,0|2,0,0]=4 16461 B11R1.172 O=C(O)CCO[C@@H]1CCOC1 536186413b306eb237efd28709042492 [1,0,0,1,0,0|2,0,0]=4 16462 B11R1.172 O=C(O)CCO[C@@H]1CCSC1 ded85805f28723f178a06d46105ee3a1 [1,0,0,1,0,0|2,0,0]=4 16463 B11R1.172 O=C(O)CCO[C@H]1CCOC1 eb27a1ae5e7a4edf25a9dbffb74b8d45 [1,0,0,1,0,0|2,0,0]=4 16464 B11R1.172 O=C(O)CCO[C@H]1CCSC1 e539cc5fbcdba5826ecaea7d3f6af92a [1,0,0,1,0,0|2,0,0]=4 16465 B11R1.172 O=C(O)CNCC1CCCC1 a418b6153ed46a2a6f91546a4f64b56b [1,0,0,1,0,0|1,0,0]=3 16466 B11R1.172 O=C(O)CNCC1CCCO1 ed95df039766cd0b443288b0d49fcc55 [1,0,0,1,0,0|2,0,0]=4 16467 B11R1.172 O=C(O)CNCC1CCOC1 6cbd8805e5855fd0869b3b133fb694f8 [1,0,0,1,0,0|2,0,0]=4 16468 B11R1.172 O=C(O)CNC[C@@H]1CCCO1 ac3327b32b8483564ff7dcddc1162c1c [1,0,0,1,0,0|2,0,0]=4 16469 B11R1.172 O=C(O)CNC[C@@H]1CCOC1 1730730e90fb2d8921db1dbbde54faff [1,0,0,1,0,0|2,0,0]=4 16470 B11R1.172 O=C(O)CNC[C@H]1CCCO1 83b5533196926e02a8eabf9074faf9bb [1,0,0,1,0,0|2,0,0]=4 16471 B11R1.172 O=C(O)CNC[C@H]1CCOC1 0518b052e52f0cb8f88bd0ff6a770c30 [1,0,0,1,0,0|2,0,0]=4 16472 B11R1.172 O=C(O)COCC1CCCC1 1a12f19c6aab26de4be4dc52bf7172ec [1,0,0,1,0,0|1,0,0]=3 16473 B11R1.172 O=C(O)COCC1CCCO1 60f7f5fc7516ca8e919f9c571b279434 [1,0,0,1,0,0|2,0,0]=4 16474 B11R1.172 O=C(O)COCC1CCCS1 d30770f71ca4fd8ba75025e47026df5a [1,0,0,1,0,0|2,0,0]=4 16475 B11R1.172 O=C(O)COCC1CCOC1 f9f502ad07b4fe7318099b02c84b0b1f [1,0,0,1,0,0|2,0,0]=4 16476 B11R1.172 O=C(O)COCN1CCCC1 56f37ea3411363410de6cf53e5955d8f [1,0,0,1,0,0|2,0,0]=4 16477 B11R1.172 O=C(O)COC[C@@H]1CCCO1 363d7d055425870722a7d41976be2cde [1,0,0,1,0,0|2,0,0]=4 16478 B11R1.172 O=C(O)COC[C@@H]1CCOC1 ea64f07338e6ca2e8ab70dbe92e4d30f [1,0,0,1,0,0|2,0,0]=4 16479 B11R1.172 O=C(O)COC[C@H]1CCCO1 c883797efa974dbe4ef25cc3eb893b66 [1,0,0,1,0,0|2,0,0]=4 16480 B11R1.172 O=C(O)COC[C@H]1CCOC1 1b9f5a67b774f6171a273a0ccb0abfcb [1,0,0,1,0,0|2,0,0]=4 16481 B11R1.172 O=S(O)CCNC1CCCC1 c699dddebd45bb788f6fac3354ae374e [1,0,0,1,0,0|2,0,0]=4 16482 B11R1.172 O=S(O)COCC1CCCC1 7b082bfe3f2b00ba56c3e400dbe82d68 [1,0,0,1,0,0|2,0,0]=4 16483 B11R1.174 CC(=O)CCCCN1CCC1 0895d4685eb8ee6298d78fb83192eef7 [1,0,0,1,0,0|2,0,0]=4 16484 B11R1.174 CC(=O)CCCNC1CCC1 9d5e6a34536cb29e0c4e4aab5779ce3f [1,0,0,1,0,0|2,0,0]=4 16485 B11R1.174 CC(=O)CCCOC1CCC1 7ef6b8db9fe814d0e6473ae999d09557 [1,0,0,1,0,0|2,0,0]=4 16486 B11R1.174 CC(=O)CCNCC1CCC1 46c52fee0c2afa627fde78fb48fb79a2 [1,0,0,1,0,0|2,0,0]=4 16487 B11R1.174 CC(=O)CCOCC1CCC1 eb9625984917930ff1284248f8f7a6eb [1,0,0,1,0,0|2,0,0]=4 16488 B11R1.174 CC(=O)CNCCC1CCC1 a6c0b7b56e06a8c8bc7cd1a55bab585e [1,0,0,1,0,0|2,0,0]=4 16489 B11R1.174 CC(=O)COCCC1CCC1 4944e2be1bb1a139c0b12602f14dd179 [1,0,0,1,0,0|2,0,0]=4 16490 B11R1.174 NC(=O)CCCCN1CCC1 d11b4539fe519b855f7e3652a2813838 [1,0,0,1,0,0|2,0,0]=4 16491 B11R1.174 NC(=O)CCCNC1CCC1 7cbb9c6f45d123265278cf664ffb1fe2 [1,0,0,1,0,0|2,0,0]=4 16492 B11R1.174 NC(=O)CCCOC1CCC1 30d40f734523ab1b71d78b1d13a9a716 [1,0,0,1,0,0|2,0,0]=4 16493 B11R1.174 NC(=O)CCNCC1CCC1 09f87c7b9256ab6e11e851b5b9cdee5c [1,0,0,1,0,0|2,0,0]=4 16494 B11R1.174 NC(=O)CCOCC1CCC1 745f7a4866c05893a6b2556a97481c7f [1,0,0,1,0,0|2,0,0]=4 16495 B11R1.174 NC(=O)CNCCC1CCC1 ca676a144539a78812af143cd4d9bf36 [1,0,0,1,0,0|2,0,0]=4 16496 B11R1.174 NC(=O)COCCC1CCC1 f20c75ec54e8aeeeb919375a77d7800d [1,0,0,1,0,0|2,0,0]=4 16497 B11R1.174 O=C(O)CCCNC1CCC1 5ce983248441f00c611d6f8d5f20c1bf [1,0,0,1,0,0|1,0,0]=3 16498 B11R1.174 O=C(O)CCCNC1COC1 64c9e5d1eccdf103bb0f82695262529d [1,0,0,1,0,0|2,0,0]=4 16499 B11R1.174 O=C(O)CCCOC1CCC1 768c3041fc41550e6af0ddd7c673718a [1,0,0,1,0,0|1,0,0]=3 16500 B11R1.174 O=C(O)CCNCC1CCC1 82ce057190ac501fe24bca309fd6e48c [1,0,0,1,0,0|1,0,0]=3 16501 B11R1.174 O=C(O)CCNCC1CCO1 01b9658ec0f96c1db3f9c61d088436e0 [1,0,0,1,0,0|2,0,0]=4 16502 B11R1.174 O=C(O)CCNCC1COC1 db6f65d84336cd12d5a0fefca42c85df [1,0,0,1,0,0|2,0,0]=4 16503 B11R1.174 O=C(O)CCNC[C@@H]1CCO1 2f3a9c3778993c9563995eb428878ce2 [1,0,0,1,0,0|2,0,0]=4 16504 B11R1.174 O=C(O)CCNC[C@H]1CCO1 03ec36e7e9657cdd22f627076644519c [1,0,0,1,0,0|2,0,0]=4 16505 B11R1.174 O=C(O)CCOCC1CCC1 538308fdd78afb9ed4902348844ff826 [1,0,0,1,0,0|1,0,0]=3 16506 B11R1.174 O=C(O)CCOCC1CCO1 033bb595f522940a9a71a47d10ba3f8d [1,0,0,1,0,0|2,0,0]=4 16507 B11R1.174 O=C(O)CCOCC1COC1 7c172a4d19b163624f799d646a36f15f [1,0,0,1,0,0|2,0,0]=4 16508 B11R1.174 O=C(O)CCOCC1CSC1 58c758a3de35712ed1074ab6146a557e [1,0,0,1,0,0|2,0,0]=4 16509 B11R1.174 O=C(O)CCOC[C@@H]1CCO1 c2f0b83c9f00c33123af7de76c9d4aeb [1,0,0,1,0,0|2,0,0]=4 16510 B11R1.174 O=C(O)CCOC[C@H]1CCO1 4f78575a34da887b459d807983e2c6ad [1,0,0,1,0,0|2,0,0]=4 16511 B11R1.174 O=C(O)CNCCC1CCC1 84612f195dec18bf1f89fbacb630f1f5 [1,0,0,1,0,0|1,0,0]=3 16512 B11R1.174 O=C(O)CNCCC1CCO1 10c99e5b0ca9d4d9819ce9bdccb30510 [1,0,0,1,0,0|2,0,0]=4 16513 B11R1.174 O=C(O)CNCCC1COC1 7e856d19038a9d2bf1f734263460b7e3 [1,0,0,1,0,0|2,0,0]=4 16514 B11R1.174 O=C(O)CNCCN1CCC1 afbfa7a4cdb9df7226aa4a1dc71683ad [1,0,0,1,0,0|2,0,0]=4 16515 B11R1.174 O=C(O)CNCC[C@@H]1CCO1 920a32388327409a0234dd6b00d02dd4 [1,0,0,1,0,0|2,0,0]=4 16516 B11R1.174 O=C(O)COCCC1CCC1 21d3e323d3716ddd98978256d1ef52c5 [1,0,0,1,0,0|1,0,0]=3 16517 B11R1.174 O=C(O)COCCC1CCO1 f07fdc42d269db765ffff6302325a1ce [1,0,0,1,0,0|2,0,0]=4 16518 B11R1.174 O=C(O)COCCC1COC1 2b318057465ba43f129bd9805dc42ff4 [1,0,0,1,0,0|2,0,0]=4 16519 B11R1.174 O=C(O)COCCN1CCC1 276d9dae8c00650d90721ca47acfe52e [1,0,0,1,0,0|2,0,0]=4 16520 B11R1.174 O=C(O)COCC[C@@H]1CCO1 8265b1cb1777419d042caeb7ba25ef45 [1,0,0,1,0,0|2,0,0]=4 16521 B11R1.174 O=C(O)COCC[C@H]1CCO1 e309b2fc7d6f135b78ef32154f96eaec [1,0,0,1,0,0|2,0,0]=4 16522 B11R1.174 O=S(O)CCNCC1CCC1 035ed238bc653597d64f1e2cb9077cda [1,0,0,1,0,0|2,0,0]=4 16523 B11R1.174 O=S(O)COCCC1CCC1 920e43becd7002024ae8f853dd790a54 [1,0,0,1,0,0|2,0,0]=4 16524 B11R1.176 CC(=O)CCCCNC1CC1 b58fe0e44be0083fb2839a8e56a0d8f7 [1,0,0,1,0,0|2,0,0]=4 16525 B11R1.176 CC(=O)CCCCOC1CC1 99e6c12be5a36dfbfe96007ce226b069 [1,0,0,1,0,0|2,0,0]=4 16526 B11R1.176 CC(=O)CCCNCC1CC1 43a727b6564ec5256398658d22fc4abb [1,0,0,1,0,0|2,0,0]=4 16527 B11R1.176 CC(=O)CCCOCC1CC1 e5c1da2ade8ff6b054607a722b11b8b1 [1,0,0,1,0,0|2,0,0]=4 16528 B11R1.176 CC(=O)CCNCCC1CC1 80ae1950672890ad568c5e47b7b78c34 [1,0,0,1,0,0|2,0,0]=4 16529 B11R1.176 CC(=O)CCOCCC1CC1 474fb5143caabd1a98a14e5579938754 [1,0,0,1,0,0|2,0,0]=4 16530 B11R1.176 NC(=O)CCCCNC1CC1 995821b282c0928a24744fd129904599 [1,0,0,1,0,0|2,0,0]=4 16531 B11R1.176 NC(=O)CCCCOC1CC1 74fa2797cabfdd6ca5f61d1eb5d1e064 [1,0,0,1,0,0|2,0,0]=4 16532 B11R1.176 NC(=O)CCCNCC1CC1 f1315da3830f8a0cea58b397318afd28 [1,0,0,1,0,0|2,0,0]=4 16533 B11R1.176 NC(=O)CCCOCC1CC1 5ba90454edbb90a95bbeef36d482662c [1,0,0,1,0,0|2,0,0]=4 16534 B11R1.176 NC(=O)CCNCCC1CC1 3f0c20a16c7bee5e4821fe37c08f16f8 [1,0,0,1,0,0|2,0,0]=4 16535 B11R1.176 NC(=O)CCOCCC1CC1 d3ecaeef41085c9559520165bd4a9908 [1,0,0,1,0,0|2,0,0]=4 16536 B11R1.176 NC(=O)COCCCC1CC1 603bdf6c7d367ec52e5fe6b5242de53a [1,0,0,1,0,0|2,0,0]=4 16537 B11R1.176 O=C(O)CCCCNC1CC1 8e77bc3df99a4dc09f67f8ea40340ff9 [1,0,0,1,0,0|1,0,0]=3 16538 B11R1.176 O=C(O)CCCCOC1CC1 8e0cdb33192fffe0accc6ff088fe2214 [1,0,0,1,0,0|1,0,0]=3 16539 B11R1.176 O=C(O)CCCNCC1CC1 a0ceb4980a80bcc8b85c45b81d00b29f [1,0,0,1,0,0|1,0,0]=3 16540 B11R1.176 O=C(O)CCNCCC1CC1 5226fae948a459ec4c75482c0489cd8f [1,0,0,1,0,0|1,0,0]=3 16541 B11R1.176 O=C(O)CCNCCN1CC1 d87773b7177ee9271e2d0a665878a9dc [1,0,0,1,0,0|2,0,0]=4 16542 B11R1.176 O=C(O)CCOCCC1CC1 2cd73a23cd9c696299470b6ca4a30071 [1,0,0,1,0,0|1,0,0]=3 16543 B11R1.176 O=C(O)CCOCCN1CC1 ef3e6bbb759363cf0c2687095930d8e1 [1,0,0,1,0,0|2,0,0]=4 16544 B11R1.176 O=C(O)CNCCOC1CC1 8b455f7378cd4f0389903bf3fcd5db12 [1,0,0,1,0,0|2,0,0]=4 16545 B11R1.176 O=C(O)COCCCC1CC1 811bc90ad70ebad21f64225f344212bf [1,0,0,1,0,0|1,0,0]=3 16546 B11R1.176 O=C(O)COCCNC1CC1 75b89d23beaa4791d69a9b324238800c [1,0,0,1,0,0|2,0,0]=4 16547 B11R1.176 O=C(O)COCCOC1CC1 5b1ec1157d574bc0727b7e672e282d1b [1,0,0,1,0,0|2,0,0]=4 16548 B11R1.176 O=C(O)CSCCNC1CC1 bbf390f978699b81d7df6fce0b85ad8f [1,0,0,1,0,0|2,0,0]=4 16549 B11R1.176 O=S(O)CCNCCC1CC1 0144c05234224f9595b3853a219833b7 [1,0,0,1,0,0|2,0,0]=4 16550 B11R1.193 CCCN1CCCC1C(=O)N aaa74460d602676b8bd29264bd9e93fc [1,0,0,1,0,0|2,0,0]=4 16551 B11R1.193 CCCN1CCCC1C(=O)O 4e7638d6e465e449e2846c4f858986b5 [1,0,0,1,0,0|1,0,0]=3 16552 B11R1.193 CCCN1CCC[C@@H]1C(=O)N e559f668f68faa8c20d450e622203fae [1,0,0,1,0,0|2,0,0]=4 16553 B11R1.193 CCCN1CCC[C@@H]1C(=O)O a65b32b4a51d2d27a5db27b0d392a38d [1,0,0,1,0,0|1,0,0]=3 16554 B11R1.193 CCCN1CCC[C@H]1C(=O)N cf657feec0a26af1e6c950bbff97ced5 [1,0,0,1,0,0|2,0,0]=4 16555 B11R1.193 CCCN1CCC[C@H]1C(=O)O 033cfafcfdfb4af6deb3dd8bda7c1f7a [1,0,0,1,0,0|1,0,0]=3 16556 B11R1.193 CCCN1CCSC1C(=O)O dcccc13ebce68f0da27a0353246611f1 [1,0,0,1,0,0|2,0,0]=4 16557 B11R1.193 CCCN1CSCC1C(=O)O 33526ae8bccf71536cd41e10b08f1bf7 [1,0,0,1,0,0|2,0,0]=4 16558 B11R1.193 CCCN1CSC[C@@H]1C(=O)O 649cf8fae54c1c1088922db51405da49 [1,0,0,1,0,0|2,0,0]=4 16559 B11R1.193 CCCN1CSC[C@H]1C(=O)O 89f722a6ab4caf990426f9742195498f [1,0,0,1,0,0|2,0,0]=4 16560 B11R1.193 CCN[C@@H]1CCC[C@@H]1C(=O)O b2ead36aea0026ad8ed16725daac4c95 [1,0,0,1,0,0|1,0,0]=3 16561 B11R1.193 CCN[C@@H]1COC[C@@H]1C(=O)O 7d81b8e3c741e5dc82a972a47b06950f [1,0,0,1,0,0|2,0,0]=4 16562 B11R1.193 CCN[C@@H]1COC[C@H]1C(=O)O e4064d0f4b6359ba24feea558387a737 [1,0,0,1,0,0|2,0,0]=4 16563 B11R1.193 CCN[C@H]1CCC[C@@H]1C(=O)O a1d8cdb84c1ab2cc4fea18698e55320b [1,0,0,1,0,0|1,0,0]=3 16564 B11R1.193 CCN[C@H]1CCC[C@H]1C(=O)O 440dea2e0cba6f26d509a31d9785c0da [1,0,0,1,0,0|1,0,0]=3 16565 B11R1.193 CCN[C@H]1COC[C@@H]1C(=O)O fedef230878c22aeb195fbbc677439cb [1,0,0,1,0,0|2,0,0]=4 16566 B11R1.193 CCN[C@H]1COC[C@H]1C(=O)O 1ca08115f1b21789ab94fb088edb806b [1,0,0,1,0,0|2,0,0]=4 16567 B11R1.193 CCOC1CCCC1C(=O)N fd4361e5f7d2100add3537fe95f410ed [1,0,0,1,0,0|2,0,0]=4 16568 B11R1.193 CCOC1CCCC1C(=O)O 6ad27e553386c0a619230f65cf1d4ee8 [1,0,0,1,0,0|1,0,0]=3 16569 B11R1.193 CCO[C@@H]1CCC[C@@H]1C(=O)O 51717747c2e0db16e69c0bef3ae1669c [1,0,0,1,0,0|1,0,0]=3 16570 B11R1.193 CCO[C@@H]1CCC[C@H]1C(=O)O 2f9295612b88cddd0cfa1365f5a6dac6 [1,0,0,1,0,0|1,0,0]=3 16571 B11R1.193 CCO[C@H]1CCC[C@H]1C(=O)O 6f30227e4b6c0e5ec303f7332c8a25fc [1,0,0,1,0,0|1,0,0]=3 16572 B11R1.193 COCN1CCCC1C(=O)O d70ccb1f97b1d07fb81e9ccd96855ed1 [1,0,0,1,0,0|2,0,0]=4 16573 B11R1.193 COCN1CCC[C@@H]1C(=O)O 04b355077c321b7ab19f468474bdbc37 [1,0,0,1,0,0|2,0,0]=4 16574 B11R1.193 COCN1CCC[C@H]1C(=O)O 67d34329ad2e305b6818488e23648da5 [1,0,0,1,0,0|2,0,0]=4 16575 B11R1.193 CSCN1CCCC1C(=O)O a48fc74dbc2a3a5e6bf44b3a61d887f4 [1,0,0,1,0,0|2,0,0]=4 16576 B11R1.193 CSCN1CCC[C@@H]1C(=O)O 54d740731b18ede86277f10b9b883a0c [1,0,0,1,0,0|2,0,0]=4 16577 B11R1.193 CSCN1CCC[C@H]1C(=O)O 059540469c7d88b54cc6f17ab6e84a04 [1,0,0,1,0,0|2,0,0]=4 16578 B11R1.193 O=C(O)C1CCCC1OCF 221b6e44990c505f847e6ea476a5b2bf [1,0,0,1,0,0|2,0,0]=4 16579 B11R1.193 O=C(O)C1CCCN1CCF 0037817eaf90c09486502ddef2cef7ee [1,0,0,1,0,0|2,0,0]=4 16580 B11R1.193 O=C(O)C1CCCN1CCO 02323466b00d5b3db258cac6faa71d97 [1,0,0,1,0,0|2,0,0]=4 16581 B11R1.193 O=C(O)C1CCCN1CCS 367736afa66da1e4285904289c65cdac [1,0,0,1,0,0|2,0,0]=4 16582 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 5a8d7359c0e5bfb9c39a5805e38e909b [1,0,0,1,0,0|2,0,0]=4 16583 B11R1.193 O=C(O)[C@@H]1CCCN1CCO ea4e1f8ddd662905bdf353ccdeefaac3 [1,0,0,1,0,0|2,0,0]=4 16584 B11R1.193 O=C(O)[C@@H]1CCCN1CCS b22e0ff73dc1a6ffaa09ad78da27870c [1,0,0,1,0,0|2,0,0]=4 16585 B11R1.193 O=C(O)[C@@H]1CCC[C@@H]1NCF d2dc954a0af594d319fc00f35b9e6d45 [1,0,0,1,0,0|2,0,0]=4 16586 B11R1.193 O=C(O)[C@@H]1CCC[C@@H]1NCO edbeba536296e5ac2461e823518ccede [1,0,0,1,0,0|2,0,0]=4 16587 B11R1.193 O=C(O)[C@@H]1CCC[C@@H]1OCF 4c78155a0d36b8dfd114079cc3fa4a7a [1,0,0,1,0,0|2,0,0]=4 16588 B11R1.193 O=C(O)[C@@H]1CCC[C@H]1OCF 94b884409436cf3f44ca21e265bc6d44 [1,0,0,1,0,0|2,0,0]=4 16589 B11R1.193 O=C(O)[C@H]1CCCN1CCF f146a1d7287e4f1df93392aeed24f9da [1,0,0,1,0,0|2,0,0]=4 16590 B11R1.193 O=C(O)[C@H]1CCCN1CCO 0dfe3149168fd7335620ca286efb877f [1,0,0,1,0,0|2,0,0]=4 16591 B11R1.193 O=C(O)[C@H]1CCCN1CCS 266421005a3f5018c5d7c473810c7fd7 [1,0,0,1,0,0|2,0,0]=4 16592 B11R1.193 O=C(O)[C@H]1CCC[C@@H]1NCF 382c83b7e8097118f94a1bd03ca17ddb [1,0,0,1,0,0|2,0,0]=4 16593 B11R1.193 O=C(O)[C@H]1CCC[C@@H]1NCO 415db64b2a99e568f980f51c8ccd6689 [1,0,0,1,0,0|2,0,0]=4 16594 B11R1.193 O=C(O)[C@H]1CCC[C@H]1NCF 92ebc06c5a33e08f5f7967cb82455328 [1,0,0,1,0,0|2,0,0]=4 16595 B11R1.193 O=C(O)[C@H]1CCC[C@H]1NCO e10a84110579d44386cb06277e13de1b [1,0,0,1,0,0|2,0,0]=4 16596 B11R1.193 O=C(O)[C@H]1CCC[C@H]1OCF 3c79c23f3d7c54b05c716a7d0956740d [1,0,0,1,0,0|2,0,0]=4 16597 B11R1.204 CCCCN1CCC1C(=O)N 877ac2bccbf172ba801d482f60930910 [1,0,0,1,0,0|2,0,0]=4 16598 B11R1.204 CCCCN1CCC1C(=O)O 8298e08b6554f3fe7f1b8d755279c31e [1,0,0,1,0,0|1,0,0]=3 16599 B11R1.204 CCCCN1CC[C@@H]1C(=O)N 698612b63b467f62d6160e592acb5d0d [1,0,0,1,0,0|2,0,0]=4 16600 B11R1.204 CCCCN1CC[C@@H]1C(=O)O 7dd5a4d96c5dcd3d04108d2107d57ba8 [1,0,0,1,0,0|1,0,0]=3 16601 B11R1.204 CCCCN1CC[C@H]1C(=O)N cfb37d0d4e40d97136aac0b0c233ad5e [1,0,0,1,0,0|2,0,0]=4 16602 B11R1.204 CCCCN1CC[C@H]1C(=O)O b7bbf6011c4c86be157fa03063191389 [1,0,0,1,0,0|1,0,0]=3 16603 B11R1.204 CCCN[C@H]1CC[C@H]1C(=O)O e4c0c939806a7fd20a2d3b482bededef [1,0,0,1,0,0|1,0,0]=3 16604 B11R1.204 CCCOC1CCC1C(=O)O 00da8a733746f7d0f18d57eb19dd8dae [1,0,0,1,0,0|1,0,0]=3 16605 B11R1.204 CCCO[C@H]1CC[C@@H]1C(=O)O 465aae9b3e97cc4fb1e524e0e4f66fde [1,0,0,1,0,0|1,0,0]=3 16606 B11R1.204 CCOCN1CCC1C(=O)O 1082aae0c80b04ed01c2e8e11ee2099e [1,0,0,1,0,0|2,0,0]=4 16607 B11R1.204 CCOCN1CC[C@@H]1C(=O)O 1a5808a5bd29b3511a14abf6ee30c58f [1,0,0,1,0,0|2,0,0]=4 16608 B11R1.204 CCOCN1CC[C@H]1C(=O)O 88a54b5a680f30a6259ea166d8497aba [1,0,0,1,0,0|2,0,0]=4 16609 B11R1.204 COCCN1CCC1C(=O)O 56675e5814972a2b0d0da18af4af4462 [1,0,0,1,0,0|2,0,0]=4 16610 B11R1.204 COCCN1CC[C@@H]1C(=O)O 0dbffcbf24fd1586d18424c150ea729f [1,0,0,1,0,0|2,0,0]=4 16611 B11R1.204 COCCN1CC[C@H]1C(=O)O ca0ff058d612df76c282b60ae15ee576 [1,0,0,1,0,0|2,0,0]=4 16612 B11R1.204 COCN[C@H]1CC[C@H]1C(=O)O 24c84c1d9d0b38103c48fb7577512e26 [1,0,0,1,0,0|2,0,0]=4 16613 B11R1.204 COCOC1CCC1C(=O)O 7e43d31a45af1556e5229ea5b7eccf77 [1,0,0,1,0,0|2,0,0]=4 16614 B11R1.204 COCO[C@H]1CC[C@@H]1C(=O)O 4a01439e82e68762e89a4a3a3734ea3e [1,0,0,1,0,0|2,0,0]=4 16615 B11R1.204 CSCCN1CCC1C(=O)O 24a328aab7f0acda4694e92de8fcc9fa [1,0,0,1,0,0|2,0,0]=4 16616 B11R1.204 CSCCN1CC[C@@H]1C(=O)O d49edfb710d3a14b178e6dcde8378cfd [1,0,0,1,0,0|2,0,0]=4 16617 B11R1.204 CSCCN1CC[C@H]1C(=O)O 40bc2c45cc79a5cd402770dbcfca85a4 [1,0,0,1,0,0|2,0,0]=4 16618 B11R1.204 CSCN[C@H]1CC[C@H]1C(=O)O f26a0e641c5312f177e8d592147df5a6 [1,0,0,1,0,0|2,0,0]=4 16619 B11R1.204 CSCOC1CCC1C(=O)O 4a3596f56659070cc249c9b3ffb95538 [1,0,0,1,0,0|2,0,0]=4 16620 B11R1.204 CSCO[C@H]1CC[C@@H]1C(=O)O efda73396f8b5f4ef03e75bec5ec0e69 [1,0,0,1,0,0|2,0,0]=4 16621 B11R1.204 O=C(O)C1CCC1OCCF 6e49fc4f6d909158676d8d0e4af11484 [1,0,0,1,0,0|2,0,0]=4 16622 B11R1.204 O=C(O)C1CCC1OCCS 67b0593f569b8a7f366dc7714de420f3 [1,0,0,1,0,0|2,0,0]=4 16623 B11R1.204 O=C(O)C1CCN1CCCF 4ac2b68dcdb0bc7b8337bcf1271174d7 [1,0,0,1,0,0|2,0,0]=4 16624 B11R1.204 O=C(O)C1CCN1CCCO 8ab43805cb260b789eac396b2be4c346 [1,0,0,1,0,0|2,0,0]=4 16625 B11R1.204 O=C(O)C1CCN1CCCS dc3a33800184bdff4f9a34d8a473ab63 [1,0,0,1,0,0|2,0,0]=4 16626 B11R1.204 O=C(O)[C@@H]1CCN1CCCF 64813008ddf3a84f2a100959df402bfb [1,0,0,1,0,0|2,0,0]=4 16627 B11R1.204 O=C(O)[C@@H]1CCN1CCCO 79f7864e57e0122c81d71b3ae96f24ad [1,0,0,1,0,0|2,0,0]=4 16628 B11R1.204 O=C(O)[C@@H]1CCN1CCCS f91321534c17abdfc2e3e64859713cc0 [1,0,0,1,0,0|2,0,0]=4 16629 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCF 8dd71a99c1f8db750de649e7fa44294b [1,0,0,1,0,0|2,0,0]=4 16630 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCO 368174207c83a8cd03c05cf6ac29c1ce [1,0,0,1,0,0|2,0,0]=4 16631 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCS e0b833a28c1a0f8db0bfd58408f055e1 [1,0,0,1,0,0|2,0,0]=4 16632 B11R1.204 O=C(O)[C@H]1CCN1CCCF 07b70b85d8c145c1e6de616d4dbbead0 [1,0,0,1,0,0|2,0,0]=4 16633 B11R1.204 O=C(O)[C@H]1CCN1CCCO 1850db7d506395b58e97215892097e17 [1,0,0,1,0,0|2,0,0]=4 16634 B11R1.204 O=C(O)[C@H]1CCN1CCCS 9d215c744a1baf1f9f8cebc6889c92c9 [1,0,0,1,0,0|2,0,0]=4 16635 B11R1.204 O=C(O)[C@H]1CC[C@@H]1OCCF 273ca64d1a4c67ba8ca725f93fb9f403 [1,0,0,1,0,0|2,0,0]=4 16636 B11R1.204 O=C(O)[C@H]1CC[C@@H]1OCCS d98a4cf740a6eee3e5adcd6088eb707e [1,0,0,1,0,0|2,0,0]=4 16637 B11R1.241 CO[C@H]1C[C@H]1NCCC(=O)O 1bd95028f9ff006047b18066205f146a [1,0,0,1,0,0|2,0,0]=4 16638 B11R1.241 O=C(O)CCN[C@@H]1C[C@H]1CO c4bd441ad5886f1eead964298715ce2f [1,0,0,1,0,0|2,0,0]=4 16639 B11R1.241 O=C(O)CCN[C@H]1C[C@@H]1CO 79879e320f2d02f0806900351dcfd263 [1,0,0,1,0,0|2,0,0]=4 16640 B11R1.241 O=C(O)CCN[C@H]1C[C@H]1CO 67d45ee9d748aa746a9e9b3a919f0177 [1,0,0,1,0,0|2,0,0]=4 16641 B11R1.241 O=C(O)CNCC1CC1CO 0294a75cdacc51bee28786e480a57820 [1,0,0,1,0,0|2,0,0]=4 16642 B11R1.271 CCC1CCN1CCC(=O)C 2eb3d64a6424be11c57adb2d9d33c690 [1,0,0,1,0,0|2,0,0]=4 16643 B11R1.271 CCC1CCN1CCC(=O)N b52b1099f53950a8574600ae99fde181 [1,0,0,1,0,0|2,0,0]=4 16644 B11R1.271 CCC1CCN1CCC(=O)O e84f612a7a039741c8f99fcd9bab3ae6 [1,0,0,1,0,0|1,0,0]=3 16645 B11R1.271 COC1CCC1NCC(=O)O 4933db14ea229d028f10490c9c7c72ac [1,0,0,1,0,0|2,0,0]=4 16646 B11R1.271 CO[C@@H]1CC[C@@H]1NCC(=O)O 0a353a67a7eed681fcba98cb46f6b1d9 [1,0,0,1,0,0|2,0,0]=4 16647 B11R1.271 CO[C@@H]1CC[C@H]1NCC(=O)O bb6af8ede02f35a5a29edacb5314e245 [1,0,0,1,0,0|2,0,0]=4 16648 B11R1.271 CO[C@H]1CC[C@@H]1NCC(=O)O f5f45b557e940712d10f9916457b51f6 [1,0,0,1,0,0|2,0,0]=4 16649 B11R1.271 CO[C@H]1CC[C@H]1NCC(=O)O f0c0c2eb71b3576250aab37a941b06cc [1,0,0,1,0,0|2,0,0]=4 16650 B11R1.271 O=C(O)CCN1CCC1CO ea2463413f834b147c87b16e9134e348 [1,0,0,1,0,0|2,0,0]=4 16651 B11R1.271 O=C(O)CCN1CC[C@@H]1CO 5c165e96e773bde8857c5442fea80352 [1,0,0,1,0,0|2,0,0]=4 16652 B11R1.271 O=C(O)CCN1CC[C@H]1CO 708578ba803e17bd08257a6a6b3f3b69 [1,0,0,1,0,0|2,0,0]=4 16653 B11R1.706 CC(=O)N1CCCCCCC1 ff71a082476683b4f8504acf30a24baa [1,0,0,1,0,0|2,0,0]=4 16654 B11R1.742 CC(=O)NC1CCCCCC1 980c21986259e09356273dbf1a23f9df [1,0,0,1,0,0|2,0,0]=4 16655 B11R1.742 NC(=O)CN1CCCCCC1 3c6bdaed56195046700c5f9a02a73e34 [1,0,0,1,0,0|2,0,0]=4 16656 B11R1.742 O=C(O)CN1CCCCCC1 d9f9edaddb25360088e69733dfba1666 [1,0,0,1,0,0|1,0,0]=3 16657 B11R1.742 O=C(O)CN1CCCOCC1 621646c1635481e8abe6c4a7848bde48 [1,0,0,1,0,0|2,0,0]=4 16658 B11R1.753 CCCCN[C@@H]1C[C@@H]1C(=O)O db3c084c35ab74f1c14ea8442c64b333 [1,0,0,1,0,0|1,0,0]=3 16659 B11R1.753 CCCCN[C@H]1C[C@@H]1C(=O)O 229a9cd64fffff7130c10356433822e8 [1,0,0,1,0,0|1,0,0]=3 16660 B11R1.753 CCCCN[C@H]1C[C@H]1C(=O)O e24af68b59d7b0b94e24db2eac361e86 [1,0,0,1,0,0|1,0,0]=3 16661 B11R1.753 CCCCO[C@@H]1C[C@@H]1C(=O)O 662037177b8dfc58b8c695dacf12fa4f [1,0,0,1,0,0|1,0,0]=3 16662 B11R1.753 CCCCO[C@H]1C[C@@H]1C(=O)O bdee004caa1db9cfdd5e5cca38f9113c [1,0,0,1,0,0|1,0,0]=3 16663 B11R1.753 CCCCO[C@H]1C[C@H]1C(=O)O 2c0fe3d19e438fbe43fd102329f11d10 [1,0,0,1,0,0|1,0,0]=3 16664 B11R1.753 CCCNCC1CC1C(=O)O d2495a7fe19530b2321a1e958134dcbc [1,0,0,1,0,0|1,0,0]=3 16665 B11R1.753 CCCNC[C@@H]1C[C@H]1C(=O)O 8f0cc9b122b98a3c1d47d4bf21d609f6 [1,0,0,1,0,0|1,0,0]=3 16666 B11R1.753 CCCOCC1CC1C(=O)O 44bbc672bbd400411d06d5b51e247fdc [1,0,0,1,0,0|1,0,0]=3 16667 B11R1.753 CCCOC[C@@H]1C[C@H]1C(=O)O cdedbc42167dbb206eeb61876a11f8a1 [1,0,0,1,0,0|1,0,0]=3 16668 B11R1.753 CCCOC[C@H]1C[C@@H]1C(=O)O 4772a80891634c38abd65d32a4492dc1 [1,0,0,1,0,0|1,0,0]=3 16669 B11R1.753 CCCOC[C@H]1C[C@H]1C(=O)O 8514432f931e742bb262b00483aa1702 [1,0,0,1,0,0|1,0,0]=3 16670 B11R1.753 COCCN[C@@H]1C[C@@H]1C(=O)O 3375097ee748b0a04ef2c05f4dc1c146 [1,0,0,1,0,0|2,0,0]=4 16671 B11R1.753 COCCN[C@H]1C[C@@H]1C(=O)O eb35997e1e34f8043f282b11ebd9a16e [1,0,0,1,0,0|2,0,0]=4 16672 B11R1.753 COCCN[C@H]1C[C@H]1C(=O)O fcabf3c81e35103660f0267baaeeed59 [1,0,0,1,0,0|2,0,0]=4 16673 B11R1.753 COCCO[C@@H]1C[C@@H]1C(=O)O 8e032448725a96730bfb23a1fb0dea59 [1,0,0,1,0,0|2,0,0]=4 16674 B11R1.753 COCCO[C@H]1C[C@@H]1C(=O)O 252cd8e1dc4de528bc597e47169be548 [1,0,0,1,0,0|2,0,0]=4 16675 B11R1.753 COCCO[C@H]1C[C@H]1C(=O)O ebe335c2030b723e435cdc6f006a9c96 [1,0,0,1,0,0|2,0,0]=4 16676 B11R1.753 COCNC[C@@H]1C[C@H]1C(=O)O 71ba7e828e644dc3051e732c8925b85c [1,0,0,1,0,0|2,0,0]=4 16677 B11R1.753 COCOCC1CC1C(=O)O ef536e948927ce9af960c8b40a3e1102 [1,0,0,1,0,0|2,0,0]=4 16678 B11R1.753 COCOC[C@@H]1C[C@H]1C(=O)O 23394443416bd88b94e69c034d102fd9 [1,0,0,1,0,0|2,0,0]=4 16679 B11R1.753 COCOC[C@H]1C[C@@H]1C(=O)O a83b950046f89cbd20213be372cb2e20 [1,0,0,1,0,0|2,0,0]=4 16680 B11R1.753 COCOC[C@H]1C[C@H]1C(=O)O 82f2b22439f20240e1af5e6c16454545 [1,0,0,1,0,0|2,0,0]=4 16681 B11R1.753 CSCCN[C@@H]1C[C@@H]1C(=O)O 83634238939b1cd77741e474493bb706 [1,0,0,1,0,0|2,0,0]=4 16682 B11R1.753 CSCCN[C@H]1C[C@@H]1C(=O)O b16e3d70f28960314006d270fb6360fb [1,0,0,1,0,0|2,0,0]=4 16683 B11R1.753 CSCCN[C@H]1C[C@H]1C(=O)O 4f9187824a7f8acc7e0ef587e8c6101d [1,0,0,1,0,0|2,0,0]=4 16684 B11R1.753 CSCCO[C@@H]1C[C@@H]1C(=O)O 0e89f4cfacacd8ef363e250fafced47a [1,0,0,1,0,0|2,0,0]=4 16685 B11R1.753 CSCCO[C@H]1C[C@@H]1C(=O)O 407cef3d22276f218796e3c7b494635c [1,0,0,1,0,0|2,0,0]=4 16686 B11R1.753 CSCCO[C@H]1C[C@H]1C(=O)O 73efd78aae10fb9ce81b4fedfd140537 [1,0,0,1,0,0|2,0,0]=4 16687 B11R1.753 CSCNC[C@@H]1C[C@H]1C(=O)O d3471c69fd5cc2cd5de211c7c9febdbe [1,0,0,1,0,0|2,0,0]=4 16688 B11R1.753 CSCOCC1CC1C(=O)O e7a970f08a22fb11b92cb4beff9880db [1,0,0,1,0,0|2,0,0]=4 16689 B11R1.753 CSCOC[C@@H]1C[C@H]1C(=O)O 765e25e57b31335aadc2fd942582d69e [1,0,0,1,0,0|2,0,0]=4 16690 B11R1.753 CSCOC[C@H]1C[C@@H]1C(=O)O 1a3482a8406439713d3e564c3edffbec [1,0,0,1,0,0|2,0,0]=4 16691 B11R1.753 CSCOC[C@H]1C[C@H]1C(=O)O 97500ec278d1d8f9ac999f4ec2b1af9e [1,0,0,1,0,0|2,0,0]=4 16692 B11R1.753 O=C(O)C1CC1CNCCBr 613c4a8584ad6bbd1e5231310444fa42 [1,0,0,1,0,0|2,0,0]=4 16693 B11R1.753 O=C(O)C1CC1CNCCF 554cd49e83439a72cd1511a1f8c2ac19 [1,0,0,1,0,0|2,0,0]=4 16694 B11R1.753 O=C(O)C1CC1CNCCI 70be7a545c447595172fbc79067560a7 [1,0,0,1,0,0|2,0,0]=4 16695 B11R1.753 O=C(O)C1CC1CNCCO 525e008d87b39ce55e0d657c7952d880 [1,0,0,1,0,0|2,0,0]=4 16696 B11R1.753 O=C(O)C1CC1CNCCS 16500a356c40049df1932af2fd4048a3 [1,0,0,1,0,0|2,0,0]=4 16697 B11R1.753 O=C(O)C1CC1COCCF d3a41741021e6893d4e0f983e696ff70 [1,0,0,1,0,0|2,0,0]=4 16698 B11R1.753 O=C(O)C1CC1COCCS 0afa142753d0ccd4544f2eb7095c21d2 [1,0,0,1,0,0|2,0,0]=4 16699 B11R1.753 O=C(O)[C@@H]1C[C@@H]1COCCF 929754616224ab97e44cf24c188fe649 [1,0,0,1,0,0|2,0,0]=4 16700 B11R1.753 O=C(O)[C@@H]1C[C@@H]1COCCS 9eb244d4fe36a32c810ad3759446ad86 [1,0,0,1,0,0|2,0,0]=4 16701 B11R1.753 O=C(O)[C@@H]1C[C@@H]1NCCCCl f190241a04090b3106533a044e998f65 [1,0,0,1,0,0|2,0,0]=4 16702 B11R1.753 O=C(O)[C@@H]1C[C@@H]1NCCCO da5afe448b2a198f041e26256e8efaa7 [1,0,0,1,0,0|2,0,0]=4 16703 B11R1.753 O=C(O)[C@@H]1C[C@@H]1OCCCF ec995c9ecef4fae4eddb328c9afb8c0f [1,0,0,1,0,0|2,0,0]=4 16704 B11R1.753 O=C(O)[C@@H]1C[C@@H]1OCCCS 5056ce99893e42628a325a6eee85129f [1,0,0,1,0,0|2,0,0]=4 16705 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCBr c3f98165e0e8a8641f6ebe808543c258 [1,0,0,1,0,0|2,0,0]=4 16706 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCF 649715748e2db98c4cb33905769f272b [1,0,0,1,0,0|2,0,0]=4 16707 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCI 0ea2f810e18075672db67c7caec165fe [1,0,0,1,0,0|2,0,0]=4 16708 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCO 70a2d1b020bb3b7602ad398b6e0d7dd2 [1,0,0,1,0,0|2,0,0]=4 16709 B11R1.753 O=C(O)[C@@H]1C[C@H]1CNCCS 493f836e7f6eff3c24ad8b102910918f [1,0,0,1,0,0|2,0,0]=4 16710 B11R1.753 O=C(O)[C@@H]1C[C@H]1COCCF 760dc26324fc0bf0799d9f3946c64472 [1,0,0,1,0,0|2,0,0]=4 16711 B11R1.753 O=C(O)[C@@H]1C[C@H]1COCCS c206dd22bb7ba70bc99445b9f543394d [1,0,0,1,0,0|2,0,0]=4 16712 B11R1.753 O=C(O)[C@H]1C[C@@H]1COCCF 4082c663467576536de83d092d98beda [1,0,0,1,0,0|2,0,0]=4 16713 B11R1.753 O=C(O)[C@H]1C[C@@H]1COCCS a9cb079712abf0e83a2ede8c9e12d83e [1,0,0,1,0,0|2,0,0]=4 16714 B11R1.753 O=C(O)[C@H]1C[C@@H]1NCCCCl a9d1173c23dc9ff3e0ec23279d398002 [1,0,0,1,0,0|2,0,0]=4 16715 B11R1.753 O=C(O)[C@H]1C[C@@H]1NCCCO 394f72307ed8fb2721529fc2a1ceb3d9 [1,0,0,1,0,0|2,0,0]=4 16716 B11R1.753 O=C(O)[C@H]1C[C@@H]1OCCCF 2c57e9e91e045042d408a014240d7edc [1,0,0,1,0,0|2,0,0]=4 16717 B11R1.753 O=C(O)[C@H]1C[C@@H]1OCCCS 3e236bd5088b4c3e09400cd43c117e3a [1,0,0,1,0,0|2,0,0]=4 16718 B11R1.753 O=C(O)[C@H]1C[C@H]1NCCCCl 44f2df3643321d007f38c53ed4b9899a [1,0,0,1,0,0|2,0,0]=4 16719 B11R1.753 O=C(O)[C@H]1C[C@H]1NCCCO 18c344d89701607359391ddf125ba880 [1,0,0,1,0,0|2,0,0]=4 16720 B11R1.753 O=C(O)[C@H]1C[C@H]1OCCCF f6e181008117a723d60ac9f6957b2670 [1,0,0,1,0,0|2,0,0]=4 16721 B11R1.753 O=C(O)[C@H]1C[C@H]1OCCCS b19b83554c58d8ba8674bb45cdfb5b95 [1,0,0,1,0,0|2,0,0]=4 16722 B11R1.4 C=CCCCNC1CCCC1 9ec58a12306a08d7e7f4c3a2834b5ce6 [1,0,0,1,0,0|2,0,0]=4 16723 B11R1.4 C=CCCCOC1CCCC1 cdababb0c0de65f59a1d89657c1472d7 [1,0,0,1,0,0|2,0,0]=4 16724 B11R1.4 C=CCCNCC1CCCC1 81cc5194550052eafb76dfa2c656b1bd [1,0,0,1,0,0|2,0,0]=4 16725 B11R1.4 C=CCCOCC1CCCC1 93cf614086a4a27dd02e9a4b7eb24746 [1,0,0,1,0,0|2,0,0]=4 16726 B11R1.4 C=CCNCCC1CCCC1 57812b3baec759f267739265fd9d0bac [1,0,0,1,0,0|2,0,0]=4 16727 B11R1.4 C=CCOCCC1CCCC1 a836668cd83547e3932a7200db7c63bc [1,0,0,1,0,0|2,0,0]=4 16728 B11R1.4 CCCCCOC1C=CCC1 78fd44d64a16456a5b7d49fce9337d5f [1,0,0,1,0,0|2,0,0]=4 16729 B11R1.4 CCCCCOC1CCCO1 4fcbb7f6db51b6632373c914ef3e210b [1,0,0,1,0,0|1,0,1]=4 16730 B11R1.4 CCCCNCC1CCCO1 5d381b028ebc3f6431ec0eb23ad96dad [1,0,0,1,0,0|1,0,1]=4 16731 B11R1.4 CCCCNC[C@@H]1CCCO1 40dda0a054e0f6d4dfaa5e4acfc3764d [1,0,0,1,0,0|1,0,1]=4 16732 B11R1.4 CCCCNC[C@H]1CCCO1 853017986931ae50dc82e6512a1e6233 [1,0,0,1,0,0|1,0,1]=4 16733 B11R1.4 CCCCOCC1C=CCC1 c7fe9f926bfc5b0fa72df802a4f5efc0 [1,0,0,1,0,0|2,0,0]=4 16734 B11R1.4 CCCCOCC1CCCO1 0862079b3487ea18c32c1e28ed491ec7 [1,0,0,1,0,0|1,0,1]=4 16735 B11R1.4 CCCCOC[C@@H]1CCCO1 db05d7cd3184532e54140a366489df45 [1,0,0,1,0,0|1,0,1]=4 16736 B11R1.4 CCCCOC[C@H]1CCCO1 e5dcfa56095b26c5f6b49e16a96ea7d8 [1,0,0,1,0,0|1,0,1]=4 16737 B11R1.4 CCCNCCC1CCCO1 16ccc3766cb64abb779cf31870fdd1b1 [1,0,0,1,0,0|1,0,1]=4 16738 B11R1.4 CCCOCCC1CCCO1 0bafcd2daa31466cb920a9ddb84cb9da [1,0,0,1,0,0|1,0,1]=4 16739 B11R1.4 O/C=C\CNCC1CCCC1 a311655b862880d4f0b4fbb1aaf16f43 [1,0,0,1,0,0|1,0,1]=4 16740 B11R1.4 O=CCCCCN1CCSC1 ff0ed0336aaf5296381e082ca2eb58b3 [1,0,0,1,0,0|2,0,0]=4 16741 B11R1.4 O=CCCCNC1CCCC1 146f7d58f1f82ac3be89b4c9e14e4d4e [1,0,0,1,0,0|1,0,0]=3 16742 B11R1.4 O=CCCCNC1CCOC1 8c933b7cdaf8b9c4ce7d05facb7bd4a5 [1,0,0,1,0,0|2,0,0]=4 16743 B11R1.4 O=CCCCNC1CCSC1 c694d826037b48692a8bc4a88414ed02 [1,0,0,1,0,0|2,0,0]=4 16744 B11R1.4 O=CCCCN[C@@H]1CCOC1 9597d8985f035ace864f4d08332c6d9c [1,0,0,1,0,0|2,0,0]=4 16745 B11R1.4 O=CCCCN[C@H]1CCOC1 f8a9473eec027bbec48436c3b53cbf30 [1,0,0,1,0,0|2,0,0]=4 16746 B11R1.4 O=CCCCOC1CCCC1 30de11cb0768465f80ac3530e3897548 [1,0,0,1,0,0|1,0,0]=3 16747 B11R1.4 O=CCCCOC1CCCO1 17af16840cf512d31cc35d5006b5c611 [1,0,0,1,0,0|2,0,0]=4 16748 B11R1.4 O=CCCCOC1CCOC1 cd1faeb7c6a621817c1e1d6ab8a32ece [1,0,0,1,0,0|2,0,0]=4 16749 B11R1.4 O=CCCCOC1CCSC1 e287396b5d4e8e03e800a33572bf0adb [1,0,0,1,0,0|2,0,0]=4 16750 B11R1.4 O=CCCCO[C@@H]1CCOC1 30ab94b1b6aaa0ff86930f1051f031f5 [1,0,0,1,0,0|2,0,0]=4 16751 B11R1.4 O=CCCCO[C@@H]1CCSC1 717b34edfe79c9e1514c64f511995c61 [1,0,0,1,0,0|2,0,0]=4 16752 B11R1.4 O=CCCCO[C@H]1CCOC1 b38a7fcca392e64ecad203384c22a008 [1,0,0,1,0,0|2,0,0]=4 16753 B11R1.4 O=CCCCO[C@H]1CCSC1 07786acc649a9d7112b656ba8f27b801 [1,0,0,1,0,0|2,0,0]=4 16754 B11R1.4 O=CCCNCC1CCCC1 27a51154425dab84dd80fb616c6848dd [1,0,0,1,0,0|1,0,0]=3 16755 B11R1.4 O=CCCNCC1CCCO1 7bf274a8e29c89063c6c6a8506784d28 [1,0,0,1,0,0|2,0,0]=4 16756 B11R1.4 O=CCCNCC1CCOC1 9e851ec22c56e44ce86a0b3e368db825 [1,0,0,1,0,0|2,0,0]=4 16757 B11R1.4 O=CCCNC[C@@H]1CCCO1 b04629b52506af1819b4bcaa31e2a507 [1,0,0,1,0,0|2,0,0]=4 16758 B11R1.4 O=CCCNC[C@@H]1CCOC1 ea48e4db711a7673afe6a518ca2b698d [1,0,0,1,0,0|2,0,0]=4 16759 B11R1.4 O=CCCNC[C@H]1CCCO1 1ae45ef1bd6544fdcde482a772b54e79 [1,0,0,1,0,0|2,0,0]=4 16760 B11R1.4 O=CCCNC[C@H]1CCOC1 9206d5aaeb70b7ec06f5ee14608c09ba [1,0,0,1,0,0|2,0,0]=4 16761 B11R1.4 O=CCCOCC1CCCC1 a13116659b9882d70c06ba7e38fcaff0 [1,0,0,1,0,0|1,0,0]=3 16762 B11R1.4 O=CCCOCC1CCCO1 0112edb00192dbe10474933731c58da7 [1,0,0,1,0,0|2,0,0]=4 16763 B11R1.4 O=CCCOCC1CCCS1 0b5d6ae514468c74a61964ac592bf933 [1,0,0,1,0,0|2,0,0]=4 16764 B11R1.4 O=CCCOCC1CCOC1 c101a13754023d269d90320d77235048 [1,0,0,1,0,0|2,0,0]=4 16765 B11R1.4 O=CCCOCN1CCCC1 a5a88355b6dd1a2d855dcbafe0b51a97 [1,0,0,1,0,0|2,0,0]=4 16766 B11R1.4 O=CCCOC[C@@H]1CCCO1 dd1d276249682978d17d9dd6359625db [1,0,0,1,0,0|2,0,0]=4 16767 B11R1.4 O=CCCOC[C@@H]1CCOC1 67654f2ca0a5b0a1a9ce975ce681a374 [1,0,0,1,0,0|2,0,0]=4 16768 B11R1.4 O=CCCOC[C@H]1CCCO1 322766ff0154e17926b8ba61c199e358 [1,0,0,1,0,0|2,0,0]=4 16769 B11R1.4 O=CCCOC[C@H]1CCOC1 5bf6158ff3e7333813596987285ccb4e [1,0,0,1,0,0|2,0,0]=4 16770 B11R1.4 O=CCNCCC1CCCC1 8f33cd80fa2af27ea5f6978fd32fe1cb [1,0,0,1,0,0|1,0,0]=3 16771 B11R1.4 O=CCNCCC1CCCO1 0177c56402845f8057bc501b22a3ba4e [1,0,0,1,0,0|2,0,0]=4 16772 B11R1.4 O=CCNCCC1CCOC1 bc302d67f17dc948695eef02c952b92b [1,0,0,1,0,0|2,0,0]=4 16773 B11R1.4 O=CCNCCN1CCCC1 dadbb9ff1a949cf40d28a2eae6f67110 [1,0,0,1,0,0|2,0,0]=4 16774 B11R1.4 O=CCOCCC1CCCC1 e235f9f4d26f799b1a4b97b9d73d8490 [1,0,0,1,0,0|1,0,0]=3 16775 B11R1.4 O=CCOCCC1CCCO1 f8ae82f1ba871924cf9f2c8c7beb8e08 [1,0,0,1,0,0|2,0,0]=4 16776 B11R1.4 O=CCOCCC1CCOC1 117abfadcacf6554edd231b36ae77c83 [1,0,0,1,0,0|2,0,0]=4 16777 B11R1.4 O=CCOCCN1CCCC1 2f157cf3ca6a64288ba023a2054f4902 [1,0,0,1,0,0|2,0,0]=4 16778 B11R1.4 O=CNCCCC1CCCC1 2b6dfb05519c7313d1cd64e2c898d8b1 [1,0,0,1,0,0|1,0,0]=3 16779 B11R1.4 O=CNCCCC1CCOC1 37fb30db1c5c58ed3e1b1a67c40020e0 [1,0,0,1,0,0|2,0,0]=4 16780 B11R1.4 O=CNCCCN1CCCC1 fe53e472f62b8b3f85db74f50e3d4628 [1,0,0,1,0,0|2,0,0]=4 16781 B11R1.4 O=CNCCOC1CCCC1 020be10e7424ba595facc19fd92c5595 [1,0,0,1,0,0|2,0,0]=4 16782 B11R1.4 O=CNCCSC1CCCC1 8413a110cc2caba658bd1d832d54e993 [1,0,0,1,0,0|2,0,0]=4 16783 B11R1.4 O=COCCOC1CCCC1 3e95cceb35b7df048226a855d4c63399 [1,0,0,1,0,0|2,0,0]=4 16784 B11R1.4 OCCCCNC1CCCC1 10371cd3a6987b785ad3af8eb276fd84 [1,0,0,1,0,0|1,0,1]=4 16785 B11R1.4 OCCCNCC1CCCC1 997e4a12a5ed94dc182d6e90055559b6 [1,0,0,1,0,0|1,0,1]=4 16786 B11R1.4 OCCNCCC1CCCC1 4c282b62d98e70540ae289d799539185 [1,0,0,1,0,0|1,0,1]=4 16787 B11R1.4 OCNCCCC1CCCC1 b06a04ed90cc0e692125de0652125c7f [1,0,0,1,0,0|1,0,1]=4 16788 B11R1.5 C=CCN1CCCCCC1C 45f243c18551229b5fa5743a685b1f07 [1,0,0,1,0,0|2,0,0]=4 16789 B11R1.5 CC1CCCCCN1CC=O 9c42281793eac0f9ff4e09cff95b5799 [1,0,0,1,0,0|1,0,0]=3 16790 B11R1.5 CC1CCCCCN1CCO 057c6b87b8285708a5579f8fa31ee9f9 [1,0,0,1,0,0|1,0,1]=4 16791 B11R1.5 CC1CCOCCN1CC=O eb6d9a133a77613d7cb3a1afb4104676 [1,0,0,1,0,0|2,0,0]=4 16792 B11R1.5 CC1CCSCCN1CC=O 8e4b8682c33102c9f6b7770d2242a28f [1,0,0,1,0,0|2,0,0]=4 16793 B11R1.5 CC1COCCCN1CC=O 63b1e8fbfc246805ea050f12187de6ea [1,0,0,1,0,0|2,0,0]=4 16794 B11R1.5 CCNC1CCCCNC1=O 098d09f495a66ed384979d824580bfa2 [1,0,0,1,0,0|2,0,0]=4 16795 B11R1.5 CCN[C@@H]1CCCCC[C@@H]1O deb26c7299ed6334e1a991f54447a9c5 [1,0,0,1,0,0|1,0,1]=4 16796 B11R1.5 CCN[C@@H]1CCCCC[C@H]1O 713169aeab8b05177be1f53d96a8599b [1,0,0,1,0,0|1,0,1]=4 16797 B11R1.5 CCN[C@@H]1CCCCNC1=O 7a7dafe68975c76ed141e35a2aec69d7 [1,0,0,1,0,0|2,0,0]=4 16798 B11R1.5 CCN[C@H]1CCCCC[C@@H]1O 9b966678bef528ff6940b725ce3b16fe [1,0,0,1,0,0|1,0,1]=4 16799 B11R1.5 CCN[C@H]1CCCCNC1=O 2a68e47f98077e779c5902456b420aa5 [1,0,0,1,0,0|2,0,0]=4 16800 B11R1.5 CCOC1CCCCCC1=O 6f512a9e711095b873eeb84a2a48b1a3 [1,0,0,1,0,0|1,0,0]=3 16801 B11R1.5 O=C1CCCCCC1OCF 1d4dd4103e923ca865993bfbc40b6a96 [1,0,0,1,0,0|2,0,0]=4 16802 B11R1.5 O=CN[C@@H]1CCCCC[C@@H]1O d3325b3c25e63a999df9307534d541f3 [1,0,0,1,0,0|2,0,0]=4 16803 B11R1.5 O=CN[C@@H]1CCCCC[C@H]1O bb0838c3eaaaf658bdb3698df6bc84a4 [1,0,0,1,0,0|2,0,0]=4 16804 B11R1.5 O=CN[C@H]1CCCCC[C@@H]1O 8bcc6d7bd9d3b8b0fb58de5506b252e9 [1,0,0,1,0,0|2,0,0]=4 16805 B11R1.17 C=CCCN1CCCCC1C 810e767470a1bc2de8fb8e7f7a2ca177 [1,0,0,1,0,0|2,0,0]=4 16806 B11R1.17 C=CCCN1CCCC[C@@H]1C 5fe3077b39f3b7210ca2c2eb3de899a4 [1,0,0,1,0,0|2,0,0]=4 16807 B11R1.17 C=CCCN1CCCC[C@H]1C e070f4d6729771ab98a4b7197c08f5bc [1,0,0,1,0,0|2,0,0]=4 16808 B11R1.17 C=CCNC1CCCCC1C 0f8e1cb32627df43b10feebc2d437183 [1,0,0,1,0,0|2,0,0]=4 16809 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C 5a2a4402da25c0ab68bba3cde500961d [1,0,0,1,0,0|2,0,0]=4 16810 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1C 4a6db63969f1730e35d7ac55b1690c81 [1,0,0,1,0,0|2,0,0]=4 16811 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1C 1c5801197116ba8d45b5c1241369d490 [1,0,0,1,0,0|2,0,0]=4 16812 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C 01ef9d6efd289cbc744aeea855c543e1 [1,0,0,1,0,0|2,0,0]=4 16813 B11R1.17 C=CCOC1CCCCC1C 499585986b8d70f4b8d53e77c99298e1 [1,0,0,1,0,0|2,0,0]=4 16814 B11R1.17 C=CCO[C@@H]1CCCC[C@@H]1C 4264fb512d1b0adf711f3964d5f98030 [1,0,0,1,0,0|2,0,0]=4 16815 B11R1.17 C=CCO[C@H]1CCCC[C@@H]1C 66511d4755f17c1150b367e93f6ee423 [1,0,0,1,0,0|2,0,0]=4 16816 B11R1.17 C=CCO[C@H]1CCCC[C@H]1C 97b8607e579c0b86bed86d48c1d4973a [1,0,0,1,0,0|2,0,0]=4 16817 B11R1.17 CC1CCCCC1CNC=O 258dd7a96deba7febdb8348ed4089e86 [1,0,0,1,0,0|1,0,0]=3 16818 B11R1.17 CC1CCCCC1CNCO 69775eb9e35ab19ef3c7f4c19248721e [1,0,0,1,0,0|1,0,1]=4 16819 B11R1.17 CC1CCCCC1NCC=O 822891e5e136c9289f9711cfadb5d66b [1,0,0,1,0,0|1,0,0]=3 16820 B11R1.17 CC1CCCCC1NCCO 52c6ad311f6fad2268e1eda79c81b36a [1,0,0,1,0,0|1,0,1]=4 16821 B11R1.17 CC1CCCCC1OCC=O 7bd3b929eded7b7b89c9febdee55a5c2 [1,0,0,1,0,0|1,0,0]=3 16822 B11R1.17 CC1CCCCN1C/C=C\O 11ab161f1a6f3f9a776406ca27ecce57 [1,0,0,1,0,0|1,0,1]=4 16823 B11R1.17 CC1CCCCN1CCC=O a9b3f62835c65e514d20883a1d79e3a5 [1,0,0,1,0,0|1,0,0]=3 16824 B11R1.17 CC1CCCCN1CCCO a0173451728ed2077ecde1c84d76b55a [1,0,0,1,0,0|1,0,1]=4 16825 B11R1.17 CC1COCCC1NCC=O ed24d9af1ff56d599184a63cb4e59b59 [1,0,0,1,0,0|2,0,0]=4 16826 B11R1.17 CC1COCCC1OCC=O f6081e9b63143383237f6488ee0d71a0 [1,0,0,1,0,0|2,0,0]=4 16827 B11R1.17 CC1COCCN1CCC=O fb40ab61e2aeee45f9d26faa9b59bd31 [1,0,0,1,0,0|2,0,0]=4 16828 B11R1.17 CCCNC1CCCCC1=O 0cb59e2cec2f653dc474888b981af37e [1,0,0,1,0,0|1,0,0]=3 16829 B11R1.17 CCCNC1CCCCC1O a7a69cea9f0e251081de7c555541f76e [1,0,0,1,0,0|1,0,1]=4 16830 B11R1.17 CCCNC1CCCNC1=O 55abc9603bc8ad72c941140f99c710d8 [1,0,0,1,0,0|2,0,0]=4 16831 B11R1.17 CCCNC1COCCC1=O cc1336d3470e5f929ba83ad086081887 [1,0,0,1,0,0|2,0,0]=4 16832 B11R1.17 CCCNC1SCCCC1=O 8381da6070669fe6af4b89cf8bbf52f5 [1,0,0,1,0,0|2,0,0]=4 16833 B11R1.17 CCCN[C@@H]1CCCC[C@H]1O 305c976006d68d744857563374a03bf7 [1,0,0,1,0,0|1,0,1]=4 16834 B11R1.17 CCCN[C@@H]1CCCNC1=O 7d1db2f72e530a6681cc97b5e4db3ee2 [1,0,0,1,0,0|2,0,0]=4 16835 B11R1.17 CCCN[C@H]1CCCC[C@@H]1O d1feb4a032f6483fe5a8ed49ec4dc95c [1,0,0,1,0,0|1,0,1]=4 16836 B11R1.17 CCCN[C@H]1CCCC[C@H]1O daad993687adc821be8d24c275cce592 [1,0,0,1,0,0|1,0,1]=4 16837 B11R1.17 CCCN[C@H]1CCCNC1=O 4916f2a94ebc0e2edb168ccc952724f1 [1,0,0,1,0,0|2,0,0]=4 16838 B11R1.17 CCCOC1CCCCC1=O e4c34c8c4ab210cd57a1a2afd505d7df [1,0,0,1,0,0|1,0,0]=3 16839 B11R1.17 CCCOC1CCCNC1=O 0dd79fe7c8234340f8d36a3aacd0c241 [1,0,0,1,0,0|2,0,0]=4 16840 B11R1.17 CCCOC1CCCOC1=O bae7db991e4e9db8da62f6e44703e2f5 [1,0,0,1,0,0|2,0,0]=4 16841 B11R1.17 CCCOC1COCCC1=O 6e0c021772ee4b507917c743135eb078 [1,0,0,1,0,0|2,0,0]=4 16842 B11R1.17 CCCOC1SCCCC1=O 912f5c29d1c59e0444ed4666cb57956d [1,0,0,1,0,0|2,0,0]=4 16843 B11R1.17 CCCO[C@@H]1CCCNC1=O 63647725328b6ac5901edd510d2ccbd4 [1,0,0,1,0,0|2,0,0]=4 16844 B11R1.17 CCCO[C@H]1CCCNC1=O bce532d3fac664ccc027a489bde355a9 [1,0,0,1,0,0|2,0,0]=4 16845 B11R1.17 CCNCC1CCCCC1O 6f9959cd04171fe590f2e6148374867d [1,0,0,1,0,0|1,0,1]=4 16846 B11R1.17 CCOCC1CCCCC1=O 1418121428d59b49fd9e78a21f140e3d [1,0,0,1,0,0|1,0,0]=3 16847 B11R1.17 CCOCC1CCCNC1=O 8a41dbb5963950aeecb814af715ca666 [1,0,0,1,0,0|2,0,0]=4 16848 B11R1.17 CN1CCCCC1CNC=O 1ff54f003791a6b6f4cbc5e12734fa24 [1,0,0,1,0,0|2,0,0]=4 16849 B11R1.17 COCOC1CCCCC1=O 40c2ae16d1ea2c8c8ac779ae86b8465e [1,0,0,1,0,0|2,0,0]=4 16850 B11R1.17 CSCOC1CCCCC1=O 02fecc013f186d2622128bee88943975 [1,0,0,1,0,0|2,0,0]=4 16851 B11R1.17 C[C@@H]1CCCCN1C/C=C\O bb308b7d5c013737f5119d8892c6c70e [1,0,0,1,0,0|1,0,1]=4 16852 B11R1.17 C[C@@H]1CCCCN1CCC=O 15385e821b5f4feb5b8d61f6bf0c2a42 [1,0,0,1,0,0|1,0,0]=3 16853 B11R1.17 C[C@@H]1CCCCN1CCCO 6fd84a4e3b169ec43015356a9027c3bc [1,0,0,1,0,0|1,0,1]=4 16854 B11R1.17 C[C@@H]1CCCC[C@@H]1NCC=O 5ccf3c74006165bda80577a764d074e4 [1,0,0,1,0,0|1,0,0]=3 16855 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCO 87fc70f547ddc2db47020bf411604945 [1,0,0,1,0,0|1,0,1]=4 16856 B11R1.17 C[C@@H]1CCCC[C@@H]1OCC=O d1ac85bc7593435da4239136c56deef0 [1,0,0,1,0,0|1,0,0]=3 16857 B11R1.17 C[C@@H]1CCCC[C@H]1NCC=O f70fafce3f9483650deb6f77db1dcfdc [1,0,0,1,0,0|1,0,0]=3 16858 B11R1.17 C[C@@H]1CCCC[C@H]1NCCO b4b92dc556e26bd3055d19e7820d8afe [1,0,0,1,0,0|1,0,1]=4 16859 B11R1.17 C[C@@H]1COCCN1CCC=O f5152cd6e372460bd3468b0ef8194a97 [1,0,0,1,0,0|2,0,0]=4 16860 B11R1.17 C[C@@H]1COCC[C@@H]1NCC=O 1865100cbf3991f0eddc1c91085f1048 [1,0,0,1,0,0|2,0,0]=4 16861 B11R1.17 C[C@H]1CCCCN1C/C=C\O bfcc0e241126206ceb0837fc0e87a22c [1,0,0,1,0,0|1,0,1]=4 16862 B11R1.17 C[C@H]1CCCCN1CCC=O d1b1585713c65dadb2c8cfd5d7289b26 [1,0,0,1,0,0|1,0,0]=3 16863 B11R1.17 C[C@H]1CCCCN1CCCO 13ed03d551929cc9996e311ec7b70ce5 [1,0,0,1,0,0|1,0,1]=4 16864 B11R1.17 C[C@H]1CCCC[C@@H]1NCC=O 2297d6775451edf05514321d3fbe377c [1,0,0,1,0,0|1,0,0]=3 16865 B11R1.17 C[C@H]1CCCC[C@@H]1NCCO 5b3deeb81fb04710cff51b19df9244a1 [1,0,0,1,0,0|1,0,1]=4 16866 B11R1.17 C[C@H]1CCCC[C@@H]1OCC=O 302cd3a8de23eda591da0b5f068e9827 [1,0,0,1,0,0|1,0,0]=3 16867 B11R1.17 C[C@H]1CCCC[C@H]1NCC=O 9cc410cce0514e4359d7296e58cd83d6 [1,0,0,1,0,0|1,0,0]=3 16868 B11R1.17 C[C@H]1CCCC[C@H]1NCCO e07252d90a0c78830feaac80840cb6e3 [1,0,0,1,0,0|1,0,1]=4 16869 B11R1.17 C[C@H]1CCCC[C@H]1OCC=O 618550352360bab8ec27f338b1353a30 [1,0,0,1,0,0|1,0,0]=3 16870 B11R1.17 C[C@H]1COCCN1CCC=O c01463f5c30a2a03bcaff8a8a44e7e57 [1,0,0,1,0,0|2,0,0]=4 16871 B11R1.17 C[C@H]1COCC[C@H]1NCC=O 7ed140f571a1a877852089ee6642b244 [1,0,0,1,0,0|2,0,0]=4 16872 B11R1.17 O=C1CCCCC1COCF 25bbebcaccf0bfdc324c1d3648883a2d [1,0,0,1,0,0|2,0,0]=4 16873 B11R1.17 O=C1CCCCC1NCCI 43b317d86a6ed052fc4b71621ecfbed5 [1,0,0,1,0,0|2,0,0]=4 16874 B11R1.17 O=C1CCCCC1NCCO 90ee47ccf7f96346a67869b80f393421 [1,0,0,1,0,0|2,0,0]=4 16875 B11R1.17 O=C1CCCCC1NCCS 0d61179f00a6f609c429a53f8c5546d2 [1,0,0,1,0,0|2,0,0]=4 16876 B11R1.17 O=C1CCCCC1OCCF 752b273070ae9004da396d378d62e3a0 [1,0,0,1,0,0|2,0,0]=4 16877 B11R1.17 O=C1CCCCC1OCCS 11cd2cf2fe159c6c52530f28d1e1ce33 [1,0,0,1,0,0|2,0,0]=4 16878 B11R1.17 O=CCNC1CCCCC1O ccf03e475b42dc4fe89b7584e87e45b7 [1,0,0,1,0,0|2,0,0]=4 16879 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1O 1b31fa31ebde8fc8b834456456cc27f4 [1,0,0,1,0,0|2,0,0]=4 16880 B11R1.17 O=CCN[C@H]1CCCC[C@@H]1O f7e1b7228d7aa13c14e004e83b31b729 [1,0,0,1,0,0|2,0,0]=4 16881 B11R1.17 O=CCN[C@H]1CCCC[C@H]1O b185ae73559d2735ee8f823fd465ae06 [1,0,0,1,0,0|2,0,0]=4 16882 B11R1.17 O=CCOC1CCCCC1F 43f570b02cbac0a2c7872aaa8027cf7e [1,0,0,1,0,0|2,0,0]=4 16883 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 387cb05df7314dd3c1a9efe9af5937e4 [1,0,0,1,0,0|2,0,0]=4 16884 B11R1.17 O=CNCC1CCCCC1O 438da8e64898a3094d65ec7aa4e7597b [1,0,0,1,0,0|2,0,0]=4 16885 B11R1.18 C=CCCN1CCCC1CC 8e662de26b3c936902230ddada86251b [1,0,0,1,0,0|2,0,0]=4 16886 B11R1.18 C=CCCN1CCC[C@H]1CC 36a33bc940ddf470ed8d44a41b412382 [1,0,0,1,0,0|2,0,0]=4 16887 B11R1.18 C=CCN[C@@H]1CCC[C@H]1CC 5ecefcd709f3966a1416917431009e50 [1,0,0,1,0,0|2,0,0]=4 16888 B11R1.18 CCC1CCCN1C/C=C\O 8c63826698c8ed12bcac94650100699f [1,0,0,1,0,0|1,0,1]=4 16889 B11R1.18 CCC1CCCN1CCC=O 47035705b2c191688d94bc2b4de92525 [1,0,0,1,0,0|1,0,0]=3 16890 B11R1.18 CCC1CCCN1CCCO 803ebab82fbf275fabb90b1b0ce7fcdc [1,0,0,1,0,0|1,0,1]=4 16891 B11R1.18 CCCCC1CCCN1C=O f9fe6f1960c38f8e27c71435c0790d85 [1,0,0,1,0,0|1,0,0]=3 16892 B11R1.18 CCCCC1CCCN1CO 1152907f1020b8b4004dacf8ec4bab60 [1,0,0,1,0,0|1,0,1]=4 16893 B11R1.18 CCCCN1CCCC1CO 83d221fbb3b16ae3b7a08929ebb75712 [1,0,0,1,0,0|1,0,1]=4 16894 B11R1.18 CCCCN1CCC[C@@H]1CO 2ab854d0a1cd0494d03c2c9c60b4dd9d [1,0,0,1,0,0|1,0,1]=4 16895 B11R1.18 CCCCN1CCC[C@H]1CO 9a57a266850776285275dd1df46f1f8a [1,0,0,1,0,0|1,0,1]=4 16896 B11R1.18 CCCN[C@H]1CCC[C@H]1CO 7f9e01219e173aa81717ebe34fce9daa [1,0,0,1,0,0|1,0,1]=4 16897 B11R1.18 CCN1CCCC1CNC=O 668d728ae9c951784a14bf6c0c5e2208 [1,0,0,1,0,0|2,0,0]=4 16898 B11R1.18 CCN1CCC[C@@H]1CNC=O 21fa6913e5453564298ea3070ea2215e [1,0,0,1,0,0|2,0,0]=4 16899 B11R1.18 CCN1CCC[C@H]1CNC=O d9874a093165768001c8a4db20705a7b [1,0,0,1,0,0|2,0,0]=4 16900 B11R1.18 CCOCC1CCCN1C=O 7739d1f214d06f7cd81dcc2ed123aa0b [1,0,0,1,0,0|2,0,0]=4 16901 B11R1.18 CCOC[C@@H]1CCCN1C=O f41b6e30c92d05706e1f30c0837b4700 [1,0,0,1,0,0|2,0,0]=4 16902 B11R1.18 CC[C@@H]1CCCN1C/C=C\O ab545eb27e2b646c47c00c0adffe856f [1,0,0,1,0,0|1,0,1]=4 16903 B11R1.18 CC[C@@H]1CCCN1CCC=O 8be174ea9fd4203f533342cb69d2c468 [1,0,0,1,0,0|1,0,0]=3 16904 B11R1.18 CC[C@@H]1CCCN1CCCO 5b187df5386c82d4eca96fb746f1d513 [1,0,0,1,0,0|1,0,1]=4 16905 B11R1.18 CC[C@@H]1CCC[C@H]1NCC=O cffe896e8e9e473dd8581316ce513290 [1,0,0,1,0,0|1,0,0]=3 16906 B11R1.18 CC[C@@H]1CCC[C@H]1NCCO 41cde81dbb377171e1bff224d9430c1b [1,0,0,1,0,0|1,0,1]=4 16907 B11R1.18 COC1CCCC1NCC=O cd7a15103d953941a3673dec60d7ee5c [1,0,0,1,0,0|2,0,0]=4 16908 B11R1.18 COC1CCCN1CCC=O 38a7379dcc17b687e93f8c4bc8274c73 [1,0,0,1,0,0|2,0,0]=4 16909 B11R1.18 COCCC1CCCN1C=O 0f8e87a78eff5380c7b508ec841c3416 [1,0,0,1,0,0|2,0,0]=4 16910 B11R1.18 CO[C@@H]1CCC[C@@H]1NCC=O 09985e90e2b6927ff600765903caa7c7 [1,0,0,1,0,0|2,0,0]=4 16911 B11R1.18 CO[C@@H]1CCC[C@H]1NCC=O 7b5754647e7a87ef80e97c150b1527ed [1,0,0,1,0,0|2,0,0]=4 16912 B11R1.18 CO[C@H]1CCC[C@@H]1NCC=O ff5100bce6835a02720410d03b72a000 [1,0,0,1,0,0|2,0,0]=4 16913 B11R1.18 O=CCCN1CCCC1CO d3058bb00c5e8a9eb569d6dc1adde780 [1,0,0,1,0,0|2,0,0]=4 16914 B11R1.18 O=CCCN1CCC[C@@H]1CF 69997a9ba3343895dadd102ac3d2888e [1,0,0,1,0,0|2,0,0]=4 16915 B11R1.18 O=CCCN1CCC[C@@H]1CO 50f660fb87c25d6054216ec35ea1ade3 [1,0,0,1,0,0|2,0,0]=4 16916 B11R1.18 O=CCCN1CCC[C@H]1CF 60db2373d9ff83aa301188fc6049cafa [1,0,0,1,0,0|2,0,0]=4 16917 B11R1.18 O=CCCN1CCC[C@H]1CO 8e4ad7fd638baa9a54146710b4866999 [1,0,0,1,0,0|2,0,0]=4 16918 B11R1.18 O=CCN[C@H]1CCC[C@H]1CO 5f4e04ab5f215feba49ebd4c03759e33 [1,0,0,1,0,0|2,0,0]=4 16919 B11R1.28 C=CCCNC1CCCCC1 37033c5679cab1747de8325a668ed17d [1,0,0,1,0,0|2,0,0]=4 16920 B11R1.28 C=CCCOC1CCCCC1 d3010c4986fc7af7404f06ae7395c5c7 [1,0,0,1,0,0|2,0,0]=4 16921 B11R1.28 C=CCNCC1CCCCC1 a9f671ac3caf79c5700dd42ed181b6a3 [1,0,0,1,0,0|2,0,0]=4 16922 B11R1.28 C=CCOCC1CCCCC1 9848ef5b125783442bfb47c81d54c094 [1,0,0,1,0,0|2,0,0]=4 16923 B11R1.28 CCCCNC1C=CCCC1 dce42cf7a9ac90c8acb74a49a788654b [1,0,0,1,0,0|2,0,0]=4 16924 B11R1.28 CCCCNC1CCCCO1 3bd035030ae808d12bab4c5cba6dcb1f [1,0,0,1,0,0|1,0,1]=4 16925 B11R1.28 CCCCOC1C=CCCC1 95436f839186f58fde9551622165262e [1,0,0,1,0,0|2,0,0]=4 16926 B11R1.28 CCCCOC1CCCCO1 876a79fef12cc68fcbedfbd209aaa824 [1,0,0,1,0,0|1,0,1]=4 16927 B11R1.28 CCCNCC1CCCCO1 fe32d4ffbdc5749c38e47cf869213fa5 [1,0,0,1,0,0|1,0,1]=4 16928 B11R1.28 CCCOCC1CCC=CO1 e89dcca9344c6e6ffe5fd85c14cfe540 [1,0,0,1,0,0|1,0,1]=4 16929 B11R1.28 CCCOCC1CCCCO1 90f98ba9e9eadc1d9df337afb14e5eef [1,0,0,1,0,0|1,0,1]=4 16930 B11R1.28 CCCOC[C@@H]1CCCCO1 20a5d3e0feb8c992886908978ec6f96d [1,0,0,1,0,0|1,0,1]=4 16931 B11R1.28 CCCOC[C@H]1CCCCO1 6cb49fd295b71bf392a373607d504cfc [1,0,0,1,0,0|1,0,1]=4 16932 B11R1.28 CCNCCC1CCCCO1 0514cc2009abea27205eb2d4527ea2a3 [1,0,0,1,0,0|1,0,1]=4 16933 B11R1.28 CCOCCC1CCCCO1 0eb2e7b6ffe2601ad6e04d63bcdae13d [1,0,0,1,0,0|1,0,1]=4 16934 B11R1.28 O=CCCCN1CCCOC1 aac95fd94f5acde58a7faa2e3bc7c198 [1,0,0,1,0,0|2,0,0]=4 16935 B11R1.28 O=CCCCN1CCCSC1 54e9a7749ab3b63f2369b93b47242618 [1,0,0,1,0,0|2,0,0]=4 16936 B11R1.28 O=CCCCN1CCOCC1 4d8fded02da410c7ffdea5157f100216 [1,0,0,1,0,0|2,0,0]=4 16937 B11R1.28 O=CCCCN1CCSCC1 a6cf93763e064af5b12546807fa16e13 [1,0,0,1,0,0|2,0,0]=4 16938 B11R1.28 O=CCCNC1CCCOC1 65269ac699fca721578ce6e2ea9f599b [1,0,0,1,0,0|2,0,0]=4 16939 B11R1.28 O=CCCNC1CCOCC1 13371183d4fca46aa56a0438533856d7 [1,0,0,1,0,0|2,0,0]=4 16940 B11R1.28 O=CCCNC1CCSCC1 f21da9d2f0b7e6943ef811bc29f7af54 [1,0,0,1,0,0|2,0,0]=4 16941 B11R1.28 O=CCCN[C@@H]1CCCOC1 28647d2b55756857dc761ff001ee8589 [1,0,0,1,0,0|2,0,0]=4 16942 B11R1.28 O=CCCN[C@H]1CCCOC1 2cef133abcb8c5758c7540eadd2ac14f [1,0,0,1,0,0|2,0,0]=4 16943 B11R1.28 O=CCCOC1CCCCC1 645c96a53a3cbc5d81abe2f23a3ce3dd [1,0,0,1,0,0|1,0,0]=3 16944 B11R1.28 O=CCCOC1CCCCO1 54a4dbf23bbe0e0ef9d7403df910fc3b [1,0,0,1,0,0|2,0,0]=4 16945 B11R1.28 O=CCCOC1CCCOC1 d505233fbaa391a22f2e95c0f424fcf2 [1,0,0,1,0,0|2,0,0]=4 16946 B11R1.28 O=CCCOC1CCCSC1 547919c60df0b9c1a9b244c85e0cda42 [1,0,0,1,0,0|2,0,0]=4 16947 B11R1.28 O=CCCOC1CCOCC1 ba9cd8b54cc02e97a15fbaf55afc62ee [1,0,0,1,0,0|2,0,0]=4 16948 B11R1.28 O=CCCOC1CCSCC1 a9ff16b8eeac4279546f1131748045bf [1,0,0,1,0,0|2,0,0]=4 16949 B11R1.28 O=CCCO[C@@H]1CCCOC1 befbfe1280608682ff0ff398c8df937b [1,0,0,1,0,0|2,0,0]=4 16950 B11R1.28 O=CCCO[C@H]1CCCOC1 01084d62fa7c8bf8db5a686ba9966eab [1,0,0,1,0,0|2,0,0]=4 16951 B11R1.28 O=CCNCC1CCCCC1 2384e459251cdf4e13efbde379898487 [1,0,0,1,0,0|1,0,0]=3 16952 B11R1.28 O=CCNCC1CCCCO1 e34a82bc0f04e89e34ad8322fd2514ec [1,0,0,1,0,0|2,0,0]=4 16953 B11R1.28 O=CCNCC1CCCOC1 c6a913f3430bf8083f64f61ae15de9ce [1,0,0,1,0,0|2,0,0]=4 16954 B11R1.28 O=CCNCC1CCOCC1 d644d25fbf43d3f9dd19d31e71f069cc [1,0,0,1,0,0|2,0,0]=4 16955 B11R1.28 O=CCNCC1CCSCC1 84c7ca4896181167957b998a3331e2f5 [1,0,0,1,0,0|2,0,0]=4 16956 B11R1.28 O=CCNC[C@@H]1CCCOC1 5aa71edb1056d9bf6feae5b98a1f3a14 [1,0,0,1,0,0|2,0,0]=4 16957 B11R1.28 O=CCNC[C@H]1CCCOC1 d928a3aa88aef6bc46207a2dfadb0ad0 [1,0,0,1,0,0|2,0,0]=4 16958 B11R1.28 O=CCOCC1CCCCC1 5a2f7280d1bce864ba80d6bc8e83ff36 [1,0,0,1,0,0|1,0,0]=3 16959 B11R1.28 O=CCOCC1CCCCO1 91292454926d4369eb7f66eaf2c652a9 [1,0,0,1,0,0|2,0,0]=4 16960 B11R1.28 O=CCOCC1CCCOC1 17b1c21655cf1b68e5ef961957a8f44d [1,0,0,1,0,0|2,0,0]=4 16961 B11R1.28 O=CCOCC1CCOCC1 d82d1bcdd21fcaabe89a0ad81a686577 [1,0,0,1,0,0|2,0,0]=4 16962 B11R1.28 O=CCOCC1CCSCC1 09c5922a59d5afeabdad5dbc9dc82daf [1,0,0,1,0,0|2,0,0]=4 16963 B11R1.28 O=CCOC[C@@H]1CCCCO1 f9c127b38bd1c4b88be283376fec901e [1,0,0,1,0,0|2,0,0]=4 16964 B11R1.28 O=CCOC[C@@H]1CCCOC1 bee4ccfebcc4e430903e809e7515d840 [1,0,0,1,0,0|2,0,0]=4 16965 B11R1.28 O=CCOC[C@H]1CCCCO1 8e7b529e748cdcc0d5c00876bb8614ec [1,0,0,1,0,0|2,0,0]=4 16966 B11R1.28 O=CCOC[C@H]1CCCOC1 c6247223f6f4b0ef4c6765bfe6f23190 [1,0,0,1,0,0|2,0,0]=4 16967 B11R1.28 O=CNCCC1CCCCC1 220c987def40116415ea87c985755b84 [1,0,0,1,0,0|1,0,0]=3 16968 B11R1.28 O=CNCCC1CCCCO1 f1a2bf8898129b06fd6a78dc89723693 [1,0,0,1,0,0|2,0,0]=4 16969 B11R1.28 O=CNCCC1CCCOC1 8f53ee72f7b032fe736848b9fedb526f [1,0,0,1,0,0|2,0,0]=4 16970 B11R1.28 O=CNCCC1CCOCC1 e2aa740f65d2b20bdd159bb246e12a64 [1,0,0,1,0,0|2,0,0]=4 16971 B11R1.28 O=CNCCC1CCSCC1 9348ba89d40ebc224bc7ce1914c13534 [1,0,0,1,0,0|2,0,0]=4 16972 B11R1.28 O=CNCCN1CCCCC1 e9adda18df1ce8475ea8a4e37a7726db [1,0,0,1,0,0|2,0,0]=4 16973 B11R1.28 OCCCNC1CCCCC1 11a7a7781105afae04cf0eaaf16b5aa1 [1,0,0,1,0,0|1,0,1]=4 16974 B11R1.28 OCCNCC1CCCCC1 e116e6fe6cf50ae26cbc6aa1c79b1b6b [1,0,0,1,0,0|1,0,1]=4 16975 B11R1.28 OCNCCC1CCCCC1 5efc6e566b59ea85b5b691a2ceb88c55 [1,0,0,1,0,0|1,0,1]=4 16976 B11R1.41 C=CCN1CCCCC1CC 02c8c62d6915b7a1d06ee1745ca1fed9 [1,0,0,1,0,0|2,0,0]=4 16977 B11R1.41 C=CCN1CCCC[C@@H]1CC a5001501238411088cba9e2b614649de [1,0,0,1,0,0|2,0,0]=4 16978 B11R1.41 C=CCN1CCCC[C@H]1CC d7ed1e8e9692d344b7e07ff073dd73d9 [1,0,0,1,0,0|2,0,0]=4 16979 B11R1.41 CCC1CCCCN1CC=O 748aabe74482115f55e00322a7b46875 [1,0,0,1,0,0|1,0,0]=3 16980 B11R1.41 CCC1CCCCN1CCO 0401c5f429c790b76a4d5dfa63345bf3 [1,0,0,1,0,0|1,0,1]=4 16981 B11R1.41 CCC1COCCC1NC=O 9765dbe94cce8d7e77e2060d0e49c2f2 [1,0,0,1,0,0|2,0,0]=4 16982 B11R1.41 CCC1COCCN1CC=O ea1a69a63e6299cc8f64991f8d3dc2fe [1,0,0,1,0,0|2,0,0]=4 16983 B11R1.41 CCCC1COCCN1C=O e2fdf13ed79dc3e9f5731911aab241f0 [1,0,0,1,0,0|2,0,0]=4 16984 B11R1.41 CCCN1CCCCC1C=O 779bff4fb323826d8a2359ef062e427c [1,0,0,1,0,0|1,0,0]=3 16985 B11R1.41 CCCN1CCCCC1CO cbdcf5ac41b8638f32db05ab0071fc53 [1,0,0,1,0,0|1,0,1]=4 16986 B11R1.41 CCCN1CCCC[C@@H]1CO 81bf1346884b73c414b8ca8dd7de270a [1,0,0,1,0,0|1,0,1]=4 16987 B11R1.41 CCCN1CCCC[C@H]1CO 634940ce88b6dfc96c3ac67ec2e69e71 [1,0,0,1,0,0|1,0,1]=4 16988 B11R1.41 CCN1CCCCC1CCO b9f5cf9d4760ab3b20f8fc4f4bd6c46c [1,0,0,1,0,0|1,0,1]=4 16989 B11R1.41 CCN1CCCC[C@@H]1CCO 40c75c3fe5c226eb0c040626ccf3ce44 [1,0,0,1,0,0|1,0,1]=4 16990 B11R1.41 CCN1CCCC[C@H]1CCO 8281549c53ce644ed205bf54245ed833 [1,0,0,1,0,0|1,0,1]=4 16991 B11R1.41 CCN[C@@H]1CCCC[C@@H]1CO 428345999db4a73120dd9126a2d5dc20 [1,0,0,1,0,0|1,0,1]=4 16992 B11R1.41 CCN[C@@H]1CCCC[C@H]1CO 220b704f10481bbeec7d5a9df2e4beb3 [1,0,0,1,0,0|1,0,1]=4 16993 B11R1.41 CCN[C@H]1CCCC[C@H]1CO 2aa408ffb74a00ab65ee745d9718ff38 [1,0,0,1,0,0|1,0,1]=4 16994 B11R1.41 CC[C@@H]1CCCCN1CC=O 4159365175d2ec814c24df618d6c0669 [1,0,0,1,0,0|1,0,0]=3 16995 B11R1.41 CC[C@@H]1CCCCN1CCO 31c74c02e02d1431ecaa933f030f1164 [1,0,0,1,0,0|1,0,1]=4 16996 B11R1.41 CC[C@@H]1COCCN1CC=O 71a635d2d95df1eda066071986894751 [1,0,0,1,0,0|2,0,0]=4 16997 B11R1.41 CC[C@H]1CCCCN1CC=O 91e74095fda1ba31ae667e551915a7e2 [1,0,0,1,0,0|1,0,0]=3 16998 B11R1.41 CC[C@H]1CCCCN1CCO 4087292e87a1b50826328ff916748508 [1,0,0,1,0,0|1,0,1]=4 16999 B11R1.41 CC[C@H]1COCCN1CC=O 0380b104b2af0705bf874f98e4f516a0 [1,0,0,1,0,0|2,0,0]=4 17000 B11R1.41 COC1CCCCC1NC=O cc5e2a74ace5b96f1afb859e3def4284 [1,0,0,1,0,0|2,0,0]=4 17001 B11R1.41 COCC1CCCCN1C=O 003f6ac622e717753949e516f2fe6b06 [1,0,0,1,0,0|2,0,0]=4 17002 B11R1.41 COCN1CCCCC1C=O 674b47be3fb9c49aaadf04c9157713f3 [1,0,0,1,0,0|2,0,0]=4 17003 B11R1.41 CO[C@H]1CCCC[C@@H]1NC=O f68560348deb1cf0ef006703908d203d [1,0,0,1,0,0|2,0,0]=4 17004 B11R1.41 CSCN1CCCCC1C=O 845f07a8bb8c59556220158a33ca6831 [1,0,0,1,0,0|2,0,0]=4 17005 B11R1.41 O=CC1CCCCN1CCF 096b13f145396f8acffa8b945e0402b8 [1,0,0,1,0,0|2,0,0]=4 17006 B11R1.41 O=CC1CCCCN1CCO c32cf7455db21a044c1a5b45adb233a2 [1,0,0,1,0,0|2,0,0]=4 17007 B11R1.41 O=CC1CCCCN1CCS f3a93ffa6cbc3fe81c6ae68a97eac263 [1,0,0,1,0,0|2,0,0]=4 17008 B11R1.41 O=CCN1CCCCC1CO 48cda386568df1883dff822fa7f6127f [1,0,0,1,0,0|2,0,0]=4 17009 B11R1.41 O=CCN1CCCC[C@@H]1CO d70841756a3e93b7ed5cb250d3fabcfd [1,0,0,1,0,0|2,0,0]=4 17010 B11R1.41 O=CCN1CCCC[C@H]1CO 73f1dc92f2db511a8dc812ca4bfbaac4 [1,0,0,1,0,0|2,0,0]=4 17011 B11R1.41 O=CN1CCCCC1CCCl de16885f2ba98db914311c6a93db209b [1,0,0,1,0,0|2,0,0]=4 17012 B11R1.41 O=CN1CCCCC1CCO c4576a8e51aba6c9816d4a04c3899092 [1,0,0,1,0,0|2,0,0]=4 17013 B11R1.41 O=CN1CCCC[C@@H]1CCO 5f9e42c8fe8072b9d385f4f6fb1c8a65 [1,0,0,1,0,0|2,0,0]=4 17014 B11R1.41 O=CN1CCCC[C@H]1CCO 6f395d74181d8ecaae782f2951511648 [1,0,0,1,0,0|2,0,0]=4 17015 B11R1.41 O=CN[C@@H]1CCCC[C@@H]1CO 9d20d8d62d25011a622962147aa3b6d2 [1,0,0,1,0,0|2,0,0]=4 17016 B11R1.41 O=CN[C@@H]1CCCC[C@H]1CO f353a135c51fbe92959326a57efea182 [1,0,0,1,0,0|2,0,0]=4 17017 B11R1.41 O=CN[C@H]1CCCC[C@H]1CO 77e3fca0ffe3271fe24eb97865c93f43 [1,0,0,1,0,0|2,0,0]=4 17018 B11R1.47 C=CCCCCCN1CCC1 d8a3224a8be51f53c777d35c7874f42e [1,0,0,1,0,0|2,0,0]=4 17019 B11R1.47 C=CCCCCNC1CCC1 b28d9aabeb662556c2487960afeb07c7 [1,0,0,1,0,0|2,0,0]=4 17020 B11R1.47 C=CCCCCOC1CCC1 ca3b73c39921c9e199dfd2a180720775 [1,0,0,1,0,0|2,0,0]=4 17021 B11R1.47 C=CCCCNCC1CCC1 192b69b63d594e85bf396908262e6cf6 [1,0,0,1,0,0|2,0,0]=4 17022 B11R1.47 C=CCCCOCC1CCC1 3b2bfba5f420f41f0194bd9bdd5877eb [1,0,0,1,0,0|2,0,0]=4 17023 B11R1.47 C=CCCNCCC1CCC1 f48fe70bc23c638f8a76d338da0aa75c [1,0,0,1,0,0|2,0,0]=4 17024 B11R1.47 C=CCCOCCC1CCC1 8f6166327340bd828df24d180eb508e8 [1,0,0,1,0,0|2,0,0]=4 17025 B11R1.47 C=CCOCCCC1CCC1 ccc7ee2ccf2d42de5de7fde10fdbb8ce [1,0,0,1,0,0|2,0,0]=4 17026 B11R1.47 CCCCCNCC1CCO1 747d73e477ba3b14fd230fc000ba1d9d [1,0,0,1,0,0|1,0,1]=4 17027 B11R1.47 CCCCCNC[C@@H]1CCO1 392043285bd95ae0ff440cf219d169df [1,0,0,1,0,0|1,0,1]=4 17028 B11R1.47 CCCCCNC[C@H]1CCO1 41699c21d22797562e5382c98c16cc28 [1,0,0,1,0,0|1,0,1]=4 17029 B11R1.47 CCCCCOCC1CCO1 2e0bdffc82cf36dcae98e3535b3870ad [1,0,0,1,0,0|1,0,1]=4 17030 B11R1.47 CCCCCOC[C@@H]1CCO1 b570869864ddf9b5b97f907b686a338e [1,0,0,1,0,0|1,0,1]=4 17031 B11R1.47 CCCCCOC[C@H]1CCO1 90d4e592e9f8fd134e8b79d08ad995c8 [1,0,0,1,0,0|1,0,1]=4 17032 B11R1.47 CCCCNCCC1CCO1 67f965a722148d216740f7201bb6dc41 [1,0,0,1,0,0|1,0,1]=4 17033 B11R1.47 CCCCNCC[C@@H]1CCO1 aa789319497701350747a24114258a67 [1,0,0,1,0,0|1,0,1]=4 17034 B11R1.47 CCCCOCCC1CCO1 0d19e3cf6ded3e448b9a2892fc698aa6 [1,0,0,1,0,0|1,0,1]=4 17035 B11R1.47 CCCCOCC[C@@H]1CCO1 4c92bef55ca26b5a622f3bbe7b5f493e [1,0,0,1,0,0|1,0,1]=4 17036 B11R1.47 CCCCOCC[C@H]1CCO1 34694f9909c56c54c4a207264ca54746 [1,0,0,1,0,0|1,0,1]=4 17037 B11R1.47 O/C=C\CNCCC1CCC1 365baf71b35d4a972022ea2152fc3069 [1,0,0,1,0,0|1,0,1]=4 17038 B11R1.47 O=CCCCCCN1CCC1 c56b7a19fc03aaf62991c098d6a5fcc2 [1,0,0,1,0,0|1,0,0]=3 17039 B11R1.47 O=CCCCCNC1CCC1 75f5a2ff94555eebeac27f021bd9654f [1,0,0,1,0,0|1,0,0]=3 17040 B11R1.47 O=CCCCCNC1COC1 0762a3b3d44dfde786d4afcee55cf857 [1,0,0,1,0,0|2,0,0]=4 17041 B11R1.47 O=CCCCCOC1CCC1 2913cebc375731d5d15805d328552e34 [1,0,0,1,0,0|1,0,0]=3 17042 B11R1.47 O=CCCCCOC1COC1 911a3e359649f3fbf088161da3e54fd3 [1,0,0,1,0,0|2,0,0]=4 17043 B11R1.47 O=CCCCCOC1CSC1 178e40830030728e732e91c0e86da64f [1,0,0,1,0,0|2,0,0]=4 17044 B11R1.47 O=CCCCNCC1CCC1 301c1ff1fb0553def142914f5c4000a6 [1,0,0,1,0,0|1,0,0]=3 17045 B11R1.47 O=CCCCNCC1CCO1 40b8fd8bb833485940ed3b8c48f4c1b6 [1,0,0,1,0,0|2,0,0]=4 17046 B11R1.47 O=CCCCNCC1COC1 5dd25db3e6e6408504512df36989f219 [1,0,0,1,0,0|2,0,0]=4 17047 B11R1.47 O=CCCCNC[C@@H]1CCO1 feb7e48651d00387604ad594e4fbfdda [1,0,0,1,0,0|2,0,0]=4 17048 B11R1.47 O=CCCCNC[C@H]1CCO1 8b297e3bb632dbaaae24604479b99337 [1,0,0,1,0,0|2,0,0]=4 17049 B11R1.47 O=CCCCOCC1CCC1 9dfdb12ea4fc4ff4d6503844782e0ff3 [1,0,0,1,0,0|1,0,0]=3 17050 B11R1.47 O=CCCCOCC1CCO1 6d0c239502595cb50a50cf929fe76549 [1,0,0,1,0,0|2,0,0]=4 17051 B11R1.47 O=CCCCOCC1COC1 1804523baec8eb7a0e06f33076dc2211 [1,0,0,1,0,0|2,0,0]=4 17052 B11R1.47 O=CCCCOCC1CSC1 2c4589878b29ba6f52ffcac9ba7101d2 [1,0,0,1,0,0|2,0,0]=4 17053 B11R1.47 O=CCCCOC[C@@H]1CCO1 58d8ce4213e6b593fe63737c639e6afc [1,0,0,1,0,0|2,0,0]=4 17054 B11R1.47 O=CCCCOC[C@H]1CCO1 6076d74cb8c1aaaeb6b4bff9efca0155 [1,0,0,1,0,0|2,0,0]=4 17055 B11R1.47 O=CCCNCCC1CCC1 fc61c913d96908cf9a400d2d72428e1a [1,0,0,1,0,0|1,0,0]=3 17056 B11R1.47 O=CCCNCCC1CCO1 79f75aa225aedc96c37693d72d6075a0 [1,0,0,1,0,0|2,0,0]=4 17057 B11R1.47 O=CCCNCCC1COC1 ea1dde4d6c90fc1220594596d01df269 [1,0,0,1,0,0|2,0,0]=4 17058 B11R1.47 O=CCCNCCN1CCC1 4be273fd4a841f4013928ddb3bbbc460 [1,0,0,1,0,0|2,0,0]=4 17059 B11R1.47 O=CCCNCC[C@@H]1CCO1 dee10427a944e656d873c1650f85ea03 [1,0,0,1,0,0|2,0,0]=4 17060 B11R1.47 O=CCCOCCC1CCC1 d2e6b7e727c3111e6f6b4f0ab6792209 [1,0,0,1,0,0|1,0,0]=3 17061 B11R1.47 O=CCCOCCC1CCO1 6583b14541770405b49a7712bab8223b [1,0,0,1,0,0|2,0,0]=4 17062 B11R1.47 O=CCCOCCC1COC1 2d89af37364957099f82bffa9ebf0cf7 [1,0,0,1,0,0|2,0,0]=4 17063 B11R1.47 O=CCCOCCN1CCC1 61690bd35fb5ef69e82b4e9a98b421b2 [1,0,0,1,0,0|2,0,0]=4 17064 B11R1.47 O=CCCOCC[C@@H]1CCO1 503e9eec4a97671bd62a4e276ca38691 [1,0,0,1,0,0|2,0,0]=4 17065 B11R1.47 O=CCCOCC[C@H]1CCO1 96fb0b8b45a42b2ab0eadd4bd1bf1008 [1,0,0,1,0,0|2,0,0]=4 17066 B11R1.47 O=CCNCCCN1CCC1 e5b12e08fe549e3fd992a3a824a5b51c [1,0,0,1,0,0|2,0,0]=4 17067 B11R1.47 O=CCOCCCC1CCC1 89bf29590ca7e24e87e455b2a1b954b7 [1,0,0,1,0,0|1,0,0]=3 17068 B11R1.47 O=CCOCCCC1COC1 a0fec38c8e3b919f8d164081dfde8578 [1,0,0,1,0,0|2,0,0]=4 17069 B11R1.47 O=CCOCCCN1CCC1 5325495df171952119057449f3463856 [1,0,0,1,0,0|2,0,0]=4 17070 B11R1.47 O=CCOCCNC1CCC1 b77a033f0c4bc5587efc21ae58733ec7 [1,0,0,1,0,0|2,0,0]=4 17071 B11R1.47 O=CCOCCOC1CCC1 62de987882c488ca731efb46485a6f4a [1,0,0,1,0,0|2,0,0]=4 17072 B11R1.47 O=CNCCOCC1CCC1 e4b23a00e16e84c2653122be2a629192 [1,0,0,1,0,0|2,0,0]=4 17073 B11R1.47 O=COCCOCC1CCC1 e88defb0615e27ac207f73153424d783 [1,0,0,1,0,0|2,0,0]=4 17074 B11R1.47 OCCCCCCN1CCC1 dfe981e98bf6d51c7c123615845307d8 [1,0,0,1,0,0|1,0,1]=4 17075 B11R1.47 OCCCCCNC1CCC1 29510c75b03d87ee75f1b9d5bd17ea59 [1,0,0,1,0,0|1,0,1]=4 17076 B11R1.47 OCCCCNCC1CCC1 b7e9410c195c187fafce32b9457cc986 [1,0,0,1,0,0|1,0,1]=4 17077 B11R1.47 OCCCNCCC1CCC1 85e191147830ea37186697a32920468c [1,0,0,1,0,0|1,0,1]=4 17078 B11R1.51 CCN1CCCCCC1CO 5b9c33c66c2a14262594aac64dae96e9 [1,0,0,1,0,0|1,0,1]=4 17079 B11R1.51 O=CN1CCCCCC1CO 34df2798911195fb5d840c932a73261e [1,0,0,1,0,0|2,0,0]=4 17080 B11R1.52 C=CCCC[C@@H]1C[C@H]1OCC eadc01e53777ec1d11da3642bc02489a [1,0,0,1,0,0|2,0,0]=4 17081 B11R1.52 COC[C@@H]1C[C@@H]1NCCC=O 3cddee1606d16f73f058d1a84cb0c2d4 [1,0,0,1,0,0|2,0,0]=4 17082 B11R1.52 COC[C@H]1C[C@@H]1NCCC=O f55116005a9285869630bfc45cbecde3 [1,0,0,1,0,0|2,0,0]=4 17083 B11R1.109 CCCC1SCCN1CC=O a87d4af6de42751a08b3ff59ca75e339 [1,0,0,1,0,0|2,0,0]=4 17084 B11R1.109 CCCN1CCCC1CCO 0546c8bf6c6bab9276b0a60be9bf47e2 [1,0,0,1,0,0|1,0,1]=4 17085 B11R1.109 CCCN1CCC[C@@H]1CCO 4278d4edf676540698dba79e59f9ddee [1,0,0,1,0,0|1,0,1]=4 17086 B11R1.109 COCC1CCCN1CC=O e20c1da706eff8f0329b571187f10fd5 [1,0,0,1,0,0|2,0,0]=4 17087 B11R1.109 COC[C@@H]1CCCN1CC=O c569ad498101c1cdd6cd5f439c01571d [1,0,0,1,0,0|2,0,0]=4 17088 B11R1.109 COC[C@@H]1CCC[C@@H]1NC=O a0fe001d6cdfaaf3623856104716f7f0 [1,0,0,1,0,0|2,0,0]=4 17089 B11R1.109 COC[C@H]1CCCN1CC=O d528c6178d78e83bf3e01029eb783e85 [1,0,0,1,0,0|2,0,0]=4 17090 B11R1.109 COC[C@H]1CCC[C@H]1NC=O b787590547911d91ead82d395e79a444 [1,0,0,1,0,0|2,0,0]=4 17091 B11R1.109 CSCC1CCCN1CC=O b4b3f4c4cfa9095f4de301d93c957f2e [1,0,0,1,0,0|2,0,0]=4 17092 B11R1.109 O=CCN1CCCC1CCO 9b3708cae993f53c7c76ba2d3a483367 [1,0,0,1,0,0|2,0,0]=4 17093 B11R1.109 O=CCN1CCC[C@@H]1CCO 6d44f882d680b24d045e66fc3f07af23 [1,0,0,1,0,0|2,0,0]=4 17094 B11R1.117 C=CCN1CCCCCCC1 b8c721bc6d7189437389e8e008b757df [1,0,0,1,0,0|2,0,0]=4 17095 B11R1.117 CCNC1/C=C\CCCCC1 d336d57c3ba520e6ee9fd53bada66f35 [1,0,0,1,0,0|2,0,0]=4 17096 B11R1.117 CCOC1/C=C/CCCCC1 abf2246196c4ef31596e50aa932027ef [1,0,0,1,0,0|2,0,0]=4 17097 B11R1.117 CCOC1/C=C\CCCCC1 4423aca8181b7315cb102110ae25321b [1,0,0,1,0,0|2,0,0]=4 17098 B11R1.117 CCOC1C=CCCCCC1 4c0498546d74402c1ac2d3026b0d1471 [1,0,0,1,0,0|2,0,0]=4 17099 B11R1.117 CCO[C@H]1/C=C/CCCCC1 35fa0159511dcaa848d796c12724494e [1,0,0,1,0,0|2,0,0]=4 17100 B11R1.117 CCO[C@H]1/C=C\CCCCC1 9faa883b1b12ae88d72c6724171fa26a [1,0,0,1,0,0|2,0,0]=4 17101 B11R1.117 O=CCN1CCCCCCC1 6fd1e0b32002f01aa833259ebd9f4b4e [1,0,0,1,0,0|1,0,0]=3 17102 B11R1.117 O=CNC1CCCCCCC1 5c70e5da68cf4293563a7a3630027bae [1,0,0,1,0,0|1,0,0]=3 17103 B11R1.117 OCCN1CCCCCCC1 8113da9194205273e686fb6bd2d23931 [1,0,0,1,0,0|1,0,1]=4 17104 B11R1.117 OCNC1CCCCCCC1 b3518fc0dbe59b5227ec4eb3c1d3682c [1,0,0,1,0,0|1,0,1]=4 17105 B11R1.180 C=CCCCN1CCCC1C 9238d53b05948840e8546683d46e6432 [1,0,0,1,0,0|2,0,0]=4 17106 B11R1.180 C=CCCCN1CCC[C@@H]1C 66f27d47e38e72e204f4ecd45c097e9b [1,0,0,1,0,0|2,0,0]=4 17107 B11R1.180 C=CCCCN1CCC[C@H]1C e19cc8c47129a6f4f0a6e093a258f1c0 [1,0,0,1,0,0|2,0,0]=4 17108 B11R1.180 C=CCCOC1CCCC1C 0d70c2f943ce9820a024fba2b72e1910 [1,0,0,1,0,0|2,0,0]=4 17109 B11R1.180 C=CCCO[C@@H]1CCC[C@@H]1C 7d100af6c87a4099f34d7451335fd2a5 [1,0,0,1,0,0|2,0,0]=4 17110 B11R1.180 C=CCCO[C@@H]1CCC[C@H]1C 94deb109e660d3acfcb56c81da5b56f0 [1,0,0,1,0,0|2,0,0]=4 17111 B11R1.180 C=CCCO[C@H]1CCC[C@@H]1C 4f323a660cc7761468f95cc789e90643 [1,0,0,1,0,0|2,0,0]=4 17112 B11R1.180 C=CCCO[C@H]1CCC[C@H]1C a6cfcf672303cbe6c14d6832875b0087 [1,0,0,1,0,0|2,0,0]=4 17113 B11R1.180 C=CCOCC1CCCC1C 86233c21c1380a5a3607c40dc5711bd4 [1,0,0,1,0,0|2,0,0]=4 17114 B11R1.180 CC1CCCC1COCC=O bd3c356cc6dc0292095d0420328c5f72 [1,0,0,1,0,0|1,0,0]=3 17115 B11R1.180 CC1CCCC1OCCC=O da85ffe665acc5ef29500c33b3dcb274 [1,0,0,1,0,0|1,0,0]=3 17116 B11R1.180 CC1CCCN1CCCC=O 91c33af55da6febd13caef2964a98b83 [1,0,0,1,0,0|1,0,0]=3 17117 B11R1.180 CC1CCCN1CCCCO a673de70102c9ce1017d52deb044963b [1,0,0,1,0,0|1,0,1]=4 17118 B11R1.180 CC1CCOC1COCC=O 3d37c27712a331992936dc7a2596c23d [1,0,0,1,0,0|2,0,0]=4 17119 B11R1.180 CC1COCC1COCC=O 04de5452df028ebfbd4fbee50d17e7b8 [1,0,0,1,0,0|2,0,0]=4 17120 B11R1.180 CC1COCC1OCCC=O 9f5f7312ca02590f301f54ce76cbadce [1,0,0,1,0,0|2,0,0]=4 17121 B11R1.180 CC1SCCN1CCCC=O 5803b9efa65cadd6e756d1c8aff90642 [1,0,0,1,0,0|2,0,0]=4 17122 B11R1.180 CCCCCN1CCCC1O c398c8293942e8b6d8331839eac42dcd [1,0,0,1,0,0|1,0,1]=4 17123 B11R1.180 CCCCNC1CCCC1=O 39f9ee5b59b883e97393975a970e10d4 [1,0,0,1,0,0|1,0,0]=3 17124 B11R1.180 CCCCNC1CCCC1O 246f31f8097c61c8292d23ee442adf29 [1,0,0,1,0,0|1,0,1]=4 17125 B11R1.180 CCCCNC1CCNC1=O 186446e8bc07c208cf0e9b58e44f01e8 [1,0,0,1,0,0|2,0,0]=4 17126 B11R1.180 CCCCNC1CCSC1=O 02e0fc8efcfe3b3711a069b87645d9fa [1,0,0,1,0,0|2,0,0]=4 17127 B11R1.180 CCCCN[C@@H]1CCC[C@@H]1O 8e8e24cd1c7e98f8ca1808e722a25c2b [1,0,0,1,0,0|1,0,1]=4 17128 B11R1.180 CCCCN[C@@H]1CCC[C@H]1O 702179409785dfcf937fe4220b12fea6 [1,0,0,1,0,0|1,0,1]=4 17129 B11R1.180 CCCCN[C@@H]1CCNC1=O 6e0f44241d58997cb1c6d0051eab8a32 [1,0,0,1,0,0|2,0,0]=4 17130 B11R1.180 CCCCN[C@@H]1CCOC1=O ed0730bf918a90319664293109727836 [1,0,0,1,0,0|2,0,0]=4 17131 B11R1.180 CCCCN[C@H]1CCC[C@@H]1O 6d73b740216fb5fde874206510ff282a [1,0,0,1,0,0|1,0,1]=4 17132 B11R1.180 CCCCN[C@H]1CCC[C@H]1O 2945bb9484d0a3e284def0f3103a9fff [1,0,0,1,0,0|1,0,1]=4 17133 B11R1.180 CCCCN[C@H]1CCNC1=O 66b10e76c34af5d0dab45f88e932d111 [1,0,0,1,0,0|2,0,0]=4 17134 B11R1.180 CCCCN[C@H]1CCOC1=O bc1ff4fc4b1cbd2b8e734ea1a24a3145 [1,0,0,1,0,0|2,0,0]=4 17135 B11R1.180 CCCCOC1CCCC1=O daa71a749c8ab0736df54ca1e1a12aa6 [1,0,0,1,0,0|1,0,0]=3 17136 B11R1.180 CCCCOC1CCNC1=O 7b231c5ea57dcbc2aa7adddae086cda9 [1,0,0,1,0,0|2,0,0]=4 17137 B11R1.180 CCCCOC1CCOC1=O 6b1a411a75446402594aca66d981812a [1,0,0,1,0,0|2,0,0]=4 17138 B11R1.180 CCCCO[C@@H]1CCNC1=O cb2fa50a05ea794d6edb8e207c80ecd5 [1,0,0,1,0,0|2,0,0]=4 17139 B11R1.180 CCCCO[C@@H]1CCOC1=O 7f089f9be002c56d4ed21d2753984a9f [1,0,0,1,0,0|2,0,0]=4 17140 B11R1.180 CCCCO[C@H]1CCNC1=O 8cbf41402c4456eeb8d0823b203c93b8 [1,0,0,1,0,0|2,0,0]=4 17141 B11R1.180 CCCCO[C@H]1CCOC1=O 3b100f447983d8c65cd8accc2947ac67 [1,0,0,1,0,0|2,0,0]=4 17142 B11R1.180 CCCNCC1CCCC1O 92cff7131ea3a21e6f1efd4706322900 [1,0,0,1,0,0|1,0,1]=4 17143 B11R1.180 CCCNCC1CCNC1=O 6f43743b2b4651249ecb698013e60338 [1,0,0,1,0,0|2,0,0]=4 17144 B11R1.180 CCCNCN1CCCC1=O 91887f1bd955350d83fb5cbd80ecb1f5 [1,0,0,1,0,0|2,0,0]=4 17145 B11R1.180 CCCOCC1CCCC1=O 38a6f11d54d34dd53e14f1182522173f [1,0,0,1,0,0|1,0,0]=3 17146 B11R1.180 CCCOCC1CCNC1=O a7890dcd6183c9752ec22ee8c72e0b2a [1,0,0,1,0,0|2,0,0]=4 17147 B11R1.180 CCCOCN1CCCC1=O f219657cc4d06050eaec73ad23ed676b [1,0,0,1,0,0|2,0,0]=4 17148 B11R1.180 CCNCCN1CCCC1=O 36a7b721f69f8b18b7bc5858c5b90e81 [1,0,0,1,0,0|2,0,0]=4 17149 B11R1.180 CCOCCC1CCNC1=O 691ba5da473129ccf331160f91db89fc [1,0,0,1,0,0|2,0,0]=4 17150 B11R1.180 CCOCCN1CCCC1=O eec83e50d5d1cf07c9841640aebd1ba4 [1,0,0,1,0,0|2,0,0]=4 17151 B11R1.180 CN1CCCC1CCNC=O 1eb646ce72bc64408e4ab386cb25fb0a [1,0,0,1,0,0|2,0,0]=4 17152 B11R1.180 CN1CCCC1CNCC=O d38eb909ba28a3ca3a99046655cc0541 [1,0,0,1,0,0|2,0,0]=4 17153 B11R1.180 CN1CCCC1COCC=O 42530204a1665507ae41f63af1592c6e [1,0,0,1,0,0|2,0,0]=4 17154 B11R1.180 CN1CCC[C@@H]1CCNC=O 21601fac22c22899ef9279e4ee71d5dd [1,0,0,1,0,0|2,0,0]=4 17155 B11R1.180 CN1CCC[C@@H]1CNCC=O 8b61456ac9851784b87158cf7bd3f867 [1,0,0,1,0,0|2,0,0]=4 17156 B11R1.180 CN1CCC[C@@H]1COCC=O e981be49377ab5f09c9ded89e2082bf5 [1,0,0,1,0,0|2,0,0]=4 17157 B11R1.180 CN1CCC[C@H]1CCNC=O 8961123ca41e20ef5ad93bc297b3e9a5 [1,0,0,1,0,0|2,0,0]=4 17158 B11R1.180 CN1CCC[C@H]1CNCC=O 1ada28389d25e3f9d8012b0f5714f316 [1,0,0,1,0,0|2,0,0]=4 17159 B11R1.180 CN1CCC[C@H]1COCC=O 19ddd288b2d04a18aa4ff721fd288450 [1,0,0,1,0,0|2,0,0]=4 17160 B11R1.180 COCCNC1CCCC1=O e3affe8a2fb4830ec43073ed366123f7 [1,0,0,1,0,0|2,0,0]=4 17161 B11R1.180 COCCOC1CCCC1=O 64d6773d3f7f907b500ddffb29b8e5c9 [1,0,0,1,0,0|2,0,0]=4 17162 B11R1.180 COCOCC1CCCC1=O 99747fc986fb155c7c97d45d40f3a523 [1,0,0,1,0,0|2,0,0]=4 17163 B11R1.180 CSCCNC1CCCC1=O 1a918986e443973b93dcff5ab8488238 [1,0,0,1,0,0|2,0,0]=4 17164 B11R1.180 CSCCOC1CCCC1=O 3cf11c06e2768f681e866c19a4bfc663 [1,0,0,1,0,0|2,0,0]=4 17165 B11R1.180 CSCOCC1CCCC1=O 283bbcbffcad0dc5983c554947b2b571 [1,0,0,1,0,0|2,0,0]=4 17166 B11R1.180 C[C@@H]1CCCN1CCCC=O d258c9a27ba02b857343fe021a4c4893 [1,0,0,1,0,0|1,0,0]=3 17167 B11R1.180 C[C@@H]1CCCN1CCCCO 52b2ae2b2f26360d62d1d124caf59cc6 [1,0,0,1,0,0|1,0,1]=4 17168 B11R1.180 C[C@@H]1CCC[C@@H]1OCCC=O b9178ef7fdad9c50d2cc0a7bf101ab36 [1,0,0,1,0,0|1,0,0]=3 17169 B11R1.180 C[C@@H]1CCC[C@H]1OCCC=O e7f245a0d11d37e9206a92a97b46b317 [1,0,0,1,0,0|1,0,0]=3 17170 B11R1.180 C[C@@H]1COC[C@@H]1OCCC=O bdd2e11069aa13dd8a025fe22f210d00 [1,0,0,1,0,0|2,0,0]=4 17171 B11R1.180 C[C@H]1CCCN1CCCC=O 6d7d8539d48f0bf8b3b01bd386b15dd4 [1,0,0,1,0,0|1,0,0]=3 17172 B11R1.180 C[C@H]1CCCN1CCCCO dec6a5199f71a07249a314463f71af58 [1,0,0,1,0,0|1,0,1]=4 17173 B11R1.180 C[C@H]1CCC[C@@H]1OCCC=O 261b2ebae7ca05b2be5b90a31e2d1d69 [1,0,0,1,0,0|1,0,0]=3 17174 B11R1.180 C[C@H]1CCC[C@H]1OCCC=O a2baa8a9158229af7837da5f4be19e50 [1,0,0,1,0,0|1,0,0]=3 17175 B11R1.180 C[C@H]1COC[C@@H]1OCCC=O b56bb01d391843dcded991ea9d2ea23a [1,0,0,1,0,0|2,0,0]=4 17176 B11R1.180 C[C@H]1COC[C@H]1OCCC=O 8f6313cb31d4c770cc808b02bc2e1a16 [1,0,0,1,0,0|2,0,0]=4 17177 B11R1.180 C[C@H]1OCC[C@H]1COCC=O 206deb8f98c158bf8aad036e00eead91 [1,0,0,1,0,0|2,0,0]=4 17178 B11R1.180 O=C1CCCC1COCCF 83d5df4865750a49009feacdd6fce70e [1,0,0,1,0,0|2,0,0]=4 17179 B11R1.180 O=C1CCCC1COCCS ce0277165bc2576a887b2890f98c1bf3 [1,0,0,1,0,0|2,0,0]=4 17180 B11R1.180 O=C1CCCC1NCCCCl 0d7b77a3647043b5308b9e03b03208f4 [1,0,0,1,0,0|2,0,0]=4 17181 B11R1.180 O=C1CCCC1NCCCO 8deb1c83ab53c1e6f1beb704839da63c [1,0,0,1,0,0|2,0,0]=4 17182 B11R1.180 O=C1CCCC1OCCCF 0cb91a01e38d73789f9e0851f5649a66 [1,0,0,1,0,0|2,0,0]=4 17183 B11R1.180 O=C1CCCC1OCCCS 5063541bc88a8e8fb7070e9c4a3cf1f4 [1,0,0,1,0,0|2,0,0]=4 17184 B11R1.180 O=CCCCN1CCCC1O 41bb88c7e1a7adf474044432671f2b9e [1,0,0,1,0,0|2,0,0]=4 17185 B11R1.180 O=CCCNC1CCCC1O a9580a0bb3147066abf51b8fc722b0ee [1,0,0,1,0,0|2,0,0]=4 17186 B11R1.180 O=CCCN[C@@H]1CCC[C@@H]1O 0949b3acb7cabe0b4865c02000bfbbae [1,0,0,1,0,0|2,0,0]=4 17187 B11R1.180 O=CCCN[C@@H]1CCC[C@H]1O e1346bc08e4b03059297055792a84187 [1,0,0,1,0,0|2,0,0]=4 17188 B11R1.180 O=CCCN[C@H]1CCC[C@@H]1O 5534e5ceb76577acbfaeee0539a06435 [1,0,0,1,0,0|2,0,0]=4 17189 B11R1.180 O=CCCN[C@H]1CCC[C@H]1O c76fe3572fea0e17e3cfae5b420b6a72 [1,0,0,1,0,0|2,0,0]=4 17190 B11R1.180 O=CCCO[C@@H]1CCC[C@H]1F fd13a1bf373e27545b34adfa0c8971a7 [1,0,0,1,0,0|2,0,0]=4 17191 B11R1.180 O=CCNCC1CCCC1O efbd87c118663ca7648a6c6fc5111d2c [1,0,0,1,0,0|2,0,0]=4 17192 B11R1.180 O=CCOC[C@@H]1CCC[C@H]1F d0763b9643128790852d6d7ff16a3e8b [1,0,0,1,0,0|2,0,0]=4 17193 B11R1.181 C=CCCCN1CCC1CC b20854ca9e4869823a142b215fefcc3f [1,0,0,1,0,0|2,0,0]=4 17194 B11R1.181 CCC1CCN1CCCC=O aaffcec3418467ce8ae9c27e554405cd [1,0,0,1,0,0|1,0,0]=3 17195 B11R1.181 CCC1CCN1CCCCO 6dcefaab7839eafb56d4489f1ad59479 [1,0,0,1,0,0|1,0,1]=4 17196 B11R1.181 CCCCCN1CCC1CO 6df1327feaf83954da6b9a067cabb546 [1,0,0,1,0,0|1,0,1]=4 17197 B11R1.181 CCCCCN1CC[C@@H]1CO ea98adfd739b3f69e4fd108b2760c455 [1,0,0,1,0,0|1,0,1]=4 17198 B11R1.181 CCCCCN1CC[C@H]1CO 762996ba67c76ae98634a15c6d26763b [1,0,0,1,0,0|1,0,1]=4 17199 B11R1.181 COC1CCC1COCC=O 75efb1c998a9b8d063751457a62663a5 [1,0,0,1,0,0|2,0,0]=4 17200 B11R1.181 COC1CCC1NCCC=O ee2cf0a9fadf008d9db44898ff578954 [1,0,0,1,0,0|2,0,0]=4 17201 B11R1.181 CO[C@@H]1CC[C@@H]1COCC=O 8ad934e0599a36b28d3a6136e5388c07 [1,0,0,1,0,0|2,0,0]=4 17202 B11R1.181 CO[C@@H]1CC[C@@H]1NCCC=O 69b1414afcc238b3ea4547df04d42820 [1,0,0,1,0,0|2,0,0]=4 17203 B11R1.181 CO[C@@H]1CC[C@H]1COCC=O 8d495aee3461d9a889aab83e14fc40ef [1,0,0,1,0,0|2,0,0]=4 17204 B11R1.181 CO[C@@H]1CC[C@H]1NCCC=O e5b247742a128f2b0a55fe9be2169cdf [1,0,0,1,0,0|2,0,0]=4 17205 B11R1.181 CO[C@H]1CC[C@@H]1NCCC=O e739ff790889bd0d4cad3275d902623b [1,0,0,1,0,0|2,0,0]=4 17206 B11R1.181 CO[C@H]1CC[C@H]1NCCC=O d062c9738d33c907bcdb60ec06170884 [1,0,0,1,0,0|2,0,0]=4 17207 B11R1.181 O=CCCCN1CCC1CO 926eb422b2336684061f8797237fe408 [1,0,0,1,0,0|2,0,0]=4 17208 B11R1.181 O=CCCCN1CC[C@@H]1CO ee1442659402fd50de7a6494b887aef1 [1,0,0,1,0,0|2,0,0]=4 17209 B11R1.181 O=CCCCN1CC[C@H]1CO 7c793710bf4b150157ec9cb8275ddb48 [1,0,0,1,0,0|2,0,0]=4 17210 B11R1.190 C=CCCCN[C@@H]1CC[C@H]1C 77570717ad4fe8da339d188a3ec0239e [1,0,0,1,0,0|2,0,0]=4 17211 B11R1.190 C=CCCCN[C@H]1CC[C@H]1C 027308206c7243f841e075801b523557 [1,0,0,1,0,0|2,0,0]=4 17212 B11R1.190 CC1OCC1NCCCC=O 072ee345ec40d9c0247b2632285beba6 [1,0,0,1,0,0|2,0,0]=4 17213 B11R1.190 CC1OCC1OCCCC=O 7b87b5c90ad93ab46ae3a6adad34daa9 [1,0,0,1,0,0|2,0,0]=4 17214 B11R1.190 CCCCCNC1CCC1O 410aa34364c82b055bc5985073043c05 [1,0,0,1,0,0|1,0,1]=4 17215 B11R1.190 CCCCCN[C@@H]1CC[C@@H]1O 3bfddf88d98d6ab4994d6784c3fd6517 [1,0,0,1,0,0|1,0,1]=4 17216 B11R1.190 CCCCCN[C@@H]1CC[C@H]1O 34c028bce85047ac0c4cc16404f41087 [1,0,0,1,0,0|1,0,1]=4 17217 B11R1.190 CCCCCN[C@H]1CC[C@@H]1O 5ea4d0eba39dbdbad00d06d8e47d31a3 [1,0,0,1,0,0|1,0,1]=4 17218 B11R1.190 CCCCCN[C@H]1CC[C@H]1O cba60cfc8498948982fdaefc9b5ecaf9 [1,0,0,1,0,0|1,0,1]=4 17219 B11R1.190 CCCCCN[C@H]1CNC1=O eb9f6d8bd01cb4cde117b126b8643934 [1,0,0,1,0,0|2,0,0]=4 17220 B11R1.190 CCCCCOC1CCC1=O 355911051df85b56020429c0f95056f7 [1,0,0,1,0,0|1,0,0]=3 17221 B11R1.190 CCCCNCC1COC1=O 0b8a3a6c048670a7486ff35a95e20c46 [1,0,0,1,0,0|2,0,0]=4 17222 B11R1.190 CCCCOCC1CCC1=O f257a7edcf4781b415caf68b4efc97ae [1,0,0,1,0,0|1,0,0]=3 17223 B11R1.190 CCCCOCC1COC1=O c6bd5bc4efe8fe9efa0449e654721e6c [1,0,0,1,0,0|2,0,0]=4 17224 B11R1.190 CCCNCCC1CCC1=O 0df107ac77dd6110f0f6944cef3eb9cb [1,0,0,1,0,0|1,0,0]=3 17225 B11R1.190 CCCOCCC1CCC1=O 3983d0cb93d7fc373cd10be3938cd7ef [1,0,0,1,0,0|1,0,0]=3 17226 B11R1.190 CCOCCOC1CCC1=O 9136854ec08833177fa127fa4aa2a799 [1,0,0,1,0,0|2,0,0]=4 17227 B11R1.190 CCOCOCC1CCC1=O f53c8460eb6b25ff1818c8c816e0c07f [1,0,0,1,0,0|2,0,0]=4 17228 B11R1.190 CN1CCC1CNCCC=O e6cbc4c8854c7280d59490f408e2a56b [1,0,0,1,0,0|2,0,0]=4 17229 B11R1.190 CN1CCC1COCCC=O 2fa61bca1ca0aa3e3ef0e55df66e7183 [1,0,0,1,0,0|2,0,0]=4 17230 B11R1.190 CN1CC[C@@H]1COCCC=O 7492f97b2e7e355214b2052b325cfb04 [1,0,0,1,0,0|2,0,0]=4 17231 B11R1.190 CN1CC[C@H]1COCCC=O 6542849314f99f1fdeccbaa426973761 [1,0,0,1,0,0|2,0,0]=4 17232 B11R1.190 COCCCOC1CCC1=O b683bbdc6207d6816a13aff8dd0133aa [1,0,0,1,0,0|2,0,0]=4 17233 B11R1.190 COCCOCC1CCC1=O 83ef431e03edb21df4a38571be327942 [1,0,0,1,0,0|2,0,0]=4 17234 B11R1.190 COCOCCC1CCC1=O 1b902c3135b01ed7c14160c6514c9e7d [1,0,0,1,0,0|2,0,0]=4 17235 B11R1.190 CSCCCNC1CCC1=O a752755164ab41772d394e6fe454855d [1,0,0,1,0,0|2,0,0]=4 17236 B11R1.190 CSCCCOC1CCC1=O 9895e7ca2b94a791cf25fad52d0b8ae5 [1,0,0,1,0,0|2,0,0]=4 17237 B11R1.190 CSCCOCC1CCC1=O 57c90a796cdf01bd09e2c3128549fb8e [1,0,0,1,0,0|2,0,0]=4 17238 B11R1.190 CSCOCCC1CCC1=O cd1ac41154f135523f059991ea45fe2f [1,0,0,1,0,0|2,0,0]=4 17239 B11R1.190 C[C@@H]1CC[C@@H]1NCCCC=O c00f04897dfa6b9e414cff55ce91c97e [1,0,0,1,0,0|1,0,0]=3 17240 B11R1.190 C[C@@H]1CC[C@@H]1NCCCCO c2c4c81afcf85f006543b04a37b79bd9 [1,0,0,1,0,0|1,0,1]=4 17241 B11R1.190 C[C@@H]1CC[C@H]1NCCCC=O 31d6637fdbd24ed6678ad0bb37f0d9bd [1,0,0,1,0,0|1,0,0]=3 17242 B11R1.190 C[C@@H]1CC[C@H]1NCCCCO a770862bc7b5c32bf6b9dd31ff6f528b [1,0,0,1,0,0|1,0,1]=4 17243 B11R1.190 O=C1CCC1CCNCCBr 5e565a732115d6aa0a2c0477c532c8da [1,0,0,1,0,0|2,0,0]=4 17244 B11R1.190 O=C1CCC1CCNCCF 7be9c3041a82e074b588945af86f0bc9 [1,0,0,1,0,0|2,0,0]=4 17245 B11R1.190 O=C1CCC1CCNCCI 666a782bf8913fd995d8c4c6babfaaed [1,0,0,1,0,0|2,0,0]=4 17246 B11R1.190 O=C1CCC1CCNCCO 701f1a99110aea4553209584f7ebc192 [1,0,0,1,0,0|2,0,0]=4 17247 B11R1.190 O=C1CCC1CCNCCS e6a5da2c89821c6db4117250b69c19f5 [1,0,0,1,0,0|2,0,0]=4 17248 B11R1.190 O=C1CCC1CCOCCF d784d851219d3287289c76aa3e37ac18 [1,0,0,1,0,0|2,0,0]=4 17249 B11R1.190 O=C1CCC1CCOCCS ad78671cf8811410842220d360daa455 [1,0,0,1,0,0|2,0,0]=4 17250 B11R1.190 O=C1CCC1COCCCF 86d707a4f69a58fa0a1332d40241c258 [1,0,0,1,0,0|2,0,0]=4 17251 B11R1.190 O=C1CCC1COCCCS e09c87926fde94388c5c8785bd8427b8 [1,0,0,1,0,0|2,0,0]=4 17252 B11R1.190 O=C1CCC1NCCCCO 3d21debe0f6f5c5df86c29558df3d840 [1,0,0,1,0,0|2,0,0]=4 17253 B11R1.190 O=C1CCC1OCCCCF eb69f1bbded7f33690ff8622792f1a92 [1,0,0,1,0,0|2,0,0]=4 17254 B11R1.190 O=CCCCNC1CCC1F ffd670a0f171bc9edefdd4ec099ef54b [1,0,0,1,0,0|2,0,0]=4 17255 B11R1.190 O=CCCCNC1CCC1O 36c51907525c980f4cc541e584debea9 [1,0,0,1,0,0|2,0,0]=4 17256 B11R1.190 O=CCCCN[C@@H]1CC[C@@H]1O c9be66ddda1e336a3ba57fcb02df3e6f [1,0,0,1,0,0|2,0,0]=4 17257 B11R1.190 O=CCCCN[C@@H]1CC[C@H]1O 37db919a71f7c565f1c0332eeb243849 [1,0,0,1,0,0|2,0,0]=4 17258 B11R1.190 O=CCCCN[C@H]1CC[C@@H]1O a84ab4dc46a714ef1db98b0cedb5542b [1,0,0,1,0,0|2,0,0]=4 17259 B11R1.190 O=CCCCN[C@H]1CC[C@H]1O 65bbd0c44146d3c0f701d752accb60e1 [1,0,0,1,0,0|2,0,0]=4 17260 B11R1.190 O=CCCOCC1CCC1F 2c9f9d438e2f852b5096fa4ca79faa83 [1,0,0,1,0,0|2,0,0]=4 17261 B11R1.203 C=CCCN1CCCCCC1 eb2e9f8ff933d84afc9e9e7bdb27e526 [1,0,0,1,0,0|2,0,0]=4 17262 B11R1.203 C=CCNC1CCCCCC1 835b77ea2f05d1db508b48e058218dd9 [1,0,0,1,0,0|2,0,0]=4 17263 B11R1.203 C=CCOC1CCCCCC1 ca0d4f6ae71f9bd82e371d166ad276fd [1,0,0,1,0,0|2,0,0]=4 17264 B11R1.203 O/C=C\CN1CCCCCC1 65e5d9a6ee93480c1dc960e79cb08e59 [1,0,0,1,0,0|1,0,1]=4 17265 B11R1.203 O=CCCN1CCCCCC1 17784adde57d54451972fe0abbcf77b2 [1,0,0,1,0,0|1,0,0]=3 17266 B11R1.203 O=CCCN1CCCOCC1 16d14934f47760e6972ab602b1b06649 [1,0,0,1,0,0|2,0,0]=4 17267 B11R1.203 O=CCNC1CCCCCC1 24eb6ac1a8dc2aac972722589a5f9050 [1,0,0,1,0,0|1,0,0]=3 17268 B11R1.203 O=CCNC1CCCOCC1 03ce52f15f32e381f6e463780268eddc [1,0,0,1,0,0|2,0,0]=4 17269 B11R1.203 O=CCOC1CCCCCC1 90420dad8ba0ca85278761550a74b58d [1,0,0,1,0,0|1,0,0]=3 17270 B11R1.203 O=CCOC1CCCOCC1 8e3db2c046c240e38c6f08efcab52a47 [1,0,0,1,0,0|2,0,0]=4 17271 B11R1.203 O=CNCC1CCCCCC1 d98c7cfb82f8e40dc854108c9b87d8cb [1,0,0,1,0,0|1,0,0]=3 17272 B11R1.203 OCCCN1CCCCCC1 7f2d557aa733fe77dff5c07ecf424d3d [1,0,0,1,0,0|1,0,1]=4 17273 B11R1.203 OCCNC1CCCCCC1 c34d7831eecf639a92fdf0e477751492 [1,0,0,1,0,0|1,0,1]=4 17274 B11R1.203 OCNCC1CCCCCC1 e9833a8d1bf4aa3da84560a76f5e3a41 [1,0,0,1,0,0|1,0,1]=4 17275 B11R1.229 CCCCCNC1CC1C=O 3b450e1bf12fe7c5972efd7cdb904ff6 [1,0,0,1,0,0|1,0,0]=3 17276 B11R1.229 CCCCCN[C@@H]1C[C@H]1CO 8b78761299fc677978c31200332d44e4 [1,0,0,1,0,0|1,0,1]=4 17277 B11R1.229 CCCCCN[C@H]1C[C@@H]1CO ad2e5841e2feda90ba186db0742959c3 [1,0,0,1,0,0|1,0,1]=4 17278 B11R1.229 CCCCCN[C@H]1C[C@H]1CO 966bfeaedb6c59f4f814c88b606b70dc [1,0,0,1,0,0|1,0,1]=4 17279 B11R1.229 CCCCCOC1CC1C=O b0e237a9782aca920d34e73b99f4e76f [1,0,0,1,0,0|1,0,0]=3 17280 B11R1.229 CCCCNCC1CC1CO a1a4d242388b6021686f25289a5a519b [1,0,0,1,0,0|1,0,1]=4 17281 B11R1.229 CCOCCNC1CC1C=O f4826c25fa6a25b6cf06f391ec347e15 [1,0,0,1,0,0|2,0,0]=4 17282 B11R1.229 CCOCCOC1CC1C=O ca5ba67898adb8d530e8f6733709f269 [1,0,0,1,0,0|2,0,0]=4 17283 B11R1.229 CCSCCNC1CC1C=O 1818d6417ddeec1af071aa1e520759ff [1,0,0,1,0,0|2,0,0]=4 17284 B11R1.229 CCSCCOC1CC1C=O e38332447b98478b5be97c6e4e0b3925 [1,0,0,1,0,0|2,0,0]=4 17285 B11R1.229 COCCCNC1CC1C=O 9f7251bfd30d5c1a313b5427be80ad1d [1,0,0,1,0,0|2,0,0]=4 17286 B11R1.229 COCCCOC1CC1C=O 0d1b4af85ee7867c413ccf89d9142d87 [1,0,0,1,0,0|2,0,0]=4 17287 B11R1.229 CO[C@H]1C[C@H]1NCCCC=O 804dea597d3a5fec36444c0d510ca255 [1,0,0,1,0,0|2,0,0]=4 17288 B11R1.229 CSCCCNC1CC1C=O 72c0bf9bfec014b78042a55ec69c4f75 [1,0,0,1,0,0|2,0,0]=4 17289 B11R1.229 CSCCCOC1CC1C=O 72ed5303c2aa3b7a20396a53dca3b19a [1,0,0,1,0,0|2,0,0]=4 17290 B11R1.229 O=CC1CC1NCCCCCl e87819d346022ef71f40a3e46ece0489 [1,0,0,1,0,0|2,0,0]=4 17291 B11R1.229 O=CC1CC1NCCCCO 9bf65d7576f829bf1e97ea7f8d8fe056 [1,0,0,1,0,0|2,0,0]=4 17292 B11R1.229 O=CC1CC1NCCCCS 492030dafcfaaefcf68d794b975f8603 [1,0,0,1,0,0|2,0,0]=4 17293 B11R1.229 O=CC1CC1OCCCCF cc161ab6bf238ede4f63c00e24569b9c [1,0,0,1,0,0|2,0,0]=4 17294 B11R1.229 O=CC1CC1OCCCCS 61ee5491a5fa654957a224d4efb819ef [1,0,0,1,0,0|2,0,0]=4 17295 B11R1.229 O=CCCCN[C@@H]1C[C@H]1CO 476dbc2dcf99b7dc5835f1184c7d44b3 [1,0,0,1,0,0|2,0,0]=4 17296 B11R1.229 O=CCCCN[C@H]1C[C@@H]1CO f523b77bd79a4bd25bb010b1894715d5 [1,0,0,1,0,0|2,0,0]=4 17297 B11R1.229 O=CCCCN[C@H]1C[C@H]1CO 23ca937fc5dccd373913abbbb1e5daf6 [1,0,0,1,0,0|2,0,0]=4 17298 B11R1.229 O=CCCNCC1CC1CO c0f2ca7841bf6a3a4f0498d5a9249e5f [1,0,0,1,0,0|2,0,0]=4 17299 B11R1.232 CCCCN1CCC1CCO cf9681096b6146bae176348e6db94d0e [1,0,0,1,0,0|1,0,1]=4 17300 B11R1.232 COCC1CCN1CCC=O 70bcf3d9cf0c7fd9ce3ea2a7d60077dc [1,0,0,1,0,0|2,0,0]=4 17301 B11R1.232 COC[C@@H]1CCN1CCC=O 7033e11b520647ede4a541f49429cc87 [1,0,0,1,0,0|2,0,0]=4 17302 B11R1.232 COC[C@H]1CCN1CCC=O 50cd9e887d660e0d7346de33e3549b96 [1,0,0,1,0,0|2,0,0]=4 17303 B11R1.232 O=CCCN1CCC1CCO 46722f95cd5fed14a3a72e0529c223f9 [1,0,0,1,0,0|2,0,0]=4 17304 B11R1.248 O=CN1CCCCCCCC1 aa5653438fc641ddd8a731b0fd752d2f [1,0,0,1,0,0|1,0,0]=3 17305 B11R1.248 OCN1CCCCCCCC1 34093a305ba2dc113fc49a0d96d53af5 [1,0,0,1,0,0|1,0,1]=4 17306 B13R1.27 C#CCCCNCC1CCC(=O)O1 17c1c4d3130d0d4b7bc77a6e9d36257b [0,1,0,1,0,0|0,0,2]=4 17307 B13R1.27 C#CCCCOCC1CCC(=O)O1 1efd9ef18e47f730ac6860b1e3800bc7 [0,1,0,1,0,0|0,0,2]=4 17308 B13R1.27 C#CCCCOC[C@@H]1CCC(=O)O1 8c45c7e793a20af1072c7aebe9f4e7fe [0,1,0,1,0,0|0,0,2]=4 17309 B13R1.27 C#CCCCOC[C@H]1CCC(=O)O1 d657282345d1867c32bc5741eed10851 [0,1,0,1,0,0|0,0,2]=4 17310 B13R1.27 C/C=C/CCOCC1CCC(=O)O1 0713d7f56e55c6792f1bb4507347e532 [0,1,0,1,0,0|0,0,2]=4 17311 B13R1.27 C=CCCCNCC1CCC(=O)O1 57cfbcc4979fa1f6f684d2c6ef2835bd [0,1,0,1,0,0|0,0,2]=4 17312 B13R1.27 C=CCCCOCC1CCC(=O)O1 15cc3854d0f71778ce2597f349aafa06 [0,1,0,1,0,0|0,0,2]=4 17313 B13R1.27 C=CCCCOC[C@@H]1CCC(=O)O1 642ddae08f39d3b56c4547e5b2bbcfcb [0,1,0,1,0,0|0,0,2]=4 17314 B13R1.27 C=CCCCOC[C@H]1CCC(=O)O1 6536fe94a0ac6a9bcd80ccb6aa888e82 [0,1,0,1,0,0|0,0,2]=4 17315 B13R1.27 CC#CCCOCC1CCC(=O)O1 5f7ed1d8afbe0c8cc40a55f98deb1b06 [0,1,0,1,0,0|0,0,2]=4 17316 B13R1.27 CC/C=C/COCC1CCC(=O)O1 f8205e75f1f8d55354ac6df3e0c8870b [0,1,0,1,0,0|0,0,2]=4 17317 B13R1.27 CC/C=C/COC[C@@H]1CCC(=O)O1 3b6eb40c0804185ffdc8e1149277c38a [0,1,0,1,0,0|0,0,2]=4 17318 B13R1.27 CC/C=C/COC[C@H]1CCC(=O)O1 8301ff12255d4b3215c98ce154791759 [0,1,0,1,0,0|0,0,2]=4 17319 B13R1.27 CC/C=C\COCC1CCC(=O)O1 97aa6d2e8710dad148273a1200ff24c1 [0,1,0,1,0,0|0,0,2]=4 17320 B13R1.27 CCCCCCCN1CCC(C1)O 69d0c584e2a2c842036624324286a492 [0,1,0,1,0,0|1,0,1]=4 17321 B13R1.27 CCCCCCCN1CC[C@@H](C1)O 241db1d093ced7c549e2f8a92189af56 [0,1,0,1,0,0|1,0,1]=4 17322 B13R1.27 CCCCCCCN1CC[C@H](C1)O e6ff74374df58f199ea4b36a71ca459a [0,1,0,1,0,0|1,0,1]=4 17323 B13R1.27 CCCCCCCN1CNC(=O)C1 740743e8a941a3436a59cdaf1c72eb3c [0,1,0,1,0,0|2,0,0]=4 17324 B13R1.27 CCCCCCNC1CCC(C1)O 5fcc573d7b5ee850f312b76ab5c7f11b [0,1,0,1,0,0|1,0,1]=4 17325 B13R1.27 CCCCCCNC1CNC(=O)C1 5ec83adee2c434d889c35423e8eee81b [0,1,0,1,0,0|2,0,0]=4 17326 B13R1.27 CCCCCCN[C@@H]1CC[C@@H](C1)O a8b75706e75cfc3124fdd2dae32ca618 [0,1,0,1,0,0|1,0,1]=4 17327 B13R1.27 CCCCCCN[C@@H]1CC[C@H](C1)O 91c1095878a98bf9d87474180a2119a5 [0,1,0,1,0,0|1,0,1]=4 17328 B13R1.27 CCCCCCN[C@@H]1CNC(=O)C1 c9a4bc80a1e102fbe297464f86973c6b [0,1,0,1,0,0|2,0,0]=4 17329 B13R1.27 CCCCCCN[C@H]1CC[C@@H](C1)O fc8cc71d50480e76b1e910b2c24791e5 [0,1,0,1,0,0|1,0,1]=4 17330 B13R1.27 CCCCCCN[C@H]1CC[C@H](C1)O e3e2ba535f6442748f0bd5841408e20f [0,1,0,1,0,0|1,0,1]=4 17331 B13R1.27 CCCCCCN[C@H]1CNC(=O)C1 14896866367415754475480b154abf7e [0,1,0,1,0,0|2,0,0]=4 17332 B13R1.27 CCCCCCOC1=COC(=O)C1 90214a016d0ecda88a0883210f13b662 [0,1,0,1,0,0|1,0,1]=4 17333 B13R1.27 CCCCCCOC1C=CC(=O)C1 73f36604507ac5532a5e41b8b03585ea [0,1,0,1,0,0|2,0,0]=4 17334 B13R1.27 CCCCCCOC1C=CC(=O)O1 4c75861667e49d221eb42d7b40191daf [0,1,0,1,0,0|0,0,2]=4 17335 B13R1.27 CCCCCCOC1CCC(=O)C1 973ed80f1e658044f6fdd0fe18ff4167 [0,1,0,1,0,0|1,0,0]=3 17336 B13R1.27 CCCCCCOC1CNC(=O)C1 131d2fb3d2e7684d853bf6db34be6066 [0,1,0,1,0,0|2,0,0]=4 17337 B13R1.27 CCCCCCOC1COC(=O)C1 28f001e17e026a8f26cb22776dca6850 [0,1,0,1,0,0|1,0,0]=3 17338 B13R1.27 CCCCCCO[C@@H]1CNC(=O)C1 486b743631b218b79bccf350c7a2e533 [0,1,0,1,0,0|2,0,0]=4 17339 B13R1.27 CCCCCCO[C@@H]1COC(=O)C1 ef02ca3377c2ce6110235c6ba2ad32c2 [0,1,0,1,0,0|1,0,0]=3 17340 B13R1.27 CCCCCCO[C@H]1C=CC(=O)C1 54983af92627b1e78d9f5c3d20418814 [0,1,0,1,0,0|2,0,0]=4 17341 B13R1.27 CCCCCCO[C@H]1CNC(=O)C1 259a82ddabded21d58342ad6d37d7ee4 [0,1,0,1,0,0|2,0,0]=4 17342 B13R1.27 CCCCCCO[C@H]1COC(=O)C1 67a4c35050b2f4e5b32ede0ab001b277 [0,1,0,1,0,0|1,0,0]=3 17343 B13R1.27 CCCCCNCC1CCC(=O)N1 1119cac97975ac628fca7143bab36c1c [0,1,0,1,0,0|1,0,0]=3 17344 B13R1.27 CCCCCNCC1CCC(=O)O1 1bd93f68b1f9743b2bf4002027fa6a5a [0,1,0,1,0,0|0,0,0]=2 17345 B13R1.27 CCCCCNCC1CCC(C1)O 21bf6b555ea5cbef025b1f844438644b [0,1,0,1,0,0|1,0,1]=4 17346 B13R1.27 CCCCCNCC1CNC(=O)C1 e847615367089a61f9522b9180274993 [0,1,0,1,0,0|2,0,0]=4 17347 B13R1.27 CCCCCNC[C@@H]1CCC(=O)N1 cb4c12d978932b06deb9aa57ccd3d6dd [0,1,0,1,0,0|1,0,0]=3 17348 B13R1.27 CCCCCNC[C@@H]1CNC(=O)C1 9047f67d6882e56078623a24f507dc82 [0,1,0,1,0,0|2,0,0]=4 17349 B13R1.27 CCCCCNC[C@H]1CCC(=O)N1 022a1beaf0687ddb1c973eb9fe742efc [0,1,0,1,0,0|1,0,0]=3 17350 B13R1.27 CCCCCOCC1C=CC(=O)O1 bc0ecd4edbc62d2bfb0d92069e2120c7 [0,1,0,1,0,0|0,0,2]=4 17351 B13R1.27 CCCCCOCC1CCC(=O)C1 4104c71e5529edd10a3f62acc1d201bf [0,1,0,1,0,0|1,0,0]=3 17352 B13R1.27 CCCCCOCC1CCC(=O)N1 c7ce0c8273dffbaefbb2528d78350963 [0,1,0,1,0,0|1,0,0]=3 17353 B13R1.27 CCCCCOCC1CCC(=O)O1 0b603596968b44265afd9159ebdba1d2 [0,1,0,1,0,0|0,0,0]=2 17354 B13R1.27 CCCCCOCC1CCC(O1)C f09d38d0dd6f9caec5df2dff6982fbbe [0,1,0,1,0,0|1,0,1]=4 17355 B13R1.27 CCCCCOCC1CNC(=O)C1 64f3e07a4e573b5de7460a723225ef06 [0,1,0,1,0,0|2,0,0]=4 17356 B13R1.27 CCCCCOCC1CNC(=O)N1 c95ca35c9f122a650944930c469184a6 [0,1,0,1,0,0|2,0,0]=4 17357 B13R1.27 CCCCCOCC1COC(=O)C1 aac64858da10e92c4edc85963383dca6 [0,1,0,1,0,0|1,0,0]=3 17358 B13R1.27 CCCCCOC[C@@H]1C=CC(=O)O1 04c6ca34b2c17a52859ab98a19aae8ad [0,1,0,1,0,0|0,0,2]=4 17359 B13R1.27 CCCCCOC[C@@H]1CCC(=O)C1 1a50c974985fb0289e104403a6c638db [0,1,0,1,0,0|1,0,0]=3 17360 B13R1.27 CCCCCOC[C@@H]1CCC(=O)N1 f38de4225d353548e377f0c05e85ab4e [0,1,0,1,0,0|1,0,0]=3 17361 B13R1.27 CCCCCOC[C@@H]1CCC(=O)O1 05884102ded19f27327e7933b0d928a4 [0,1,0,1,0,0|0,0,0]=2 17362 B13R1.27 CCCCCOC[C@@H]1CC[C@@H](O1)C fc15f0af8f55550dd653feb5532ac8df [0,1,0,1,0,0|1,0,1]=4 17363 B13R1.27 CCCCCOC[C@@H]1CNC(=O)C1 3c6ff5d7f43f2d6a61cea352236068e1 [0,1,0,1,0,0|2,0,0]=4 17364 B13R1.27 CCCCCOC[C@H]1CCC(=O)N1 40113ebe6e81b79318c802d94d389ee5 [0,1,0,1,0,0|1,0,0]=3 17365 B13R1.27 CCCCCOC[C@H]1CCC(=O)O1 965c62a7dad55bd34d69655b2db58a96 [0,1,0,1,0,0|0,0,0]=2 17366 B13R1.27 CCCCCOC[C@H]1CNC(=O)C1 92f673f544ca1773d9567ec85a377df8 [0,1,0,1,0,0|2,0,0]=4 17367 B13R1.27 CCCCNCCC1COS(=O)O1 7334dda195cd82948ead90f9bd2e8d0e [0,1,0,1,0,0|2,0,0]=4 17368 B13R1.27 CCCCOCCC1COS(=O)O1 a1f460ada80e6af00f158a9c32dc6f29 [0,1,0,1,0,0|2,0,0]=4 17369 B13R1.27 CCCCOCC[C@@H]1CCC(=O)N1 b117d3f35bded060a0fd7aef2a54a09b [0,1,0,1,0,0|1,0,0]=3 17370 B13R1.27 CCCCOCOC1COC(=O)C1 f96049fb141778e7c44d22ae62c22b01 [0,1,0,1,0,0|2,0,0]=4 17371 B13R1.27 CCCCOCO[C@@H]1COC(=O)C1 9705700829421f3f890daa0b36497b7b [0,1,0,1,0,0|2,0,0]=4 17372 B13R1.27 CCCCOCO[C@H]1COC(=O)C1 27a1c23306b3dbad8ca3168da04d6a8d [0,1,0,1,0,0|2,0,0]=4 17373 B13R1.27 CCCOCCOC1CCC(=O)C1 c537582b9b00e830d3bb752a8052f64a [0,1,0,1,0,0|2,0,0]=4 17374 B13R1.27 CCCOCCOC1COC(=O)C1 aa3349c4ec26dd12dd22c4c6a4d30380 [0,1,0,1,0,0|2,0,0]=4 17375 B13R1.27 CCCOCCO[C@@H]1COC(=O)C1 8dacf346b93887cc8bd9fca5564e5a92 [0,1,0,1,0,0|2,0,0]=4 17376 B13R1.27 CCCOCCO[C@H]1COC(=O)C1 9b04f1b92aba7490a4807de7be834c26 [0,1,0,1,0,0|2,0,0]=4 17377 B13R1.27 CCOCCCOC1COC(=O)C1 4b36b48b724b4327aa3af3900a518382 [0,1,0,1,0,0|2,0,0]=4 17378 B13R1.27 CCOCCCO[C@@H]1COC(=O)C1 4cb273a7a9c0e2c59bb7fe5e7d0b7d34 [0,1,0,1,0,0|2,0,0]=4 17379 B13R1.27 CCOCCCO[C@H]1COC(=O)C1 400afd00dfafc9f6a16be967d9089395 [0,1,0,1,0,0|2,0,0]=4 17380 B13R1.27 CCOCCNCC1CCC(=O)N1 f8174340f17fb2fb5f826046875e8169 [0,1,0,1,0,0|2,0,0]=4 17381 B13R1.27 CCOCCNCC1CCC(=O)O1 45b18a7bae57f4467513eaffcce0d409 [0,1,0,1,0,0|1,0,0]=3 17382 B13R1.27 CCOCCNC[C@@H]1CCC(=O)N1 b2fd2284efe8ed1bc0b20ac82037b1ef [0,1,0,1,0,0|2,0,0]=4 17383 B13R1.27 CCOCCNC[C@H]1CCC(=O)N1 066bb9c398b69a977178690c70ad2f3b [0,1,0,1,0,0|2,0,0]=4 17384 B13R1.27 CCOCCOCC1CCC(=O)C1 c6d3479f31a4169d1716453b2c763c43 [0,1,0,1,0,0|2,0,0]=4 17385 B13R1.27 CCOCCOCC1CCC(=O)N1 88d8165a5cb917749119838e78bdbc62 [0,1,0,1,0,0|2,0,0]=4 17386 B13R1.27 CCOCCOCC1CCC(=O)O1 1b1c4ada959189a02d13548d1e7e3a54 [0,1,0,1,0,0|1,0,0]=3 17387 B13R1.27 CCOCCOCC1COC(=O)C1 b42980195f951c4c6b6908d16e96fc6a [0,1,0,1,0,0|2,0,0]=4 17388 B13R1.27 CCOCCOC[C@@H]1CCC(=O)C1 a262f927fe46e976681a1589254ce2a8 [0,1,0,1,0,0|2,0,0]=4 17389 B13R1.27 CCOCCOC[C@@H]1CCC(=O)N1 c0ddb07d66406b11c164e5ad1666b837 [0,1,0,1,0,0|2,0,0]=4 17390 B13R1.27 CCOCCOC[C@@H]1CCC(=O)O1 f09d19ae5516d46ad0b49d3d9b2a2c2b [0,1,0,1,0,0|1,0,0]=3 17391 B13R1.27 CCOCCOC[C@H]1CCC(=O)N1 e154cbb982aa37b9dacc0aa72199bfaa [0,1,0,1,0,0|2,0,0]=4 17392 B13R1.27 CCOCCOC[C@H]1CCC(=O)O1 21e729680798c717bb163574bb50d6d3 [0,1,0,1,0,0|1,0,0]=3 17393 B13R1.27 CCSCCCOC1COC(=O)C1 a9fb4d1f7a9d909653538af431470ddb [0,1,0,1,0,0|2,0,0]=4 17394 B13R1.27 CCSCCCO[C@@H]1COC(=O)C1 e359b4b1509cac863a1990cb830ebccb [0,1,0,1,0,0|2,0,0]=4 17395 B13R1.27 CCSCCCO[C@H]1COC(=O)C1 f0599d212e00e4ae9ea200a238f4c3bb [0,1,0,1,0,0|2,0,0]=4 17396 B13R1.27 CCSCCNCC1CCC(=O)N1 fff946cc56947ebd64c9168e82ef78c0 [0,1,0,1,0,0|2,0,0]=4 17397 B13R1.27 CCSCCNCC1CCC(=O)O1 cd00d33d75cbff8c979c4fdc66167f47 [0,1,0,1,0,0|1,0,0]=3 17398 B13R1.27 CCSCCNC[C@@H]1CCC(=O)N1 17e061e901acb0a723f76312e2c311ec [0,1,0,1,0,0|2,0,0]=4 17399 B13R1.27 CCSCCNC[C@H]1CCC(=O)N1 5a904785d1adc44997034716fc15c50b [0,1,0,1,0,0|2,0,0]=4 17400 B13R1.27 CCSCCOCC1CCC(=O)C1 3da2c9344e494b02615ed17c94d9fa7a [0,1,0,1,0,0|2,0,0]=4 17401 B13R1.27 CCSCCOCC1CCC(=O)N1 24fd43d02f503259b7f0156bbbd135de [0,1,0,1,0,0|2,0,0]=4 17402 B13R1.27 CCSCCOCC1CCC(=O)O1 ed09d220813ee8cb1379c04e0ae66898 [0,1,0,1,0,0|1,0,0]=3 17403 B13R1.27 CCSCCOCC1COC(=O)C1 c7a1dc81a7a9f62db0c85959779ff62c [0,1,0,1,0,0|2,0,0]=4 17404 B13R1.27 CCSCCOC[C@@H]1CCC(=O)C1 2890a5fa1935de710d2a54b742d1af0a [0,1,0,1,0,0|2,0,0]=4 17405 B13R1.27 CCSCCOC[C@@H]1CCC(=O)N1 0bab81f5cc7960be5a4e683cb81496fe [0,1,0,1,0,0|2,0,0]=4 17406 B13R1.27 CCSCCOC[C@H]1CCC(=O)N1 073c2b5f1d7633827d657a8d1c78e737 [0,1,0,1,0,0|2,0,0]=4 17407 B13R1.27 COCCCCOC1CCC(=O)C1 4df7bf950625e4e9b33a836df605e8a4 [0,1,0,1,0,0|2,0,0]=4 17408 B13R1.27 COCCCCOC1COC(=O)C1 c90edfe93c72c45b049f24cc6f1b1cb5 [0,1,0,1,0,0|2,0,0]=4 17409 B13R1.27 COCCCCO[C@@H]1COC(=O)C1 a2effc017bcd6ad1e4dab67f18fa4a04 [0,1,0,1,0,0|2,0,0]=4 17410 B13R1.27 COCCCCO[C@H]1COC(=O)C1 7fa00a9acba075b3ae8002fba520cfc8 [0,1,0,1,0,0|2,0,0]=4 17411 B13R1.27 COCCCNCC1CCC(=O)N1 ec5f7a2107b680ac86be29b4c46138fa [0,1,0,1,0,0|2,0,0]=4 17412 B13R1.27 COCCCNCC1CCC(=O)O1 9eb883604ac505bf81fa54d34e757aeb [0,1,0,1,0,0|1,0,0]=3 17413 B13R1.27 COCCCNC[C@@H]1CCC(=O)N1 8fcfa279cdf6322fd532cabfb1f6e752 [0,1,0,1,0,0|2,0,0]=4 17414 B13R1.27 COCCCNC[C@H]1CCC(=O)N1 58bf085a8362572c0d761d823e40cf4b [0,1,0,1,0,0|2,0,0]=4 17415 B13R1.27 COCCCOCC1CCC(=O)C1 c853a6974926d0cefce93a8eb8da5da7 [0,1,0,1,0,0|2,0,0]=4 17416 B13R1.27 COCCCOCC1CCC(=O)N1 67c2d97d90a1f676a3d1f60f15f04e28 [0,1,0,1,0,0|2,0,0]=4 17417 B13R1.27 COCCCOCC1CCC(=O)O1 e852871a05ac485a2e64abda267b9d94 [0,1,0,1,0,0|1,0,0]=3 17418 B13R1.27 COCCCOCC1COC(=O)C1 e1c870f55558261f06124c82497f320d [0,1,0,1,0,0|2,0,0]=4 17419 B13R1.27 COCCCOC[C@@H]1CCC(=O)C1 aab50fbab223c6a7bae83c1b343c1905 [0,1,0,1,0,0|2,0,0]=4 17420 B13R1.27 COCCCOC[C@@H]1CCC(=O)N1 21aadf855b256e7ecafb1266a5a57e98 [0,1,0,1,0,0|2,0,0]=4 17421 B13R1.27 COCCCOC[C@@H]1CCC(=O)O1 4390b07188c35aa03a69809ca984ae52 [0,1,0,1,0,0|1,0,0]=3 17422 B13R1.27 COCCCOC[C@H]1CCC(=O)N1 033d1a75149cd1a3c92015ef38cfc120 [0,1,0,1,0,0|2,0,0]=4 17423 B13R1.27 COCCCOC[C@H]1CCC(=O)O1 ac2a029b53cd7abf953d11f362e4ba86 [0,1,0,1,0,0|1,0,0]=3 17424 B13R1.27 COCCOCC[C@@H]1CCC(=O)N1 93c34193a423456129bc453675905e10 [0,1,0,1,0,0|2,0,0]=4 17425 B13R1.27 CSCCCNCC1CCC(=O)N1 f18301393780b089086ad0d36f4f8a50 [0,1,0,1,0,0|2,0,0]=4 17426 B13R1.27 CSCCCNCC1CCC(=O)O1 485cc94ddd68b5f61caba3670ca14673 [0,1,0,1,0,0|1,0,0]=3 17427 B13R1.27 CSCCCNC[C@@H]1CCC(=O)N1 16cee533320685bf44363d347854ee2a [0,1,0,1,0,0|2,0,0]=4 17428 B13R1.27 CSCCCNC[C@H]1CCC(=O)N1 a6d2cdf548d63311df3bf3a94d1b9425 [0,1,0,1,0,0|2,0,0]=4 17429 B13R1.27 CSCCCOCC1CCC(=O)C1 36489ce63183ace72fa617a5c37e8431 [0,1,0,1,0,0|2,0,0]=4 17430 B13R1.27 CSCCCOCC1CCC(=O)N1 be5024fd8b2a2e05db38e41601134360 [0,1,0,1,0,0|2,0,0]=4 17431 B13R1.27 CSCCCOCC1CCC(=O)O1 02df84ab8bf574d164015befd13bef58 [0,1,0,1,0,0|1,0,0]=3 17432 B13R1.27 CSCCCOCC1COC(=O)C1 01c9adee1867c3246fee101555a0dfe3 [0,1,0,1,0,0|2,0,0]=4 17433 B13R1.27 CSCCCOC[C@@H]1CCC(=O)C1 5df80f59ee4d147b3ec6f289368d5543 [0,1,0,1,0,0|2,0,0]=4 17434 B13R1.27 CSCCCOC[C@@H]1CCC(=O)N1 9fa17c98da8647835e142996001b8a06 [0,1,0,1,0,0|2,0,0]=4 17435 B13R1.27 CSCCCOC[C@@H]1CCC(=O)O1 3d8d6f173eb8e04674cceaf3392a3ee3 [0,1,0,1,0,0|1,0,0]=3 17436 B13R1.27 CSCCCOC[C@H]1CCC(=O)N1 f81587b69ed2a8234041601e2b30d2ff [0,1,0,1,0,0|2,0,0]=4 17437 B13R1.27 CSCCCOC[C@H]1CCC(=O)O1 86168bd5ee2f18f994c10ef5d1e9314b [0,1,0,1,0,0|1,0,0]=3 17438 B13R1.27 CSCCOCC[C@@H]1CCC(=O)N1 09e8ada1e6888c7882149a5feae55001 [0,1,0,1,0,0|2,0,0]=4 17439 B13R1.27 N#CCCCNCC1CCC(=O)O1 4fd9df75978a3598f67d124fcb888c3d [0,1,0,1,0,0|1,0,1]=4 17440 B13R1.27 N#CCCCOCC1CCC(=O)O1 3b8c428ce44fe8fe822bd39400b9bb13 [0,1,0,1,0,0|1,0,1]=4 17441 B13R1.27 N#CCCCOC[C@@H]1CCC(=O)O1 971476d45350b8e5bb70a69dac087877 [0,1,0,1,0,0|1,0,1]=4 17442 B13R1.27 N#CCCCOC[C@H]1CCC(=O)O1 06ec6a664feb1c6cea59b3fee8073f9d [0,1,0,1,0,0|1,0,1]=4 17443 B13R1.27 O=C1CC(CO1)COCCCCF e1bc537f8115eaecd561bed43accef34 [0,1,0,1,0,0|2,0,0]=4 17444 B13R1.27 O=C1CC(CO1)OCCCCCF dd7e3200441ef1d2700838f312d9d2b1 [0,1,0,1,0,0|2,0,0]=4 17445 B13R1.27 O=C1CCC(C1)COCCCCF fa1646a92b3069320116d3065fdfa7e9 [0,1,0,1,0,0|2,0,0]=4 17446 B13R1.27 O=C1CCC(C1)OCCCCCF 48cd61b0506fd01ab4df42fed60514e8 [0,1,0,1,0,0|2,0,0]=4 17447 B13R1.27 O=C1CCC(N1)CNCCCCCl f8661c72889cf6d13af84bfaea2ed80a [0,1,0,1,0,0|2,0,0]=4 17448 B13R1.27 O=C1CCC(N1)CNCCCCF fa35232688449c3b84af7a0da2c99a01 [0,1,0,1,0,0|2,0,0]=4 17449 B13R1.27 O=C1CCC(N1)CNCCCCO 84bd08727fae64f7fc87502722596750 [0,1,0,1,0,0|2,0,0]=4 17450 B13R1.27 O=C1CCC(N1)CNCCCCS f875cca5e38b83df1217c62a5eff16ba [0,1,0,1,0,0|2,0,0]=4 17451 B13R1.27 O=C1CCC(N1)COCCCCF 4c53d8b40a3e81aeba0a5500bb4550dd [0,1,0,1,0,0|2,0,0]=4 17452 B13R1.27 O=C1CCC(N1)COCCCCS 56d0c9368062f21abd23a8a2de8c8e27 [0,1,0,1,0,0|2,0,0]=4 17453 B13R1.27 O=C1CCC(O1)CNCCCCCl 2f0b33795de474a2621c95637eabdfa8 [0,1,0,1,0,0|1,0,0]=3 17454 B13R1.27 O=C1CCC(O1)CNCCCCO 2f1bc6d4a95696617fb6f8dbc44a2725 [0,1,0,1,0,0|1,0,0]=3 17455 B13R1.27 O=C1CCC(O1)CNCCCCS 035dc448020aec6bd2c566a412d5b613 [0,1,0,1,0,0|1,0,0]=3 17456 B13R1.27 O=C1CCC(O1)COCCCCF 81bbb71def31d44adf44778c903e6b94 [0,1,0,1,0,0|1,0,0]=3 17457 B13R1.27 O=C1CCC(O1)COCCCCS 71bcde828fea17b971e16d50cd6fbedb [0,1,0,1,0,0|1,0,0]=3 17458 B13R1.27 O=C1CC[C@@H](N1)CNCCCCCl af66a344b303d4619a5f6485e272de18 [0,1,0,1,0,0|2,0,0]=4 17459 B13R1.27 O=C1CC[C@@H](N1)CNCCCCF 97b703d947fdb35839395ac211be51c6 [0,1,0,1,0,0|2,0,0]=4 17460 B13R1.27 O=C1CC[C@@H](N1)CNCCCCO d3d21c1b5d8ef3e1e7dc6d85cef86b4d [0,1,0,1,0,0|2,0,0]=4 17461 B13R1.27 O=C1CC[C@@H](N1)CNCCCCS cb24a965d20546b31f237092e6650968 [0,1,0,1,0,0|2,0,0]=4 17462 B13R1.27 O=C1CC[C@@H](N1)COCCCCF 31f69c823fb8677c92c233be81cdcaf3 [0,1,0,1,0,0|2,0,0]=4 17463 B13R1.27 O=C1CC[C@@H](N1)COCCCCS b85fb7127fb8f016be1a14777509a5b0 [0,1,0,1,0,0|2,0,0]=4 17464 B13R1.27 O=C1CC[C@@H](O1)COCCCCF 909fc61b7b7df3a5d5afd269206cfb60 [0,1,0,1,0,0|1,0,0]=3 17465 B13R1.27 O=C1CC[C@H](C1)COCCCCF a68824cd410ebb02304848c3bf3e540d [0,1,0,1,0,0|2,0,0]=4 17466 B13R1.27 O=C1CC[C@H](N1)CCOCCCF 8a723995e2b0e32ce106b390372015e8 [0,1,0,1,0,0|2,0,0]=4 17467 B13R1.27 O=C1CC[C@H](N1)CCOCCCS 6cf751f17a87fb4e444b994b54fe29a4 [0,1,0,1,0,0|2,0,0]=4 17468 B13R1.27 O=C1CC[C@H](N1)CNCCCCCl 3eff5fa286614cb7f5fe49db59f1880a [0,1,0,1,0,0|2,0,0]=4 17469 B13R1.27 O=C1CC[C@H](N1)CNCCCCF d75d79129f3878f7a641506d1abc47dc [0,1,0,1,0,0|2,0,0]=4 17470 B13R1.27 O=C1CC[C@H](N1)CNCCCCO 81a0dcc0ef18af093517ffe0f8938466 [0,1,0,1,0,0|2,0,0]=4 17471 B13R1.27 O=C1CC[C@H](N1)CNCCCCS 3e9308b6010ce5f926a6126e2d67421e [0,1,0,1,0,0|2,0,0]=4 17472 B13R1.27 O=C1CC[C@H](N1)COCCCCF e959730fd119a09274bc11562d8743d4 [0,1,0,1,0,0|2,0,0]=4 17473 B13R1.27 O=C1CC[C@H](N1)COCCCCS e0076ecafaedabfe110a4e7ab5547bc6 [0,1,0,1,0,0|2,0,0]=4 17474 B13R1.27 O=C1CC[C@H](O1)COCCCCF 9854ae4c011d20409049d803bf89fe8c [0,1,0,1,0,0|1,0,0]=3 17475 B13R1.27 O=C1C[C@@H](CO1)OCCCCCF 0b0eabc2a172b64fcc0e512e25524a0c [0,1,0,1,0,0|2,0,0]=4 17476 B13R1.27 O=C1C[C@H](CO1)OCCCCCF 6bd45f5073c906b9cb075e527f9471e2 [0,1,0,1,0,0|2,0,0]=4 17477 B13R1.27 O=CCCCOCC1CCC(=O)O1 101afbb114447c1ca08b40473a83ed94 [0,1,0,1,0,0|1,0,1]=4 17478 B13R1.27 O=CCCCOC[C@@H]1CCC(=O)O1 edfb80ac3751d0f2ba817b598e8db833 [0,1,0,1,0,0|1,0,1]=4 17479 B13R1.27 O=CCCCOC[C@H]1CCC(=O)O1 56b09b6e14f4d8b8cdf84a36d88d7df2 [0,1,0,1,0,0|1,0,1]=4 17480 B13R1.190 CC1CC(=O)OC1OCCCCF 8f58f692e2bcdcd7c6e330bdb5a018d0 [0,1,0,1,0,0|2,0,0]=4 17481 B13R1.190 CCCCCOC1OC(=O)CC1C 09b76732ba0d4545bbc8eb9b3e28d202 [0,1,0,1,0,0|1,0,0]=3 17482 B13R1.190 CCOCCOC1OC(=O)CC1C 11c35ceb143d23243b7cb421c28a470b [0,1,0,1,0,0|2,0,0]=4 17483 B13R1.190 CCSCCOC1OC(=O)CC1C a5ba5cf378f47a406323b8ee9b4ff149 [0,1,0,1,0,0|2,0,0]=4 17484 B13R1.190 COCCCOC1OC(=O)CC1C 4d2a3a95841d5f830e26ba4746a4ac0c [0,1,0,1,0,0|2,0,0]=4 17485 B13R1.190 CSCCCOC1OC(=O)CC1C fff2291a273523b3429bb0048839d278 [0,1,0,1,0,0|2,0,0]=4 17486 B13R1.201 CC(CC(=O)O)N1CCCC[C@@H]1C d557747000f4eb4eb8cd5872e3d1ca50 [0,1,0,1,0,0|1,0,0]=3 17487 B13R1.201 CC(CC(=O)O)N1CCCC[C@H]1C d9e18b2247e577698739cb99a0831fd0 [0,1,0,1,0,0|1,0,0]=3 17488 B13R1.201 CC(CC(=O)O)N1CCOC[C@@H]1C 81f08c6a9f9a52a4279367757fc56b4d [0,1,0,1,0,0|2,0,0]=4 17489 B13R1.201 CC(CC(=O)O)N1CCOC[C@H]1C af189d75873e724b2c23182d50b04fa8 [0,1,0,1,0,0|2,0,0]=4 17490 B13R1.201 CC1CCCCN1C(C)CC(=O)O de73d5acdeacbd35e290854606b9251f [0,1,0,1,0,0|1,0,0]=3 17491 B13R1.201 CC1COCCN1C(C)CC(=O)O 126ae8dea6a47b8c78033b1d5e9d92e1 [0,1,0,1,0,0|2,0,0]=4 17492 B13R1.201 CN(CC(=O)O)C1CCCCC1F 4cee4842c6293f06dc1678ba8679e720 [0,1,0,1,0,0|2,0,0]=4 17493 B13R1.201 CN(CC(=O)O)C1CCCCC1O 2fecf2dc59d4fc1afe11c696fe0f2dcd [0,1,0,1,0,0|2,0,0]=4 17494 B13R1.201 CN(CC(=O)O)[C@@H]1CCCC[C@H]1O 2c01eecb76e0725145d7a794cc983094 [0,1,0,1,0,0|2,0,0]=4 17495 B13R1.201 CN(CC(=O)O)[C@H]1CCCC[C@@H]1O 91373c175223cf7826d48bd1be8dd0ec [0,1,0,1,0,0|2,0,0]=4 17496 B13R1.201 CN(CC(=O)O)[C@H]1CCCC[C@H]1O 15ae9348ef8664596a56312fbaee9171 [0,1,0,1,0,0|2,0,0]=4 17497 B13R1.201 C[C@@H]1CCCC[C@@H]1N(C)CC(=O)N a171ba82f2bf442d3604fccc384be038 [0,1,0,1,0,0|2,0,0]=4 17498 B13R1.201 C[C@@H]1CCCC[C@@H]1N(C)CC(=O)O ae789d51c7fb1c7a9de6c318134e764e [0,1,0,1,0,0|1,0,0]=3 17499 B13R1.282 CC(CC(=O)O)NC1CCCC1O 5a188d329f26804d4bc1790632155960 [0,1,0,1,0,0|2,0,0]=4 17500 B13R1.282 CC(CC(=O)O)N[C@@H]1CCC[C@@H]1O 2c16e6ab7c8b4e2fafb9679dbfe89370 [0,1,0,1,0,0|2,0,0]=4 17501 B13R1.282 CC(CC(=O)O)N[C@@H]1CCC[C@H]1O a76f813f16f47babc9e6cc8efacec770 [0,1,0,1,0,0|2,0,0]=4 17502 B13R1.282 CC(CC(=O)O)N[C@H]1CCC[C@@H]1O aeedabc9351a3b90fed12b85351f149c [0,1,0,1,0,0|2,0,0]=4 17503 B13R1.282 CC(CC(=O)O)N[C@H]1CCC[C@H]1O 0698cec6f39cab6f925ce1244969f81a [0,1,0,1,0,0|2,0,0]=4 17504 B13R1.282 CC(CC(=O)O)OC1CCCC1C 67e30390eaf535a5763e0c2735987a8f [0,1,0,1,0,0|1,0,0]=3 17505 B13R1.282 CC(CC(=O)O)OC1COCC1C 20a23dba7e9619a876d04e5cb24b5394 [0,1,0,1,0,0|2,0,0]=4 17506 B13R1.282 CC(CC(=O)O)O[C@@H]1CCC[C@@H]1C 3dec3ce28fd70d70766b3114a67b68f0 [0,1,0,1,0,0|1,0,0]=3 17507 B13R1.282 CC(CC(=O)O)O[C@@H]1CCC[C@H]1C de0b57c51031fbff4e01e63d882e02cb [0,1,0,1,0,0|1,0,0]=3 17508 B13R1.282 CC(CC(=O)O)O[C@@H]1CCC[C@H]1F 66da2ed3cf4a2e3c7ef93a4c0eda7e24 [0,1,0,1,0,0|2,0,0]=4 17509 B13R1.282 CC(CC(=O)O)O[C@@H]1COC[C@@H]1C 6de71ac0247425cde1a80bfa2cfa4297 [0,1,0,1,0,0|2,0,0]=4 17510 B13R1.282 CC(CC(=O)O)O[C@H]1CCC[C@@H]1C 279d93d2d59812f4a0f1f8a00493e745 [0,1,0,1,0,0|1,0,0]=3 17511 B13R1.282 CC(CC(=O)O)O[C@H]1CCC[C@H]1C 70e1c3e28cca4414c98d9c4700213cca [0,1,0,1,0,0|1,0,0]=3 17512 B13R1.282 CC(CC(=O)O)O[C@H]1COC[C@@H]1C 77e848e4d592283766df219d33e323ab [0,1,0,1,0,0|2,0,0]=4 17513 B13R1.282 CC(CC(=O)O)O[C@H]1COC[C@H]1C 73f2120f9a0a7c3a1cf28f2a5d509b57 [0,1,0,1,0,0|2,0,0]=4 17514 B13R1.282 CC1CCCN1CC(=O)CC(=O)O bef6fdd3cf278f34bd53b9d15c6ea5ff [0,1,0,1,0,0|1,0,1]=4 17515 B13R1.282 CC1COCC1CN(C)CC(=O)O 7a16d8b2ce002f88b2e812564bbb36a5 [0,1,0,1,0,0|2,0,0]=4 17516 B13R1.282 CN(CC(=O)O)CC1CCCN1C 63c17ded45fab92d5e5904630803bfa5 [0,1,0,1,0,0|2,0,0]=4 17517 B13R1.282 CN(CC(=O)O)C[C@@H]1CCCN1C 8ae02095482cc6a395a7bdbc80974e0c [0,1,0,1,0,0|2,0,0]=4 17518 B13R1.282 CN(CC(=O)O)C[C@H]1CCCN1C 7265d037fb06d3572b62cd821c4f52a6 [0,1,0,1,0,0|2,0,0]=4 17519 B13R1.282 C[C@@H]1CCCN1CC(=O)CC(=O)O b39839b568c55224612c58e1c827e95c [0,1,0,1,0,0|1,0,1]=4 17520 B13R1.282 C[C@H]1CCCN1CC(=O)CC(=O)O 1086363a56483f789da4449bbe0dfce5 [0,1,0,1,0,0|1,0,1]=4 17521 B13R1.296 CC(CC(=O)O)NCC1CCN1C b06c32ae8e8ce449edc85865b1640a73 [0,1,0,1,0,0|2,0,0]=4 17522 B13R1.296 CC(CC(=O)O)OCC1CCN1C 3d2b821423b8c142733037d0c7966833 [0,1,0,1,0,0|2,0,0]=4 17523 B13R1.296 CC(CC(=O)O)OC[C@@H]1CCN1C 7d06f1962b79d566962d5d8b51ad9a8c [0,1,0,1,0,0|2,0,0]=4 17524 B13R1.296 CC(CC(=O)O)OC[C@H]1CCN1C 5fdb21c383068c74b876878bcddd55e7 [0,1,0,1,0,0|2,0,0]=4 17525 B13R1.296 C[C@@H]1CC[C@@H]1NCC(=O)CC(=O)O 63e350d52a475af97b2008c273fe12bc [0,1,0,1,0,0|1,0,1]=4 17526 B13R1.296 C[C@@H]1CC[C@H]1NCC(=O)CC(=O)O 6054c6ce0f251ec5e4c0aa7637497762 [0,1,0,1,0,0|1,0,1]=4 17527 B13R1.348 CC(=O)NC(C)CC1CCCCC1 1100b5a28bc3034a3e5c29766afc8d6a [0,1,0,1,0,0|2,0,0]=4 17528 B13R1.348 CC(CC(=O)N)OC1CCCCC1 7d63bef4a809776e2390ec6be661fe9f [0,1,0,1,0,0|2,0,0]=4 17529 B13R1.348 CC(CC(=O)O)NC1CCCCC1 925daf2479bdf5937ab5ba4f8ffc5a0c [0,1,0,1,0,0|1,0,0]=3 17530 B13R1.348 CC(CC(=O)O)NC1CCOCC1 68ad675328071d48646f7fa74b01df83 [0,1,0,1,0,0|2,0,0]=4 17531 B13R1.348 CC(CC(=O)O)NC1CCSCC1 859a1e68d89dcc078a63bcb4b45db37f [0,1,0,1,0,0|2,0,0]=4 17532 B13R1.348 CC(CC(=O)O)OC1CCCCC1 70a049855054c30d8cd0fe52f97a6a83 [0,1,0,1,0,0|1,0,0]=3 17533 B13R1.348 CC(CC(=O)O)OC1CCCCO1 85b1a10741fcdabcb8120ee850ae1dea [0,1,0,1,0,0|2,0,0]=4 17534 B13R1.348 CN(CC(=O)N)CC1CCCCC1 4c3bd811308745f2ebe0d6604c3133ac [0,1,0,1,0,0|2,0,0]=4 17535 B13R1.348 CN(CC(=O)O)CC1CCCCC1 eaad844033a689637b5e78bc836a7f50 [0,1,0,1,0,0|1,0,0]=3 17536 B13R1.348 CN(CC(=O)O)CC1CCCCO1 c5a2f58e2667aca3edf553e838489d08 [0,1,0,1,0,0|2,0,0]=4 17537 B13R1.348 CN(CC(=O)O)CC1CCCOC1 8ddaee54675d412b6a9dda8deac0428c [0,1,0,1,0,0|2,0,0]=4 17538 B13R1.348 CN(CC(=O)O)CC1CCOCC1 5bf62d516af91eb4e14d52684fc5ce37 [0,1,0,1,0,0|2,0,0]=4 17539 B13R1.348 CN(CC(=O)O)CC1CCSCC1 e2915b69c71c5019a40b6f2e0c341a17 [0,1,0,1,0,0|2,0,0]=4 17540 B13R1.348 C[C@@H](CC(=O)O)NC1CCCCC1 704c5bdba46577418f9e304a5792961d [0,1,0,1,0,0|1,0,0]=3 17541 B13R1.348 C[C@@H](CC(=O)O)NC1CCOCC1 87dd719e08049f9403ca48b2f655521d [0,1,0,1,0,0|2,0,0]=4 17542 B13R1.348 C[C@@H](CC(=O)O)NC1CCSCC1 82fe85fdefda737abe58fea18e7f14e4 [0,1,0,1,0,0|2,0,0]=4 17543 B13R1.348 C[C@H](CC(=O)O)NC1CCCCC1 3864fde7ad246c61ee53871c7501dc8b [0,1,0,1,0,0|1,0,0]=3 17544 B13R1.348 C[C@H](CC(=O)O)NC1CCOCC1 e692e4281b9dd3284b823ba7d7046d91 [0,1,0,1,0,0|2,0,0]=4 17545 B13R1.348 C[C@H](CC(=O)O)NC1CCSCC1 a718354ad51481cc2216ea46cbe0f2ca [0,1,0,1,0,0|2,0,0]=4 17546 B13R1.373 CCCN1CCCC(C1)CC(=O)O 53c7c7debf9df67d455467799dbd7865 [0,1,0,1,0,0|1,0,0]=3 17547 B13R1.373 CCCN1CCOC(C1)CC(=O)O 10aff3d7d646b137173d1fc1bf383108 [0,1,0,1,0,0|2,0,0]=4 17548 B13R1.373 CCCN1CCO[C@@H](C1)CC(=O)O 2a0ca2111433f9af5a1ba8877f05cccd [0,1,0,1,0,0|2,0,0]=4 17549 B13R1.373 CCOC1CCCN(C1)CC(=O)O f1964cdab167e3a0d16e699171b5d46e [0,1,0,1,0,0|2,0,0]=4 17550 B13R1.373 COCC1CCCN(C1)CC(=O)O a6d03c54fdd98854fbd5902e62de6e2f [0,1,0,1,0,0|2,0,0]=4 17551 B13R1.373 COCN1CCCC(C1)CC(=O)O 222a0094293ca0db408db73386edd700 [0,1,0,1,0,0|2,0,0]=4 17552 B13R1.373 COC[C@@H]1CCCN(C1)CC(=O)O f509a5678dd1f715586e557fa5276fc1 [0,1,0,1,0,0|2,0,0]=4 17553 B13R1.373 CSCN1CCCC(C1)CC(=O)O f8e5663817309cbfbcb2009d9f6749aa [0,1,0,1,0,0|2,0,0]=4 17554 B13R1.373 O=C(O)CC1CCCN(C1)CCF a6fb1c7502f39fec4bf0816906402f8f [0,1,0,1,0,0|2,0,0]=4 17555 B13R1.373 O=C(O)CC1CCCN(C1)CCO c7ccb8c7c4fbb85d817bf1d03ce04386 [0,1,0,1,0,0|2,0,0]=4 17556 B13R1.373 O=C(O)CC1CCCN(C1)CCS d2abb639a3f446b62089b878b2a1cd52 [0,1,0,1,0,0|2,0,0]=4 17557 B13R1.373 O=C(O)CN1CCCC(C1)CCO 412f3f783f00c2d9f9fcba1b54c01f1e [0,1,0,1,0,0|2,0,0]=4 17558 B13R1.497 CCCCN1CCC(C1C(=O)O)O 0b91482fb9d0d783dbab9eddfeaf4fe2 [0,1,0,1,0,0|1,0,0]=3 17559 B13R1.497 CCCCN1CC[C@@H]([C@@H]1C(=O)O)F 927872b11686541a8fd4cad2c925955c [0,1,0,1,0,0|1,0,0]=3 17560 B13R1.497 CCCCN1CC[C@@H]([C@@H]1C(=O)O)O 5c77808170195d69fbf7965d95790c71 [0,1,0,1,0,0|1,0,0]=3 17561 B13R1.497 CCCCN1CC[C@@H]([C@H]1C(=O)N)O 83d6741804c1580849bceda35e71a70a [0,1,0,1,0,0|2,0,0]=4 17562 B13R1.497 CCCCN1CC[C@@H]([C@H]1C(=O)O)C b94748a936e92db64c8f3a245b150d88 [0,1,0,1,0,0|1,0,0]=3 17563 B13R1.497 CCCCN1CC[C@@H]([C@H]1C(=O)O)O 2dde2066c34a28c9aac5f51179ef58d1 [0,1,0,1,0,0|1,0,0]=3 17564 B13R1.497 CCCCN1CC[C@H]([C@@H]1C(=O)O)O 0bbc2bddd9e824bdcd348f9fd5b40909 [0,1,0,1,0,0|1,0,0]=3 17565 B13R1.497 CCCCN1CC[C@H]([C@H]1C(=O)O)F 20ec4592ffedde95e7c3e5811304cf6a [0,1,0,1,0,0|1,0,0]=3 17566 B13R1.497 CCCCN1CC[C@H]([C@H]1C(=O)O)O 2e82f01b9ece0dbcb85a3b63dc3bea20 [0,1,0,1,0,0|1,0,0]=3 17567 B13R1.497 CCOCN1CCC(C1C(=O)O)O 48014449cdf06440a72d0178d163efc0 [0,1,0,1,0,0|2,0,0]=4 17568 B13R1.497 CCOCN1CC[C@@H]([C@@H]1C(=O)O)F 370afe0993adeaf91b4b7d8700719482 [0,1,0,1,0,0|2,0,0]=4 17569 B13R1.497 CCOCN1CC[C@@H]([C@@H]1C(=O)O)O 774ecc23cdf0e2d4d46e243ea599b904 [0,1,0,1,0,0|2,0,0]=4 17570 B13R1.497 CCOCN1CC[C@@H]([C@H]1C(=O)O)C 52bbeadf80867c11b144aad47d8217d4 [0,1,0,1,0,0|2,0,0]=4 17571 B13R1.497 CCOCN1CC[C@@H]([C@H]1C(=O)O)O a55de7ab486c841d8df76debf22755c6 [0,1,0,1,0,0|2,0,0]=4 17572 B13R1.497 CCOCN1CC[C@H]([C@@H]1C(=O)O)O 10494957075a59aaca0a24fc6089e49a [0,1,0,1,0,0|2,0,0]=4 17573 B13R1.497 CCOCN1CC[C@H]([C@H]1C(=O)O)F 97a1b439489919505789815a5568b5f7 [0,1,0,1,0,0|2,0,0]=4 17574 B13R1.497 CCOCN1CC[C@H]([C@H]1C(=O)O)O f8e11caa6cfb750e8daf63cc3b88a150 [0,1,0,1,0,0|2,0,0]=4 17575 B13R1.497 COCCN1CCC(C1C(=O)O)O 85a681d6257e5cb1a662a96faabecd3d [0,1,0,1,0,0|2,0,0]=4 17576 B13R1.497 COCCN1CC[C@@H]([C@@H]1C(=O)O)F 7c7338098a50b751513940171d83ae42 [0,1,0,1,0,0|2,0,0]=4 17577 B13R1.497 COCCN1CC[C@@H]([C@@H]1C(=O)O)O ee62ac88906b1a36417e61994fc4f248 [0,1,0,1,0,0|2,0,0]=4 17578 B13R1.497 COCCN1CC[C@@H]([C@H]1C(=O)O)C 2383fad6e53332cfc192105a46c93bab [0,1,0,1,0,0|2,0,0]=4 17579 B13R1.497 COCCN1CC[C@@H]([C@H]1C(=O)O)O 8faa0f093ce0d5dd1c001a0ae3a26cc6 [0,1,0,1,0,0|2,0,0]=4 17580 B13R1.497 COCCN1CC[C@H]([C@@H]1C(=O)O)O 94ee7b655004660d53abfbf6ed423b67 [0,1,0,1,0,0|2,0,0]=4 17581 B13R1.497 COCCN1CC[C@H]([C@H]1C(=O)O)F bf80f5267f4fd46852c4c4fc8325476e [0,1,0,1,0,0|2,0,0]=4 17582 B13R1.497 COCCN1CC[C@H]([C@H]1C(=O)O)O b8164342f6943da8a1bd49804b509a1e [0,1,0,1,0,0|2,0,0]=4 17583 B13R1.497 CSCCN1CCC(C1C(=O)O)O 52779fd71bb3a7ae04446f4670238a4d [0,1,0,1,0,0|2,0,0]=4 17584 B13R1.497 CSCCN1CC[C@@H]([C@@H]1C(=O)O)F dab822f73334e8dfad22f85ab5a0cbf4 [0,1,0,1,0,0|2,0,0]=4 17585 B13R1.497 CSCCN1CC[C@@H]([C@@H]1C(=O)O)O e48418384a644ff12ead3b03dd7f51f2 [0,1,0,1,0,0|2,0,0]=4 17586 B13R1.497 CSCCN1CC[C@@H]([C@H]1C(=O)O)C 2b28283a1adbb6af09c0449597515bf8 [0,1,0,1,0,0|2,0,0]=4 17587 B13R1.497 CSCCN1CC[C@@H]([C@H]1C(=O)O)O c80cdd28d0a17f9732c951078d334d4e [0,1,0,1,0,0|2,0,0]=4 17588 B13R1.497 CSCCN1CC[C@H]([C@@H]1C(=O)O)O 5c1236df7ac059f02af57357deb3f7bb [0,1,0,1,0,0|2,0,0]=4 17589 B13R1.497 CSCCN1CC[C@H]([C@H]1C(=O)O)F 2e7710a36701b55017ce0e3e40317e53 [0,1,0,1,0,0|2,0,0]=4 17590 B13R1.497 CSCCN1CC[C@H]([C@H]1C(=O)O)O fedc55114100a4b0a955e000a07c28bb [0,1,0,1,0,0|2,0,0]=4 17591 B13R1.497 C[C@H]1CCN([C@@H]1C(=O)O)CCCF 1e7aa01e676bac442c43ec8c36807659 [0,1,0,1,0,0|2,0,0]=4 17592 B13R1.497 C[C@H]1CCN([C@@H]1C(=O)O)CCCO 1333c6ee2966e990af53036ce517d991 [0,1,0,1,0,0|2,0,0]=4 17593 B13R1.497 C[C@H]1CCN([C@@H]1C(=O)O)CCCS 77f8d666517d947414eea9faf8a15b72 [0,1,0,1,0,0|2,0,0]=4 17594 B13R1.497 O=C(O)C1C(CCN1CCCF)O ecc765dc1a0b11b7bfef9256f66032c3 [0,1,0,1,0,0|2,0,0]=4 17595 B13R1.497 O=C(O)C1C(CCN1CCCO)O 9e5d3f1d93cc89f29e071bee57e0df18 [0,1,0,1,0,0|2,0,0]=4 17596 B13R1.497 O=C(O)C1C(CCN1CCCS)O cf0d603581b30005f1db79927cc94dce [0,1,0,1,0,0|2,0,0]=4 17597 B13R1.497 O=C(O)[C@@H]1[C@@H](CCN1CCCF)F bd5d3ee964ff6503dcc4f2c4bd9734b6 [0,1,0,1,0,0|2,0,0]=4 17598 B13R1.497 O=C(O)[C@@H]1[C@@H](CCN1CCCF)O 10579890689c235ed7433826eb618ce4 [0,1,0,1,0,0|2,0,0]=4 17599 B13R1.497 O=C(O)[C@@H]1[C@@H](CCN1CCCO)F 4f3b7b41715e0efa06fe208313246c80 [0,1,0,1,0,0|2,0,0]=4 17600 B13R1.497 O=C(O)[C@@H]1[C@@H](CCN1CCCO)O d520ff1b01aaa97a9ff30623e810ae92 [0,1,0,1,0,0|2,0,0]=4 17601 B13R1.497 O=C(O)[C@@H]1[C@@H](CCN1CCCS)F 21e948e1ba4197453a1d031b12b2367b [0,1,0,1,0,0|2,0,0]=4 17602 B13R1.497 O=C(O)[C@@H]1[C@@H](CCN1CCCS)O 93da08ab57ef4838970f34ff8c5e96b5 [0,1,0,1,0,0|2,0,0]=4 17603 B13R1.497 O=C(O)[C@@H]1[C@H](CCN1CCCF)O bef392dff84376b88ac0a2bc1de952f5 [0,1,0,1,0,0|2,0,0]=4 17604 B13R1.497 O=C(O)[C@@H]1[C@H](CCN1CCCO)O 60371f8915613f1eae4c1fcdf000c94b [0,1,0,1,0,0|2,0,0]=4 17605 B13R1.497 O=C(O)[C@@H]1[C@H](CCN1CCCS)O 798381e7c1c7151e74b205f6e1d6658c [0,1,0,1,0,0|2,0,0]=4 17606 B13R1.497 O=C(O)[C@H]1[C@@H](CCN1CCCF)O 31f2f88d2f6275c3c27042ae8d92f8ae [0,1,0,1,0,0|2,0,0]=4 17607 B13R1.497 O=C(O)[C@H]1[C@@H](CCN1CCCO)O 7b1c3fad2d361cb3faa5733adf33edd5 [0,1,0,1,0,0|2,0,0]=4 17608 B13R1.497 O=C(O)[C@H]1[C@@H](CCN1CCCS)O a044087068efb499860603a70bcc95f5 [0,1,0,1,0,0|2,0,0]=4 17609 B13R1.497 O=C(O)[C@H]1[C@H](CCN1CCCF)F 989d79a6d45471abb9884db40a4c4b8f [0,1,0,1,0,0|2,0,0]=4 17610 B13R1.497 O=C(O)[C@H]1[C@H](CCN1CCCF)O ce40d927c19a50c768b5d637e095dacf [0,1,0,1,0,0|2,0,0]=4 17611 B13R1.497 O=C(O)[C@H]1[C@H](CCN1CCCO)F b847d3412b7343b1c498f73a3529399d [0,1,0,1,0,0|2,0,0]=4 17612 B13R1.497 O=C(O)[C@H]1[C@H](CCN1CCCO)O d969b39d4af374497271d5a8936d4c9a [0,1,0,1,0,0|2,0,0]=4 17613 B13R1.497 O=C(O)[C@H]1[C@H](CCN1CCCS)F 41308702b6a1791f39fd7f4686e5c4c2 [0,1,0,1,0,0|2,0,0]=4 17614 B13R1.497 O=C(O)[C@H]1[C@H](CCN1CCCS)O 6304766fb49c46820d531a31529e6891 [0,1,0,1,0,0|2,0,0]=4 17615 B13R1.498 CCCCN1CCC(C1)CC(=O)N 007827bf223d3e8b52e3aac76fdf31b5 [0,1,0,1,0,0|2,0,0]=4 17616 B13R1.498 CCCCN1CCC(C1)CC(=O)O 1bbef752f76d44139c12affa58863452 [0,1,0,1,0,0|1,0,0]=3 17617 B13R1.498 CCCCN1CC[C@@H](C1)CC(=O)N 253e4598017067d0a583dabbdc1b91c8 [0,1,0,1,0,0|2,0,0]=4 17618 B13R1.498 CCCCN1CC[C@@H](C1)CC(=O)O 2656b1473272f76077193d59f6a468e1 [0,1,0,1,0,0|1,0,0]=3 17619 B13R1.498 CCCCN1CC[C@H](C1)CC(=O)N d67616ac7ea3f44d0c52808e5e3258e2 [0,1,0,1,0,0|2,0,0]=4 17620 B13R1.498 CCCCN1CC[C@H](C1)CC(=O)O 2af9afad79e562dab357bf51eb5b09e5 [0,1,0,1,0,0|1,0,0]=3 17621 B13R1.498 CCCN[C@@H]1CCN(C1)CC(=O)O d6e99d1cf796b155b85892c864e67f1c [0,1,0,1,0,0|2,0,0]=4 17622 B13R1.498 CCCN[C@H]1CCN(C1)CC(=O)O 9b60a0e8a723ff17ecdc2615b604b41b [0,1,0,1,0,0|2,0,0]=4 17623 B13R1.498 CCCOC1CCN(C1)CC(=O)O b183630e08ef983ff715e338f4d1e95c [0,1,0,1,0,0|2,0,0]=4 17624 B13R1.498 CCCO[C@@H]1CCN(C1)CC(=O)O cd008ab31984ea1cdb67a9330c5f96cc [0,1,0,1,0,0|2,0,0]=4 17625 B13R1.498 CCCO[C@@H]1CC[C@H](C1)CC(=O)O 60e6cfef70132d2433f600aab8548af9 [0,1,0,1,0,0|1,0,0]=3 17626 B13R1.498 CCCO[C@H]1CCN(C1)CC(=O)O fd7e35c0db16944d096dac85eb4c0c27 [0,1,0,1,0,0|2,0,0]=4 17627 B13R1.498 CCCO[C@H]1CC[C@H](C1)CC(=O)O b90b52c7edba4609d50a09eab3223963 [0,1,0,1,0,0|1,0,0]=3 17628 B13R1.498 CCOCC1CCN(C1)CC(=O)O bb79dc9fa6e4bcb8de4e960585def9ba [0,1,0,1,0,0|2,0,0]=4 17629 B13R1.498 CCOCN1CCC(C1)CC(=O)O a52e6fd59afac6fc4f8fdba06b637c8f [0,1,0,1,0,0|2,0,0]=4 17630 B13R1.498 CCOCN1CC[C@@H](C1)CC(=O)O 3681f10ec1a13f5490735c150469db19 [0,1,0,1,0,0|2,0,0]=4 17631 B13R1.498 CCOCN1CC[C@H](C1)CC(=O)O c9319c3cf290529bf26e0e258624ca2e [0,1,0,1,0,0|2,0,0]=4 17632 B13R1.498 COCCN1CCC(C1)CC(=O)O 79e706e70c81328dd50284e5f98237f5 [0,1,0,1,0,0|2,0,0]=4 17633 B13R1.498 COCCN1CC[C@@H](C1)CC(=O)O bcee5de8ea024e27d9ab1a41573de024 [0,1,0,1,0,0|2,0,0]=4 17634 B13R1.498 COCCN1CC[C@H](C1)CC(=O)O fc28f89cee5b1501c9819a9fe62b2db4 [0,1,0,1,0,0|2,0,0]=4 17635 B13R1.498 COCO[C@@H]1CC[C@H](C1)CC(=O)O b2873a599a5c45786752491fb4692eb1 [0,1,0,1,0,0|2,0,0]=4 17636 B13R1.498 COCO[C@H]1CC[C@H](C1)CC(=O)O f5676d620c516ff3cd3a4394e5f587a6 [0,1,0,1,0,0|2,0,0]=4 17637 B13R1.498 CSCCN1CCC(C1)CC(=O)O 51e11002c1ceb16c9e1e099c56a4d602 [0,1,0,1,0,0|2,0,0]=4 17638 B13R1.498 CSCCN1CC[C@@H](C1)CC(=O)O 72bc326df37fedf8828ba7bcbd3fa265 [0,1,0,1,0,0|2,0,0]=4 17639 B13R1.498 CSCCN1CC[C@H](C1)CC(=O)O 07686b6dfabb796b4a36a69be2eb304b [0,1,0,1,0,0|2,0,0]=4 17640 B13R1.498 CSCO[C@@H]1CC[C@H](C1)CC(=O)O 28e41d27914675fd15f77501f4d255ba [0,1,0,1,0,0|2,0,0]=4 17641 B13R1.498 CSCO[C@H]1CC[C@H](C1)CC(=O)O cab9d13cb0d5b116735a3a776c46138e [0,1,0,1,0,0|2,0,0]=4 17642 B13R1.498 O=C(O)CC1CCN(C1)CCCF 6994963fc3501b09294dcaf335921180 [0,1,0,1,0,0|2,0,0]=4 17643 B13R1.498 O=C(O)CC1CCN(C1)CCCO fe0364769733f7ed1a1a7e5a039e2fe5 [0,1,0,1,0,0|2,0,0]=4 17644 B13R1.498 O=C(O)CC1CCN(C1)CCCS fda39efbcf063c7ad3b837a5e2d51288 [0,1,0,1,0,0|2,0,0]=4 17645 B13R1.498 O=C(O)C[C@@H]1CCN(C1)CCCF 711094df99d5867ec89b760d397cde20 [0,1,0,1,0,0|2,0,0]=4 17646 B13R1.498 O=C(O)C[C@@H]1CCN(C1)CCCO 4c87eab47c18c54fa261e6927bf5f821 [0,1,0,1,0,0|2,0,0]=4 17647 B13R1.498 O=C(O)C[C@@H]1CCN(C1)CCCS a0831f3cb5fdbad9545c64be7888f8fd [0,1,0,1,0,0|2,0,0]=4 17648 B13R1.498 O=C(O)C[C@@H]1CC[C@@H](C1)OCCF 18dc261822ea622cb54aab08352f2ef7 [0,1,0,1,0,0|2,0,0]=4 17649 B13R1.498 O=C(O)C[C@@H]1CC[C@@H](C1)OCCS c1bb11d4767b8cacc826166bc358e206 [0,1,0,1,0,0|2,0,0]=4 17650 B13R1.498 O=C(O)C[C@@H]1CC[C@H](C1)OCCF 1ee43e39bf93f2765339cb136833c4ca [0,1,0,1,0,0|2,0,0]=4 17651 B13R1.498 O=C(O)C[C@@H]1CC[C@H](C1)OCCS 0be8a9bb63b3e1da4bb016bb83652fff [0,1,0,1,0,0|2,0,0]=4 17652 B13R1.498 O=C(O)C[C@H]1CCN(C1)CCCF e8c831cb77bfed829356d8c29c9bdb13 [0,1,0,1,0,0|2,0,0]=4 17653 B13R1.498 O=C(O)C[C@H]1CCN(C1)CCCO 4f976b675bdea363098a8ccbc36f60e5 [0,1,0,1,0,0|2,0,0]=4 17654 B13R1.498 O=C(O)C[C@H]1CCN(C1)CCCS 2c2e89d927194a8e56113ad96ff69cdb [0,1,0,1,0,0|2,0,0]=4 17655 B13R1.593 CC(CC(=O)N)OCC1CCCC1 fd95d0d64aa29ead82a0bd505a9fc9bc [0,1,0,1,0,0|2,0,0]=4 17656 B13R1.593 CC(CC(=O)O)NCC1CCCC1 ed25f2a4db223f8a9937edea2a7417a7 [0,1,0,1,0,0|1,0,0]=3 17657 B13R1.593 CC(CC(=O)O)NCC1CCCO1 bc0cc6013914aecf3f26dd9f9548a0c3 [0,1,0,1,0,0|2,0,0]=4 17658 B13R1.593 CC(CC(=O)O)NCC1CCOC1 448e1b05b114a58e42ef12dcba1a4fc8 [0,1,0,1,0,0|2,0,0]=4 17659 B13R1.593 CC(CC(=O)O)NC[C@@H]1CCCO1 e52cf46c6ca3fcb2c934d2a6fb29a5ee [0,1,0,1,0,0|2,0,0]=4 17660 B13R1.593 CC(CC(=O)O)NC[C@@H]1CCOC1 65d64bebc1e540692e8f413428862a16 [0,1,0,1,0,0|2,0,0]=4 17661 B13R1.593 CC(CC(=O)O)NC[C@H]1CCCO1 0181623e5fda9724b85c2e072416e104 [0,1,0,1,0,0|2,0,0]=4 17662 B13R1.593 CC(CC(=O)O)NC[C@H]1CCOC1 fad2c5871788874e2018558bee123e4c [0,1,0,1,0,0|2,0,0]=4 17663 B13R1.593 CC(CC(=O)O)OCC1CCCC1 71cc4dde6d1bf48a0fca85ff0a82d5fa [0,1,0,1,0,0|1,0,0]=3 17664 B13R1.593 CC(CC(=O)O)OCC1CCCO1 5a9cf345784973053d7a000a3ae3041e [0,1,0,1,0,0|2,0,0]=4 17665 B13R1.593 CC(CC(=O)O)OCC1CCOC1 f6aebdda0dbe73acd1698ecf34fc28c1 [0,1,0,1,0,0|2,0,0]=4 17666 B13R1.593 CC(CC(=O)O)OCN1CCCC1 777f9a5875fc1d0c58552283a73e8aa5 [0,1,0,1,0,0|2,0,0]=4 17667 B13R1.593 CC(CC(=O)O)OC[C@@H]1CCOC1 3f4ddb18ad40e4c884f1fbae2813f12b [0,1,0,1,0,0|2,0,0]=4 17668 B13R1.593 CC(CC(=O)O)OC[C@H]1CCOC1 8372203e46a61981586a0232039d0945 [0,1,0,1,0,0|2,0,0]=4 17669 B13R1.593 CC(CCN1CCSC1)CC(=O)O 59fed97bb9b48fa45208323aaffb0851 [0,1,0,1,0,0|2,0,0]=4 17670 B13R1.593 CN(CCC1CCCC1)CC(=O)N 16e742fa995412f98fd830106b11bec1 [0,1,0,1,0,0|2,0,0]=4 17671 B13R1.593 CN(CCC1CCCC1)CC(=O)O 97a1368ad18f0856effe3bd721f6b393 [0,1,0,1,0,0|1,0,0]=3 17672 B13R1.593 CN(CCC1CCCO1)CC(=O)O f4cd3b11d92f23a6ff8c0ad94467ea0f [0,1,0,1,0,0|2,0,0]=4 17673 B13R1.593 CN(CCC1CCOC1)CC(=O)O a0b34e562e21bde372bb642d8b99be02 [0,1,0,1,0,0|2,0,0]=4 17674 B13R1.593 CN(CCN1CCCC1)CC(=O)O 7e3b6dbb55c3ee296aa876afc18e36d4 [0,1,0,1,0,0|2,0,0]=4 17675 B13R1.593 C[C@@H](CC(=O)O)NCC1CCCC1 8b41352f155023a3f3f4c8762de89040 [0,1,0,1,0,0|1,0,0]=3 17676 B13R1.593 C[C@@H](CC(=O)O)NCC1CCCO1 01e7c79ebab0e52a808015ffdbdb92e9 [0,1,0,1,0,0|2,0,0]=4 17677 B13R1.593 C[C@@H](CC(=O)O)NCC1CCOC1 ef5a315f0a738ee5945ac302a46e34d2 [0,1,0,1,0,0|2,0,0]=4 17678 B13R1.593 C[C@@H](CC(=O)O)OCC1CCCC1 71a262aba74f8be13032a062ad0e92c8 [0,1,0,1,0,0|1,0,0]=3 17679 B13R1.593 C[C@@H](CC(=O)O)OCC1CCCO1 bb71d82a00a3617708c7a91ac461d775 [0,1,0,1,0,0|2,0,0]=4 17680 B13R1.593 C[C@@H](CC(=O)O)OCC1CCOC1 51beaeaac5c54af40c80d9e16542bb53 [0,1,0,1,0,0|2,0,0]=4 17681 B13R1.593 C[C@H](CC(=O)O)NCC1CCCC1 1f62c52a79e297b1d5bb5fc1a22a0c2a [0,1,0,1,0,0|1,0,0]=3 17682 B13R1.593 C[C@H](CC(=O)O)NCC1CCCO1 60d5b703a27125d028201b7782c51d56 [0,1,0,1,0,0|2,0,0]=4 17683 B13R1.593 C[C@H](CC(=O)O)NCC1CCOC1 c64178239b978dc0741d1084721740b9 [0,1,0,1,0,0|2,0,0]=4 17684 B13R1.593 C[C@H](CC(=O)O)OCC1CCCC1 9b6abd714248c4b841945473b7ccb904 [0,1,0,1,0,0|1,0,0]=3 17685 B13R1.593 C[C@H](CC(=O)O)OCC1CCCO1 3e9e32cbcb19bf56ba4e5c99a8c92953 [0,1,0,1,0,0|2,0,0]=4 17686 B13R1.593 C[C@H](CC(=O)O)OCC1CCOC1 4e5bc82a7105969318e20222678fcf9b [0,1,0,1,0,0|2,0,0]=4 17687 B13R1.593 O=C(O)CC(=O)CNC1CCCC1 96aab0f3882bd486ae1d6c5e573ec9bc [0,1,0,1,0,0|1,0,1]=4 17688 B13R1.593 O=C(O)CC(=O)COC1CCCC1 24a3cc79a6952081291c5dcf993c1efd [0,1,0,1,0,0|1,0,1]=4 17689 B13R1.593 O=C(O)CC(O)CNC1CCCC1 f8e32009f5ed4e83dbd4dd87156516df [0,1,0,1,0,0|1,0,0]=3 17690 B13R1.593 O=C(O)CC(O)CNC1CCOC1 a54aff3db873dad2656c29f941bc10d2 [0,1,0,1,0,0|2,0,0]=4 17691 B13R1.593 O=C(O)CC(O)CN[C@@H]1CCOC1 cc58c5ab0e15f399f6c3ad620c6742b3 [0,1,0,1,0,0|2,0,0]=4 17692 B13R1.593 O=C(O)CC(O)CN[C@H]1CCOC1 5bcad1c761fcf9758b7955c8808e6648 [0,1,0,1,0,0|2,0,0]=4 17693 B13R1.593 O=C(O)C[C@@H](O)CNC1CCCC1 d5631609dfa605e7ee8d29e7d7b93442 [0,1,0,1,0,0|1,0,0]=3 17694 B13R1.593 O=C(O)C[C@@H](O)CNC1CCOC1 e8340bac19b77e7acd0ac707a2f3707f [0,1,0,1,0,0|2,0,0]=4 17695 B13R1.593 O=C(O)C[C@@H](O)CN[C@@H]1CCOC1 6e098cebf6160559ad9fb7231508fd85 [0,1,0,1,0,0|2,0,0]=4 17696 B13R1.593 O=C(O)C[C@@H](O)CN[C@H]1CCOC1 0deadc5972a83d3be52b3f518b2868a4 [0,1,0,1,0,0|2,0,0]=4 17697 B13R1.593 O=C(O)C[C@H](O)CNC1CCCC1 c8517e6e293761edea8c0eac7b3a1765 [0,1,0,1,0,0|1,0,0]=3 17698 B13R1.593 O=C(O)C[C@H](O)CNC1CCOC1 15db0c5aa5648a0e0c18436006b67115 [0,1,0,1,0,0|2,0,0]=4 17699 B13R1.593 O=C(O)C[C@H](O)CN[C@@H]1CCOC1 19f01f0d2e2cab0bf680268d4ab8d72a [0,1,0,1,0,0|2,0,0]=4 17700 B13R1.593 O=C(O)C[C@H](O)CN[C@H]1CCOC1 4b5a5d6b6c166b65006292cf38aca26b [0,1,0,1,0,0|2,0,0]=4 17701 B13R1.600 CC(CC(=O)O)NCC1CC1CO f59b4c117a9400d164d51b783aa92d40 [0,1,0,1,0,0|2,0,0]=4 17702 B13R1.1107 C=C(Br)CN1CCCCCCCC1 c930da5bdee70b47b32e36d4a53667c8 [0,1,0,1,0,0|2,0,0]=4 17703 B13R1.1107 C=C(C)CN1CCCCCCCC1 ae34f16eadd7f89af1ebd3c682c8657e [0,1,0,1,0,0|2,0,0]=4 17704 B13R1.1107 C=C(Cl)CN1CCCCCCCC1 da532c1aa6150da9086fe3b7e4765dd4 [0,1,0,1,0,0|2,0,0]=4 17705 B13R1.1107 C=C(F)CN1CCCCCCCC1 6dbd4162a927f7329e45168a98dc6fa6 [0,1,0,1,0,0|2,0,0]=4 17706 B13R1.1107 CC(O)CN1CCCCCCCC1 d5fedefb41998d6d9c5220580b1e1886 [0,1,0,1,0,0|1,0,1]=4 17707 B13R1.1107 C[C@@H](O)CN1CCCCCCCC1 6261692d5dbc18490cbc4f9baddcf49f [0,1,0,1,0,0|1,0,1]=4 17708 B13R1.1107 C[C@H](O)CN1CCCCCCCC1 36737c72c61605e8f5ab7f0b76e1bf18 [0,1,0,1,0,0|1,0,1]=4 17709 B13R1.1107 NC(=O)CN1CCCCCCCC1 a623611c87d496ababd0c85cc1e4b256 [0,1,0,1,0,0|1,0,0]=3 17710 B13R1.1107 O=C(O)CN1CCCCCCCC1 cbd36c39a59cfe364940e8f8d70f7c10 [0,1,0,1,0,0|0,0,0]=2 17711 B13R1.1107 O=[N+]([O-])CN1CCCCCCCC1 9c9a7f3114e901b84ec55f56e39a9b09 [0,1,0,1,0,0|1,0,1]=4 17712 B13R1.1153 CCCCCN1C[C@H]([C@H]1C(=O)O)C 0cd95b224807f60461ef71a0aadc3f7c [0,1,0,1,0,0|1,0,0]=3 17713 B13R1.1153 CCOCCN1C[C@H]([C@H]1C(=O)O)C 597437c3eb477f5fb0ff8c36f8fc9c7e [0,1,0,1,0,0|2,0,0]=4 17714 B13R1.1153 CCSCCN1C[C@H]([C@H]1C(=O)O)C 927f5cd302a922f6aaa3d9d9cfc48321 [0,1,0,1,0,0|2,0,0]=4 17715 B13R1.1153 COCCCN1C[C@H]([C@H]1C(=O)O)C 86cc5af7163bdf290b223d9f907eb179 [0,1,0,1,0,0|2,0,0]=4 17716 B13R1.1153 CSCCCN1C[C@H]([C@H]1C(=O)O)C 6f324fed4095588959e8a00fb56f6bbd [0,1,0,1,0,0|2,0,0]=4 17717 B13R1.1153 C[C@@H]1CN([C@@H]1C(=O)O)CCCCF 7cd8e6ccc900abc90a2f2b55330cf31d [0,1,0,1,0,0|2,0,0]=4 17718 B13R1.1153 C[C@@H]1CN([C@@H]1C(=O)O)CCCCO 85265005c374a7a06a9072d0b18ae645 [0,1,0,1,0,0|2,0,0]=4 17719 B13R1.1154 CCCCCN1CC(C1)CC(=O)O e8e38406ec63c021d86f132265349d50 [0,1,0,1,0,0|1,0,0]=3 17720 B13R1.1154 CCCCNC1CC(C1)CC(=O)O 06746292156c2b9d93cf9a4c7c438ac7 [0,1,0,1,0,0|1,0,0]=3 17721 B13R1.1154 CCCCOC1CN(C1)CC(=O)O 11cddccf4ee7d6f84212a7b29c83ef95 [0,1,0,1,0,0|2,0,0]=4 17722 B13R1.1154 CCCCO[C@H]1C[C@@H](C1)CC(=O)O 5e73836241eddefddeaf10d3c5d95ef0 [0,1,0,1,0,0|1,0,0]=3 17723 B13R1.1154 CCCCO[C@H]1C[C@H](C1)CC(=O)O 2551e7c709774f6fc9b7360e61d43e8f [0,1,0,1,0,0|1,0,0]=3 17724 B13R1.1154 CCOCCN1CC(C1)CC(=O)O 51868f9a404c9ea786976afe135240e7 [0,1,0,1,0,0|2,0,0]=4 17725 B13R1.1154 CCOCNC1CC(C1)CC(=O)O c8c165409497a34b75ebd90b5cc48753 [0,1,0,1,0,0|2,0,0]=4 17726 B13R1.1154 CCOCO[C@H]1C[C@@H](C1)CC(=O)O fd141d5ac96beb16db881991ef74dbf3 [0,1,0,1,0,0|2,0,0]=4 17727 B13R1.1154 CCOCO[C@H]1C[C@H](C1)CC(=O)O 06086dc28e30a44ebec5802a9266b52e [0,1,0,1,0,0|2,0,0]=4 17728 B13R1.1154 CCSCCN1CC(C1)CC(=O)O 2645950e4b73922c2ba39f3a36d14f94 [0,1,0,1,0,0|2,0,0]=4 17729 B13R1.1154 COCCCN1CC(C1)CC(=O)O e39b747c22aff52e7dc661fce1a0fd16 [0,1,0,1,0,0|2,0,0]=4 17730 B13R1.1154 COCCNC1CC(C1)CC(=O)O cc480dac4e829099d13986a2dfee63b0 [0,1,0,1,0,0|2,0,0]=4 17731 B13R1.1154 COCCO[C@H]1C[C@@H](C1)CC(=O)O 2bf580579ac715ba89c6e25f0a7c753c [0,1,0,1,0,0|2,0,0]=4 17732 B13R1.1154 COCCO[C@H]1C[C@H](C1)CC(=O)O fb0f74ff9ddfed8080dfb8f2e8b8450c [0,1,0,1,0,0|2,0,0]=4 17733 B13R1.1154 CSCCCN1CC(C1)CC(=O)O 8fb64154c9e4cc58ef7d22f8db638a50 [0,1,0,1,0,0|2,0,0]=4 17734 B13R1.1154 CSCCNC1CC(C1)CC(=O)O 39113fc28b7d71cc98afc00501657af0 [0,1,0,1,0,0|2,0,0]=4 17735 B13R1.1154 CSCCO[C@H]1C[C@@H](C1)CC(=O)O e4d3bffa7e4c14ead5c0ae83e52d0e66 [0,1,0,1,0,0|2,0,0]=4 17736 B13R1.1154 CSCCO[C@H]1C[C@H](C1)CC(=O)O 75f8d2764a4a324d6da123e22c45c80c [0,1,0,1,0,0|2,0,0]=4 17737 B13R1.1154 O=C(O)CC1CC(C1)NCCCF 51d96fdf5a1f92eb2713187e5adbd7c6 [0,1,0,1,0,0|2,0,0]=4 17738 B13R1.1154 O=C(O)CC1CC(C1)NCCCO d6f8891295a7bbdef652480cf007a125 [0,1,0,1,0,0|2,0,0]=4 17739 B13R1.1154 O=C(O)CC1CC(C1)NCCCS 0f1da4e9854739071848fd8ddf903da4 [0,1,0,1,0,0|2,0,0]=4 17740 B13R1.1154 O=C(O)CC1CN(C1)CCCCF 34f1462eeac754e8e00c993e34d942a6 [0,1,0,1,0,0|2,0,0]=4 17741 B13R1.1154 O=C(O)CC1CN(C1)CCCCO 377f0378c1705c63bf2ff8eee9552ae3 [0,1,0,1,0,0|2,0,0]=4 17742 B13R1.1154 O=C(O)C[C@H]1C[C@@H](C1)OCCCF 0aa4a031bbd5774d6d2d0edc3452caf6 [0,1,0,1,0,0|2,0,0]=4 17743 B13R1.1154 O=C(O)C[C@H]1C[C@@H](C1)OCCCS b8f198487824a707ded13858d96787aa [0,1,0,1,0,0|2,0,0]=4 17744 B13R1.1154 O=C(O)C[C@H]1C[C@H](C1)OCCCF 8cde7975e4aa7b44322f8d6a4f34c908 [0,1,0,1,0,0|2,0,0]=4 17745 B13R1.1154 O=C(O)C[C@H]1C[C@H](C1)OCCCS e1221b1ef150a778d2495dc322cd07ee [0,1,0,1,0,0|2,0,0]=4 17746 B13R1.2027 CC(CC(=O)N)OCCC1CCC1 557aa1f2e367d39b7e89e0e662162621 [0,1,0,1,0,0|2,0,0]=4 17747 B13R1.2027 CC(CC(=O)O)NCCC1CCC1 bbc4f04cf0f4c18d1546d8bdefc072e6 [0,1,0,1,0,0|1,0,0]=3 17748 B13R1.2027 CC(CC(=O)O)NCCC1CCO1 b3f15abe7c60412d16a102406067fc3f [0,1,0,1,0,0|2,0,0]=4 17749 B13R1.2027 CC(CC(=O)O)NCCC1COC1 20da20411b9b1849f752488b4bc8b080 [0,1,0,1,0,0|2,0,0]=4 17750 B13R1.2027 CC(CC(=O)O)NCCN1CCC1 79b9859b4596c198f1f991ab42a79be6 [0,1,0,1,0,0|2,0,0]=4 17751 B13R1.2027 CC(CC(=O)O)NCC[C@@H]1CCO1 2827336fdb81878f8ff14115249955a7 [0,1,0,1,0,0|2,0,0]=4 17752 B13R1.2027 CC(CC(=O)O)OCCC1CCC1 773f40e27bc55cd735f4581d846dc23d [0,1,0,1,0,0|1,0,0]=3 17753 B13R1.2027 CC(CC(=O)O)OCCC1CCO1 e7bf5ae3b564c14d05995b5861dd8c79 [0,1,0,1,0,0|2,0,0]=4 17754 B13R1.2027 CC(CC(=O)O)OCCC1COC1 7e900f838befd7e2576e263dd0698ea8 [0,1,0,1,0,0|2,0,0]=4 17755 B13R1.2027 CC(CC(=O)O)OCC[C@@H]1CCO1 eedd8a6cf8e96a52fa27c6f1f9a309c8 [0,1,0,1,0,0|2,0,0]=4 17756 B13R1.2027 CC(CC(=O)O)OCC[C@H]1CCO1 a52138cc18eb3818b6774bf1a229c14f [0,1,0,1,0,0|2,0,0]=4 17757 B13R1.2027 CC(CCNC1CCC1)CC(=O)O b06f58fb04488fa33274b48a5293cc29 [0,1,0,1,0,0|1,0,0]=3 17758 B13R1.2027 CC(CCNC1COC1)CC(=O)O a845978af080236e6ef1f084288124ad [0,1,0,1,0,0|2,0,0]=4 17759 B13R1.2027 CC(CCOC1CCC1)CC(=O)O d2069f5713ae432120e2d2fc7039c7fa [0,1,0,1,0,0|1,0,0]=3 17760 B13R1.2027 CC(CCOC1COC1)CC(=O)O 6fbc149f53371e3ae3e9cba9d5832f41 [0,1,0,1,0,0|2,0,0]=4 17761 B13R1.2027 CC(CCOC1CSC1)CC(=O)O 2b38a3e687e590b6385e04f9f319a8bd [0,1,0,1,0,0|2,0,0]=4 17762 B13R1.2027 CN(CCOC1CCC1)CC(=O)O 0ec9dc2057d4be6d3f344c4606f91bc1 [0,1,0,1,0,0|2,0,0]=4 17763 B13R1.2027 C[C@@H](CC(=O)O)NCCC1CCC1 feb75c8a508a1f83f2dc04257eff44f7 [0,1,0,1,0,0|1,0,0]=3 17764 B13R1.2027 C[C@@H](CC(=O)O)NCCC1CCO1 a6138453f345d775ce516fab3793164f [0,1,0,1,0,0|2,0,0]=4 17765 B13R1.2027 C[C@@H](CC(=O)O)NCCC1COC1 1c775712d5e5248da392c0cc4a1f91a5 [0,1,0,1,0,0|2,0,0]=4 17766 B13R1.2027 C[C@@H](CC(=O)O)OCCC1CCC1 1a8c64b9d1ce586c6fe73c2435eac219 [0,1,0,1,0,0|1,0,0]=3 17767 B13R1.2027 C[C@@H](CC(=O)O)OCCC1CCO1 82b8ae3ed630d2c167a14e3de5f01577 [0,1,0,1,0,0|2,0,0]=4 17768 B13R1.2027 C[C@@H](CC(=O)O)OCCC1COC1 795c58d4eb35f4b7b95ce76b985ea5a6 [0,1,0,1,0,0|2,0,0]=4 17769 B13R1.2027 C[C@H](CC(=O)O)NCCC1CCC1 e4ef7c92099134b28e5ae722b46e8fbb [0,1,0,1,0,0|1,0,0]=3 17770 B13R1.2027 C[C@H](CC(=O)O)NCCC1CCO1 549f969048d3b42a81ee84f9ac166c2f [0,1,0,1,0,0|2,0,0]=4 17771 B13R1.2027 C[C@H](CC(=O)O)NCCC1COC1 5c1e4287ac9fc6a98cbcb002791dd325 [0,1,0,1,0,0|2,0,0]=4 17772 B13R1.2027 C[C@H](CC(=O)O)OCCC1CCC1 36e90475865cc5cf1a1804e3fce6142b [0,1,0,1,0,0|1,0,0]=3 17773 B13R1.2027 C[C@H](CC(=O)O)OCCC1CCO1 0dbfbdffca584958c5d8db8e29387235 [0,1,0,1,0,0|2,0,0]=4 17774 B13R1.2027 C[C@H](CC(=O)O)OCCC1COC1 5dc578e88dd26d28ab579f8a5e116da0 [0,1,0,1,0,0|2,0,0]=4 17775 B13R1.2027 O=C(O)CC(=O)CNCC1CCC1 95f3e96ff01426ad7141e975262c5c15 [0,1,0,1,0,0|1,0,1]=4 17776 B13R1.2027 O=C(O)CC(=O)COCC1CCC1 23020f72bdd85e9a14de3b4d46af3589 [0,1,0,1,0,0|1,0,1]=4 17777 B13R1.2027 O=C(O)CC(O)CNCC1CCC1 366fc41372ada1eed3a2c3036d688595 [0,1,0,1,0,0|1,0,0]=3 17778 B13R1.2027 O=C(O)CC(O)CNCC1CCO1 562401e1306b55d94ff9fb98fe082d36 [0,1,0,1,0,0|2,0,0]=4 17779 B13R1.2027 O=C(O)CC(O)CNCC1COC1 011e03158daa82d09541979dc207ce5c [0,1,0,1,0,0|2,0,0]=4 17780 B13R1.2027 O=C(O)CC(O)CNC[C@@H]1CCO1 509ab8fee20b01acdc24ef6faff50ab9 [0,1,0,1,0,0|2,0,0]=4 17781 B13R1.2027 O=C(O)CC(O)CNC[C@H]1CCO1 ce2de879e193b4e1869286c6547cb379 [0,1,0,1,0,0|2,0,0]=4 17782 B13R1.2027 O=C(O)C[C@@H](O)CNCC1CCC1 485efcd1adae86f39fe7875e7ae45ffa [0,1,0,1,0,0|1,0,0]=3 17783 B13R1.2027 O=C(O)C[C@@H](O)CNCC1CCO1 41250e29fa7836004bed9c6338d5b605 [0,1,0,1,0,0|2,0,0]=4 17784 B13R1.2027 O=C(O)C[C@@H](O)CNCC1COC1 f45021bbf1266ef36366e526263de146 [0,1,0,1,0,0|2,0,0]=4 17785 B13R1.2027 O=C(O)C[C@@H](O)CNC[C@@H]1CCO1 c673a752a4eb24e4cc25105a8a6cf27b [0,1,0,1,0,0|2,0,0]=4 17786 B13R1.2027 O=C(O)C[C@@H](O)CNC[C@H]1CCO1 1c25099a7704d702a1215c2d6ff85732 [0,1,0,1,0,0|2,0,0]=4 17787 B13R1.2027 O=C(O)C[C@H](O)CNCC1CCC1 48af4c79e3eb5d38614d37e0dcc41cee [0,1,0,1,0,0|1,0,0]=3 17788 B13R1.2027 O=C(O)C[C@H](O)CNCC1CCO1 a6f9b43236a2afcdd53795751979e9a0 [0,1,0,1,0,0|2,0,0]=4 17789 B13R1.2027 O=C(O)C[C@H](O)CNCC1COC1 8926027463b698fd7ebecb2f5cf26db1 [0,1,0,1,0,0|2,0,0]=4 17790 B13R1.2027 O=C(O)C[C@H](O)CNC[C@@H]1CCO1 d57cabf82444f1c204addf07cf8fb8a2 [0,1,0,1,0,0|2,0,0]=4 17791 B13R1.2027 O=C(O)C[C@H](O)CNC[C@H]1CCO1 1b1e778dedd018e73066f2ac250c3b1d [0,1,0,1,0,0|2,0,0]=4 17792 B13R1.2028 CC(CC(=O)O)NCCOC1CC1 4a62c16120ffa78ebc76b03c5abf1171 [0,1,0,1,0,0|2,0,0]=4 17793 B13R1.2028 CC(CC(=O)O)OCCOC1CC1 481981425158d74bf5f427adcc4b3b78 [0,1,0,1,0,0|2,0,0]=4 17794 B13R1.2028 CC(CCNCC1CC1)CC(=O)O 65f3d0dbf6c8db2dcca09030188ba897 [0,1,0,1,0,0|1,0,0]=3 17795 B13R1.2028 CC(CCOCC1CC1)CC(=O)O 2f99c3975e0091da398b258f364c9646 [0,1,0,1,0,0|1,0,0]=3 17796 B13R1.2028 CN(CCOCC1CC1)CC(=O)O d0bd953af3a57b438078c1ac88df9794 [0,1,0,1,0,0|2,0,0]=4 17797 B13R1.2028 C[C@@H](CC(=O)O)NCCOC1CC1 53435d130ea14e2f6f65344e1f20d095 [0,1,0,1,0,0|2,0,0]=4 17798 B13R1.2028 C[C@@H](CC(=O)O)OCCOC1CC1 8fe6263e62ee261096627bd20dfbfc6a [0,1,0,1,0,0|2,0,0]=4 17799 B13R1.2028 C[C@H](CC(=O)O)NCCOC1CC1 ac47e593e0b90b8046ad8fb3c5ab0305 [0,1,0,1,0,0|2,0,0]=4 17800 B13R1.2028 C[C@H](CC(=O)O)OCCOC1CC1 36163ec5ffc1813ccb0dc1638654a6e0 [0,1,0,1,0,0|2,0,0]=4 17801 B13R1.2028 O=C(O)CC(=O)CNCCC1CC1 2c0067fabec073751ce73f5a65322a8b [0,1,0,1,0,0|1,0,1]=4 17802 B13R1.2028 O=C(O)CC(=O)COCCC1CC1 5b027416022baa299bfc59576fc52ff6 [0,1,0,1,0,0|1,0,1]=4 17803 B13R1.2028 O=C(O)CC(O)CNCCC1CC1 a649cf60d837ea94ef4c470da1bb1cea [0,1,0,1,0,0|1,0,0]=3 17804 B13R1.2028 O=C(O)C[C@@H](O)CNCCC1CC1 f39dc639f43b8996f23c014de0a3bf9d [0,1,0,1,0,0|1,0,0]=3 17805 B13R1.2028 O=C(O)C[C@H](O)CNCCC1CC1 4327864e488fb28a738649b0ca291204 [0,1,0,1,0,0|1,0,0]=3 17806 B13R1.2433 C#CCCCCN[C@@H]1C[C@@H]1C(=O)O e71f5150c04c5b3c2f0143b55f03bac2 [0,1,0,1,0,0|0,0,2]=4 17807 B13R1.2433 C#CCCCCN[C@H]1C[C@@H]1C(=O)O edab18ce7a1b6d92981d9d6aae5f0ac7 [0,1,0,1,0,0|0,0,2]=4 17808 B13R1.2433 C#CCCCCN[C@H]1C[C@H]1C(=O)O f48f37b32906d1f18df3552b44222848 [0,1,0,1,0,0|0,0,2]=4 17809 B13R1.2433 C#CCCCCO[C@@H]1C[C@@H]1C(=O)O 234c5279453c165ed2a3b0415f1a31fb [0,1,0,1,0,0|0,0,2]=4 17810 B13R1.2433 C#CCCCCO[C@H]1C[C@@H]1C(=O)O 77969f3e6ca739d44f74735063e3b3be [0,1,0,1,0,0|0,0,2]=4 17811 B13R1.2433 C#CCCCCO[C@H]1C[C@H]1C(=O)O 5b771eb51509a4489b23fad06c166935 [0,1,0,1,0,0|0,0,2]=4 17812 B13R1.2433 C#CCCCNCC1CC1C(=O)O 9e9c05b48f0ed2eba7f6666f614c3e3d [0,1,0,1,0,0|0,0,2]=4 17813 B13R1.2433 C#CCCCNC[C@@H]1C[C@H]1C(=O)O 1be1bfffa7ab593a24123358a135f6c1 [0,1,0,1,0,0|0,0,2]=4 17814 B13R1.2433 C#CCCCOCC1CC1C(=O)O 04a0224343b33d5e3da343c49806fb42 [0,1,0,1,0,0|0,0,2]=4 17815 B13R1.2433 C#CCCCOC[C@@H]1C[C@H]1C(=O)O 17d1be851ae2e9cd65556524546cfbc0 [0,1,0,1,0,0|0,0,2]=4 17816 B13R1.2433 C#CCCCOC[C@H]1C[C@@H]1C(=O)O 24ef43a9f58b966354c693394120911d [0,1,0,1,0,0|0,0,2]=4 17817 B13R1.2433 C#CCCCOC[C@H]1C[C@H]1C(=O)O 132aeef2f8dac854e05c9eee2bb3e8b3 [0,1,0,1,0,0|0,0,2]=4 17818 B13R1.2433 C/C=C/CCCO[C@@H]1C[C@@H]1C(=O)O dd1570d8608d669b07f9a9e638f5e565 [0,1,0,1,0,0|0,0,2]=4 17819 B13R1.2433 C/C=C/CCCO[C@H]1C[C@@H]1C(=O)O 10c560f549aa472003dc4f8dfe475fa1 [0,1,0,1,0,0|0,0,2]=4 17820 B13R1.2433 C/C=C/CCCO[C@H]1C[C@H]1C(=O)O 3fc3b2e43b788eac2407004afc3d58a3 [0,1,0,1,0,0|0,0,2]=4 17821 B13R1.2433 C/C=C/CCOCC1CC1C(=O)O 5bb0c681d29bd4ec5b75bf1cbe8c7b8a [0,1,0,1,0,0|0,0,2]=4 17822 B13R1.2433 C/C=C/CCOC[C@@H]1C[C@H]1C(=O)O ee7883f38d3fdbe37bcfcf96fa6f3d34 [0,1,0,1,0,0|0,0,2]=4 17823 B13R1.2433 C/C=C\CCCO[C@@H]1C[C@@H]1C(=O)O f784b1a013c55d74df343c02326bc906 [0,1,0,1,0,0|0,0,2]=4 17824 B13R1.2433 C/C=C\CCCO[C@H]1C[C@@H]1C(=O)O df28a56a0f2abaeeaa636e7b8956e323 [0,1,0,1,0,0|0,0,2]=4 17825 B13R1.2433 C/C=C\CCCO[C@H]1C[C@H]1C(=O)O 0078495aa45c47fe7244452ffb7a4a86 [0,1,0,1,0,0|0,0,2]=4 17826 B13R1.2433 C=CCCCCN[C@@H]1C[C@@H]1C(=O)O dcb8fca0612efc96c2722d8c4bb7aae4 [0,1,0,1,0,0|0,0,2]=4 17827 B13R1.2433 C=CCCCCN[C@H]1C[C@@H]1C(=O)O 4502d8bf015ff9f9f5e1c67787caf8d3 [0,1,0,1,0,0|0,0,2]=4 17828 B13R1.2433 C=CCCCCN[C@H]1C[C@H]1C(=O)O 430c1de69f62ec9f2cfe6d3ac3346558 [0,1,0,1,0,0|0,0,2]=4 17829 B13R1.2433 C=CCCCCO[C@@H]1C[C@@H]1C(=O)O 10a7dacaca21c9774a0e7c50aaa106bd [0,1,0,1,0,0|0,0,2]=4 17830 B13R1.2433 C=CCCCCO[C@H]1C[C@@H]1C(=O)O 83e5048caa7b73e56435222cc76a0383 [0,1,0,1,0,0|0,0,2]=4 17831 B13R1.2433 C=CCCCCO[C@H]1C[C@H]1C(=O)O 547e7e5fe1d8fff4bd2918b96ee7bcfd [0,1,0,1,0,0|0,0,2]=4 17832 B13R1.2433 C=CCCCNCC1CC1C(=O)O 9f16357a41ef27197cc67272dd65edaa [0,1,0,1,0,0|0,0,2]=4 17833 B13R1.2433 C=CCCCNC[C@@H]1C[C@H]1C(=O)O e6faa98ba9d178584ff5ba6ea89912cd [0,1,0,1,0,0|0,0,2]=4 17834 B13R1.2433 C=CCCCOCC1CC1C(=O)O caa5f7279b0d3bcbdfb50fa4f0830106 [0,1,0,1,0,0|0,0,2]=4 17835 B13R1.2433 C=CCCCOC[C@@H]1C[C@H]1C(=O)O fe22e018e8a74fe80f395c7f2a6202d2 [0,1,0,1,0,0|0,0,2]=4 17836 B13R1.2433 C=CCCCOC[C@H]1C[C@@H]1C(=O)O e686a438be247a655b856ceb9f3f7eff [0,1,0,1,0,0|0,0,2]=4 17837 B13R1.2433 C=CCCCOC[C@H]1C[C@H]1C(=O)O 56246124ab3157a851196ad9c8d353aa [0,1,0,1,0,0|0,0,2]=4 17838 B13R1.2433 CC#CCCCO[C@@H]1C[C@@H]1C(=O)O 7d8f7db6d34d059e01d6ff911fa1fd28 [0,1,0,1,0,0|0,0,2]=4 17839 B13R1.2433 CC#CCCCO[C@H]1C[C@@H]1C(=O)O 9658b91c7825665b9313b7e3e9372de3 [0,1,0,1,0,0|0,0,2]=4 17840 B13R1.2433 CC#CCCCO[C@H]1C[C@H]1C(=O)O 4756f92e8f8852b6265d4e6653bbd133 [0,1,0,1,0,0|0,0,2]=4 17841 B13R1.2433 CC#CCCOCC1CC1C(=O)O a0a2b07e7de7d8375f11f14814b03486 [0,1,0,1,0,0|0,0,2]=4 17842 B13R1.2433 CC#CCCOC[C@@H]1C[C@H]1C(=O)O e774f0906269dab5c420b70a6263fc78 [0,1,0,1,0,0|0,0,2]=4 17843 B13R1.2433 CC/C=C/CCO[C@@H]1C[C@@H]1C(=O)O a3b89de92d28cfb1e388d497acddd095 [0,1,0,1,0,0|0,0,2]=4 17844 B13R1.2433 CC/C=C/CCO[C@H]1C[C@@H]1C(=O)O 8664654cb0052cb528f18158b485ac64 [0,1,0,1,0,0|0,0,2]=4 17845 B13R1.2433 CC/C=C/CCO[C@H]1C[C@H]1C(=O)O adcbb09bfece7fe3e3b9bbc3ab520176 [0,1,0,1,0,0|0,0,2]=4 17846 B13R1.2433 CC/C=C/CNC[C@@H]1C[C@H]1C(=O)O cb864838645132c63bde3f839f3a7a14 [0,1,0,1,0,0|0,0,2]=4 17847 B13R1.2433 CC/C=C/COCC1CC1C(=O)O 171d5d00bfbfa0a2f7846cbc69bab019 [0,1,0,1,0,0|0,0,2]=4 17848 B13R1.2433 CC/C=C/COC[C@@H]1C[C@H]1C(=O)O 392376f12232d48aa4996ec1c9b9be21 [0,1,0,1,0,0|0,0,2]=4 17849 B13R1.2433 CC/C=C/COC[C@H]1C[C@@H]1C(=O)O efb0a42149b149194a207af08b4f37e9 [0,1,0,1,0,0|0,0,2]=4 17850 B13R1.2433 CC/C=C/COC[C@H]1C[C@H]1C(=O)O fb2231a2036e28876300fc8770dfe04c [0,1,0,1,0,0|0,0,2]=4 17851 B13R1.2433 CC/C=C\CCO[C@@H]1C[C@@H]1C(=O)O d95420fa06ce4b13761563c70bb9c424 [0,1,0,1,0,0|0,0,2]=4 17852 B13R1.2433 CC/C=C\CCO[C@H]1C[C@@H]1C(=O)O 7785520fea95f088b9c9af3cb843f037 [0,1,0,1,0,0|0,0,2]=4 17853 B13R1.2433 CC/C=C\CCO[C@H]1C[C@H]1C(=O)O 13ec1b454d9a1c5cbcb204db7be60289 [0,1,0,1,0,0|0,0,2]=4 17854 B13R1.2433 CC/C=C\COCC1CC1C(=O)O 19fcbc34ab3536aa9fa039ec166784ac [0,1,0,1,0,0|0,0,2]=4 17855 B13R1.2433 CC/C=C\COC[C@@H]1C[C@H]1C(=O)O b05e2c838ce486235474d5496ae593b6 [0,1,0,1,0,0|0,0,2]=4 17856 B13R1.2433 CC=CCCCO[C@@H]1C[C@@H]1C(=O)O b56b8849a78b0b4d067d52b1237d5c54 [0,1,0,1,0,0|0,0,2]=4 17857 B13R1.2433 CC=CCCCO[C@H]1C[C@@H]1C(=O)O eb6cfa40f6fdd7735fadfd1e2cde8467 [0,1,0,1,0,0|0,0,2]=4 17858 B13R1.2433 CC=CCCCO[C@H]1C[C@H]1C(=O)O a41f3941202fb31f39efe9d33804eb62 [0,1,0,1,0,0|0,0,2]=4 17859 B13R1.2433 CCC#CCCO[C@@H]1C[C@@H]1C(=O)O d35505aa6df1e0bc439938925cee6993 [0,1,0,1,0,0|0,0,2]=4 17860 B13R1.2433 CCC#CCCO[C@H]1C[C@@H]1C(=O)O 15d1de00fe8919de0e2980390aa649c1 [0,1,0,1,0,0|0,0,2]=4 17861 B13R1.2433 CCC#CCCO[C@H]1C[C@H]1C(=O)O e6a0ec139a93c917b7c760ea2879615c [0,1,0,1,0,0|0,0,2]=4 17862 B13R1.2433 CCC#CCOCC1CC1C(=O)O d78e81945aee867b89551f87a30068a7 [0,1,0,1,0,0|0,0,2]=4 17863 B13R1.2433 CCC#CCOC[C@@H]1C[C@H]1C(=O)O bd1f8c5c3985dc63b2dbff66af39240c [0,1,0,1,0,0|0,0,2]=4 17864 B13R1.2433 CCC/C=C/CO[C@@H]1C[C@@H]1C(=O)O 70c1481dfd6c561d8d4eeca4fafadd44 [0,1,0,1,0,0|0,0,2]=4 17865 B13R1.2433 CCC/C=C/CO[C@H]1C[C@@H]1C(=O)O deedefd587eb42e0505c1fdd93483677 [0,1,0,1,0,0|0,0,2]=4 17866 B13R1.2433 CCC/C=C/CO[C@H]1C[C@H]1C(=O)O 0147cab46db905e78f173a9d84730266 [0,1,0,1,0,0|0,0,2]=4 17867 B13R1.2433 CCC/C=C\CO[C@@H]1C[C@@H]1C(=O)O 66e1e1c92169e3bfcc3b1cab4665bb27 [0,1,0,1,0,0|0,0,2]=4 17868 B13R1.2433 CCC/C=C\CO[C@H]1C[C@@H]1C(=O)O 23ea6f9e6430b066280cf54bbd242a03 [0,1,0,1,0,0|0,0,2]=4 17869 B13R1.2433 CCC/C=C\CO[C@H]1C[C@H]1C(=O)O bca5c63d5dd0e969c6426889c855ebec [0,1,0,1,0,0|0,0,2]=4 17870 B13R1.2433 CCCC#CCO[C@@H]1C[C@@H]1C(=O)O e5a986b426be67b8d8d91b00cf6f1196 [0,1,0,1,0,0|0,0,2]=4 17871 B13R1.2433 CCCC#CCO[C@H]1C[C@@H]1C(=O)O 46850787ecc5ec730de2b6377f5b63c7 [0,1,0,1,0,0|0,0,2]=4 17872 B13R1.2433 CCCC#CCO[C@H]1C[C@H]1C(=O)O 555f2c13995c7d4e71cdbe77b234e376 [0,1,0,1,0,0|0,0,2]=4 17873 B13R1.2433 CCCCCCN[C@@H]1C[C@@H]1C(=O)O 3eb3af4d5dadaf5c317fdf90f20cab6a [0,1,0,1,0,0|0,0,0]=2 17874 B13R1.2433 CCCCCCN[C@H]1C[C@@H]1C(=O)O 9549dc6a40d8ff8d17b0ff26f6446456 [0,1,0,1,0,0|0,0,0]=2 17875 B13R1.2433 CCCCCCN[C@H]1C[C@H]1C(=O)O d31a9b424e9bb9339bb61342076b58b4 [0,1,0,1,0,0|0,0,0]=2 17876 B13R1.2433 CCCCCCO[C@@H]1C[C@@H]1C(=O)O 92a5ce71c43cc089a1896a7210a0551c [0,1,0,1,0,0|0,0,0]=2 17877 B13R1.2433 CCCCCCO[C@H]1C[C@@H]1C(=O)O 8f176b5ea38b3e12c25f50b87653aa5f [0,1,0,1,0,0|0,0,0]=2 17878 B13R1.2433 CCCCCCO[C@H]1C[C@H]1C(=O)O 44ed97762d956099dd05cafc6350983e [0,1,0,1,0,0|0,0,0]=2 17879 B13R1.2433 CCCCCNCC1CC1C(=O)O bc2bce834246f8c73407a3c734d0de8d [0,1,0,1,0,0|0,0,0]=2 17880 B13R1.2433 CCCCCNC[C@@H]1C[C@H]1C(=O)O fbb8e679ebb26e1ae2d432955c331595 [0,1,0,1,0,0|0,0,0]=2 17881 B13R1.2433 CCCCCOCC1CC1C(=O)O abecabf4ac22cc07c3b3889a8b4b00e4 [0,1,0,1,0,0|0,0,0]=2 17882 B13R1.2433 CCCCCOC[C@@H]1C[C@H]1C(=O)O 8b205a62c0d1d6ec32ee81d0ae062b4c [0,1,0,1,0,0|0,0,0]=2 17883 B13R1.2433 CCCCCOC[C@H]1C[C@@H]1C(=O)O c486800046bf6e3294d2b7532fd0dcb5 [0,1,0,1,0,0|0,0,0]=2 17884 B13R1.2433 CCCCCOC[C@H]1C[C@H]1C(=O)O 58470869c5c6d63b72f0eb2e342e411e [0,1,0,1,0,0|0,0,0]=2 17885 B13R1.2433 CCCOCCN[C@@H]1C[C@@H]1C(=O)O 0c0b2152255efca050da8e78b7f01353 [0,1,0,1,0,0|1,0,0]=3 17886 B13R1.2433 CCCOCCN[C@H]1C[C@@H]1C(=O)O 4254a39179106dc9c6d69e0d578b3bb8 [0,1,0,1,0,0|1,0,0]=3 17887 B13R1.2433 CCCOCCN[C@H]1C[C@H]1C(=O)O 35fc8f61de17e69b66d223bc385b8f7e [0,1,0,1,0,0|1,0,0]=3 17888 B13R1.2433 CCCOCCO[C@@H]1C[C@@H]1C(=O)O 75bd721e95110018aba58ae47b9e352e [0,1,0,1,0,0|1,0,0]=3 17889 B13R1.2433 CCCOCCO[C@H]1C[C@@H]1C(=O)O fb858c7713f8a42321d06043140cddce [0,1,0,1,0,0|1,0,0]=3 17890 B13R1.2433 CCCOCCO[C@H]1C[C@H]1C(=O)O be4cc0c78239932f9524b71ef8b14963 [0,1,0,1,0,0|1,0,0]=3 17891 B13R1.2433 CCCSCCO[C@@H]1C[C@@H]1C(=O)O a6bd0c3f5eeb58c5d97a3c9ebceffae7 [0,1,0,1,0,0|1,0,0]=3 17892 B13R1.2433 CCCSCCO[C@H]1C[C@@H]1C(=O)O 1e66bd606c13d76974c739bb2f2719db [0,1,0,1,0,0|1,0,0]=3 17893 B13R1.2433 CCCSCCO[C@H]1C[C@H]1C(=O)O 2602fc4e1bf08e7635f85bca1911158e [0,1,0,1,0,0|1,0,0]=3 17894 B13R1.2433 CCOCCCN[C@@H]1C[C@@H]1C(=O)O e836ff01790b4447f1f13c7c5f497208 [0,1,0,1,0,0|1,0,0]=3 17895 B13R1.2433 CCOCCCN[C@H]1C[C@@H]1C(=O)O 309473f3bd2248d9eeb4eec529cffa6b [0,1,0,1,0,0|1,0,0]=3 17896 B13R1.2433 CCOCCCN[C@H]1C[C@H]1C(=O)O 512d90309aa7a8012906c73fa5ca672d [0,1,0,1,0,0|1,0,0]=3 17897 B13R1.2433 CCOCCCO[C@@H]1C[C@@H]1C(=O)O 04393a24d3fcc07bc3bc75493642550a [0,1,0,1,0,0|1,0,0]=3 17898 B13R1.2433 CCOCCCO[C@H]1C[C@@H]1C(=O)O 3a01d202fd3c6ed3bbd968920786ba94 [0,1,0,1,0,0|1,0,0]=3 17899 B13R1.2433 CCOCCCO[C@H]1C[C@H]1C(=O)O d6924281475b34a082ec0d68437bc1e1 [0,1,0,1,0,0|1,0,0]=3 17900 B13R1.2433 CCOCCNCC1CC1C(=O)O 19eb0a89821825a225d5d2db26551aef [0,1,0,1,0,0|1,0,0]=3 17901 B13R1.2433 CCOCCNC[C@@H]1C[C@H]1C(=O)O d2a196be452e27679861a2b6a0438c24 [0,1,0,1,0,0|1,0,0]=3 17902 B13R1.2433 CCOCCOCC1CC1C(=O)O b8315a857038d1f1affdeed7a179a6a2 [0,1,0,1,0,0|1,0,0]=3 17903 B13R1.2433 CCOCCOC[C@@H]1C[C@H]1C(=O)O d30b73e031dd4747f0c29e0bd239d869 [0,1,0,1,0,0|1,0,0]=3 17904 B13R1.2433 CCOCCOC[C@H]1C[C@@H]1C(=O)O 12aa0c6f10d84c7471e2d085d481628a [0,1,0,1,0,0|1,0,0]=3 17905 B13R1.2433 CCOCCOC[C@H]1C[C@H]1C(=O)O f20e27f68af54bd2bf8901fe8016d45e [0,1,0,1,0,0|1,0,0]=3 17906 B13R1.2433 CCSCCCO[C@@H]1C[C@@H]1C(=O)O a7260c4413795e9ca410ca176c7cbe82 [0,1,0,1,0,0|1,0,0]=3 17907 B13R1.2433 CCSCCCO[C@H]1C[C@@H]1C(=O)O 5f9f0336e48e312b20c66b403f3e758f [0,1,0,1,0,0|1,0,0]=3 17908 B13R1.2433 CCSCCCO[C@H]1C[C@H]1C(=O)O 1194b709b2cb28986fb6b9c01e303471 [0,1,0,1,0,0|1,0,0]=3 17909 B13R1.2433 CCSCCNCC1CC1C(=O)O 54da7a427550991620e7da1c90ad10cd [0,1,0,1,0,0|1,0,0]=3 17910 B13R1.2433 CCSCCNC[C@@H]1C[C@H]1C(=O)O b9cd1c4763f6a883dea1faf4c112e801 [0,1,0,1,0,0|1,0,0]=3 17911 B13R1.2433 CCSCCOCC1CC1C(=O)O abbdb35243febdb7d1fbac31c3b3c708 [0,1,0,1,0,0|1,0,0]=3 17912 B13R1.2433 CCSCCOC[C@@H]1C[C@H]1C(=O)O af2d8271ec39200ef1daed8b550dc26e [0,1,0,1,0,0|1,0,0]=3 17913 B13R1.2433 CCSCCOC[C@H]1C[C@@H]1C(=O)O b365b16341d209a88b9cff02a247d358 [0,1,0,1,0,0|1,0,0]=3 17914 B13R1.2433 CCSCCOC[C@H]1C[C@H]1C(=O)O 030bf4c0c2ca0a64bdb8b0a23b024810 [0,1,0,1,0,0|1,0,0]=3 17915 B13R1.2433 COCCCCN[C@@H]1C[C@@H]1C(=O)O ff4777d713c5d0ca37360566661ecea6 [0,1,0,1,0,0|1,0,0]=3 17916 B13R1.2433 COCCCCN[C@H]1C[C@@H]1C(=O)O 44e05217840227e3308fc518392eeceb [0,1,0,1,0,0|1,0,0]=3 17917 B13R1.2433 COCCCCN[C@H]1C[C@H]1C(=O)O f12515e575bc9fd7710521ea1579801c [0,1,0,1,0,0|1,0,0]=3 17918 B13R1.2433 COCCCCO[C@@H]1C[C@@H]1C(=O)O 51d36ac38ffaf8a4046e4d45973ce168 [0,1,0,1,0,0|1,0,0]=3 17919 B13R1.2433 COCCCCO[C@H]1C[C@@H]1C(=O)O d576a4284e391e19a6a39a07d6ecb07b [0,1,0,1,0,0|1,0,0]=3 17920 B13R1.2433 COCCCCO[C@H]1C[C@H]1C(=O)O 2586e792708e9c23747791a37f6a01b2 [0,1,0,1,0,0|1,0,0]=3 17921 B13R1.2433 COCCCNCC1CC1C(=O)O c9c30dafbc42f9a8c9f93c7548c21969 [0,1,0,1,0,0|1,0,0]=3 17922 B13R1.2433 COCCCNC[C@@H]1C[C@H]1C(=O)O 370aae7a23f9a38aa992a13b73ef6508 [0,1,0,1,0,0|1,0,0]=3 17923 B13R1.2433 COCCCOCC1CC1C(=O)O 2e7894dc496c557bf9122858b600630d [0,1,0,1,0,0|1,0,0]=3 17924 B13R1.2433 COCCCOC[C@@H]1C[C@H]1C(=O)O 47c29d761da33b6dc143cc0f1513d6d9 [0,1,0,1,0,0|1,0,0]=3 17925 B13R1.2433 COCCCOC[C@H]1C[C@@H]1C(=O)O cdfb32b8fd82ff7a63629fcfd5d86fa3 [0,1,0,1,0,0|1,0,0]=3 17926 B13R1.2433 COCCCOC[C@H]1C[C@H]1C(=O)O 0108dc19094668fad7a5df448b0259dc [0,1,0,1,0,0|1,0,0]=3 17927 B13R1.2433 CSCCCCN[C@@H]1C[C@@H]1C(=O)O 99e0bd9a90190d33b3c141632611e02d [0,1,0,1,0,0|1,0,0]=3 17928 B13R1.2433 CSCCCCN[C@H]1C[C@@H]1C(=O)O 50176f0d0a06d6c560a066ebf00a4a22 [0,1,0,1,0,0|1,0,0]=3 17929 B13R1.2433 CSCCCCN[C@H]1C[C@H]1C(=O)O 971a6dd19c8f6a5d1b51bbfab6a7e8b8 [0,1,0,1,0,0|1,0,0]=3 17930 B13R1.2433 CSCCCCO[C@@H]1C[C@@H]1C(=O)O e553bea94385375cebc55a3cdd4e1521 [0,1,0,1,0,0|1,0,0]=3 17931 B13R1.2433 CSCCCCO[C@H]1C[C@@H]1C(=O)O 6f50fe37c4ecca7566d0e4d9bf4d6f28 [0,1,0,1,0,0|1,0,0]=3 17932 B13R1.2433 CSCCCCO[C@H]1C[C@H]1C(=O)O 088a6d5729e4fe72b872911e0fb95c44 [0,1,0,1,0,0|1,0,0]=3 17933 B13R1.2433 CSCCCNCC1CC1C(=O)O a47ce5201718f4f3f03489c1515d8b94 [0,1,0,1,0,0|1,0,0]=3 17934 B13R1.2433 CSCCCNC[C@@H]1C[C@H]1C(=O)O 70ecf0ec2316baa77ce7d394e0236ddc [0,1,0,1,0,0|1,0,0]=3 17935 B13R1.2433 CSCCCOCC1CC1C(=O)O 215f3a2b6aa317618f1a2f0673d135f9 [0,1,0,1,0,0|1,0,0]=3 17936 B13R1.2433 CSCCCOC[C@@H]1C[C@H]1C(=O)O eb070d2b4b3404e1d9a9cbed37324fd3 [0,1,0,1,0,0|1,0,0]=3 17937 B13R1.2433 CSCCCOC[C@H]1C[C@@H]1C(=O)O b8affd5775773f537895e6704a3aecfe [0,1,0,1,0,0|1,0,0]=3 17938 B13R1.2433 CSCCCOC[C@H]1C[C@H]1C(=O)O 034f02819515b046a39a7266d668f7c2 [0,1,0,1,0,0|1,0,0]=3 17939 B13R1.2433 N#CCCCCN[C@@H]1C[C@@H]1C(=O)O d5d407f1801723980aaa034083fedee9 [0,1,0,1,0,0|1,0,1]=4 17940 B13R1.2433 N#CCCCCN[C@H]1C[C@@H]1C(=O)O 2a902f2943e6ff24d8969ad03ac53567 [0,1,0,1,0,0|1,0,1]=4 17941 B13R1.2433 N#CCCCCN[C@H]1C[C@H]1C(=O)O 27fedfc043ddd4f07fb10938856e0dcd [0,1,0,1,0,0|1,0,1]=4 17942 B13R1.2433 N#CCCCCO[C@@H]1C[C@@H]1C(=O)O b9e9aa3f377eaedb81c70ac96f5ec07d [0,1,0,1,0,0|1,0,1]=4 17943 B13R1.2433 N#CCCCCO[C@H]1C[C@@H]1C(=O)O ecc319fb9b12bff766cf8c74210039ec [0,1,0,1,0,0|1,0,1]=4 17944 B13R1.2433 N#CCCCCO[C@H]1C[C@H]1C(=O)O e52b5d8f3e8a914e03e68011ee1ddde6 [0,1,0,1,0,0|1,0,1]=4 17945 B13R1.2433 N#CCCCNCC1CC1C(=O)O 23942568ba6b707736e18e7062b0b479 [0,1,0,1,0,0|1,0,1]=4 17946 B13R1.2433 N#CCCCNC[C@@H]1C[C@H]1C(=O)O aa3d9c5782c8f9550407a644e80079ba [0,1,0,1,0,0|1,0,1]=4 17947 B13R1.2433 N#CCCCOCC1CC1C(=O)O 515f4a5d942534b9279542c790b09304 [0,1,0,1,0,0|1,0,1]=4 17948 B13R1.2433 N#CCCCOC[C@@H]1C[C@H]1C(=O)O 848d83b091489bc4fea7c70725246864 [0,1,0,1,0,0|1,0,1]=4 17949 B13R1.2433 N#CCCCOC[C@H]1C[C@@H]1C(=O)O a78d36333662c1cdd699fdd3ce1c5253 [0,1,0,1,0,0|1,0,1]=4 17950 B13R1.2433 N#CCCCOC[C@H]1C[C@H]1C(=O)O 9207379fa54e708c3bd155a9ba7bc754 [0,1,0,1,0,0|1,0,1]=4 17951 B13R1.2433 O=C(O)C1CC1CNCCCCCl 9e6e664274f201c4d6bcb95e409aa0a9 [0,1,0,1,0,0|1,0,0]=3 17952 B13R1.2433 O=C(O)C1CC1CNCCCCO 64bb89707fff0605f9c06846a40b423b [0,1,0,1,0,0|1,0,0]=3 17953 B13R1.2433 O=C(O)C1CC1CNCCCCS f8398139572362c39b49eea6f4bff5ac [0,1,0,1,0,0|1,0,0]=3 17954 B13R1.2433 O=C(O)C1CC1COCCCCF 886eb93e16f50e4c1a03b2141088387b [0,1,0,1,0,0|1,0,0]=3 17955 B13R1.2433 O=C(O)C1CC1COCCCCS 2e6a7734d4aa478a3734dcbd7da48a79 [0,1,0,1,0,0|1,0,0]=3 17956 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1COCCCCF 2d6c54f9a5b7b6348638920482e9ed1d [0,1,0,1,0,0|1,0,0]=3 17957 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCCCCCl e96bcd1c61edb36640d7bf602e713290 [0,1,0,1,0,0|1,0,0]=3 17958 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCCCCO 464604d16b729014f266a34dafb09b78 [0,1,0,1,0,0|1,0,0]=3 17959 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCOCCO a02daafb4dfde372657abba92acb68e6 [0,1,0,1,0,0|2,0,0]=4 17960 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCOCCS f22e76f72892a944c0fc664a2326e71b [0,1,0,1,0,0|2,0,0]=4 17961 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1NCCSCCO 60531332e428e7f9d3ed4e58843b55ff [0,1,0,1,0,0|2,0,0]=4 17962 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1OCCOCCF f78fc538ae416916a2779f68388ea9b8 [0,1,0,1,0,0|2,0,0]=4 17963 B13R1.2433 O=C(O)[C@@H]1C[C@@H]1OCCOCCS 02b02474de1e53fb273a737402b5693a [0,1,0,1,0,0|2,0,0]=4 17964 B13R1.2433 O=C(O)[C@@H]1C[C@H]1CNCCCCCl 4031e8c56266e7a62b29cce03035d259 [0,1,0,1,0,0|1,0,0]=3 17965 B13R1.2433 O=C(O)[C@@H]1C[C@H]1CNCCCCF f5332d3bd512eea1d33699132bb8516b [0,1,0,1,0,0|1,0,0]=3 17966 B13R1.2433 O=C(O)[C@@H]1C[C@H]1CNCCCCO 18ef9d09211cbb0e2ae0497fbdb04be4 [0,1,0,1,0,0|1,0,0]=3 17967 B13R1.2433 O=C(O)[C@@H]1C[C@H]1CNCCCCS 8c30d4bcbbd6fcc68cc23c841d982b75 [0,1,0,1,0,0|1,0,0]=3 17968 B13R1.2433 O=C(O)[C@@H]1C[C@H]1COCCCCF dcd3b14701849241c633c89b9e038162 [0,1,0,1,0,0|1,0,0]=3 17969 B13R1.2433 O=C(O)[C@@H]1C[C@H]1COCCCCS 55d856fdb2a07d3e00cd588f2c31434f [0,1,0,1,0,0|1,0,0]=3 17970 B13R1.2433 O=C(O)[C@H]1C[C@@H]1COCCCCF cfe767847e3c8e962e08ca2ad714295d [0,1,0,1,0,0|1,0,0]=3 17971 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCCCCCl 69786113e7a41108f905b9bfc41f2ba4 [0,1,0,1,0,0|1,0,0]=3 17972 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCCCCO 6d633d6824e70ea2e72c4e1cc0cefaa3 [0,1,0,1,0,0|1,0,0]=3 17973 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCOCCO 6ab78f4a325052c8b5babce1024b0993 [0,1,0,1,0,0|2,0,0]=4 17974 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCOCCS 278c1b47d7a3e418392eacfa77e52f2f [0,1,0,1,0,0|2,0,0]=4 17975 B13R1.2433 O=C(O)[C@H]1C[C@@H]1NCCSCCO 9002607c51404bee4082c252f81f154a [0,1,0,1,0,0|2,0,0]=4 17976 B13R1.2433 O=C(O)[C@H]1C[C@@H]1OCCOCCF 65976b7c48e94bc648ab895e985a27c4 [0,1,0,1,0,0|2,0,0]=4 17977 B13R1.2433 O=C(O)[C@H]1C[C@@H]1OCCOCCS 1f76a29cff9cfee8db372cead5ab8786 [0,1,0,1,0,0|2,0,0]=4 17978 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCCCCCl 47bd5f0663403bef08952b34c9a52dbf [0,1,0,1,0,0|1,0,0]=3 17979 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCCCCO c7d5d5537f45ecfd3b0e6ccd71784c28 [0,1,0,1,0,0|1,0,0]=3 17980 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCOCCO be4f81dce0728347d57cbc281ea3e4bf [0,1,0,1,0,0|2,0,0]=4 17981 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCOCCS b8422be646575fd8db4deea25d95ea6f [0,1,0,1,0,0|2,0,0]=4 17982 B13R1.2433 O=C(O)[C@H]1C[C@H]1NCCSCCO 07e1ad63e3aba9bab13519638bc5b825 [0,1,0,1,0,0|2,0,0]=4 17983 B13R1.2433 O=C(O)[C@H]1C[C@H]1OCCOCCF f4a292f4b774ce7e7e29815311d3e921 [0,1,0,1,0,0|2,0,0]=4 17984 B13R1.2433 O=C(O)[C@H]1C[C@H]1OCCOCCS 169db8e01186019149850fd0fc45c883 [0,1,0,1,0,0|2,0,0]=4 17985 B13R1.2433 O=CCCCCO[C@@H]1C[C@@H]1C(=O)O 4955ae97ed67de98c7f214ac623a625f [0,1,0,1,0,0|1,0,1]=4 17986 B13R1.2433 O=CCCCCO[C@H]1C[C@@H]1C(=O)O 3e8fcf8fcdf4732da388b285a2896485 [0,1,0,1,0,0|1,0,1]=4 17987 B13R1.2433 O=CCCCCO[C@H]1C[C@H]1C(=O)O 3ad45df472255fd3086329d174d08383 [0,1,0,1,0,0|1,0,1]=4 17988 B13R1.2433 O=CCCCNC[C@@H]1C[C@H]1C(=O)O 81013a7b56b81495be5a235d5cc859c6 [0,1,0,1,0,0|1,0,1]=4 17989 B13R1.2433 O=CCCCOCC1CC1C(=O)O 14f681db2d4200b01524ba688ca3e851 [0,1,0,1,0,0|1,0,1]=4 17990 B13R1.2433 O=CCCCOC[C@@H]1C[C@H]1C(=O)O d8566364cfb4be1bfefdba8d05ba0246 [0,1,0,1,0,0|1,0,1]=4 17991 B13R1.2433 O=CCCCOC[C@H]1C[C@@H]1C(=O)O 89e42c09d2bc2d8fa0157a3683f54b6a [0,1,0,1,0,0|1,0,1]=4 17992 B13R1.2433 O=CCCCOC[C@H]1C[C@H]1C(=O)O 0802f9bf8bf13391aa931e9899d0f384 [0,1,0,1,0,0|1,0,1]=4 17993 B13R1.2790 CC(CCNC1CC1C)CC(=O)O c3436eb97d8aa54efe7f50d28df23a0f [0,1,0,1,0,0|1,0,0]=3 17994 B13R1.2790 CC(CCN[C@@H]1C[C@H]1F)CC(=O)O 9f30bd295bdaa299ce6fc7dcc5900049 [0,1,0,1,0,0|2,0,0]=4 17995 B13R1.2790 CC(CCN[C@H]1C[C@@H]1F)CC(=O)O a895f587e526a8f8da752655baf6e8f8 [0,1,0,1,0,0|2,0,0]=4 17996 B13R1.2790 CC(CCN[C@H]1C[C@H]1F)CC(=O)O 795700b817df8b432385ae7f511d6788 [0,1,0,1,0,0|2,0,0]=4 17997 B13R1.2790 CC1CC1COCC(=O)CC(=O)O 6cb83ee2b8673dc170adaa8ad6928a0a [0,1,0,1,0,0|1,0,1]=4 17998 B13R1.2790 C[C@@H]1C[C@H]1COCC(=O)CC(=O)O a155dde742d9013d779927139dab9338 [0,1,0,1,0,0|1,0,1]=4 17999 B13R1.2790 C[C@H]1C[C@@H]1COCC(=O)CC(=O)O 02c543f11326bc7d1655eae85b3a815f [0,1,0,1,0,0|1,0,1]=4 18000 B13R1.2790 C[C@H]1C[C@H]1COCC(=O)CC(=O)O df9a8a133e900fdba6faaedbf2a2d564 [0,1,0,1,0,0|1,0,1]=4 18001 B13R1.2800 CC(CC(=O)O)N1CCCC1CO 7091fa6ccf4085538043b30807cdd426 [0,1,0,1,0,0|2,0,0]=4 18002 B13R1.2800 CC(CC(=O)O)N1CCC[C@@H]1CF d61e43e949e6f4d0c854506bd96a9811 [0,1,0,1,0,0|2,0,0]=4 18003 B13R1.2800 CC(CC(=O)O)N1CCC[C@@H]1CO 03ad2503dd0e98c614f76a48612aaf79 [0,1,0,1,0,0|2,0,0]=4 18004 B13R1.2800 CC(CC(=O)O)N1CCC[C@H]1CF d86c15bb38469b7032a88e8150bf2acc [0,1,0,1,0,0|2,0,0]=4 18005 B13R1.2800 CC(CC(=O)O)N1CCC[C@H]1CO dbd9c1b3ec09207b9cebffd524f527b7 [0,1,0,1,0,0|2,0,0]=4 18006 B13R1.2800 CCC1CCCN1C(C)CC(=O)O 8362eaf3d9248b9433e1fbc408fce617 [0,1,0,1,0,0|1,0,0]=3 18007 B13R1.2800 CC[C@@H]1CCCN1C(C)CC(=O)O 025053635b8e5bfa43b5447d48f29cc5 [0,1,0,1,0,0|1,0,0]=3 18008 B13R1.2804 CCC1CCN1CC(=O)CC(=O)O 54fe28eda23b4f7717ae95e647fac77e [0,1,0,1,0,0|1,0,1]=4 18009 B13R1.2804 COC1CCC1NC(C)CC(=O)O 9d684748dcfc2890c3748676b69e1236 [0,1,0,1,0,0|2,0,0]=4 18010 B13R1.2804 CO[C@@H]1CC[C@@H]1NC(C)CC(=O)O 4b9c208067e6b59d8b8aaa13561252e5 [0,1,0,1,0,0|2,0,0]=4 18011 B13R1.2804 CO[C@@H]1CC[C@H]1NC(C)CC(=O)O 265ccb99bd145bcd13fe58bf867798c3 [0,1,0,1,0,0|2,0,0]=4 18012 B13R1.2804 CO[C@H]1CC[C@@H]1NC(C)CC(=O)O 0332a0406aa3312e9a7a50ef3fa1eba0 [0,1,0,1,0,0|2,0,0]=4 18013 B13R1.2804 CO[C@H]1CC[C@H]1NC(C)CC(=O)O 754d3383daa504d77514c527ab99e7a0 [0,1,0,1,0,0|2,0,0]=4 18014 B13R1.2897 CCCN1CCC[C@@H]([C@H]1C(=O)O)O 5d6166464dbec9bec8bbe71736b2c836 [0,1,0,1,0,0|1,0,0]=3 18015 B13R1.2897 CCCN1CCC[C@H]([C@@H]1C(=O)O)O 8b62dfa727f9baf5a5e6d4af7e2fea23 [0,1,0,1,0,0|1,0,0]=3 18016 B13R1.2897 CCCN1CCC[C@H]([C@H]1C(=O)N)C 8af1ea65905afaf4718a733530f875bf [0,1,0,1,0,0|2,0,0]=4 18017 B13R1.2897 CCCN1CCO[C@@H]([C@H]1C(=O)O)C 02fcfe40e7b7c3ecfb35fd53ae18008e [0,1,0,1,0,0|2,0,0]=4 18018 B13R1.2897 COCN1CCC[C@@H]([C@H]1C(=O)O)O 333cfaee6f2e4d74fa0e96c49be15c67 [0,1,0,1,0,0|2,0,0]=4 18019 B13R1.2897 COCN1CCC[C@H]([C@@H]1C(=O)O)O 27d9d8e2e821da4faabacdf1c04ccc3f [0,1,0,1,0,0|2,0,0]=4 18020 B13R1.2897 CSCN1CCC[C@@H]([C@H]1C(=O)O)O fbfb1b922790b746e7e4ec6d4fc3b6a4 [0,1,0,1,0,0|2,0,0]=4 18021 B13R1.2897 CSCN1CCC[C@H]([C@@H]1C(=O)O)O 435e57e9b82d9077e1aa80f85da0e869 [0,1,0,1,0,0|2,0,0]=4 18022 B13R1.2897 O=C(O)[C@@H]1[C@H](CCCN1CCF)O 7cc40ff0b01c32b6095d846a0d9e7e4c [0,1,0,1,0,0|2,0,0]=4 18023 B13R1.2897 O=C(O)[C@@H]1[C@H](CCCN1CCO)O ac3e5f9285c62cca9730675525dc4544 [0,1,0,1,0,0|2,0,0]=4 18024 B13R1.2897 O=C(O)[C@@H]1[C@H](CCCN1CCS)O b31facb0d3b6674d8cc6d02fb40f42db [0,1,0,1,0,0|2,0,0]=4 18025 B13R1.2897 O=C(O)[C@H]1[C@@H](CCCN1CCF)O 3cc760c45ca617389a2c5c35c92dbf35 [0,1,0,1,0,0|2,0,0]=4 18026 B13R1.2897 O=C(O)[C@H]1[C@@H](CCCN1CCO)O 78bf1f236e7315087e5e52b69863473a [0,1,0,1,0,0|2,0,0]=4 18027 B13R1.2897 O=C(O)[C@H]1[C@@H](CCCN1CCS)O 0ed748a210a85e9fc6b89ebb7f45c534 [0,1,0,1,0,0|2,0,0]=4 18028 B13R1.3404 COC[C@@H]1C[C@@H]1NC(C)CC(=O)O 1d33fc84ba5a4b9b309af31667af75e2 [0,1,0,1,0,0|2,0,0]=4 18029 B13R1.3404 COC[C@H]1C[C@@H]1NC(C)CC(=O)O 25ee367489b3d7476022bb7b38388cff [0,1,0,1,0,0|2,0,0]=4 18030 B13R1.5437 CCCCCOCC1(CC(=O)C1)C afc3e04cf4e49d93aeceba06068881ae [0,1,0,1,0,0|2,0,0]=4 18031 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 01be499ad3f4829fb319272c59f7bd5f [0,1,0,1,0,0|1,0,0]=3 18032 B13R1.7456 CC(CC(=O)O)N1CCCOCC1 50a2f9a21774d5f5fd1afbdec94a8e69 [0,1,0,1,0,0|2,0,0]=4 18033 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 8f292a31b27f82cc3678f6fef1be62db [0,1,0,1,0,0|2,0,0]=4 18034 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 a09d437bc99ee6ec05063f34e9bf2820 [0,1,0,1,0,0|1,0,0]=3 18035 B13R1.18 CCCCC(C)N1CCCC(=O)C1 1b43743c230032f0da29fbbe0a0c5454 [0,1,0,1,0,0|2,0,0]=4 18036 B13R1.43 CCCCN(C)CC1CCC(=O)N1 51c4beb2f0d630011014ca4c210c825c [0,1,0,1,0,0|2,0,0]=4 18037 B13R1.43 CCCCN(C)C[C@@H]1CCC(=O)N1 c60d9ce202d7f9eaa83206075e38ff83 [0,1,0,1,0,0|2,0,0]=4 18038 B13R1.43 CCCCN(C)C[C@H]1CCC(=O)N1 b7db0fd1ba4abe1db421447bb7ee51a7 [0,1,0,1,0,0|2,0,0]=4 18039 B13R1.43 CN(CCCO)CC1CCC(=O)O1 8830043ff8ff3596cd3e5429224e061a [0,1,0,1,0,0|2,0,0]=4 18040 B13R1.43 COCCN(C)CC1CCC(=O)O1 e23547067e01232c2b9a3cf4af2d564f [0,1,0,1,0,0|2,0,0]=4 18041 B13R1.43 CSCCN(C)CC1CCC(=O)O1 c012b2cd4d6a1f17fa3dd890c7830286 [0,1,0,1,0,0|2,0,0]=4 18042 B13R1.128 C=C(C)CCNCC1CCC(=O)O1 3b7a5ac6551cd76ee938ee83284d0709 [0,1,0,1,0,0|1,0,1]=4 18043 B13R1.128 C=C(C)CCOCC1CCC(=O)O1 0ec11e1d155564ae7e0822fc7e2740d6 [0,1,0,1,0,0|1,0,1]=4 18044 B13R1.128 CC(=O)CCCCN1CCC(C1)C 82948d3a2a6c74fa6cf7752a21cda551 [0,1,0,1,0,0|2,0,0]=4 18045 B13R1.128 CC(=O)CCCCN1CCC(C1)F eb064c4846719d35aab14c51e6d0fcf4 [0,1,0,1,0,0|2,0,0]=4 18046 B13R1.128 CC(=O)CCCCN1CCC(C1)O f8b0ed7a724bf07cf886d1e6e3f13601 [0,1,0,1,0,0|2,0,0]=4 18047 B13R1.128 CC(=O)CCCCN1CC[C@@H](C1)F e3aed111ca62a69bf8729243fe71c4ae [0,1,0,1,0,0|2,0,0]=4 18048 B13R1.128 CC(=O)CCCCN1CC[C@@H](C1)O 18d8b2ab772e9258144321c3890f63db [0,1,0,1,0,0|2,0,0]=4 18049 B13R1.128 CC(=O)CCCCN1CC[C@H](C1)F e1b332ef9f208ac12388c004d12c65fc [0,1,0,1,0,0|2,0,0]=4 18050 B13R1.128 CC(=O)CCCCN1CC[C@H](C1)O 8d4ba51c53ac3ba13843143e05fa96f0 [0,1,0,1,0,0|2,0,0]=4 18051 B13R1.128 CC(=O)CCCNC1CCC(C1)C bd5527bfa138cb3ada2ab1a633454aae [0,1,0,1,0,0|2,0,0]=4 18052 B13R1.128 CC(=O)CCCNC1CCC(C1)O 09810a5b02e0fa8aa8c3898e1dae171a [0,1,0,1,0,0|2,0,0]=4 18053 B13R1.128 CC(=O)CCCN[C@@H]1CC[C@@H](C1)O 222810f5a2728fbc219fc5b6b27a27bf [0,1,0,1,0,0|2,0,0]=4 18054 B13R1.128 CC(=O)CCCN[C@@H]1CC[C@H](C1)O d96917046be560254eb4cbf3f5e6f16c [0,1,0,1,0,0|2,0,0]=4 18055 B13R1.128 CC(=O)CCCN[C@H]1CC[C@@H](C1)O ad3f0dae02286b3b60afb53b9feb3f80 [0,1,0,1,0,0|2,0,0]=4 18056 B13R1.128 CC(=O)CCCN[C@H]1CC[C@H](C1)O 9a62cd715030217db1f49f049c7ba925 [0,1,0,1,0,0|2,0,0]=4 18057 B13R1.128 CC(=O)CCCOC1CCC(C1)C c1cfc2589a31c55aa174c0ccfcb28f88 [0,1,0,1,0,0|2,0,0]=4 18058 B13R1.128 CC(=O)CCCOC1CCC(C1)F 254d3f263a9c0ab76982a2e2250384ef [0,1,0,1,0,0|2,0,0]=4 18059 B13R1.128 CC(=O)CCNCC1CCC(C1)O 1d7851b0504b22e7a854e9912d95ca5a [0,1,0,1,0,0|2,0,0]=4 18060 B13R1.128 CC(=O)CCOCC1CCC(=O)O1 ffd2d389de947585f79b4ae206a00068 [0,1,0,1,0,0|1,0,1]=4 18061 B13R1.128 CC(=O)CCOCC1CCC(C1)C 82914cdd749e2490e195fffa97ea5db1 [0,1,0,1,0,0|2,0,0]=4 18062 B13R1.128 CC(=O)CCOCC1CCC(C1)F e68ffb0ed6b5e09f3cb2b798ae769313 [0,1,0,1,0,0|2,0,0]=4 18063 B13R1.128 CC(=O)CCOCC1CCC(O1)C 09b09f85a33cc8a1cf9b7bac844b8864 [0,1,0,1,0,0|2,0,0]=4 18064 B13R1.128 CC(=O)CCOC[C@@H]1CCC(=O)O1 6684166ee447f846756b9a9582b09fe6 [0,1,0,1,0,0|1,0,1]=4 18065 B13R1.128 CC(=O)CCOC[C@@H]1CC[C@@H](O1)C 0391018a5007cd65823714f76b96e2fd [0,1,0,1,0,0|2,0,0]=4 18066 B13R1.128 CC(=O)CCOC[C@@H]1CC[C@H](C1)F b2aee2aa5f0fa76c8837bcba6734d933 [0,1,0,1,0,0|2,0,0]=4 18067 B13R1.128 CC(=O)CCOC[C@H]1CCC(=O)O1 aa944700cf61b3b10ef1751a649d4e88 [0,1,0,1,0,0|1,0,1]=4 18068 B13R1.128 CC(=O)CCOC[C@H]1CC[C@H](C1)F f1c9b73eb042f9b9e1585b99a69097c1 [0,1,0,1,0,0|2,0,0]=4 18069 B13R1.128 CC(C)CCCOC1CCC(=O)C1 8ecd962d1f1eb395fd1f7055f74fb658 [0,1,0,1,0,0|2,0,0]=4 18070 B13R1.128 CC(C)CCNCC1CCC(=O)N1 401b401e601f75592d57ec2ca39efd8f [0,1,0,1,0,0|2,0,0]=4 18071 B13R1.128 CC(C)CCNCC1CCC(=O)O1 5602d979acd86e99da4560c6a234967f [0,1,0,1,0,0|1,0,0]=3 18072 B13R1.128 CC(C)CCNC[C@@H]1CCC(=O)N1 a9fd81a28c20aa3e3fcdc56a136acb97 [0,1,0,1,0,0|2,0,0]=4 18073 B13R1.128 CC(C)CCNC[C@H]1CCC(=O)N1 115271326be866f5b102c91c7029f662 [0,1,0,1,0,0|2,0,0]=4 18074 B13R1.128 CC(C)CCOCC1CCC(=O)C1 f5e2557f7cf174ad0f6f1c70b0bc0a39 [0,1,0,1,0,0|2,0,0]=4 18075 B13R1.128 CC(C)CCOCC1CCC(=O)N1 54e348e0ed48b6df6ad4b3dbc3d506f0 [0,1,0,1,0,0|2,0,0]=4 18076 B13R1.128 CC(C)CCOCC1CCC(=O)O1 3d6b03dd46079d664d01049026816b96 [0,1,0,1,0,0|1,0,0]=3 18077 B13R1.128 CC(C)CCOC[C@@H]1CCC(=O)C1 6f5d554018d4e648c9c73eb339d74e93 [0,1,0,1,0,0|2,0,0]=4 18078 B13R1.128 CC(C)CCOC[C@@H]1CCC(=O)N1 193b9e25d9c975da6d191d4a0f97842e [0,1,0,1,0,0|2,0,0]=4 18079 B13R1.128 CC(C)CCOC[C@@H]1CCC(=O)O1 1351d3ac0dd5b74ab13a653e2f5032fb [0,1,0,1,0,0|1,0,0]=3 18080 B13R1.128 CC(C)CCOC[C@H]1CCC(=O)N1 7aa813dca4fa88341384cebc0c5987bf [0,1,0,1,0,0|2,0,0]=4 18081 B13R1.128 CC(C)CCOC[C@H]1CCC(=O)O1 7985aedba97b440300565e1f5bcae297 [0,1,0,1,0,0|1,0,0]=3 18082 B13R1.128 CC(C)COCC[C@@H]1CCC(=O)N1 c05cc8ff219df46865b42abfa1c71f03 [0,1,0,1,0,0|2,0,0]=4 18083 B13R1.128 CC(C)OCOCC1CCC(=O)O1 7ae40b4081179844d12dfc9476259b8a [0,1,0,1,0,0|2,0,0]=4 18084 B13R1.128 CC(C)OCOC[C@@H]1CCC(=O)O1 f723f70e0bb3275b475cef6801fd80af [0,1,0,1,0,0|2,0,0]=4 18085 B13R1.128 CC(C)OCOC[C@H]1CCC(=O)O1 20472abb2cec118fdd3298c0d0765c5c [0,1,0,1,0,0|2,0,0]=4 18086 B13R1.128 CC(O)CCNCC1CCC(=O)N1 1e141618821c57a813b13983317701cd [0,1,0,1,0,0|2,0,0]=4 18087 B13R1.128 CC(O)CCNCC1CCC(=O)O1 1e74c8fa66b8ce9e84cad7e4d382720b [0,1,0,1,0,0|1,0,0]=3 18088 B13R1.128 CC(O)CCNC[C@@H]1CCC(=O)N1 600fe0da369fff2628c0d5289c0e7b5d [0,1,0,1,0,0|2,0,0]=4 18089 B13R1.128 CC(O)CCNC[C@H]1CCC(=O)N1 cc0c127fa6a2b5831a41e3f0b06d2af6 [0,1,0,1,0,0|2,0,0]=4 18090 B13R1.128 CC1CC(CO1)OCCCC(=O)O 72ddef3bad6e663ec71adcebcff99315 [0,1,0,1,0,0|2,0,0]=4 18091 B13R1.128 CC1CCC(C1)COCCC(=O)N f80a1db141d69875e0f504ca3615e88e [0,1,0,1,0,0|2,0,0]=4 18092 B13R1.128 CC1CCC(C1)COCCC(=O)O ba62bb6f1f4484cb4cb3bf4f7ea7f866 [0,1,0,1,0,0|1,0,0]=3 18093 B13R1.128 CC1CCC(C1)NCCCC(=O)N 225135f56ed71ce80823fd4a460d2104 [0,1,0,1,0,0|2,0,0]=4 18094 B13R1.128 CC1CCC(C1)NCCCC(=O)O a373571d8850eabedb405d1ae49c182b [0,1,0,1,0,0|1,0,0]=3 18095 B13R1.128 CC1CCC(C1)OCCCC(=O)N ff792ee08f7ba2a5665f30f55e26ba3d [0,1,0,1,0,0|2,0,0]=4 18096 B13R1.128 CC1CCC(O1)COCCC(=O)N 9bb5956617dfbe420f48b4fbce5c93ba [0,1,0,1,0,0|2,0,0]=4 18097 B13R1.128 CC1CCC(O1)COCCC(=O)O 5adba7e12b86613bbdb93c9e113d19fb [0,1,0,1,0,0|1,0,0]=3 18098 B13R1.128 CC1CCN(C1)CCCCC(=O)N 60b81eb7fcd358effd863537f954ca4e [0,1,0,1,0,0|2,0,0]=4 18099 B13R1.128 CC1CCN(C1)CCCCC(=O)O cac6093b59fb70ed361a71822fee7a6a [0,1,0,1,0,0|1,0,0]=3 18100 B13R1.128 CC1CCN(C1)CCOCC(=O)O 4eb7db875a1c08e248cfe7c69369ea40 [0,1,0,1,0,0|2,0,0]=4 18101 B13R1.128 CN(C)CCNCC1CCC(=O)O1 0b0aa31de26a285c4f940522cfb6f193 [0,1,0,1,0,0|2,0,0]=4 18102 B13R1.128 CN(C)CCOCC1CCC(=O)O1 7833117c567f7b976f6196dba0c5e257 [0,1,0,1,0,0|2,0,0]=4 18103 B13R1.128 CN1CCC(C1)CCNCC(=O)O 5ba34d45b9627ce06b96a8dc2da6cd00 [0,1,0,1,0,0|2,0,0]=4 18104 B13R1.128 CN1CCC(C1)CCOCC(=O)O aeadaba0519fa559e4bb3eec659bb206 [0,1,0,1,0,0|2,0,0]=4 18105 B13R1.128 CN1CCC(C1)CNCCC(=O)O 8e069973a36c51f0ee844a75a8f8941b [0,1,0,1,0,0|2,0,0]=4 18106 B13R1.128 CN1CCC(C1)COCCC(=O)O 03bd43586f08c73916161acf6d19bb0d [0,1,0,1,0,0|2,0,0]=4 18107 B13R1.128 CN1CCC(C1)NCCCC(=O)O f9227bdea0d483b200ad6bd135c2fa90 [0,1,0,1,0,0|2,0,0]=4 18108 B13R1.128 CN1CCN(C1)CCCCC(=O)O bc1439009ec2b7d01ed41f35b2ddcd4c [0,1,0,1,0,0|2,0,0]=4 18109 B13R1.128 CN1CC[C@@H](C1)CNCCC(=O)O 11028edb5fd9ef9c1e78262f9ab6ffe7 [0,1,0,1,0,0|2,0,0]=4 18110 B13R1.128 CN1CC[C@@H](C1)COCCC(=O)O 23bd55173fe7f6555b06088df230292f [0,1,0,1,0,0|2,0,0]=4 18111 B13R1.128 CN1CC[C@@H](C1)NCCCC(=O)O 33c3df4947df3e97b44e55028b6f03c5 [0,1,0,1,0,0|2,0,0]=4 18112 B13R1.128 CN1CC[C@H](C1)CNCCC(=O)O 71ef030e6217566c485ba2931b78fe16 [0,1,0,1,0,0|2,0,0]=4 18113 B13R1.128 CN1CC[C@H](C1)COCCC(=O)O da7bd759852071dde26d9d9d0acdccb8 [0,1,0,1,0,0|2,0,0]=4 18114 B13R1.128 CN1CC[C@H](C1)NCCCC(=O)O 35992c93ac6a300abd179eeaf0e0990b [0,1,0,1,0,0|2,0,0]=4 18115 B13R1.128 CS(=O)CCNCC1CCC(=O)O1 769a328fdbc247bf6df6dcbf27f6f881 [0,1,0,1,0,0|2,0,0]=4 18116 B13R1.128 CS(=O)CCOCC1CCC(=O)O1 c85364352ff2fb5e23ca4571ec622e1d [0,1,0,1,0,0|2,0,0]=4 18117 B13R1.128 CS(=O)CCOC[C@@H]1CCC(=O)O1 6a54124f7c1e65c78f565b7e9c5e0ca7 [0,1,0,1,0,0|2,0,0]=4 18118 B13R1.128 CS(=O)CCOC[C@H]1CCC(=O)O1 b441feb94f4870eb73ed9c35f63e90fa [0,1,0,1,0,0|2,0,0]=4 18119 B13R1.128 C[C@@H](O)CCNCC1CCC(=O)N1 2bb8698a9441f1c4bece6bae1370690e [0,1,0,1,0,0|2,0,0]=4 18120 B13R1.128 C[C@@H](O)CCNCC1CCC(=O)O1 3012afce6489ed13787372b3bc8188c0 [0,1,0,1,0,0|1,0,0]=3 18121 B13R1.128 C[C@@H](O)CCNC[C@@H]1CCC(=O)N1 c99522604286138f68c613bff254056b [0,1,0,1,0,0|2,0,0]=4 18122 B13R1.128 C[C@@H](O)CCNC[C@H]1CCC(=O)N1 2c2ff921ec91aabdde2b31685e7db611 [0,1,0,1,0,0|2,0,0]=4 18123 B13R1.128 C[C@H](O)CCNCC1CCC(=O)N1 af2af2189de62c0f136ede226c3eda01 [0,1,0,1,0,0|2,0,0]=4 18124 B13R1.128 C[C@H](O)CCNCC1CCC(=O)O1 a6527ad1c6fa7b4576a17727afcfe58e [0,1,0,1,0,0|1,0,0]=3 18125 B13R1.128 C[C@H](O)CCNC[C@@H]1CCC(=O)N1 a83114c05fae70433bb5d5791bccd8b6 [0,1,0,1,0,0|2,0,0]=4 18126 B13R1.128 C[C@H](O)CCNC[C@H]1CCC(=O)N1 3636acd5b98664919c4ec8f4d1ec9480 [0,1,0,1,0,0|2,0,0]=4 18127 B13R1.128 C[C@H]1CC[C@H](O1)COCCC(=O)N 18b8ad85168a6ff8e93219de7c3dd68a [0,1,0,1,0,0|2,0,0]=4 18128 B13R1.128 C[C@H]1CC[C@H](O1)COCCC(=O)O 182ac48954c6ba6d2e1cc1bfa48e8d30 [0,1,0,1,0,0|1,0,0]=3 18129 B13R1.128 NC(=O)CCCCN1CCC(C1)F 1fa2f2bcda26c8c12c7c55fda52318f8 [0,1,0,1,0,0|2,0,0]=4 18130 B13R1.128 NC(=O)CCCCN1CCC(C1)O d8c03272c3a91dccd29f72f03995fc6a [0,1,0,1,0,0|2,0,0]=4 18131 B13R1.128 NC(=O)CCCCN1CC[C@@H](C1)F 972abfae8508b274f482e9282baf0bbf [0,1,0,1,0,0|2,0,0]=4 18132 B13R1.128 NC(=O)CCCCN1CC[C@@H](C1)O a49cac0d89ca812c701c81d2ecdb56de [0,1,0,1,0,0|2,0,0]=4 18133 B13R1.128 NC(=O)CCCCN1CC[C@H](C1)F e6e1eced62c5e470060beb4e73684598 [0,1,0,1,0,0|2,0,0]=4 18134 B13R1.128 NC(=O)CCCCN1CC[C@H](C1)O 8875c5f6c3966986435dfc5fc35ded81 [0,1,0,1,0,0|2,0,0]=4 18135 B13R1.128 NC(=O)CCCNC1CCC(C1)O 5303453fb15be6f33f852f440de157ef [0,1,0,1,0,0|2,0,0]=4 18136 B13R1.128 NC(=O)CCCN[C@@H]1CC[C@@H](C1)O a46ba86d00c4634383af9eb96cbc584e [0,1,0,1,0,0|2,0,0]=4 18137 B13R1.128 NC(=O)CCCN[C@@H]1CC[C@H](C1)O de027c0434c95bc6ddb0583e0c8bc876 [0,1,0,1,0,0|2,0,0]=4 18138 B13R1.128 NC(=O)CCCN[C@H]1CC[C@@H](C1)O be97b85b3eb1844ad113741d9464f458 [0,1,0,1,0,0|2,0,0]=4 18139 B13R1.128 NC(=O)CCCN[C@H]1CC[C@H](C1)O 3091e8990c5e0d81723347a602942ca4 [0,1,0,1,0,0|2,0,0]=4 18140 B13R1.128 NC(=O)CCCOC1CCC(C1)F f37fd8f7149e003e256c247ef3e2c8c7 [0,1,0,1,0,0|2,0,0]=4 18141 B13R1.128 NC(=O)CCNCC1CCC(C1)O 5dc89ce0a65ed544532de8f598b74532 [0,1,0,1,0,0|2,0,0]=4 18142 B13R1.128 NC(=O)CCOCC1CCC(C1)F 8a5674cfcdf995bac87b8eb2bf9860a7 [0,1,0,1,0,0|2,0,0]=4 18143 B13R1.128 NC(=O)CCOC[C@@H]1CC[C@H](C1)F defe106449c1cff492f7f2ad04bc9450 [0,1,0,1,0,0|2,0,0]=4 18144 B13R1.128 NC(=O)CCOC[C@H]1CC[C@H](C1)F 9095e64ef43cf8195e1402016638b35d [0,1,0,1,0,0|2,0,0]=4 18145 B13R1.128 O=C(O)CCCCN1CCC(C1)O 33b246af340c728104010407bbf78b9b [0,1,0,1,0,0|1,0,0]=3 18146 B13R1.128 O=C(O)CCCCN1CC[C@@H](C1)O c65548bcb8e07037baa9f8ea230155c8 [0,1,0,1,0,0|1,0,0]=3 18147 B13R1.128 O=C(O)CCCCN1CC[C@H](C1)O f6f8c8320035dca6a33e2668f0171dd7 [0,1,0,1,0,0|1,0,0]=3 18148 B13R1.128 O=C(O)CCCNC1CCC(C1)O dbf6f5050fbf8f04628ea9a86f22d2e0 [0,1,0,1,0,0|1,0,0]=3 18149 B13R1.128 O=C(O)CCCN[C@@H]1CC[C@@H](C1)O 734316bab5323e86d559504afaa855e3 [0,1,0,1,0,0|1,0,0]=3 18150 B13R1.128 O=C(O)CCCN[C@@H]1CC[C@H](C1)O 86cfcbd83e3113d34989966252968b47 [0,1,0,1,0,0|1,0,0]=3 18151 B13R1.128 O=C(O)CCCN[C@H]1CC[C@@H](C1)O a115a9b445c7eaf3d1a22f833480205c [0,1,0,1,0,0|1,0,0]=3 18152 B13R1.128 O=C(O)CCCN[C@H]1CC[C@H](C1)O 08fa44757bf911f7c492f55d0d9d6076 [0,1,0,1,0,0|1,0,0]=3 18153 B13R1.128 O=C(O)CCNCC1CCC(C1)O 67a82e4507457d7b8a0fd2e7120d49b2 [0,1,0,1,0,0|1,0,0]=3 18154 B13R1.128 O=C(O)CCOCC1CCC(=O)C1 4b9cc0624e25d28bd630087a3fc9c702 [0,1,0,1,0,0|1,0,1]=4 18155 B13R1.128 O=C(O)CCOCC1CCC(C1)F f2700d66f3b8ab390e98b4a5289137d1 [0,1,0,1,0,0|1,0,0]=3 18156 B13R1.128 O=C(O)CCOC[C@@H]1CCC(=O)C1 3d882c48e13b8c47d6fbab6434aeb306 [0,1,0,1,0,0|1,0,1]=4 18157 B13R1.128 O=C(O)CCOC[C@@H]1CC[C@H](C1)F 68a1576a4fc143ed7ad3dec97bfc2c77 [0,1,0,1,0,0|1,0,0]=3 18158 B13R1.128 O=C(O)CCOC[C@H]1CC[C@H](C1)F 1504b6eebbbae419c881f8f020bf7a78 [0,1,0,1,0,0|1,0,0]=3 18159 B13R1.128 O=C(O)CNCCN1CCC(C1)F 8d1a144d3bd8077183fbef10e552d14e [0,1,0,1,0,0|2,0,0]=4 18160 B13R1.128 O=C(O)CNCCN1CCC(C1)O ea05b317b3dfab09df1fb4439272c3b9 [0,1,0,1,0,0|2,0,0]=4 18161 B13R1.128 O=C(O)CNCCN1CC[C@@H](C1)F e45b731f2f351b18411d0b6ee7c99af1 [0,1,0,1,0,0|2,0,0]=4 18162 B13R1.128 O=C(O)CNCCN1CC[C@@H](C1)O 70370001ebe71e106d4a927ff1932bc7 [0,1,0,1,0,0|2,0,0]=4 18163 B13R1.128 O=C(O)CNCCN1CC[C@H](C1)F 3065f1ba354278410112435853dd46a2 [0,1,0,1,0,0|2,0,0]=4 18164 B13R1.128 O=C(O)COCCN1CCC(C1)F 7513ac82b40130d68ceaa03b242cb6a7 [0,1,0,1,0,0|2,0,0]=4 18165 B13R1.128 O=C(O)COCCN1CCC(C1)O 6170ecbe51d5506f958bff2ce27f1a11 [0,1,0,1,0,0|2,0,0]=4 18166 B13R1.128 O=C(O)COCCN1CC[C@@H](C1)F e269876dfc5c69b1d50e2fac157bbe5b [0,1,0,1,0,0|2,0,0]=4 18167 B13R1.128 O=C(O)COCCN1CC[C@@H](C1)O 2a8c0c264b7e57d2739e6dec78989921 [0,1,0,1,0,0|2,0,0]=4 18168 B13R1.128 O=C(O)COCCN1CC[C@H](C1)F ec8e2519d0a2489f4dcb00d2a0adab0e [0,1,0,1,0,0|2,0,0]=4 18169 B13R1.128 O=C(O)COCCN1CC[C@H](C1)O 353b06bf6c46253550b55f076c820cdb [0,1,0,1,0,0|2,0,0]=4 18170 B13R1.128 O=C1CCC(O1)CNCCC(F)F cabe341fba7a13cfbeb2040ada117e30 [0,1,0,1,0,0|2,0,0]=4 18171 B13R1.128 O=C1CCC(O1)COCCC(F)F dd0c82a89b2cb9e3e254ff5ba80b6ae6 [0,1,0,1,0,0|2,0,0]=4 18172 B13R1.158 C=C(Br)CCO[C@H]1CCCC[C@H]1C 539a3efe431089326d4b1d4338a13026 [0,1,0,1,0,0|2,0,0]=4 18173 B13R1.158 C=C(Br)CNCC1CCCCC1C cb66960fd717b5e66aaafdbc404d8d92 [0,1,0,1,0,0|2,0,0]=4 18174 B13R1.158 C=C(C)CCCN1CCCCC1C e8483dcfd8dc41e3d9d5670e9f256bb3 [0,1,0,1,0,0|2,0,0]=4 18175 B13R1.158 C=C(C)CCCN1CCCC[C@@H]1C 3ad8cb1294127efa71440080e699802d [0,1,0,1,0,0|2,0,0]=4 18176 B13R1.158 C=C(C)CCCN1CCCC[C@H]1C d7fddc22c253e45202a260c271e44f21 [0,1,0,1,0,0|2,0,0]=4 18177 B13R1.158 C=C(C)CCNC1CCCCC1C 7e19ae8ff9a22d8c0be16d909f318db8 [0,1,0,1,0,0|2,0,0]=4 18178 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@@H]1C 6aec5d22a96b1a552dd3a33b8b1b1fb3 [0,1,0,1,0,0|2,0,0]=4 18179 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@H]1C 88a3c9a715b11d15389e370f0a495a74 [0,1,0,1,0,0|2,0,0]=4 18180 B13R1.158 C=C(C)CCN[C@H]1CCCC[C@@H]1C d4e0697e07ec1c16fdedc12b8743ff2a [0,1,0,1,0,0|2,0,0]=4 18181 B13R1.158 C=C(C)CCN[C@H]1CCCC[C@H]1C f3cc1c5b39381f9e6db20eb7fdab04ef [0,1,0,1,0,0|2,0,0]=4 18182 B13R1.158 C=C(C)CCOC1CCCCC1C 2995074e76fc9d0c5ea376e68866e73a [0,1,0,1,0,0|2,0,0]=4 18183 B13R1.158 C=C(C)CCO[C@@H]1CCCC[C@@H]1C 61abdae5f73c174083da209dd37201fe [0,1,0,1,0,0|2,0,0]=4 18184 B13R1.158 C=C(C)CCO[C@H]1CCCC[C@@H]1C e989bf224f77c47d564d0b27f068afd0 [0,1,0,1,0,0|2,0,0]=4 18185 B13R1.158 C=C(C)CCO[C@H]1CCCC[C@H]1C cd7754b746b67241dc86f4b7a4d22037 [0,1,0,1,0,0|2,0,0]=4 18186 B13R1.158 C=C(C)CNCC1CCCCC1C 9a3c068ae26f859e4ebb94a0ef42ed25 [0,1,0,1,0,0|2,0,0]=4 18187 B13R1.158 C=C(Cl)CNCC1CCCCC1C c3ed803efc201291645a4db3e4325c3d [0,1,0,1,0,0|2,0,0]=4 18188 B13R1.158 C=C(F)CNCC1CCCCC1C 734debe5fec26dbb62e2760509c2fbe8 [0,1,0,1,0,0|2,0,0]=4 18189 B13R1.158 CC(=O)CCCN1CCCCC1C 711a97d929113e2d66b2875ef68e165d [0,1,0,1,0,0|1,0,0]=3 18190 B13R1.158 CC(=O)CCCN1CCCC[C@@H]1C e546653370548a7c18e3542de9844786 [0,1,0,1,0,0|1,0,0]=3 18191 B13R1.158 CC(=O)CCCN1CCCC[C@H]1C 6aaaa8057ecadea5a84d70e5a5244125 [0,1,0,1,0,0|1,0,0]=3 18192 B13R1.158 CC(=O)CCCN1CCOCC1C 6089f89594194ce4a0dcf72b3d67b061 [0,1,0,1,0,0|2,0,0]=4 18193 B13R1.158 CC(=O)CCCN1CCOC[C@@H]1C 21752537464b3e8f894d63c9598c3b7e [0,1,0,1,0,0|2,0,0]=4 18194 B13R1.158 CC(=O)CCCN1CCOC[C@H]1C aa28b5cba96e670e228b6983248f1c87 [0,1,0,1,0,0|2,0,0]=4 18195 B13R1.158 CC(=O)CCNC1CCCCC1C b2723fc0b0829c5a36d1570482da6131 [0,1,0,1,0,0|1,0,0]=3 18196 B13R1.158 CC(=O)CCNC1CCCCC1O 2d2b6f7affa59e448549e1e087537560 [0,1,0,1,0,0|2,0,0]=4 18197 B13R1.158 CC(=O)CCNC1CCOCC1C dbc6dfbd95d69a761eec756b93138693 [0,1,0,1,0,0|2,0,0]=4 18198 B13R1.158 CC(=O)CCN[C@@H]1CCCC[C@@H]1C c43fca1dbd109663eafde031b28e5f06 [0,1,0,1,0,0|1,0,0]=3 18199 B13R1.158 CC(=O)CCN[C@@H]1CCCC[C@H]1C 18f82bab45758b09ea361d28749d4270 [0,1,0,1,0,0|1,0,0]=3 18200 B13R1.158 CC(=O)CCN[C@@H]1CCCC[C@H]1O eb5dea6ff243f5a807b443b25e301875 [0,1,0,1,0,0|2,0,0]=4 18201 B13R1.158 CC(=O)CCN[C@@H]1CCOC[C@@H]1C ac701f049f62b65e1c587eefe07a3eda [0,1,0,1,0,0|2,0,0]=4 18202 B13R1.158 CC(=O)CCN[C@H]1CCCC[C@@H]1C 829040a3398e8cf09a365c97fa8300c8 [0,1,0,1,0,0|1,0,0]=3 18203 B13R1.158 CC(=O)CCN[C@H]1CCCC[C@@H]1O ec3def58f6569a894309ba129becb386 [0,1,0,1,0,0|2,0,0]=4 18204 B13R1.158 CC(=O)CCN[C@H]1CCCC[C@H]1C 589eb8a00e4cec14d9a573e5dffda6c5 [0,1,0,1,0,0|1,0,0]=3 18205 B13R1.158 CC(=O)CCN[C@H]1CCCC[C@H]1O a3826161569fd22d3d4794665cc3d3be [0,1,0,1,0,0|2,0,0]=4 18206 B13R1.158 CC(=O)CCN[C@H]1CCOC[C@H]1C 262bbf4ec25035c3b4142a5f294e89ca [0,1,0,1,0,0|2,0,0]=4 18207 B13R1.158 CC(=O)CCOC1CCCCC1C 2b689315deac13029a2e9a56162f4144 [0,1,0,1,0,0|1,0,0]=3 18208 B13R1.158 CC(=O)CCOC1CCCCC1F 06b802ff1eb248081fd8641ceac37fec [0,1,0,1,0,0|2,0,0]=4 18209 B13R1.158 CC(=O)CCOC1CCOCC1C 55bd6ba8ae0addd8f071c81f3c31459a [0,1,0,1,0,0|2,0,0]=4 18210 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@@H]1C a5cddfa65a6eedede123a11ab64fa4d9 [0,1,0,1,0,0|1,0,0]=3 18211 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F a4f3e22d14151929dcdb30b79ad87657 [0,1,0,1,0,0|2,0,0]=4 18212 B13R1.158 CC(=O)CCO[C@H]1CCCC[C@@H]1C e14d7e63677c92bc186a92ca659e32ac [0,1,0,1,0,0|1,0,0]=3 18213 B13R1.158 CC(=O)CCO[C@H]1CCCC[C@H]1C a7d8028dd162a246d23e5ae6c0e7c764 [0,1,0,1,0,0|1,0,0]=3 18214 B13R1.158 CC(=O)CNCC1CCCCN1C f3e6596de1345af4ab22ec294d3b4db4 [0,1,0,1,0,0|2,0,0]=4 18215 B13R1.158 CC(=O)COCC1CCCCN1C c5ba80854944bdd4bf473c19041fc00a [0,1,0,1,0,0|2,0,0]=4 18216 B13R1.158 CC(=O)NCCC1CCCCN1C 6469984e75125199c279e058034ec127 [0,1,0,1,0,0|2,0,0]=4 18217 B13R1.158 CC(=O)NCCN1CCCCC1C ecb9033215f904267f91d7f9524cdf2c [0,1,0,1,0,0|2,0,0]=4 18218 B13R1.158 CC(=O)NCCN1CCCC[C@@H]1C 225d0aa0f28bb6e2b5edaff96305dce7 [0,1,0,1,0,0|2,0,0]=4 18219 B13R1.158 CC(=O)NCCN1CCCC[C@H]1C f65acad6ee341985b11d7a1f8d7a4478 [0,1,0,1,0,0|2,0,0]=4 18220 B13R1.158 CC(=O)NCO[C@H]1CCCC[C@H]1C 461791bab26e7d876fdc449af94055d4 [0,1,0,1,0,0|2,0,0]=4 18221 B13R1.158 CC(=O)OCCN1CCCCC1C dc3f58dc8d67a9aabc6fe00e7a7cc6a8 [0,1,0,1,0,0|2,0,0]=4 18222 B13R1.158 CC(=O)OCCN1CCCC[C@@H]1C e97696c924164bd657c22ba3b24aa601 [0,1,0,1,0,0|2,0,0]=4 18223 B13R1.158 CC(=O)OCCN1CCCC[C@H]1C 7ff4ffa46ec895894c6c7787a3833cca [0,1,0,1,0,0|2,0,0]=4 18224 B13R1.158 CC(=O)OCNC1CCCCC1C 37c90d56e2a4abe5760c8e22f5a47723 [0,1,0,1,0,0|2,0,0]=4 18225 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@@H]1C 149d4ef732a4ed6f6b5f58145711c3d1 [0,1,0,1,0,0|2,0,0]=4 18226 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@H]1C be6e8d860a2e225f33b52c3f5ac52c4d [0,1,0,1,0,0|2,0,0]=4 18227 B13R1.158 CC(=O)OCN[C@H]1CCCC[C@@H]1C 9e2d447a39941a014e825403987cf420 [0,1,0,1,0,0|2,0,0]=4 18228 B13R1.158 CC(=O)OCN[C@H]1CCCC[C@H]1C 8d4c4c55365578c7ed97e91ab58a4985 [0,1,0,1,0,0|2,0,0]=4 18229 B13R1.158 CC(=O)OCOC1CCCCC1C 2324df5e48da9acd2a9f86c5b21bc481 [0,1,0,1,0,0|2,0,0]=4 18230 B13R1.158 CC(=O)OCO[C@@H]1CCCC[C@@H]1C 76ca72528407994af2b4f541028388f7 [0,1,0,1,0,0|2,0,0]=4 18231 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@@H]1C df981024ebfff928d733af191e7c1096 [0,1,0,1,0,0|2,0,0]=4 18232 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@H]1C 5d155bcdf579bada72bd28d3cefbb963 [0,1,0,1,0,0|2,0,0]=4 18233 B13R1.158 CC(=O)SCCN1CCCCC1C 41faae662b2b68740624add4ac430598 [0,1,0,1,0,0|2,0,0]=4 18234 B13R1.158 CC(=O)SCCN1CCCC[C@@H]1C efdbfc75fa624389f7549350a10a4281 [0,1,0,1,0,0|2,0,0]=4 18235 B13R1.158 CC(=O)SCCN1CCCC[C@H]1C ef945070d94dc5474d2bb665873fc2fe [0,1,0,1,0,0|2,0,0]=4 18236 B13R1.158 CC(O)CCCN1CCCCC1C a6af93b693e0dad9f90f3a0137d09ff5 [0,1,0,1,0,0|1,0,1]=4 18237 B13R1.158 CC(O)CCCN1CCCC[C@@H]1C 25ab7d6c9cd80efbd122a1f1050edd8d [0,1,0,1,0,0|1,0,1]=4 18238 B13R1.158 CC(O)CCCN1CCCC[C@H]1C 9d0404cb560eb8335e0dc3ed85d0df53 [0,1,0,1,0,0|1,0,1]=4 18239 B13R1.158 CC(O)CCNC1CCCCC1C 0f0a4fb8ed0713e350f5292b1650c777 [0,1,0,1,0,0|1,0,1]=4 18240 B13R1.158 CC(O)CCN[C@@H]1CCCC[C@@H]1C a0ffc52b8a7b279045ce672a6b08bbb1 [0,1,0,1,0,0|1,0,1]=4 18241 B13R1.158 CC(O)CCN[C@@H]1CCCC[C@H]1C 5de42b497ae01c98e2dea3364e35af16 [0,1,0,1,0,0|1,0,1]=4 18242 B13R1.158 CC(O)CCN[C@H]1CCCC[C@@H]1C f957566389913c4b89270f14abef8b49 [0,1,0,1,0,0|1,0,1]=4 18243 B13R1.158 CC(O)CCN[C@H]1CCCC[C@H]1C d2f9be3c6b617a218ca138cb25e6d614 [0,1,0,1,0,0|1,0,1]=4 18244 B13R1.158 CC(O)CNCC1CCCCC1C e3954a63248cbcd7f99ec878e27b3490 [0,1,0,1,0,0|1,0,1]=4 18245 B13R1.158 CC1CC=CCC1COCC(=O)O 6dd3f913b69c1a2b5c34fd3f3f64be94 [0,1,0,1,0,0|0,0,2]=4 18246 B13R1.158 CC1CCCCC1CNCC(=O)N 82b66a194f6be7ace14b90cedc09befe [0,1,0,1,0,0|1,0,0]=3 18247 B13R1.158 CC1CCCCC1CNCC(=O)O 4dd033528fcbc190e7d625a268908f17 [0,1,0,1,0,0|0,0,0]=2 18248 B13R1.158 CC1CCCCC1CNC[C@@H](C)O e06ff9a7781b8090e9f285823485c2dc [0,1,0,1,0,0|1,0,1]=4 18249 B13R1.158 CC1CCCCC1CNC[C@H](C)O 93d672d2a449a8767771c86768228866 [0,1,0,1,0,0|1,0,1]=4 18250 B13R1.158 CC1CCCCC1CNC[N+](=O)[O-] 725c89f40fa021ac0137b4b12643bea4 [0,1,0,1,0,0|1,0,1]=4 18251 B13R1.158 CC1CCCCC1NCCC(=O)N e34ded5697d3a49ff44f56cbc9ccf9a2 [0,1,0,1,0,0|1,0,0]=3 18252 B13R1.158 CC1CCCCC1NCCC(=O)O 29242fa775e09dae5b05be0ad18a9856 [0,1,0,1,0,0|0,0,0]=2 18253 B13R1.158 CC1CCCCC1NCCS(=O)C 3504dee893612dadf184488a0c3370f7 [0,1,0,1,0,0|2,0,0]=4 18254 B13R1.158 CC1CCCCC1NCSC(=O)N 9bde6cbecf06dc6064a2a7a0c847b2c3 [0,1,0,1,0,0|2,0,0]=4 18255 B13R1.158 CC1CCCCC1OCCC(=O)N c2cae3c1323e724fd2ca57e7b50a527a [0,1,0,1,0,0|1,0,0]=3 18256 B13R1.158 CC1CCCCC1OCCC(=O)O 6da45ed9f18470aea1f2407b7f8b3529 [0,1,0,1,0,0|0,0,0]=2 18257 B13R1.158 CC1CCCCC1OCCS(=O)C 652f8648bbab01dfde277e5da7998ae1 [0,1,0,1,0,0|2,0,0]=4 18258 B13R1.158 CC1CCCCC1OCSC(=O)N dae6bc3c18fe46ca821d00d1f42aa125 [0,1,0,1,0,0|2,0,0]=4 18259 B13R1.158 CC1CCCCN1C/C=C/C(=O)O 40cfc9adfa6d72d7b49b2ae63fcac813 [0,1,0,1,0,0|0,0,2]=4 18260 B13R1.158 CC1CCCCN1CC=CC(=O)O cefe32af09f693787c95f4e49bc93ee3 [0,1,0,1,0,0|0,0,2]=4 18261 B13R1.158 CC1CCCCN1CCCC(=O)N 913b9b6b4e7fad947d8ded97b6cf5d2c [0,1,0,1,0,0|1,0,0]=3 18262 B13R1.158 CC1CCCCN1CCC[N+](=O)[O-] eef85caa93051e624324c3890f6dcae5 [0,1,0,1,0,0|1,0,1]=4 18263 B13R1.158 CC1CCCCN1CCNC(=O)N 64dea47bb33ecb51058bf8c131dc5538 [0,1,0,1,0,0|2,0,0]=4 18264 B13R1.158 CC1COCCC1NCCC(=O)N 5ff1c99c52dd10e08854d56c7843c9ca [0,1,0,1,0,0|2,0,0]=4 18265 B13R1.158 CC1COCCC1NCCC(=O)O a9a737a8d2581d5c56c6d12013681015 [0,1,0,1,0,0|1,0,0]=3 18266 B13R1.158 CC1COCCC1OCCC(=O)N c1b1912c4e7b4611b95e6323be524a61 [0,1,0,1,0,0|2,0,0]=4 18267 B13R1.158 CC1COCCC1OCCC(=O)O 30d55860bfcf0c7debd7f38a5a4b45b6 [0,1,0,1,0,0|1,0,0]=3 18268 B13R1.158 CC1COCCN1CCCC(=O)N 09e2013ba4d1743626c5e067c2d18eda [0,1,0,1,0,0|2,0,0]=4 18269 B13R1.158 CC1COCCN1CCCC(=O)O 3ad4cba93f2e2a3a14eb736afd8ac6fe [0,1,0,1,0,0|1,0,0]=3 18270 B13R1.158 CN1CCCCC1CNCC(=O)N 04e66c179485c8a5ca2832fe0f9346d3 [0,1,0,1,0,0|2,0,0]=4 18271 B13R1.158 CN1CCCCC1CNCC(=O)O 0aaf2d162d0129eb03f4555b9d3100d3 [0,1,0,1,0,0|1,0,0]=3 18272 B13R1.158 CN1CCCCC1COCC(=O)N a959a8593b3539198d49df0891478bc9 [0,1,0,1,0,0|2,0,0]=4 18273 B13R1.158 CN1CCCCC1COCC(=O)O d7f67f54947d207443a7daad39c8e06a [0,1,0,1,0,0|1,0,0]=3 18274 B13R1.158 CN1CCCCC1COCS(=O)O 312ab4bda0280f848eb326638709fddb [0,1,0,1,0,0|2,0,0]=4 18275 B13R1.158 CN1CCCC[C@@H]1COCC(=O)N 57fe8cd982b81b796a7a2d3a1220cf9e [0,1,0,1,0,0|2,0,0]=4 18276 B13R1.158 CN1CCCC[C@@H]1COCC(=O)O 706a5daea7e6ddbafd9e6299757cb933 [0,1,0,1,0,0|1,0,0]=3 18277 B13R1.158 CN1CCCC[C@H]1COCC(=O)N a1ff841930a9df982ab2f91ecbc6c1bf [0,1,0,1,0,0|2,0,0]=4 18278 B13R1.158 CN1CCCC[C@H]1COCC(=O)O fccf36bdba34c7d489182a64b71f8465 [0,1,0,1,0,0|1,0,0]=3 18279 B13R1.158 CN1CCOCC1CNCC(=O)O bde71dbff8a0cb6187c7d4330658b666 [0,1,0,1,0,0|2,0,0]=4 18280 B13R1.158 CN1CCOCC1COCC(=O)O 3c3c88b60512da0d808ec2064a130ec8 [0,1,0,1,0,0|2,0,0]=4 18281 B13R1.158 CN1CCOC[C@@H]1COCC(=O)O cdb0d76076017d84924665c4b860f5d3 [0,1,0,1,0,0|2,0,0]=4 18282 B13R1.158 CN1CCOC[C@H]1CNCC(=O)O ddf9f746031d376154ae79321c4f7976 [0,1,0,1,0,0|2,0,0]=4 18283 B13R1.158 CN1CCOC[C@H]1COCC(=O)O 097328f7cc07002374daa30524ed96ae [0,1,0,1,0,0|2,0,0]=4 18284 B13R1.158 C[C@@H]1CCCCN1C/C=C/C(=O)O 06eafc1455081c6d787643bf3aeecf79 [0,1,0,1,0,0|0,0,2]=4 18285 B13R1.158 C[C@@H]1CCCCN1CC=CC(=O)O 26a4c4ae18c126b14cf72bd34d085d1b [0,1,0,1,0,0|0,0,2]=4 18286 B13R1.158 C[C@@H]1CCCCN1CCCC(=O)N f6df7307a7dd624d7681afec36b656e1 [0,1,0,1,0,0|1,0,0]=3 18287 B13R1.158 C[C@@H]1CCCCN1CCC[N+](=O)[O-] 25e39335abecfa2f1ea75cbcecce2b0f [0,1,0,1,0,0|1,0,1]=4 18288 B13R1.158 C[C@@H]1CCCCN1CCNC(=O)N bde2291e6ffe70020370e4e4a756f881 [0,1,0,1,0,0|2,0,0]=4 18289 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCC(=O)N cd5cb32e8c20319dcc8dc0ce9350cbdb [0,1,0,1,0,0|1,0,0]=3 18290 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCC(=O)O aa133be24944da604da62c85d412fe79 [0,1,0,1,0,0|0,0,0]=2 18291 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCC(=S)N 9376f4d9b198462a067ff80c4beb0de5 [0,1,0,1,0,0|1,1,0]=4 18292 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCS(=O)C 8d44ad1107d5a8ce9be72bfef8996443 [0,1,0,1,0,0|2,0,0]=4 18293 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCS(=O)O 995c1c6e1c05b04779374fb5189e8f9d [0,1,0,1,0,0|1,0,0]=3 18294 B13R1.158 C[C@@H]1CCCC[C@@H]1NCC[C@@H](C)O 89c35be1dcb411f15cf37172696c2283 [0,1,0,1,0,0|1,0,1]=4 18295 B13R1.158 C[C@@H]1CCCC[C@@H]1NCSC(=O)N 98a4769d2b9cc8ffb93d2221634fd3bb [0,1,0,1,0,0|2,0,0]=4 18296 B13R1.158 C[C@@H]1CCCC[C@@H]1OCCC(=O)N f7a66dd5c7977aec78be97bb7ec3aa8d [0,1,0,1,0,0|1,0,0]=3 18297 B13R1.158 C[C@@H]1CCCC[C@@H]1OCCC(=O)O 14aa046483f5020094adf032aad1e2fe [0,1,0,1,0,0|0,0,0]=2 18298 B13R1.158 C[C@@H]1CCCC[C@@H]1OCCS(=O)C 9fddf27818d28ed519c7ee0a7719ce14 [0,1,0,1,0,0|2,0,0]=4 18299 B13R1.158 C[C@@H]1CCCC[C@@H]1OCC[N+](=O)[O-] d830fdb7c694ef1ca755e64a4dcad0af [0,1,0,1,0,0|1,0,1]=4 18300 B13R1.158 C[C@@H]1CCCC[C@@H]1OCNC(=O)N 1d6289850a03a2f0e7ead6787754d2f9 [0,1,0,1,0,0|2,0,0]=4 18301 B13R1.158 C[C@@H]1CCCC[C@@H]1OCSC(=O)N 3aff9ac235e698c92a6d90443e48d93a [0,1,0,1,0,0|2,0,0]=4 18302 B13R1.158 C[C@@H]1CCCC[C@H]1NCCC(=O)N d5d60101b8166ee4deafdc253dd7de91 [0,1,0,1,0,0|1,0,0]=3 18303 B13R1.158 C[C@@H]1CCCC[C@H]1NCCC(=O)O 15f110f00686dd7c1335531873944da7 [0,1,0,1,0,0|0,0,0]=2 18304 B13R1.158 C[C@@H]1CCCC[C@H]1NCCS(=O)C 915c1c9c75b880b5555c92433ad6f146 [0,1,0,1,0,0|2,0,0]=4 18305 B13R1.158 C[C@@H]1CCCC[C@H]1NCSC(=O)N 82cddf32c2516ba85bc2615eac107818 [0,1,0,1,0,0|2,0,0]=4 18306 B13R1.158 C[C@@H]1COCCN1CCCC(=O)N 47678f384e0de9b073ee2a3086b62afe [0,1,0,1,0,0|2,0,0]=4 18307 B13R1.158 C[C@@H]1COCCN1CCCC(=O)O 2b9502f7d7ad4ed8186a01e6c5bacadc [0,1,0,1,0,0|1,0,0]=3 18308 B13R1.158 C[C@@H]1COCC[C@@H]1NCCC(=O)N 2425ff4f69db391fd748588553cd6d7a [0,1,0,1,0,0|2,0,0]=4 18309 B13R1.158 C[C@@H]1COCC[C@@H]1NCCC(=O)O 946ccec3bb554bd0e0c12848e58b605f [0,1,0,1,0,0|1,0,0]=3 18310 B13R1.158 C[C@H](O)CCN[C@H]1CCCC[C@H]1C b3d6009fca26183b4d520146094508a1 [0,1,0,1,0,0|1,0,1]=4 18311 B13R1.158 C[C@H]1CCCCN1C/C=C/C(=O)O 962d24e05a3311f43480c9017ea1e4e2 [0,1,0,1,0,0|0,0,2]=4 18312 B13R1.158 C[C@H]1CCCCN1CC=CC(=O)O 0b5162efdc593feaeadfcece90b54132 [0,1,0,1,0,0|0,0,2]=4 18313 B13R1.158 C[C@H]1CCCCN1CCCC(=O)N 59eaf3c26f8276f5db6b4ccda824d7f0 [0,1,0,1,0,0|1,0,0]=3 18314 B13R1.158 C[C@H]1CCCCN1CCC[N+](=O)[O-] 6f7618e23ce2f1a0af474cfeffec0c6d [0,1,0,1,0,0|1,0,1]=4 18315 B13R1.158 C[C@H]1CCCCN1CCNC(=O)N 7c28f485b4b43574ebf09a28537f5937 [0,1,0,1,0,0|2,0,0]=4 18316 B13R1.158 C[C@H]1CCCC[C@@H]1NCCC(=O)N c7a4e397e9fe1a6eaaad954ac56cec1f [0,1,0,1,0,0|1,0,0]=3 18317 B13R1.158 C[C@H]1CCCC[C@@H]1NCCC(=O)O 06def0c103161c5828f1687f2b71a4ac [0,1,0,1,0,0|0,0,0]=2 18318 B13R1.158 C[C@H]1CCCC[C@@H]1NCCS(=O)C 69df524aaafef82ce794093814c2df62 [0,1,0,1,0,0|2,0,0]=4 18319 B13R1.158 C[C@H]1CCCC[C@@H]1NCSC(=O)N 91a1e083753fe29d966d0b7659191588 [0,1,0,1,0,0|2,0,0]=4 18320 B13R1.158 C[C@H]1CCCC[C@@H]1OCCC(=O)N 233908e20c3d39dcfa35c1516db40533 [0,1,0,1,0,0|1,0,0]=3 18321 B13R1.158 C[C@H]1CCCC[C@@H]1OCCC(=O)O 684a9187d1a4b0b817532ec3cc0b62c7 [0,1,0,1,0,0|0,0,0]=2 18322 B13R1.158 C[C@H]1CCCC[C@@H]1OCCS(=O)C 0cd8b536fed84397244402d5f6543e13 [0,1,0,1,0,0|2,0,0]=4 18323 B13R1.158 C[C@H]1CCCC[C@@H]1OCSC(=O)N 4091f181a0c49d19a2bd2e39d47d78eb [0,1,0,1,0,0|2,0,0]=4 18324 B13R1.158 C[C@H]1CCCC[C@H]1NCCC(=O)N a178ca822d14f883416c14585637d567 [0,1,0,1,0,0|1,0,0]=3 18325 B13R1.158 C[C@H]1CCCC[C@H]1NCCC(=O)O b6e976e37238028790257ea61d8508e4 [0,1,0,1,0,0|0,0,0]=2 18326 B13R1.158 C[C@H]1CCCC[C@H]1NCCS(=O)C 370451f63724eeef6cbc871557120ee9 [0,1,0,1,0,0|2,0,0]=4 18327 B13R1.158 C[C@H]1CCCC[C@H]1NCSC(=O)N 89e07d3fd0c6ed829788200eb1fc5a02 [0,1,0,1,0,0|2,0,0]=4 18328 B13R1.158 C[C@H]1CCCC[C@H]1OCCC(=O)N 1083f59f7ce9e9f6500e650faa5f55bc [0,1,0,1,0,0|1,0,0]=3 18329 B13R1.158 C[C@H]1CCCC[C@H]1OCCC(=O)O fc7e2c2d95253e955ab98ea49ac717f7 [0,1,0,1,0,0|0,0,0]=2 18330 B13R1.158 C[C@H]1CCCC[C@H]1OCCS(=O)C f52c6e4b8935626e0d5e8bfea54482e0 [0,1,0,1,0,0|2,0,0]=4 18331 B13R1.158 C[C@H]1CCCC[C@H]1OCSC(=O)N e56eb1cec1ca557c5868ed1168658eed [0,1,0,1,0,0|2,0,0]=4 18332 B13R1.158 C[C@H]1COCCN1CCCC(=O)N a259b6df11fcb771e6652e844bba05f9 [0,1,0,1,0,0|2,0,0]=4 18333 B13R1.158 C[C@H]1COCCN1CCCC(=O)O 1556637c9e5874e9a3ed0e3b24156c4b [0,1,0,1,0,0|1,0,0]=3 18334 B13R1.158 C[C@H]1COCC[C@H]1NCCC(=O)N dd8becf80b22c18f14e79bdae4464b14 [0,1,0,1,0,0|2,0,0]=4 18335 B13R1.158 C[C@H]1COCC[C@H]1NCCC(=O)O 1b3d384d324c4eee003eb2979510423f [0,1,0,1,0,0|1,0,0]=3 18336 B13R1.158 NC(=O)CCNC1CCCCC1F 5c31dacd18abcb7bc69375fc6af05faa [0,1,0,1,0,0|2,0,0]=4 18337 B13R1.158 NC(=O)CCNC1CCCCC1O f25963dc5418c9cda00bebd3879ddcaa [0,1,0,1,0,0|2,0,0]=4 18338 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1O 3153be174aa3c97515e5ec83810bcf8a [0,1,0,1,0,0|2,0,0]=4 18339 B13R1.158 NC(=O)CCN[C@H]1CCCC[C@@H]1O fa9b14fde296f3887ce994bb4792e3f3 [0,1,0,1,0,0|2,0,0]=4 18340 B13R1.158 NC(=O)CCN[C@H]1CCCC[C@H]1O 4ca4628abc1d0e5eaed94e2ee0335cbf [0,1,0,1,0,0|2,0,0]=4 18341 B13R1.158 NC(=O)CCOC1CCCCC1F 2dd1758b226930f62909cf65e0c7e07a [0,1,0,1,0,0|2,0,0]=4 18342 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F ba2703f08d6fb8172e437efbd6ead807 [0,1,0,1,0,0|2,0,0]=4 18343 B13R1.158 NC(=O)CNCC1CCCCC1O 94c6bc60fc436bdc6f651a1b9109bda9 [0,1,0,1,0,0|2,0,0]=4 18344 B13R1.158 O=C(O)CCNC1CCCCC1F 2ee3501a4969ee8458cccbdb0b3720fa [0,1,0,1,0,0|1,0,0]=3 18345 B13R1.158 O=C(O)CCNC1CCCCC1O 137f42562a74b7d1a1e7730591773b56 [0,1,0,1,0,0|1,0,0]=3 18346 B13R1.158 O=C(O)CCNC1CCOCC1O 93d79f8d17dc004610daea0ef3c1b482 [0,1,0,1,0,0|2,0,0]=4 18347 B13R1.158 O=C(O)CCN[C@@H]1CCCC[C@H]1O c1881e9c8d64ff6a50d8f8d17ef3c192 [0,1,0,1,0,0|1,0,0]=3 18348 B13R1.158 O=C(O)CCN[C@@H]1CCOC[C@@H]1O 8247adf24e4b0066551031c8090ba7f8 [0,1,0,1,0,0|2,0,0]=4 18349 B13R1.158 O=C(O)CCN[C@@H]1CCOC[C@H]1F 53114c301a5fa71bacd9ebe72360a9fd [0,1,0,1,0,0|2,0,0]=4 18350 B13R1.158 O=C(O)CCN[C@@H]1CCOC[C@H]1O cb63b0069fadb001750504a4f2f80e08 [0,1,0,1,0,0|2,0,0]=4 18351 B13R1.158 O=C(O)CCN[C@@H]1COCC[C@@H]1O 454ea963209d19ee7fe7b98dcbcef715 [0,1,0,1,0,0|2,0,0]=4 18352 B13R1.158 O=C(O)CCN[C@@H]1COCC[C@H]1O ce083666c8e1c794a8b8cfb060a3eec9 [0,1,0,1,0,0|2,0,0]=4 18353 B13R1.158 O=C(O)CCN[C@H]1CCCC[C@@H]1O f752ab52ae6f5c54f3085856e258397b [0,1,0,1,0,0|1,0,0]=3 18354 B13R1.158 O=C(O)CCN[C@H]1CCCC[C@H]1O c1b83dcbb619cd421892efc6e0714604 [0,1,0,1,0,0|1,0,0]=3 18355 B13R1.158 O=C(O)CCN[C@H]1CCOC[C@@H]1F 8975cb2fa86ac0b02da3de15f4913fb4 [0,1,0,1,0,0|2,0,0]=4 18356 B13R1.158 O=C(O)CCN[C@H]1CCOC[C@@H]1O 14d3ced7e6a24c51a69bb49e79ee3d50 [0,1,0,1,0,0|2,0,0]=4 18357 B13R1.158 O=C(O)CCN[C@H]1CCOC[C@H]1O 095a430e25a8422a4fdb6f5223a69cd6 [0,1,0,1,0,0|2,0,0]=4 18358 B13R1.158 O=C(O)CCN[C@H]1COCC[C@@H]1O fcd5e8001ad170137651bd1e6cf1f1d2 [0,1,0,1,0,0|2,0,0]=4 18359 B13R1.158 O=C(O)CCN[C@H]1COCC[C@H]1O 43735487cc615151b8766882dde7257e [0,1,0,1,0,0|2,0,0]=4 18360 B13R1.158 O=C(O)CCOC1CCCCC1F 1be445ea0facfbad12f91a3a5e2b224a [0,1,0,1,0,0|1,0,0]=3 18361 B13R1.158 O=C(O)CCOC1CCOCC1F 7a18e78d7aa5d8f6533be0e6305bccde [0,1,0,1,0,0|2,0,0]=4 18362 B13R1.158 O=C(O)CCO[C@@H]1CCCC[C@H]1F 1bddad5d6b442dfe5deb3ce6e3e5b82e [0,1,0,1,0,0|1,0,0]=3 18363 B13R1.158 O=C(O)CCO[C@@H]1CCOC[C@@H]1F 391246c2a295e96c8d45a5c62c49a27f [0,1,0,1,0,0|2,0,0]=4 18364 B13R1.158 O=C(O)CCO[C@H]1CCOC[C@@H]1F 1ab1223641afa128e69d1d2f17ee9b03 [0,1,0,1,0,0|2,0,0]=4 18365 B13R1.158 O=C(O)CCO[C@H]1CCOC[C@H]1F bf8f19973fb082a990f17c71ce0e95c9 [0,1,0,1,0,0|2,0,0]=4 18366 B13R1.158 O=C(O)CNCC1CCCCC1O 8b32aac0db9d4b641f6a976923480ec5 [0,1,0,1,0,0|1,0,0]=3 18367 B13R1.158 O=C(O)CNCC1CSCCC1O cee7217dbf106922174633c2ba67ce3d [0,1,0,1,0,0|2,0,0]=4 18368 B13R1.158 O=C(O)COCC1CCCCC1=O bd8fff985620b5e2bc60e26ac87cdfa4 [0,1,0,1,0,0|1,0,1]=4 18369 B13R1.158 O=S(O)CCNC1CCCCC1F f2f55e75fc255d57c0b6181e9384d3cd [0,1,0,1,0,0|2,0,0]=4 18370 B13R1.158 O=S(O)CCNC1CCCCC1O a005814e323593e42c45e1f0994c1b35 [0,1,0,1,0,0|2,0,0]=4 18371 B13R1.158 O=S(O)CCN[C@H]1CCCC[C@@H]1O 5bd772217d250d920b8999cdd1f3f1ff [0,1,0,1,0,0|2,0,0]=4 18372 B13R1.245 COC[C@@H]1C[C@@H]1NCCCC(=O)C 3a2cb05cd6a22a541abd9a9843edad1c [0,1,0,1,0,0|2,0,0]=4 18373 B13R1.245 COC[C@@H]1C[C@@H]1NCCCC(=O)N 08976a8f1d20ff3d8eeeef64cd01fcf6 [0,1,0,1,0,0|2,0,0]=4 18374 B13R1.245 COC[C@@H]1C[C@@H]1NCCCC(=O)O 894029d373311da82dcca160b1e9b29f [0,1,0,1,0,0|1,0,0]=3 18375 B13R1.245 COC[C@H]1C[C@@H]1NCCCC(=O)C 078c25ed2adfbc30f13edc284370439b [0,1,0,1,0,0|2,0,0]=4 18376 B13R1.245 COC[C@H]1C[C@@H]1NCCCC(=O)N 5d268e63cbf3cc2bb7761d10aa9fa19e [0,1,0,1,0,0|2,0,0]=4 18377 B13R1.245 COC[C@H]1C[C@@H]1NCCCC(=O)O ff76b75d4ae0ee55ae6c676fb7a8eba9 [0,1,0,1,0,0|1,0,0]=3 18378 B13R1.337 C=C(Br)CCOCC1CCCCC1 37644be9a5edc05ab86043fe285a0e3e [0,1,0,1,0,0|2,0,0]=4 18379 B13R1.337 C=C(Br)CNCCC1CCCCC1 d562eaafce7756375769bc82873c9395 [0,1,0,1,0,0|2,0,0]=4 18380 B13R1.337 C=C(Br)COCCC1CCCCC1 606d6598a40dcb34659afc2e73e75dc4 [0,1,0,1,0,0|2,0,0]=4 18381 B13R1.337 C=C(C)CCCOC1CCCCC1 133163470daa67f7bfd4c618e958e14d [0,1,0,1,0,0|2,0,0]=4 18382 B13R1.337 C=C(C)CCNCC1CCCCC1 1876c7e5559b6415965d717e3c6c3ba8 [0,1,0,1,0,0|2,0,0]=4 18383 B13R1.337 C=C(C)CCOCC1CCCCC1 b44245d388803d1481f22a120d9460aa [0,1,0,1,0,0|2,0,0]=4 18384 B13R1.337 C=C(C)CNCCC1CCCCC1 ba0d1c8c7477091684f0b1b4f204af61 [0,1,0,1,0,0|2,0,0]=4 18385 B13R1.337 C=C(C)COCCC1CCCCC1 7cb24bd27fe56995092bf78bee214bba [0,1,0,1,0,0|2,0,0]=4 18386 B13R1.337 C=C(Cl)CNCCC1CCCCC1 f43fca99a79fd45985891999371742aa [0,1,0,1,0,0|2,0,0]=4 18387 B13R1.337 C=C(Cl)COCCC1CCCCC1 a1484dacfe52ab3bb8cdc8c77bf174ee [0,1,0,1,0,0|2,0,0]=4 18388 B13R1.337 C=C(F)CNCCC1CCCCC1 86615d076a7227ed0109a25e95219d15 [0,1,0,1,0,0|2,0,0]=4 18389 B13R1.337 C=C(F)COCCC1CCCCC1 2d46a317b09ba4f89704815e0bb06c01 [0,1,0,1,0,0|2,0,0]=4 18390 B13R1.337 C=C(I)COCCC1CCCCC1 ebf580e3720185d0283ed3c8e4a8c603 [0,1,0,1,0,0|2,0,0]=4 18391 B13R1.337 CC(=O)CCCCN1CCCOC1 1185d02cd56b0914b0b44beffa2dc16e [0,1,0,1,0,0|2,0,0]=4 18392 B13R1.337 CC(=O)CCCCN1CCCSC1 752d40b0ed80abeb9b3f2307a560f000 [0,1,0,1,0,0|2,0,0]=4 18393 B13R1.337 CC(=O)CCCCN1CCOCC1 3da593932b25cfae37fe70eb8f0f85f8 [0,1,0,1,0,0|2,0,0]=4 18394 B13R1.337 CC(=O)CCCCN1CCSCC1 2c47af0273254479d852290a7f239d7b [0,1,0,1,0,0|2,0,0]=4 18395 B13R1.337 CC(=O)CCCNC1CCCOC1 0823ad1e14e25a9546d92c8830dbda25 [0,1,0,1,0,0|2,0,0]=4 18396 B13R1.337 CC(=O)CCCNC1CCOCC1 7bdb7ab60a95317b0893b6b7d2508e91 [0,1,0,1,0,0|2,0,0]=4 18397 B13R1.337 CC(=O)CCCNC1CCSCC1 dee1dac4c8e988c5add85d18f7a9345a [0,1,0,1,0,0|2,0,0]=4 18398 B13R1.337 CC(=O)CCCN[C@@H]1CCCOC1 3bff21751c1654cc0998ceb69655c3da [0,1,0,1,0,0|2,0,0]=4 18399 B13R1.337 CC(=O)CCCN[C@H]1CCCOC1 e8f9374d500eeec4d75dbae65484cd6f [0,1,0,1,0,0|2,0,0]=4 18400 B13R1.337 CC(=O)CCCOC1CCCCC1 c7fa77ae81b500d3328099e7ddeb3b58 [0,1,0,1,0,0|1,0,0]=3 18401 B13R1.337 CC(=O)CCCOC1CCCCO1 7c8829c4da4e2b7454b4539e4d2c0cc6 [0,1,0,1,0,0|2,0,0]=4 18402 B13R1.337 CC(=O)CCCOC1CCCOC1 60d1e1f890b4e9ff7d07ed8e1f65913c [0,1,0,1,0,0|2,0,0]=4 18403 B13R1.337 CC(=O)CCCOC1CCCSC1 cebd36ef9b6cdbf551272ef70245c6f1 [0,1,0,1,0,0|2,0,0]=4 18404 B13R1.337 CC(=O)CCCOC1CCOCC1 a767dddd173214499e4f2cb2169d9f2b [0,1,0,1,0,0|2,0,0]=4 18405 B13R1.337 CC(=O)CCCOC1CCSCC1 732f605fad15bfbeacb0852d3da1a882 [0,1,0,1,0,0|2,0,0]=4 18406 B13R1.337 CC(=O)CCCO[C@@H]1CCCOC1 6c93feb0ec3bf05cbb9290947d76e5d4 [0,1,0,1,0,0|2,0,0]=4 18407 B13R1.337 CC(=O)CCCO[C@H]1CCCOC1 4fd5c19b17dafb19533da3d4aaadc537 [0,1,0,1,0,0|2,0,0]=4 18408 B13R1.337 CC(=O)CCNCC1CCCCC1 c7b108b7698dd0cc649fab8429ea1b33 [0,1,0,1,0,0|1,0,0]=3 18409 B13R1.337 CC(=O)CCNCC1CCCCO1 1bc5882066c5d674fcf172f326094453 [0,1,0,1,0,0|2,0,0]=4 18410 B13R1.337 CC(=O)CCNCC1CCCOC1 740df91ccaa8bebd7b02cd880520437c [0,1,0,1,0,0|2,0,0]=4 18411 B13R1.337 CC(=O)CCNCC1CCOCC1 59ab8955b983b3508721c906671f4dbe [0,1,0,1,0,0|2,0,0]=4 18412 B13R1.337 CC(=O)CCNCC1CCSCC1 9d301a652d3ecce301e88195b6d4c3cb [0,1,0,1,0,0|2,0,0]=4 18413 B13R1.337 CC(=O)CCNC[C@@H]1CCCOC1 2111d18830b0aacdd3b498b156c4b001 [0,1,0,1,0,0|2,0,0]=4 18414 B13R1.337 CC(=O)CCNC[C@H]1CCCOC1 1433ee650276cd364a724e58ef0816ab [0,1,0,1,0,0|2,0,0]=4 18415 B13R1.337 CC(=O)CCOCC1CCCCC1 5687e83fb0dd15d3c1d7f8c6fb7f4873 [0,1,0,1,0,0|1,0,0]=3 18416 B13R1.337 CC(=O)CCOCC1CCCCO1 6996f4c914ec1ea4842f1363559632f5 [0,1,0,1,0,0|2,0,0]=4 18417 B13R1.337 CC(=O)CCOCC1CCCOC1 99e481d366732e05c0e3a872a67aba40 [0,1,0,1,0,0|2,0,0]=4 18418 B13R1.337 CC(=O)CCOCC1CCOCC1 e77b7bee75e1c4ddbd3110584783fb3e [0,1,0,1,0,0|2,0,0]=4 18419 B13R1.337 CC(=O)CCOCC1CCSCC1 2818202a000abfa0ec580c567945ff6d [0,1,0,1,0,0|2,0,0]=4 18420 B13R1.337 CC(=O)CCOC[C@@H]1CCCCO1 9f25b4e0dc0d827d5008d297d6233b90 [0,1,0,1,0,0|2,0,0]=4 18421 B13R1.337 CC(=O)CCOC[C@@H]1CCCOC1 7141f8da55a3fdc5a1cf89094b5ebd3e [0,1,0,1,0,0|2,0,0]=4 18422 B13R1.337 CC(=O)CCOC[C@H]1CCCCO1 fcb75a97f5541b1f97b93fb1e9a44ed4 [0,1,0,1,0,0|2,0,0]=4 18423 B13R1.337 CC(=O)CCOC[C@H]1CCCOC1 9152114c587be520e745375c66217542 [0,1,0,1,0,0|2,0,0]=4 18424 B13R1.337 CC(=O)CNCCC1CCCCC1 0efea03b6174db844c9dca1268780f04 [0,1,0,1,0,0|1,0,0]=3 18425 B13R1.337 CC(=O)CNCCC1CCCOC1 44fab7c4db45258db23b486564f74899 [0,1,0,1,0,0|2,0,0]=4 18426 B13R1.337 CC(=O)CNCCC1CCOCC1 b707d26b962e366b8b13c820a8d1da35 [0,1,0,1,0,0|2,0,0]=4 18427 B13R1.337 CC(=O)CNCCN1CCCCC1 ce52c769aefa3209b91f0b1da2c382c5 [0,1,0,1,0,0|2,0,0]=4 18428 B13R1.337 CC(=O)CNCOC1CCCCC1 8e7fcdf3184b4aa357c123d06d883a7a [0,1,0,1,0,0|2,0,0]=4 18429 B13R1.337 CC(=O)COCCC1CCCCC1 5c6cbab903cfbcd18871046091020bc1 [0,1,0,1,0,0|1,0,0]=3 18430 B13R1.337 CC(=O)COCCC1CCCOC1 173c677940e270bd38fa4ac745fbde62 [0,1,0,1,0,0|2,0,0]=4 18431 B13R1.337 CC(=O)COCCC1CCOCC1 eaca8c1aaf13b5ec9dac9d26e4c7f69c [0,1,0,1,0,0|2,0,0]=4 18432 B13R1.337 CC(=O)COCCN1CCCCC1 7031a954474e6ef29ce6d36ca394efb7 [0,1,0,1,0,0|2,0,0]=4 18433 B13R1.337 CC(=O)COCOC1CCCCC1 4f273a9e105f4dbc11af1820e827a869 [0,1,0,1,0,0|2,0,0]=4 18434 B13R1.337 CC(=O)NCCCC1CCCCC1 f1a8e674ba84e06e43b29309f41a4da4 [0,1,0,1,0,0|1,0,0]=3 18435 B13R1.337 CC(=O)NCCCC1CCOCC1 161f93a343202a50a88e070352d9ffbc [0,1,0,1,0,0|2,0,0]=4 18436 B13R1.337 CC(=O)NCCCN1CCCCC1 afb020a681eee1f2084a051ac6bc3539 [0,1,0,1,0,0|2,0,0]=4 18437 B13R1.337 CC(=O)NCCNC1CCCCC1 613a2af71e45bc1d884293b898c48d43 [0,1,0,1,0,0|2,0,0]=4 18438 B13R1.337 CC(=O)NCCOC1CCCCC1 c19830d01816f81f42ed8550c0ffefe1 [0,1,0,1,0,0|2,0,0]=4 18439 B13R1.337 CC(=O)NCCSC1CCCCC1 192587c593dc6f921d0b71bdf013fa0a [0,1,0,1,0,0|2,0,0]=4 18440 B13R1.337 CC(=O)NCOCC1CCCCC1 0c6365847e61514f217810335b39ac7b [0,1,0,1,0,0|2,0,0]=4 18441 B13R1.337 CC(=O)OCCOC1CCCCC1 381cd07b127e9a6552cd2dd291e90f04 [0,1,0,1,0,0|2,0,0]=4 18442 B13R1.337 CC(=O)OCNCC1CCCCC1 b275567c48a01c33f90ce1321ca53a80 [0,1,0,1,0,0|2,0,0]=4 18443 B13R1.337 CC(=O)OCOCC1CCCCC1 5f6f4fb3f9f8a082dd310fdc13168e75 [0,1,0,1,0,0|2,0,0]=4 18444 B13R1.337 CC(=O)SCCOC1CCCCC1 3e5222e3da47bcba0770661e786db229 [0,1,0,1,0,0|2,0,0]=4 18445 B13R1.337 CC(O)CCNCC1CCCCC1 aaa866aa6079f3cccc3bbc58cf067181 [0,1,0,1,0,0|1,0,1]=4 18446 B13R1.337 CC(O)CNCCC1CCCCC1 ff36c113951703d24575b0d1948a60a9 [0,1,0,1,0,0|1,0,1]=4 18447 B13R1.337 CS(=O)CCCNC1CCCCC1 ff40de71b9cfe91cac7221fd2c743f63 [0,1,0,1,0,0|2,0,0]=4 18448 B13R1.337 CS(=O)CCNCC1CCCCC1 90fbe2fc4497901a09af289b03c97c34 [0,1,0,1,0,0|2,0,0]=4 18449 B13R1.337 CS(=O)CCOCC1CCCCC1 bf3e68abf84d0e658f1d1f0e4d45b78d [0,1,0,1,0,0|2,0,0]=4 18450 B13R1.337 C[C@@H](O)CCNCC1CCCCC1 dcd5a8cdbd3acbd69a699818c6d22921 [0,1,0,1,0,0|1,0,1]=4 18451 B13R1.337 C[C@@H](O)CNCCC1CCCCC1 c476ea8872dc4b71946dfacf5ed3db83 [0,1,0,1,0,0|1,0,1]=4 18452 B13R1.337 C[C@H](O)CCNCC1CCCCC1 4b29929b466d547feed553447a9db6af [0,1,0,1,0,0|1,0,1]=4 18453 B13R1.337 C[C@H](O)CNCCC1CCCCC1 1974e8d69ca558789317ffeffba1b7ff [0,1,0,1,0,0|1,0,1]=4 18454 B13R1.337 NC(=O)CCCCN1CCCOC1 dc53978612a9c2821b45621e45722213 [0,1,0,1,0,0|2,0,0]=4 18455 B13R1.337 NC(=O)CCCCN1CCCSC1 e6b9c80509e5dadaec9f48c0e92a7967 [0,1,0,1,0,0|2,0,0]=4 18456 B13R1.337 NC(=O)CCCCN1CCOCC1 2055285c0c10a8fd08eab7d76bb1f6f6 [0,1,0,1,0,0|2,0,0]=4 18457 B13R1.337 NC(=O)CCCCN1CCSCC1 17561233936d985177dee5ce3e769478 [0,1,0,1,0,0|2,0,0]=4 18458 B13R1.337 NC(=O)CCCNC1CCCCC1 6572068f91c35c237f07cbcf150aac0a [0,1,0,1,0,0|1,0,0]=3 18459 B13R1.337 NC(=O)CCCNC1CCCCO1 daa626d43943af82e029ae834352c0c3 [0,1,0,1,0,0|2,0,0]=4 18460 B13R1.337 NC(=O)CCCNC1CCCOC1 b7201ec0bd8150b24aa462194ee4e63f [0,1,0,1,0,0|2,0,0]=4 18461 B13R1.337 NC(=O)CCCNC1CCOCC1 b65af3c8cba3c42f1f9efdcabc4cf356 [0,1,0,1,0,0|2,0,0]=4 18462 B13R1.337 NC(=O)CCCNC1CCSCC1 5fc692dcb426e75c40ad084177eba6f6 [0,1,0,1,0,0|2,0,0]=4 18463 B13R1.337 NC(=O)CCCN[C@@H]1CCCOC1 a27f1941ac1d1b336a7322879de32510 [0,1,0,1,0,0|2,0,0]=4 18464 B13R1.337 NC(=O)CCCN[C@H]1CCCOC1 f87e01e43231b1fe4775ba97be2955e3 [0,1,0,1,0,0|2,0,0]=4 18465 B13R1.337 NC(=O)CCCOC1CCCCC1 739743c18b97de91bb7daafa7555accc [0,1,0,1,0,0|1,0,0]=3 18466 B13R1.337 NC(=O)CCCOC1CCCCO1 aad0c81f3a08a650656a5980ae66e109 [0,1,0,1,0,0|2,0,0]=4 18467 B13R1.337 NC(=O)CCCOC1CCCOC1 5e265c5b06ef4d879bc62f00fcd6b7ba [0,1,0,1,0,0|2,0,0]=4 18468 B13R1.337 NC(=O)CCCOC1CCCSC1 93c9caca5d3e6f702c972c030b56fa5e [0,1,0,1,0,0|2,0,0]=4 18469 B13R1.337 NC(=O)CCCOC1CCOCC1 6efbcaaf5fe030767a97ab4141e2ebba [0,1,0,1,0,0|2,0,0]=4 18470 B13R1.337 NC(=O)CCCOC1CCSCC1 1e749eb92e228628d377aed037da8467 [0,1,0,1,0,0|2,0,0]=4 18471 B13R1.337 NC(=O)CCCO[C@@H]1CCCOC1 1108f3a7f2a7f4775afcd9135173542f [0,1,0,1,0,0|2,0,0]=4 18472 B13R1.337 NC(=O)CCCO[C@H]1CCCOC1 0f5e23830e7ed8124bf8eb870f30388a [0,1,0,1,0,0|2,0,0]=4 18473 B13R1.337 NC(=O)CCNCC1CCCCC1 a24af4c88a2f56357ea7572779c150be [0,1,0,1,0,0|1,0,0]=3 18474 B13R1.337 NC(=O)CCNCC1CCCCO1 765f5a5bb7705e72a45182032af84637 [0,1,0,1,0,0|2,0,0]=4 18475 B13R1.337 NC(=O)CCNCC1CCCOC1 96fb5588f4cbe81bd0ea150e2b4f7958 [0,1,0,1,0,0|2,0,0]=4 18476 B13R1.337 NC(=O)CCNCC1CCOCC1 b5924ca4bbfa7310e2a17b212bb1bc38 [0,1,0,1,0,0|2,0,0]=4 18477 B13R1.337 NC(=O)CCNCC1CCSCC1 094dd3235572fad28d331650b44ee7f8 [0,1,0,1,0,0|2,0,0]=4 18478 B13R1.337 NC(=O)CCNC[C@@H]1CCCOC1 a640f8e97432388197c526561de93b01 [0,1,0,1,0,0|2,0,0]=4 18479 B13R1.337 NC(=O)CCNC[C@H]1CCCOC1 2f7898309dd253bef4d2486faa79aee7 [0,1,0,1,0,0|2,0,0]=4 18480 B13R1.337 NC(=O)CCOCC1CCCCC1 47986e5de96bbfb37cfce6f13ab33a23 [0,1,0,1,0,0|1,0,0]=3 18481 B13R1.337 NC(=O)CCOCC1CCCCO1 650e60c59fff922c9db9a288d5d1bfe8 [0,1,0,1,0,0|2,0,0]=4 18482 B13R1.337 NC(=O)CCOCC1CCCOC1 9ec0d42a1e2dae73508e1817911e8c1e [0,1,0,1,0,0|2,0,0]=4 18483 B13R1.337 NC(=O)CCOCC1CCOCC1 5ddc083657dac1dd6f4471b59f01a210 [0,1,0,1,0,0|2,0,0]=4 18484 B13R1.337 NC(=O)CCOCC1CCSCC1 853f827d523724b178af5e08c8986331 [0,1,0,1,0,0|2,0,0]=4 18485 B13R1.337 NC(=O)CCOC[C@@H]1CCCCO1 d798180b9e1859be4f0efd6c7e1f7350 [0,1,0,1,0,0|2,0,0]=4 18486 B13R1.337 NC(=O)CCOC[C@@H]1CCCOC1 7b521d2bad1587abd3ae83d2c92af348 [0,1,0,1,0,0|2,0,0]=4 18487 B13R1.337 NC(=O)CCOC[C@H]1CCCCO1 c4e099f077927e23fb4f838e3f6a84c8 [0,1,0,1,0,0|2,0,0]=4 18488 B13R1.337 NC(=O)CCOC[C@H]1CCCOC1 7afb51635f657791f996907a0dcaffab [0,1,0,1,0,0|2,0,0]=4 18489 B13R1.337 NC(=O)CNCCC1CCCCC1 dab5b1fa1d515e6ff2a9c2387fbf9d1c [0,1,0,1,0,0|1,0,0]=3 18490 B13R1.337 NC(=O)CNCCC1CCCCO1 31bea8a483beffe092b25d3df69c2ce5 [0,1,0,1,0,0|2,0,0]=4 18491 B13R1.337 NC(=O)CNCCC1CCCOC1 56b80ac45a17a4493eb58f269d71643b [0,1,0,1,0,0|2,0,0]=4 18492 B13R1.337 NC(=O)CNCCC1CCOCC1 809b7f9bfbe8183dd155e3f103084fd4 [0,1,0,1,0,0|2,0,0]=4 18493 B13R1.337 NC(=O)CNCCC1CCSCC1 cc06595f6fe4bc19d7a5037ea256f054 [0,1,0,1,0,0|2,0,0]=4 18494 B13R1.337 NC(=O)CNCCN1CCCCC1 6b100c9fca73ebd96dde55ea09d1f97b [0,1,0,1,0,0|2,0,0]=4 18495 B13R1.337 NC(=O)CNCOC1CCCCC1 8ecc6f4442d20dce0cc5f3ab096b27d1 [0,1,0,1,0,0|2,0,0]=4 18496 B13R1.337 NC(=O)COCCC1CCCCC1 46306880bd74b4c65762b9f873ea7e79 [0,1,0,1,0,0|1,0,0]=3 18497 B13R1.337 NC(=O)COCCC1CCCCO1 deb6d46498d08de38c2158f2ed7a61a1 [0,1,0,1,0,0|2,0,0]=4 18498 B13R1.337 NC(=O)COCCC1CCCOC1 ff6d7203e3c5d65b2038013c18737dc1 [0,1,0,1,0,0|2,0,0]=4 18499 B13R1.337 NC(=O)COCCC1CCOCC1 dd24e0db876b498cb93feaee238ffa0c [0,1,0,1,0,0|2,0,0]=4 18500 B13R1.337 NC(=O)COCCC1CCSCC1 aaf3caa92946456df222063a5189c4b5 [0,1,0,1,0,0|2,0,0]=4 18501 B13R1.337 NC(=O)COCCN1CCCCC1 16b24ee5fcac6c884f88328626d7b43c [0,1,0,1,0,0|2,0,0]=4 18502 B13R1.337 NC(=O)COCOC1CCCCC1 6fbe648f86ac0f7dd2136322a71cf6f4 [0,1,0,1,0,0|2,0,0]=4 18503 B13R1.337 NC(=O)NCCOC1CCCCC1 be0ad05c3e26228fe2ae743d5bc951bd [0,1,0,1,0,0|2,0,0]=4 18504 B13R1.337 NC(=O)NCOCC1CCCCC1 ed7ca5934ca3d9b3031ea2cf4902f5f0 [0,1,0,1,0,0|2,0,0]=4 18505 B13R1.337 NC(=O)SCNCC1CCCCC1 5d3177058cae3a4d6b4e09075c25f648 [0,1,0,1,0,0|2,0,0]=4 18506 B13R1.337 NC(=O)SCOCC1CCCCC1 60dc7b8492776464f7ff9adcefe6bfd1 [0,1,0,1,0,0|2,0,0]=4 18507 B13R1.337 NC(=S)CCNCC1CCCCC1 c35f8e2bc52e07f82c3f1e84b0c11d82 [0,1,0,1,0,0|1,1,0]=4 18508 B13R1.337 NC(=S)COCCC1CCCCC1 a13e1bd81eac2a252a761ec5d392d719 [0,1,0,1,0,0|1,1,0]=4 18509 B13R1.337 O=C(O)/C=C/CNC1CCCCC1 bf665206e854606d4919a3d8db98d5a3 [0,1,0,1,0,0|0,0,2]=4 18510 B13R1.337 O=C(O)/C=C/COC1CCCCC1 1cb6444fb6febf81ad65f6ff89f56bfb [0,1,0,1,0,0|0,0,2]=4 18511 B13R1.337 O=C(O)C#CCNC1CCCCC1 67f49ef59a362c24fa4fd3be257f9e68 [0,1,0,1,0,0|0,0,2]=4 18512 B13R1.337 O=C(O)C#CCOC1CCCCC1 1a90491ed9f7606632b98abb5b27eaa4 [0,1,0,1,0,0|0,0,2]=4 18513 B13R1.337 O=C(O)C=CCNC1CCCCC1 885c048393cf2678257c0ac6803e12df [0,1,0,1,0,0|0,0,2]=4 18514 B13R1.337 O=C(O)C=CCOC1CCCCC1 dbd9b6504d6681fcbec50ac5887ffa87 [0,1,0,1,0,0|0,0,2]=4 18515 B13R1.337 O=C(O)CCCCN1CC=CCC1 b0b801cf5f4f097667b4d781ae5875af [0,1,0,1,0,0|0,0,2]=4 18516 B13R1.337 O=C(O)CCCCN1CCCSC1 9b03607e51c3e26d8e037ee1069618cb [0,1,0,1,0,0|1,0,0]=3 18517 B13R1.337 O=C(O)CCCCN1CCOCC1 68d21f62795337cfcbd75282c1157fcb [0,1,0,1,0,0|1,0,0]=3 18518 B13R1.337 O=C(O)CCCCN1CCSCC1 289a23fc9adc9844dc73098592690f8f [0,1,0,1,0,0|1,0,0]=3 18519 B13R1.337 O=C(O)CCCNC1C=CCCC1 f7e7a9cfc626f482735f10adc59c483b [0,1,0,1,0,0|0,0,2]=4 18520 B13R1.337 O=C(O)CCCNC1CCOCC1 320bdb8419436c1674ce9a638d6c2242 [0,1,0,1,0,0|1,0,0]=3 18521 B13R1.337 O=C(O)CCCNC1CCSCC1 a1b610e6445302a35557bafcd819c7ea [0,1,0,1,0,0|1,0,0]=3 18522 B13R1.337 O=C(O)CCCOC1CCCCC1 6b1e18a305e1bfd92970b29199a53f07 [0,1,0,1,0,0|0,0,0]=2 18523 B13R1.337 O=C(O)CCCOC1CCOCC1 2d3a510b4a16a5cf1863ed037a44e22e [0,1,0,1,0,0|1,0,0]=3 18524 B13R1.337 O=C(O)CCCOC1CCSCC1 2e5252a8a16ba814204aaf70173545a6 [0,1,0,1,0,0|1,0,0]=3 18525 B13R1.337 O=C(O)CCNCC1CC=CCC1 0e70932118b1b59bcc53a63c17d271c8 [0,1,0,1,0,0|0,0,2]=4 18526 B13R1.337 O=C(O)CCNCC1CCCCC1 fc75ae2f0974c7a29895ed4154af644e [0,1,0,1,0,0|0,0,0]=2 18527 B13R1.337 O=C(O)CCNCC1CCCCO1 d8cc3a1b046d2f632c673fc25fa7b175 [0,1,0,1,0,0|1,0,0]=3 18528 B13R1.337 O=C(O)CCNCC1CCCOC1 02fd2dc864b245b80c5b0b43d3ad4335 [0,1,0,1,0,0|1,0,0]=3 18529 B13R1.337 O=C(O)CCNCC1CCOCC1 e9fd332fc81abc5cdcb4b3c0dc2cb186 [0,1,0,1,0,0|1,0,0]=3 18530 B13R1.337 O=C(O)CCNCC1CCSCC1 a13ce790d7e72a9e807d648a5db61c17 [0,1,0,1,0,0|1,0,0]=3 18531 B13R1.337 O=C(O)CCNCC1COCCO1 7c8dd70d237fba52242d17420461d010 [0,1,0,1,0,0|2,0,0]=4 18532 B13R1.337 O=C(O)CCNC[C@@H]1CCCOC1 ab036dae7fbde053726dfe7d1263e15f [0,1,0,1,0,0|1,0,0]=3 18533 B13R1.337 O=C(O)CCNC[C@H]1CCCOC1 2864898cc9243edeaffe33161c404014 [0,1,0,1,0,0|1,0,0]=3 18534 B13R1.337 O=C(O)CCNC[C@H]1COCCO1 f551eb243b93ec96e0eb3de05bbdbb58 [0,1,0,1,0,0|2,0,0]=4 18535 B13R1.337 O=C(O)CCOCC1CC=CCC1 891dfe4ceae63a70d84f93b70aea8300 [0,1,0,1,0,0|0,0,2]=4 18536 B13R1.337 O=C(O)CCOCC1CCCCC1 7dce55788e1ee6d5eb1868483f5c473b [0,1,0,1,0,0|0,0,0]=2 18537 B13R1.337 O=C(O)CCOCC1CCCCO1 233083c7b2fe9f47e6ac38ecba5cddf5 [0,1,0,1,0,0|1,0,0]=3 18538 B13R1.337 O=C(O)CCOCC1CCCOC1 91d966c921cf18cfffc49a61ff185373 [0,1,0,1,0,0|1,0,0]=3 18539 B13R1.337 O=C(O)CCOCC1CCOCC1 eac1003975d546388424b4837c58d6b9 [0,1,0,1,0,0|1,0,0]=3 18540 B13R1.337 O=C(O)CCOCC1CCSCC1 4221d719fe29c1d6f552f72cee68eb7e [0,1,0,1,0,0|1,0,0]=3 18541 B13R1.337 O=C(O)CCOCC1COCCO1 26520fa9c8f5dff1daa5c398b58144c7 [0,1,0,1,0,0|2,0,0]=4 18542 B13R1.337 O=C(O)CCOC[C@@H]1CC=CCC1 b13e461fe98857f61d7c0241cafe052d [0,1,0,1,0,0|0,0,2]=4 18543 B13R1.337 O=C(O)CCOC[C@@H]1CCCCO1 20c04f936ab69963787601ec105942bf [0,1,0,1,0,0|1,0,0]=3 18544 B13R1.337 O=C(O)CCOC[C@@H]1CCCOC1 6594edd1670355956b16d72dd7ff5288 [0,1,0,1,0,0|1,0,0]=3 18545 B13R1.337 O=C(O)CCOC[C@@H]1COCCO1 967505efc124181aa81bb848b9f8a6de [0,1,0,1,0,0|2,0,0]=4 18546 B13R1.337 O=C(O)CCOC[C@H]1CC=CCC1 98852d52117d3cc7a526691f94529cc5 [0,1,0,1,0,0|0,0,2]=4 18547 B13R1.337 O=C(O)CCOC[C@H]1CCCCO1 3cea95a7b27d5d81b47f2699d7da1fb8 [0,1,0,1,0,0|1,0,0]=3 18548 B13R1.337 O=C(O)CCOC[C@H]1CCCOC1 d45e6e3ff8e6657017edb6bce5285ef5 [0,1,0,1,0,0|1,0,0]=3 18549 B13R1.337 O=C(O)CCOC[C@H]1COCCO1 951e6e3ad007a63ae9047540b4fec3c7 [0,1,0,1,0,0|2,0,0]=4 18550 B13R1.337 O=C(O)CNCCC1=CCCCC1 00f5350ae08f460bfe33a3cbd13851fd [0,1,0,1,0,0|0,0,2]=4 18551 B13R1.337 O=C(O)CNCCC1CCCCC1 a22a934692edc7345f5e072a8623c5a6 [0,1,0,1,0,0|0,0,0]=2 18552 B13R1.337 O=C(O)CNCCC1CCCCO1 dc6af52c97b937394dfaf09ee2fb41ee [0,1,0,1,0,0|1,0,0]=3 18553 B13R1.337 O=C(O)CNCCC1CCCOC1 6f69ce6014f10f18303819ffb0d9551f [0,1,0,1,0,0|1,0,0]=3 18554 B13R1.337 O=C(O)CNCCC1CCOCC1 4f236bbb3d1bc5fa493f1f5776c03937 [0,1,0,1,0,0|1,0,0]=3 18555 B13R1.337 O=C(O)CNCCC1CCSCC1 48f4b2462f57262200cedabe046968cf [0,1,0,1,0,0|1,0,0]=3 18556 B13R1.337 O=C(O)CNCCC1COCCO1 e47ea08adbb5721ca28362d9390f3d61 [0,1,0,1,0,0|2,0,0]=4 18557 B13R1.337 O=C(O)CNCCN1CCCCC1 4d43141580f5bacb41804be0ef5f7db4 [0,1,0,1,0,0|1,0,0]=3 18558 B13R1.337 O=C(O)CNCCN1CCCCO1 0a441aabc30d041b0486facfae1fe52f [0,1,0,1,0,0|2,0,0]=4 18559 B13R1.337 O=C(O)CNCCN1CCOCC1 ff806c84caf58fde636818aa5542e784 [0,1,0,1,0,0|2,0,0]=4 18560 B13R1.337 O=C(O)CNCCN1CCSCC1 6053ebe0b13cbe09f9eb34f6629882da [0,1,0,1,0,0|2,0,0]=4 18561 B13R1.337 O=C(O)CNCOC1CCCCC1 eefbebadbaea5f7d1cfcaebc41dd57cb [0,1,0,1,0,0|1,0,0]=3 18562 B13R1.337 O=C(O)COCC=C1CCCCC1 2d5237cf60d4fae91332047460333ce1 [0,1,0,1,0,0|0,0,2]=4 18563 B13R1.337 O=C(O)COCCC1CCCCC1 42fb277ba160c66dc1d0322e91d18d3c [0,1,0,1,0,0|0,0,0]=2 18564 B13R1.337 O=C(O)COCCC1CCCCO1 8217ba50ebf61f29b984b15e82ebf80d [0,1,0,1,0,0|1,0,0]=3 18565 B13R1.337 O=C(O)COCCC1CCCOC1 93e9531104decd9c18472249a345daf2 [0,1,0,1,0,0|1,0,0]=3 18566 B13R1.337 O=C(O)COCCC1CCOCC1 a60405a860ddd0197406bdead8225074 [0,1,0,1,0,0|1,0,0]=3 18567 B13R1.337 O=C(O)COCCC1CCSCC1 a33cda6a2bdeaf2ad98cbfa3734f5519 [0,1,0,1,0,0|1,0,0]=3 18568 B13R1.337 O=C(O)COCCC1COCCO1 ed13a1a806cf03f52d10a93ce92d5244 [0,1,0,1,0,0|2,0,0]=4 18569 B13R1.337 O=C(O)COCCC1SCCCS1 33b145114455a89ec4c5c280d737845c [0,1,0,1,0,0|2,0,0]=4 18570 B13R1.337 O=C(O)COCCN1CCCCC1 674a0da58d88159865b5ae708c78f064 [0,1,0,1,0,0|1,0,0]=3 18571 B13R1.337 O=C(O)COCCN1CCCOC1 7e1e0f8cdab890d0fdf60858d6cf2d85 [0,1,0,1,0,0|2,0,0]=4 18572 B13R1.337 O=C(O)COCCN1CCCSC1 b6ac6509bd8fc557c0f82d81a2939a65 [0,1,0,1,0,0|2,0,0]=4 18573 B13R1.337 O=C(O)COCCN1CCOCC1 a02ec6424d45023ed010b0ca8cafdc41 [0,1,0,1,0,0|2,0,0]=4 18574 B13R1.337 O=C(O)COCCN1CCSCC1 cd79803a3cc66f8fcb1877acb9236feb [0,1,0,1,0,0|2,0,0]=4 18575 B13R1.337 O=C(O)COCC[C@@H]1COCCO1 9a9465a8cae2f3d49631ba16578cff3c [0,1,0,1,0,0|2,0,0]=4 18576 B13R1.337 O=C(O)COCC[C@H]1COCCO1 2d7dd0dc94453d720eb00bf9c65477b5 [0,1,0,1,0,0|2,0,0]=4 18577 B13R1.337 O=C(O)COCOC1CCCCC1 554d96d76fce64331fab4dff8998181a [0,1,0,1,0,0|1,0,0]=3 18578 B13R1.337 O=S(O)CCNCC1CCCCC1 012fa50cc0d5e6e7b024e07f7f25c90c [0,1,0,1,0,0|1,0,0]=3 18579 B13R1.337 O=S(O)CCNCC1CCCCO1 da7e35c23f9ff02c07e00c7d002b9146 [0,1,0,1,0,0|2,0,0]=4 18580 B13R1.337 O=S(O)CCNCC1CCCOC1 07afb93171b92289c793cb2c4d8c5357 [0,1,0,1,0,0|2,0,0]=4 18581 B13R1.337 O=S(O)CCNCC1CCOCC1 586e67c44ff432afdc72a804da22f593 [0,1,0,1,0,0|2,0,0]=4 18582 B13R1.337 O=S(O)CCNCC1CCSCC1 7b08607b24540514b754d4f3bf200e55 [0,1,0,1,0,0|2,0,0]=4 18583 B13R1.337 O=S(O)COCCC1CCCCC1 7c9af9b088605a0fff00d6e7fc0661f6 [0,1,0,1,0,0|1,0,0]=3 18584 B13R1.337 O=S(O)COCCC1CCCOC1 3998a5d35e901a3e282500c081807832 [0,1,0,1,0,0|2,0,0]=4 18585 B13R1.337 O=S(O)COCCC1CCOCC1 bc7c2378c6859780c5423683c3eeaed9 [0,1,0,1,0,0|2,0,0]=4 18586 B13R1.337 O=S(O)COCCN1CCCCC1 b2a9c4d6c681b2d1857cabc5896d5b3b [0,1,0,1,0,0|2,0,0]=4 18587 B13R1.337 O=S(O)COCOC1CCCCC1 86272ea19a7952d3fb937b32cc765d4f [0,1,0,1,0,0|2,0,0]=4 18588 B13R1.337 O=[N+]([O-])CCCOC1CCCCC1 947cf8262585a870b9c3cfeb070d8136 [0,1,0,1,0,0|1,0,1]=4 18589 B13R1.337 O=[N+]([O-])CCOCC1CCCCC1 0338de3cf7c5a9c4b8d29b2ba86aa297 [0,1,0,1,0,0|1,0,1]=4 18590 B13R1.337 O=[N+]([O-])CNCCC1CCCCC1 ce0ac81779da2504b1d775a83a7bbdfb [0,1,0,1,0,0|1,0,1]=4 18591 B13R1.337 O=[N+]([O-])COCCC1CCCCC1 e37bad6ba73192e25219c82b9c263f73 [0,1,0,1,0,0|1,0,1]=4 18592 B13R1.491 CCCCN1CC(C1)OCC(=O)O 2fb21ea928830190f66d16d36be35bdf [0,1,0,1,0,0|2,0,0]=4 18593 B13R1.491 CCCOC1CN(C1)CCC(=O)O 57e9654bdc755100599cb20144b3a8fc [0,1,0,1,0,0|2,0,0]=4 18594 B13R1.491 COCCC1CN(C1)CCC(=O)O 6235b29e40b5b44499084636d63f328b [0,1,0,1,0,0|2,0,0]=4 18595 B13R1.568 CCCCN1CCCC(C1)C(=O)C d711314e538a2cc32176adef7c47a133 [0,1,0,1,0,0|2,0,0]=4 18596 B13R1.568 CCCCN1CCCC(C1)C(=O)N 804aa46ec3b78bb555ac3aaead87d70b [0,1,0,1,0,0|2,0,0]=4 18597 B13R1.568 CCCCN1CCCC(C1)C(=O)O 40a052082af98ca9d207c4e6ad492377 [0,1,0,1,0,0|1,0,0]=3 18598 B13R1.568 CCCCN1CCC[C@@H](C1)C(=O)N 5a6bdc0ea3f5e08cbd85e3a37aaa173b [0,1,0,1,0,0|2,0,0]=4 18599 B13R1.568 CCCCN1CCC[C@@H](C1)C(=O)O dff5a3b012208db1394e8c1e15c0ed3d [0,1,0,1,0,0|1,0,0]=3 18600 B13R1.568 CCCCN1CCC[C@H](C1)C(=O)N f3fd5bbe76d47f2c205370a29e9c5f04 [0,1,0,1,0,0|2,0,0]=4 18601 B13R1.568 CCCCN1CCC[C@H](C1)C(=O)O d0f043b630eba4bc1e5ef3c9958e167c [0,1,0,1,0,0|1,0,0]=3 18602 B13R1.568 CCCCN1CCOC(C1)C(=O)O 044a2451e4543b27a261fd6d7abb80f8 [0,1,0,1,0,0|2,0,0]=4 18603 B13R1.568 CCCCN1CCO[C@@H](C1)C(=O)O 2148e6fdcf81c90301d3f6f26f245815 [0,1,0,1,0,0|2,0,0]=4 18604 B13R1.568 CCCCN1CCO[C@H](C1)C(=O)O 60726515c4eac24cadee8f4bec8084f1 [0,1,0,1,0,0|2,0,0]=4 18605 B13R1.568 CCCCN1CCSC(C1)C(=O)O 8117e0968af065a0b21c58bae4c2bb95 [0,1,0,1,0,0|2,0,0]=4 18606 B13R1.568 CCCNC1CCCC(C1)C(=O)N 9655c87e71805f838a967b8af8dfd77f [0,1,0,1,0,0|2,0,0]=4 18607 B13R1.568 CCCNC1CCCC(C1)C(=O)O 4b88d11e523d4990c2efd8aef743df12 [0,1,0,1,0,0|1,0,0]=3 18608 B13R1.568 CCCN[C@@H]1CCC[C@@H](C1)C(=O)N 5e9fbe72c0feeac3e8c5437c90e3352e [0,1,0,1,0,0|2,0,0]=4 18609 B13R1.568 CCCN[C@@H]1CCC[C@@H](C1)C(=O)O 91738e1fd93347dbba8f77b22a5942d4 [0,1,0,1,0,0|1,0,0]=3 18610 B13R1.568 CCCN[C@@H]1CCC[C@H](C1)C(=O)N 81a5a67d623657cc828df2d7c276b1b9 [0,1,0,1,0,0|2,0,0]=4 18611 B13R1.568 CCCN[C@@H]1CCC[C@H](C1)C(=O)O b5b38f813d2e67b3cadfe258bea4384f [0,1,0,1,0,0|1,0,0]=3 18612 B13R1.568 CCCN[C@H]1CCC[C@@H](C1)C(=O)N 29bad48f7bdaa84f2511945eebd1c2d0 [0,1,0,1,0,0|2,0,0]=4 18613 B13R1.568 CCCN[C@H]1CCC[C@@H](C1)C(=O)O f50a64b37ee9bb16e09668c486cc2722 [0,1,0,1,0,0|1,0,0]=3 18614 B13R1.568 CCCN[C@H]1CCC[C@H](C1)C(=O)N b38ada6e0aafc36029365e95261b3cbb [0,1,0,1,0,0|2,0,0]=4 18615 B13R1.568 CCCN[C@H]1CCC[C@H](C1)C(=O)O 81a1b645711262faaaceaaeb6f718a53 [0,1,0,1,0,0|1,0,0]=3 18616 B13R1.568 CCCOC1C=C(CCC1)C(=O)O 3fdeff2257702f1368e0931b79aefdd4 [0,1,0,1,0,0|1,0,1]=4 18617 B13R1.568 CCCOC1CCCC(C1)C(=O)O 53c560f412484b586bd9bee6a69d8fcb [0,1,0,1,0,0|1,0,0]=3 18618 B13R1.568 CCCO[C@@H]1CCC[C@@H](C1)C(=O)O bde903c1c3b50ef1588d4c39a837385e [0,1,0,1,0,0|1,0,0]=3 18619 B13R1.568 CCCO[C@@H]1CCC[C@H](C1)C(=O)O d4797457d1581ba60da0f99ce5945bdb [0,1,0,1,0,0|1,0,0]=3 18620 B13R1.568 CCCO[C@H]1CCC[C@@H](C1)C(=O)O ae32b82df38d59da2caade36db371fd9 [0,1,0,1,0,0|1,0,0]=3 18621 B13R1.568 CCCO[C@H]1CCC[C@H](C1)C(=O)O 515f9acb795a6e30da4f55ce5b039e13 [0,1,0,1,0,0|1,0,0]=3 18622 B13R1.568 CCOCC1CCCC(C1)C(=O)O 44391d66adc33b6e8b495c72138b7a7e [0,1,0,1,0,0|1,0,0]=3 18623 B13R1.568 CCOCN1CCCC(C1)C(=O)O 855e1fa6ae95f38cf5c92c28ce553a3e [0,1,0,1,0,0|2,0,0]=4 18624 B13R1.568 CCOCN1CCC[C@@H](C1)C(=O)O eb04b418feaa8a6f291ab180c540bbd3 [0,1,0,1,0,0|2,0,0]=4 18625 B13R1.568 CCOCN1CCC[C@H](C1)C(=O)O 80b4b23fbabb455a3dd6e59b5bfec219 [0,1,0,1,0,0|2,0,0]=4 18626 B13R1.568 COCCN1CCCC(C1)C(=O)O 834c9a9454fb927b801c79fa491e2987 [0,1,0,1,0,0|2,0,0]=4 18627 B13R1.568 COCCN1CCC[C@@H](C1)C(=O)O e94d6e8918c2640f94f5cc23b0eaba6b [0,1,0,1,0,0|2,0,0]=4 18628 B13R1.568 COCCN1CCC[C@H](C1)C(=O)O 766cb8efe5656faaffe110c2960d149a [0,1,0,1,0,0|2,0,0]=4 18629 B13R1.568 COCNC1CCCC(C1)C(=O)O 963295614a21d0357411bed01a1b5d1f [0,1,0,1,0,0|2,0,0]=4 18630 B13R1.568 COCN[C@@H]1CCC[C@@H](C1)C(=O)O 937e47fd11bb2cc4bda1b6792b3ff91a [0,1,0,1,0,0|2,0,0]=4 18631 B13R1.568 COCN[C@@H]1CCC[C@H](C1)C(=O)O fb8b25da9cfa7a3c71490574ca20623a [0,1,0,1,0,0|2,0,0]=4 18632 B13R1.568 COCN[C@H]1CCC[C@@H](C1)C(=O)O f368228200fc185784d40a6131fdebb3 [0,1,0,1,0,0|2,0,0]=4 18633 B13R1.568 COCN[C@H]1CCC[C@H](C1)C(=O)O 90fbb1228398247fa33e291eb4f8e329 [0,1,0,1,0,0|2,0,0]=4 18634 B13R1.568 COCOC1CCCC(C1)C(=O)O 51a55e16ceab4b7efa3c4da1c2caf549 [0,1,0,1,0,0|2,0,0]=4 18635 B13R1.568 COCO[C@@H]1CCC[C@@H](C1)C(=O)O 85853cc4d8579bbca28c5386a9af711d [0,1,0,1,0,0|2,0,0]=4 18636 B13R1.568 COCO[C@@H]1CCC[C@H](C1)C(=O)O 5951b0f380ecd2fecb64424d84f47c14 [0,1,0,1,0,0|2,0,0]=4 18637 B13R1.568 COCO[C@H]1CCC[C@@H](C1)C(=O)O 9de0c59a62e33f9303936d465ff2aed4 [0,1,0,1,0,0|2,0,0]=4 18638 B13R1.568 COCO[C@H]1CCC[C@H](C1)C(=O)O 2a5e33a7510a57f7f961aa37526fa031 [0,1,0,1,0,0|2,0,0]=4 18639 B13R1.568 CSCCN1CCCC(C1)C(=O)O 46f110ebc5bf2151ae5d7cfa4ab4d5d2 [0,1,0,1,0,0|2,0,0]=4 18640 B13R1.568 CSCCN1CCC[C@@H](C1)C(=O)O f096ab2c0a0178adc66b154538bea2b2 [0,1,0,1,0,0|2,0,0]=4 18641 B13R1.568 CSCCN1CCC[C@H](C1)C(=O)O 730c1f937c7c83f8591dcf0b7be75380 [0,1,0,1,0,0|2,0,0]=4 18642 B13R1.568 CSCNC1CCCC(C1)C(=O)O a70a9d8642d5c540e20359ea0e49acb8 [0,1,0,1,0,0|2,0,0]=4 18643 B13R1.568 CSCN[C@@H]1CCC[C@@H](C1)C(=O)O 1dd955d421614430e1bd782ac560ec39 [0,1,0,1,0,0|2,0,0]=4 18644 B13R1.568 CSCN[C@@H]1CCC[C@H](C1)C(=O)O f5076cd3ce6c9a6161dbaca028b9c215 [0,1,0,1,0,0|2,0,0]=4 18645 B13R1.568 CSCN[C@H]1CCC[C@@H](C1)C(=O)O 9631af246feed57226d0889f1077f656 [0,1,0,1,0,0|2,0,0]=4 18646 B13R1.568 CSCN[C@H]1CCC[C@H](C1)C(=O)O f14518dddc0f7ed1a9815bcdc31b59be [0,1,0,1,0,0|2,0,0]=4 18647 B13R1.568 CSCOC1CCCC(C1)C(=O)O 2269d2713683d7aed807a3572a4abdd5 [0,1,0,1,0,0|2,0,0]=4 18648 B13R1.568 CSCO[C@@H]1CCC[C@@H](C1)C(=O)O 88f3145ff3609e1b43325e75a0bf04f3 [0,1,0,1,0,0|2,0,0]=4 18649 B13R1.568 CSCO[C@@H]1CCC[C@H](C1)C(=O)O 0da9949e3c8460606e9dd047fb09e988 [0,1,0,1,0,0|2,0,0]=4 18650 B13R1.568 CSCO[C@H]1CCC[C@@H](C1)C(=O)O 4b19130ed94d8aee8e62ca07a675caed [0,1,0,1,0,0|2,0,0]=4 18651 B13R1.568 CSCO[C@H]1CCC[C@H](C1)C(=O)O 8bf0078f23b822b5b9be1cdbaa433c7b [0,1,0,1,0,0|2,0,0]=4 18652 B13R1.568 O=C(O)C1CCCC(C1)COCF 230469c2973a0463a8353e9e1033f4b9 [0,1,0,1,0,0|2,0,0]=4 18653 B13R1.568 O=C(O)C1CCCC(C1)NCCF acbed3296f58474a1f0aa12c97ae751b [0,1,0,1,0,0|2,0,0]=4 18654 B13R1.568 O=C(O)C1CCCC(C1)NCCO 5c3bb0415a31947219e72486c0ea342c [0,1,0,1,0,0|2,0,0]=4 18655 B13R1.568 O=C(O)C1CCCC(C1)NCCS 15fa187a1e903239b5ab1674e278d603 [0,1,0,1,0,0|2,0,0]=4 18656 B13R1.568 O=C(O)C1CCCC(C1)OCCF f6ff4e60bdd886b5e5ee3f4abf969f0a [0,1,0,1,0,0|2,0,0]=4 18657 B13R1.568 O=C(O)C1CCCC(C1)OCCS e7bec0783a3e2c31c8d1e6dafec73f06 [0,1,0,1,0,0|2,0,0]=4 18658 B13R1.568 O=C(O)C1CCCN(C1)CCCF fb3877960c536352c592b189c3151e97 [0,1,0,1,0,0|2,0,0]=4 18659 B13R1.568 O=C(O)C1CCCN(C1)CCCO 7bd259fb857473be1cd6f1677052c0bd [0,1,0,1,0,0|2,0,0]=4 18660 B13R1.568 O=C(O)C1CCCN(C1)CCCS 80a16daeb3676930fb8eb578bb7bf773 [0,1,0,1,0,0|2,0,0]=4 18661 B13R1.568 O=C(O)[C@@H]1CCCN(C1)CCCF ef4c270ab5a444df5ff3454d7816e755 [0,1,0,1,0,0|2,0,0]=4 18662 B13R1.568 O=C(O)[C@@H]1CCCN(C1)CCCO ac896dd7907bc9c5c4dad967d17ab2b6 [0,1,0,1,0,0|2,0,0]=4 18663 B13R1.568 O=C(O)[C@@H]1CCCN(C1)CCCS c1e5501cd89160a76f124d1b753d4160 [0,1,0,1,0,0|2,0,0]=4 18664 B13R1.568 O=C(O)[C@@H]1CCC[C@@H](C1)NCCF e2b68947ad51fac1ff2be2d04da04ef4 [0,1,0,1,0,0|2,0,0]=4 18665 B13R1.568 O=C(O)[C@@H]1CCC[C@@H](C1)NCCO 9c51e88c7e720a4c73914037cb33b815 [0,1,0,1,0,0|2,0,0]=4 18666 B13R1.568 O=C(O)[C@@H]1CCC[C@@H](C1)NCCS fd920e32c8f30e86cdd40ce58e42e7cb [0,1,0,1,0,0|2,0,0]=4 18667 B13R1.568 O=C(O)[C@@H]1CCC[C@@H](C1)OCCF 48e8db4c2eac1ab7c91a91f3429bda6f [0,1,0,1,0,0|2,0,0]=4 18668 B13R1.568 O=C(O)[C@@H]1CCC[C@@H](C1)OCCS 79da244da42764c3eb08f897e30e3e67 [0,1,0,1,0,0|2,0,0]=4 18669 B13R1.568 O=C(O)[C@@H]1CCC[C@H](C1)NCCF c3d4894389b177ed86768e06bdcdb9b2 [0,1,0,1,0,0|2,0,0]=4 18670 B13R1.568 O=C(O)[C@@H]1CCC[C@H](C1)NCCO a37485260f42691b7e8d5fe2b7e1640a [0,1,0,1,0,0|2,0,0]=4 18671 B13R1.568 O=C(O)[C@@H]1CCC[C@H](C1)NCCS b3a49845cbd7b7a05a28cac41565fd11 [0,1,0,1,0,0|2,0,0]=4 18672 B13R1.568 O=C(O)[C@@H]1CCC[C@H](C1)OCCF 6eeb5c4f1764520b7eee68fe381cc9f2 [0,1,0,1,0,0|2,0,0]=4 18673 B13R1.568 O=C(O)[C@@H]1CCC[C@H](C1)OCCS aa5c0f68947f88ddb362f720d328d3b1 [0,1,0,1,0,0|2,0,0]=4 18674 B13R1.568 O=C(O)[C@H]1CCCN(C1)CCCF 2751209f6ae348ae53e7268237e1f5c0 [0,1,0,1,0,0|2,0,0]=4 18675 B13R1.568 O=C(O)[C@H]1CCCN(C1)CCCO 50dd796c275d62b8ddfb7b3ab5401865 [0,1,0,1,0,0|2,0,0]=4 18676 B13R1.568 O=C(O)[C@H]1CCCN(C1)CCCS 25b318598d2650cf052180a7d24c1c3a [0,1,0,1,0,0|2,0,0]=4 18677 B13R1.568 O=C(O)[C@H]1CCC[C@@H](C1)NCCF b33ac30442268a3df3cad4912d69e61c [0,1,0,1,0,0|2,0,0]=4 18678 B13R1.568 O=C(O)[C@H]1CCC[C@@H](C1)NCCO 4cacf52b054186345452b168f55c1fb5 [0,1,0,1,0,0|2,0,0]=4 18679 B13R1.568 O=C(O)[C@H]1CCC[C@@H](C1)NCCS 54720d7fd0055f5078b826bc2dcdf249 [0,1,0,1,0,0|2,0,0]=4 18680 B13R1.568 O=C(O)[C@H]1CCC[C@@H](C1)OCCF 0ff8f8992d905100060bf0a4a3cb4362 [0,1,0,1,0,0|2,0,0]=4 18681 B13R1.568 O=C(O)[C@H]1CCC[C@@H](C1)OCCS d2d3a6a05b0a6b02d68eff7b4d6ac474 [0,1,0,1,0,0|2,0,0]=4 18682 B13R1.568 O=C(O)[C@H]1CCC[C@H](C1)NCCF 8fe8f3848ce6cc804bec3b140b278609 [0,1,0,1,0,0|2,0,0]=4 18683 B13R1.568 O=C(O)[C@H]1CCC[C@H](C1)NCCO 03838934b04054c45033eb69c41581e3 [0,1,0,1,0,0|2,0,0]=4 18684 B13R1.568 O=C(O)[C@H]1CCC[C@H](C1)NCCS 26e27c2c2a2ac0b1cc64ada621a758e1 [0,1,0,1,0,0|2,0,0]=4 18685 B13R1.568 O=C(O)[C@H]1CCC[C@H](C1)OCCF f9e1e45dd406b43a4667b487830dc930 [0,1,0,1,0,0|2,0,0]=4 18686 B13R1.568 O=C(O)[C@H]1CCC[C@H](C1)OCCS 1e55c64f0860bad2b32873b0fd28da7a [0,1,0,1,0,0|2,0,0]=4 18687 B13R1.637 CCC1CN(C1)CCCCC(=O)C f59516f14ac7d12eb345142fa9f7ae52 [0,1,0,1,0,0|2,0,0]=4 18688 B13R1.637 CCC1CN(C1)CCCCC(=O)N 00520c72e1e81a36db222dc3ce5b39fe [0,1,0,1,0,0|2,0,0]=4 18689 B13R1.637 CCC1CN(C1)CCCCC(=O)O 1a9724138a0c12db17d6d4404f0e2f7e [0,1,0,1,0,0|1,0,0]=3 18690 B13R1.637 CCC1CN(C1)CCOCC(=O)O 9afb411207c7696ff9e2f9e1ac6e4184 [0,1,0,1,0,0|2,0,0]=4 18691 B13R1.637 CCN1CC(C1)CNCCC(=O)O 8f986744929480a60014defac4d4137d [0,1,0,1,0,0|2,0,0]=4 18692 B13R1.637 CCN1CC(C1)COCCC(=O)O d6fd064abb7a832a2fdc6772884accd7 [0,1,0,1,0,0|2,0,0]=4 18693 B13R1.637 CCN1CC(C1)NCCCC(=O)O b6676da0dc18ec51431c3c2d673cee36 [0,1,0,1,0,0|2,0,0]=4 18694 B13R1.637 CCN1CC(C1)OCCCC(=O)O 3336cb30193ca1342941aad98b622548 [0,1,0,1,0,0|2,0,0]=4 18695 B13R1.637 COC1CC(C1)CNCCC(=O)O e9c9e22b5957902ccfd53437e288a645 [0,1,0,1,0,0|2,0,0]=4 18696 B13R1.637 COC1CC(C1)COCCC(=O)O f7b63823e99c4a5c9a1da38139bc6478 [0,1,0,1,0,0|2,0,0]=4 18697 B13R1.637 COC1CC(C1)NCCCC(=O)O b9e04dc0b50a500ceb02d3ce6777fe4b [0,1,0,1,0,0|2,0,0]=4 18698 B13R1.637 COC1CC(C1)OCCCC(=O)O caea6729aab6a527e1cd32be25e3b948 [0,1,0,1,0,0|2,0,0]=4 18699 B13R1.637 COC1CN(C1)CCCCC(=O)O 9a03725300ff95c866b15d852d648456 [0,1,0,1,0,0|2,0,0]=4 18700 B13R1.637 CO[C@H]1C[C@@H](C1)COCCC(=O)O 3198857336579e9f67573989d5acfca0 [0,1,0,1,0,0|2,0,0]=4 18701 B13R1.637 CO[C@H]1C[C@@H](C1)NCCCC(=O)O ecb6c8a65fbe73ee972ee36f04e7cbfd [0,1,0,1,0,0|2,0,0]=4 18702 B13R1.637 CO[C@H]1C[C@@H](C1)OCCCC(=O)O f8f487368436a936dd87a57c84026df9 [0,1,0,1,0,0|2,0,0]=4 18703 B13R1.637 CO[C@H]1C[C@H](C1)COCCC(=O)O 0bc7a567fdc7a68fb19485a47bd66d2c [0,1,0,1,0,0|2,0,0]=4 18704 B13R1.637 CO[C@H]1C[C@H](C1)NCCCC(=O)O d0dcf0d9f0dfdfe05ce4798270cf0f72 [0,1,0,1,0,0|2,0,0]=4 18705 B13R1.637 CO[C@H]1C[C@H](C1)OCCCC(=O)O ed5ef022157162f271d4e99a85b63937 [0,1,0,1,0,0|2,0,0]=4 18706 B13R1.637 CSC1CN(C1)CCCCC(=O)O 5917346b2a7cd0dab747d6de4f3af629 [0,1,0,1,0,0|2,0,0]=4 18707 B13R1.637 O=C(O)CCCCN1CC(C1)CF 24615583085f6e16c707f78075cddcff [0,1,0,1,0,0|2,0,0]=4 18708 B13R1.637 O=C(O)CCCCN1CC(C1)CO 0e648d166cee7c71f04105fbe44fd0df [0,1,0,1,0,0|2,0,0]=4 18709 B13R1.637 O=C(O)CCCNC1CC(C1)CO 3e5bc479d22c6122def743f6b8a66146 [0,1,0,1,0,0|2,0,0]=4 18710 B13R1.637 O=C(O)CCCN[C@H]1C[C@@H](C1)CO 76375a60f21a126d40f01f685accceb2 [0,1,0,1,0,0|2,0,0]=4 18711 B13R1.637 O=C(O)CCCN[C@H]1C[C@H](C1)CO ead4b79f0a704c1cf358db8f8a15c55b [0,1,0,1,0,0|2,0,0]=4 18712 B13R1.637 O=C(O)CCCO[C@H]1C[C@H](C1)CF 99cb4172659564e2d02eb0388d2f5368 [0,1,0,1,0,0|2,0,0]=4 18713 B13R1.637 O=C(O)CCNCC1CC(C1)CO 1f1d2bf0800b721ea6110aa90d08ce68 [0,1,0,1,0,0|2,0,0]=4 18714 B13R1.678 CC(CCCO)NCC1CC(=O)O1 d11529c7aebaba354cbbc750666cb8ff [0,1,0,1,0,0|2,0,0]=4 18715 B13R1.678 CCCCC(C)NCC1CC(=O)C1 5431a1e029de271f0b9c9bef5f660bf7 [0,1,0,1,0,0|2,0,0]=4 18716 B13R1.678 CCCCC(C)NCC1CC(=O)N1 2a2ed5532ddad074f5fecd950bdb0d89 [0,1,0,1,0,0|2,0,0]=4 18717 B13R1.678 CCCCC(C)NCC1CC(=O)O1 e5a48092c0bf6e14652f1ac8dc4412d6 [0,1,0,1,0,0|1,0,0]=3 18718 B13R1.678 CCCCC(C)OCC1CC(=O)C1 5426bc6f219b8821a19e08515d4645c3 [0,1,0,1,0,0|2,0,0]=4 18719 B13R1.678 CCCCC(C)OCC1CC(=O)N1 0c7155f77158f900705c6ce8d2f08174 [0,1,0,1,0,0|2,0,0]=4 18720 B13R1.678 CCCCC(C)OC[C@@H]1CC(=O)N1 00341b6607a5718a89dedab3d6323c76 [0,1,0,1,0,0|2,0,0]=4 18721 B13R1.678 CCCCC(C)OC[C@H]1CC(=O)N1 fd69e35ae1a0ada0b53f8ea36b614c72 [0,1,0,1,0,0|2,0,0]=4 18722 B13R1.678 CCCC[C@@H](C)NCC1CC(=O)C1 2fa2710cbaee925b9be1198c37feaa3f [0,1,0,1,0,0|2,0,0]=4 18723 B13R1.678 CCCC[C@@H](C)NCC1CC(=O)N1 5b830537d6b7930f4a2f229a00c190c7 [0,1,0,1,0,0|2,0,0]=4 18724 B13R1.678 CCCC[C@@H](C)NCC1CC(=O)O1 359f9743aa2630fa3505e50a05388ef6 [0,1,0,1,0,0|1,0,0]=3 18725 B13R1.678 CCCC[C@@H](C)OCC1CC(=O)C1 faefab5dbdb66ffaf2550733b64838df [0,1,0,1,0,0|2,0,0]=4 18726 B13R1.678 CCCC[C@@H](C)OCC1CC(=O)N1 528ab30d754ebcc5436ce03bf852a7ed [0,1,0,1,0,0|2,0,0]=4 18727 B13R1.678 CCCC[C@H](C)OCC1CC(=O)C1 8366c3d1e4074e2f4eab6ba278ee21e2 [0,1,0,1,0,0|2,0,0]=4 18728 B13R1.678 CCCC[C@H](C)OCC1CC(=O)N1 e891ff76c2eb75c3767d546a2854b663 [0,1,0,1,0,0|2,0,0]=4 18729 B13R1.678 COCCC(C)OCC1CC(=O)O1 0a6c12a63e6e52927a64bb80fc9a9485 [0,1,0,1,0,0|2,0,0]=4 18730 B13R1.678 CSCCC(C)OCC1CC(=O)O1 0c959d456787415658c1a88c17b09512 [0,1,0,1,0,0|2,0,0]=4 18731 B13R1.678 C[C@H](CCCO)NCC1CC(=O)O1 625b3ad003ed1d7af3d668bcb7c0b8e8 [0,1,0,1,0,0|2,0,0]=4 18732 B13R1.893 CC(=O)CCN1CC(CCC1C)O e53ac8b6d35ae4b9da109282c68601a3 [0,1,0,1,0,0|2,0,0]=4 18733 B13R1.893 CC(=O)CCN1C[C@@H](CC[C@H]1C)O f56123f46c63411ee5eedafcc97839e8 [0,1,0,1,0,0|2,0,0]=4 18734 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 83432fcfcfcf71829fab3f8f66b53cdf [0,1,0,1,0,0|2,0,0]=4 18735 B13R1.893 CC1CCC(C(C1)OCC(=O)O)C 3090d25fc0778a5236d82fd11b1922bf [0,1,0,1,0,0|1,0,0]=3 18736 B13R1.893 CC1CCC(CN1CCC(=O)N)O 9cfaa0acaeec35cb969dbb21423951eb [0,1,0,1,0,0|2,0,0]=4 18737 B13R1.893 CC1CCC(CN1CCC(=O)O)O 22e60b9280ff31c4c6646cb7290ac8d6 [0,1,0,1,0,0|1,0,0]=3 18738 B13R1.893 C[C@@H]1CC[C@H](CN1CCC(=O)N)O 70f82908b8724bddcccf173db578460b [0,1,0,1,0,0|2,0,0]=4 18739 B13R1.893 C[C@@H]1CC[C@H](CN1CCC(=O)O)O 53f68face3ef239e50bb660cdb4a50d6 [0,1,0,1,0,0|1,0,0]=3 18740 B13R1.1042 CC(=O)CCCCN(C)C1CCC1 b57f7c6d584240e62682f092788dc1c1 [0,1,0,1,0,0|2,0,0]=4 18741 B13R1.1042 CC(=O)CCCOC(C)C1CCC1 92a34b7884d44c73df31c8d1a53aa5a0 [0,1,0,1,0,0|2,0,0]=4 18742 B13R1.1042 CC(=O)CCCO[C@@H](C)C1CCC1 677d7c3d74ed090579096120add0da31 [0,1,0,1,0,0|2,0,0]=4 18743 B13R1.1042 CC(COCCC(=O)O)C1CCO1 a387090bdd054687e912f9793a626221 [0,1,0,1,0,0|2,0,0]=4 18744 B13R1.1042 CC(COCCC(=O)O)N1CCC1 615456f60e79dd6f68e6de20d8809bd1 [0,1,0,1,0,0|2,0,0]=4 18745 B13R1.1042 CC(NCCCC(=O)O)C1COC1 9c32a90fcaea8fc040339532384eb0a0 [0,1,0,1,0,0|2,0,0]=4 18746 B13R1.1042 CC(OCCCC(=O)N)C1CCC1 6ba9b634d9254a15036eb1db6c1a1b81 [0,1,0,1,0,0|2,0,0]=4 18747 B13R1.1042 CN(CCCCC(=O)N)C1CCC1 1b9ce655c9345228f659ca8075e32d82 [0,1,0,1,0,0|2,0,0]=4 18748 B13R1.1042 C[C@@H](COCCC(=O)O)N1CCC1 4be1f52d74f777b59ae2035111f2f145 [0,1,0,1,0,0|2,0,0]=4 18749 B13R1.1042 C[C@@H](NCCCC(=O)O)C1COC1 3b0ab562abc3dc1fae1f4c4761e7e23b [0,1,0,1,0,0|2,0,0]=4 18750 B13R1.1042 C[C@H](NCCCC(=O)O)C1COC1 19008d8a05ea06dd0b0406e5af057197 [0,1,0,1,0,0|2,0,0]=4 18751 B13R1.1042 C[C@H](OCCCC(=O)N)C1CCC1 a69461edf6ae705f5f04c1c54c303916 [0,1,0,1,0,0|2,0,0]=4 18752 B13R1.1042 O=C(O)CCNCC(=O)C1CCC1 e6d2ca3c42999f58d703448c71f285ff [0,1,0,1,0,0|1,0,1]=4 18753 B13R1.1042 O=C(O)CCOCC(=O)C1CCC1 138652bc5c5b205fc982f95d2a2f8e6e [0,1,0,1,0,0|1,0,1]=4 18754 B13R1.1044 CC(=O)CCCCN(C)CC1CC1 11e60b2e5b568bf268e98005a54e4187 [0,1,0,1,0,0|2,0,0]=4 18755 B13R1.1044 CC(=O)CCCOC(C)CC1CC1 efefba10a38e391376b8d2b70b33a333 [0,1,0,1,0,0|2,0,0]=4 18756 B13R1.1044 CC(CC1CC1)OCCCC(=O)N 23b78ab6d4c7f51a56118a400b19140e [0,1,0,1,0,0|2,0,0]=4 18757 B13R1.1044 CN(CCCCC(=O)N)CC1CC1 c9514efdd5b7a574e3a1fbbee8870e2c [0,1,0,1,0,0|2,0,0]=4 18758 B13R1.1044 CN(CCCCC(=O)O)CC1CC1 204792287932fac9bb362299fcccf5a1 [0,1,0,1,0,0|1,0,0]=3 18759 B13R1.1044 CN(CCOCC(=O)O)CC1CC1 854a92e03721cc722a14c74d053702f5 [0,1,0,1,0,0|2,0,0]=4 18760 B13R1.1932 CCCN[C@@]1(CCC[C@@H]1C(=O)O)C 215f71a74c290c021f7572776a2e3bed [0,1,0,1,0,0|1,0,0]=3 18761 B13R1.1932 COCN[C@@]1(CCC[C@@H]1C(=O)O)C a2621bd08d30aa7226dbd0561d9b9aeb [0,1,0,1,0,0|2,0,0]=4 18762 B13R1.1932 CSCN[C@@]1(CCC[C@@H]1C(=O)O)C 8f08d828f9a4032284ef150374302c72 [0,1,0,1,0,0|2,0,0]=4 18763 B13R1.1932 C[C@]1(CCC[C@@H]1C(=O)O)NCCF 659d2539c37270456ad3a10e0d1b1fa5 [0,1,0,1,0,0|2,0,0]=4 18764 B13R1.1932 C[C@]1(CCC[C@@H]1C(=O)O)NCCO 67acc84da235ecee9dca3e288bcbbb2f [0,1,0,1,0,0|2,0,0]=4 18765 B13R1.1932 C[C@]1(CCC[C@@H]1C(=O)O)NCCS 60c29546ded390507a03a1bab7f83b6e [0,1,0,1,0,0|2,0,0]=4 18766 B13R1.2068 O=C(O)CCN1CC(CC1CO)O 2dc5d4d46df4b01eaea859e076c82572 [0,1,0,1,0,0|2,0,0]=4 18767 B13R1.2510 CC(CCCO)N1CCC1C(=O)O d69b15098206637cd0ea8a34c14ab1b3 [0,1,0,1,0,0|2,0,0]=4 18768 B13R1.2510 CC(CCCO)N1CC[C@@H]1C(=O)O 63196ae4f14d0d6c60a9690189a75fbd [0,1,0,1,0,0|2,0,0]=4 18769 B13R1.2510 CC(CCCO)N1CC[C@H]1C(=O)O ce38c62df5e422622c32197b30c97461 [0,1,0,1,0,0|2,0,0]=4 18770 B13R1.2510 CCCCC(C)N1CCC1C(=O)N 28e3bdcc3609fc864d56b519cca19ed5 [0,1,0,1,0,0|2,0,0]=4 18771 B13R1.2510 CCCCC(C)N1CCC1C(=O)O d8c1cbe99aa4d6fda77e6596b185be74 [0,1,0,1,0,0|1,0,0]=3 18772 B13R1.2510 CCCCC(C)N1CC[C@@H]1C(=O)N 448233cd8bb5fb1d905ef375c7fc917b [0,1,0,1,0,0|2,0,0]=4 18773 B13R1.2510 CCCCC(C)N1CC[C@@H]1C(=O)O e67fcbfc3b5be455d59a907a2d5d3a70 [0,1,0,1,0,0|1,0,0]=3 18774 B13R1.2510 CCCCC(C)N1CC[C@H]1C(=O)N 53ee8c90df2a99d3572db10b1037ae19 [0,1,0,1,0,0|2,0,0]=4 18775 B13R1.2510 CCCCC(C)N1CC[C@H]1C(=O)O 4653b82b1f03d7181f6b1d6b2461b8bc [0,1,0,1,0,0|1,0,0]=3 18776 B13R1.2544 CC(CCCO)N[C@@H]1C[C@@H]1C(=O)O 1c5abe842965fd66936520f6b3359be0 [0,1,0,1,0,0|2,0,0]=4 18777 B13R1.2544 CC(CCCO)N[C@H]1C[C@@H]1C(=O)O ebfc8c83b575986de9c570bb479989fe [0,1,0,1,0,0|2,0,0]=4 18778 B13R1.2544 CC(CCCO)N[C@H]1C[C@H]1C(=O)O aa0f8ba854933b67aaa3cda22cc1dea2 [0,1,0,1,0,0|2,0,0]=4 18779 B13R1.2544 CCCCC(C)N[C@@H]1C[C@@H]1C(=O)O 8e2737eee691e6f7bb1c2a333d264e97 [0,1,0,1,0,0|1,0,0]=3 18780 B13R1.2544 CCCCC(C)N[C@H]1C[C@@H]1C(=O)O 7bef7d1231cc5acf2851d9bd78e74816 [0,1,0,1,0,0|1,0,0]=3 18781 B13R1.2544 CCCCC(C)N[C@H]1C[C@H]1C(=O)O c22804d1e34797d7eee26e8243dc5491 [0,1,0,1,0,0|1,0,0]=3 18782 B13R1.2544 CCCCC(C)O[C@@H]1C[C@@H]1C(=O)O 362c5d80182430d430725bcb878f0d54 [0,1,0,1,0,0|1,0,0]=3 18783 B13R1.2544 CCCCC(C)O[C@H]1C[C@@H]1C(=O)O c5040a7ddcee6eb095bf8261924bd168 [0,1,0,1,0,0|1,0,0]=3 18784 B13R1.2544 CCCCC(C)O[C@H]1C[C@H]1C(=O)O 03cef970b228d11a3096ff995cb67636 [0,1,0,1,0,0|1,0,0]=3 18785 B13R1.2544 CCCCN(C)CC1CC1C(=O)O 6978bdda5a9b9f0ee99602dcac1a8c67 [0,1,0,1,0,0|1,0,0]=3 18786 B13R1.2544 CCCCN(C)C[C@@H]1C[C@H]1C(=O)O bb9b09d51d3fd40ccacd5afb4b38a4e8 [0,1,0,1,0,0|1,0,0]=3 18787 B13R1.2544 CCCC[C@@H](C)N[C@@H]1C[C@@H]1C(=O)O 3fbc85fea50ba59ab6190d193f1eee3f [0,1,0,1,0,0|1,0,0]=3 18788 B13R1.2544 CCCC[C@@H](C)N[C@H]1C[C@@H]1C(=O)O bdbc0b5f1f4d7a60b000db9e9824813b [0,1,0,1,0,0|1,0,0]=3 18789 B13R1.2544 CCCC[C@@H](C)N[C@H]1C[C@H]1C(=O)O cb5779daf51466b01b6de31c96b83957 [0,1,0,1,0,0|1,0,0]=3 18790 B13R1.2544 CCCC[C@@H](C)O[C@@H]1C[C@@H]1C(=O)O 408e023ad54877f120d38a308112ceef [0,1,0,1,0,0|1,0,0]=3 18791 B13R1.2544 CCCC[C@@H](C)O[C@H]1C[C@@H]1C(=O)O 24b5305c2e581cb66012dafdb1e64117 [0,1,0,1,0,0|1,0,0]=3 18792 B13R1.2544 CCCC[C@@H](C)O[C@H]1C[C@H]1C(=O)O 7a2d0d978ec7e21c2943ca21651b4c71 [0,1,0,1,0,0|1,0,0]=3 18793 B13R1.2544 CCCC[C@H](C)O[C@@H]1C[C@@H]1C(=O)O 081ebb0801cfceea8ecd6fd5a9d8c0ff [0,1,0,1,0,0|1,0,0]=3 18794 B13R1.2544 CCCC[C@H](C)O[C@H]1C[C@@H]1C(=O)O f501569456877a0463bbcb2336347d00 [0,1,0,1,0,0|1,0,0]=3 18795 B13R1.2544 CCCC[C@H](C)O[C@H]1C[C@H]1C(=O)O e5047f34e05d3a06b2cc9b2d930430fb [0,1,0,1,0,0|1,0,0]=3 18796 B13R1.2544 CCOCC(C)O[C@@H]1C[C@@H]1C(=O)O 5608fe076ceb610c8d9cf36e310ae515 [0,1,0,1,0,0|2,0,0]=4 18797 B13R1.2544 CCOCC(C)O[C@H]1C[C@@H]1C(=O)O 099d3e5252bba15cf528a960af63307d [0,1,0,1,0,0|2,0,0]=4 18798 B13R1.2544 CCOCC(C)O[C@H]1C[C@H]1C(=O)O ada6aa73b28cc093d9982c7c593da696 [0,1,0,1,0,0|2,0,0]=4 18799 B13R1.2544 CN(CCCO)CC1CC1C(=O)O 0c7ec48464b0dcf28037ae99697d6e6d [0,1,0,1,0,0|2,0,0]=4 18800 B13R1.2544 CN(CCCO)C[C@@H]1C[C@H]1C(=O)O 8a28b63e50843cafc12d65927483c524 [0,1,0,1,0,0|2,0,0]=4 18801 B13R1.2544 COCCC(C)O[C@@H]1C[C@@H]1C(=O)O e90702a98096f71c5ae548d20f483230 [0,1,0,1,0,0|2,0,0]=4 18802 B13R1.2544 COCCC(C)O[C@H]1C[C@@H]1C(=O)O 542caa905687acd739ecb089e13da426 [0,1,0,1,0,0|2,0,0]=4 18803 B13R1.2544 COCCC(C)O[C@H]1C[C@H]1C(=O)O 443c3d510793b1ad1032f9024bc1a58d [0,1,0,1,0,0|2,0,0]=4 18804 B13R1.2544 COCCN(C)CC1CC1C(=O)O 1bf3da72505ca8e2c123a054dd29ac81 [0,1,0,1,0,0|2,0,0]=4 18805 B13R1.2544 COCCN(C)C[C@@H]1C[C@H]1C(=O)O 6e8ed0171e56652cc33cd65dc6919d0f [0,1,0,1,0,0|2,0,0]=4 18806 B13R1.2544 CSCCC(C)O[C@@H]1C[C@@H]1C(=O)O 05e007831fdbf5c1315d828ec0b630cc [0,1,0,1,0,0|2,0,0]=4 18807 B13R1.2544 CSCCC(C)O[C@H]1C[C@@H]1C(=O)O 63e9eb607cb97c45538c1a0c2e6e5441 [0,1,0,1,0,0|2,0,0]=4 18808 B13R1.2544 CSCCC(C)O[C@H]1C[C@H]1C(=O)O ae554199ccad737ea4d0020011bcf0e2 [0,1,0,1,0,0|2,0,0]=4 18809 B13R1.2544 CSCCN(C)CC1CC1C(=O)O 5ac705d1c9cfe9cc73fa7cd4bd9b5f7f [0,1,0,1,0,0|2,0,0]=4 18810 B13R1.2544 CSCCN(C)C[C@@H]1C[C@H]1C(=O)O ab8abc7c4dee05adc91af759a68a7ace [0,1,0,1,0,0|2,0,0]=4 18811 B13R1.2544 C[C@H](CCCO)N[C@@H]1C[C@@H]1C(=O)O 64fcd48cf19514f813cf789669fb0441 [0,1,0,1,0,0|2,0,0]=4 18812 B13R1.2544 C[C@H](CCCO)N[C@H]1C[C@@H]1C(=O)O d9908da87610c625477c1f2016ac4b3e [0,1,0,1,0,0|2,0,0]=4 18813 B13R1.2544 C[C@H](CCCO)N[C@H]1C[C@H]1C(=O)O 099d69dc9ad10f88f2045b87c9380773 [0,1,0,1,0,0|2,0,0]=4 18814 B13R1.3501 CC(=O)CCN1CCCCC(C1)O 31d33922907d70dbc4a0fbfbd15cf500 [0,1,0,1,0,0|2,0,0]=4 18815 B13R1.3501 CC(=O)CCN1CCCC[C@H](C1)O 414803ceb91961f06570d6e1f6e3257e [0,1,0,1,0,0|2,0,0]=4 18816 B13R1.3501 CC(C)OCC1CCCCC(=O)N1 59ab4affc27156ab8cec14c2530f56dd [0,1,0,1,0,0|2,0,0]=4 18817 B13R1.3501 CC1CN(CCCO1)CCC(=O)O 77073d136e205cc4f59677cb7389fc0e [0,1,0,1,0,0|2,0,0]=4 18818 B13R1.3501 CN1CCCCC(C1)NCC(=O)O adaca9e844b7af16655de869d7946988 [0,1,0,1,0,0|2,0,0]=4 18819 B13R1.3501 CN1CCCC[C@@H](C1)NCC(=O)O 08ceea893f9937c083504408e5d03699 [0,1,0,1,0,0|2,0,0]=4 18820 B13R1.3501 CN1CCCC[C@H](C1)NCC(=O)O 8c3cffd3fd642acdaad667386d3fd86e [0,1,0,1,0,0|2,0,0]=4 18821 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 92cb3f8986bac470e7052c5f6343d9c9 [0,1,0,1,0,0|2,0,0]=4 18822 B13R1.3501 NC(=O)CCN1CCCC[C@H](C1)O 51a12db8155080f172112fba46ad6070 [0,1,0,1,0,0|2,0,0]=4 18823 B13R1.3501 O=C(O)CCN1CCCCC(C1)O e96221d9f05007ea76e02312a55a17b8 [0,1,0,1,0,0|1,0,0]=3 18824 B13R1.3501 O=C(O)CCN1CCCC[C@H](C1)O 4dfa32d0545d7b664e03652e3093b6cc [0,1,0,1,0,0|1,0,0]=3 18825 B13R1.3501 O=C(O)CCN1CCOCC(C1)F b6efd875d0f688dc54d61f881daf55b8 [0,1,0,1,0,0|2,0,0]=4 18826 B13R1.3501 O=C(O)CCN1CCOCC(C1)O cee251182c863bef493dbd3b707a81a0 [0,1,0,1,0,0|2,0,0]=4 18827 B13R1.3501 O=C(O)CCN1CCOC[C@@H](C1)F 7496b3713273de561b3fdc6da4fd14da [0,1,0,1,0,0|2,0,0]=4 18828 B13R1.3501 O=C(O)CCN1CCOC[C@@H](C1)O d50586d3cf7ce242f8e8c377e61a5a4b [0,1,0,1,0,0|2,0,0]=4 18829 B13R1.3501 O=C(O)CCN1CCOC[C@H](C1)F 02db521602f62fdb1482ea85087e187f [0,1,0,1,0,0|2,0,0]=4 18830 B13R1.3501 O=C(O)CCN1CCOC[C@H](C1)O e5c37eae9e2ca00a083b3bedaa3c5dcc [0,1,0,1,0,0|2,0,0]=4 18831 B13R1.3529 CC(=O)CCCN1C(CCC1C)C a8b01f23c7b0b2c0e12f188c5aad51b9 [0,1,0,1,0,0|2,0,0]=4 18832 B13R1.3529 CC(=O)CCCN1[C@@H](CC[C@@H]1C)C 8a163a196ef7d295614c68f852a09e05 [0,1,0,1,0,0|2,0,0]=4 18833 B13R1.3529 CC(=O)CCCN1[C@@H](CC[C@H]1C)C 5b683fefe89368fef00354102f064de5 [0,1,0,1,0,0|2,0,0]=4 18834 B13R1.3529 CC(=O)CCCN1[C@H](CC[C@@H]1C)C 5aa1b7e8ffc4cb251a525158fcd352e5 [0,1,0,1,0,0|2,0,0]=4 18835 B13R1.3529 CC1CCC(N1CCCC(=O)N)C 6cecea4a72a535588893fbc53f6e9f9a [0,1,0,1,0,0|2,0,0]=4 18836 B13R1.3529 C[C@@H]1CC[C@@H](N1CCCC(=O)N)C 59d8dba8ecb2f4dee3b714be16c1cdc8 [0,1,0,1,0,0|2,0,0]=4 18837 B13R1.3529 C[C@@H]1CC[C@H](N1CCCC(=O)N)C 01a74415476a8e52aea2b0c78ef40593 [0,1,0,1,0,0|2,0,0]=4 18838 B13R1.3529 C[C@H]1CC[C@@H](N1CCCC(=O)N)C 0c0ef19ceb30d7dbb7292aba3f17c90b [0,1,0,1,0,0|2,0,0]=4 18839 B13R1.4012 CC1CCCC(N1CCF)C(=O)O 1298d5fafe11cb1c149ffd3cc7147f64 [0,1,0,1,0,0|2,0,0]=4 18840 B13R1.4012 CC1CCCC(N1CCO)C(=O)O ddb7de17d4a8cb3318c3baada413ce27 [0,1,0,1,0,0|2,0,0]=4 18841 B13R1.4012 CC1CCCC(N1CCS)C(=O)O 2d0d46791e293c342f5a3e99c13fe007 [0,1,0,1,0,0|2,0,0]=4 18842 B13R1.4012 CCCN1C(CCCC1C(=O)O)C f2f2c8caea8d55fa33e085efd4c119e4 [0,1,0,1,0,0|1,0,0]=3 18843 B13R1.4012 COCN1C(CCCC1C(=O)O)C 11e7530ef01e6678502c3878b10b4842 [0,1,0,1,0,0|2,0,0]=4 18844 B13R1.4012 CSCN1C(CCCC1C(=O)O)C 2955814afb40608e197ba44fe3b8a0b1 [0,1,0,1,0,0|2,0,0]=4 18845 B13R1.7746 CC(=O)CCCNC1(CCCC1)C da43a36cde603a175fff0b569d089500 [0,1,0,1,0,0|2,0,0]=4 18846 B13R1.7746 CC(=O)CCNCC1(CCCC1)C d29485ce99e2751594061b42d869232f [0,1,0,1,0,0|2,0,0]=4 18847 B13R1.7746 CC(=O)CCNCC1(CCCC1)F 63eee9582bd3bf8724c3cdabec8abef5 [0,1,0,1,0,0|2,0,0]=4 18848 B13R1.7746 CC(=O)CCNCC1(CCCC1)O cfc17609c3eb654c932f53a0a9ee1a65 [0,1,0,1,0,0|2,0,0]=4 18849 B13R1.7746 CC(=O)CCOCC1(CCCC1)C 9489534fde7f2a3e33aa7d9c9b7f1e37 [0,1,0,1,0,0|2,0,0]=4 18850 B13R1.7746 CC(=O)CCOCC1(CCCC1)F dbaf656c3662a838cc3ee12ac1813760 [0,1,0,1,0,0|2,0,0]=4 18851 B13R1.7746 CC1(CCCC1)CNCCC(=O)N 744e650d57142809f513fe176d8210a1 [0,1,0,1,0,0|2,0,0]=4 18852 B13R1.7746 CC1(CCCC1)CNCCC(=O)O 3d1f2b195c8b12c18d06ccfa71023bee [0,1,0,1,0,0|1,0,0]=3 18853 B13R1.7746 CC1(CCCC1)CNCCS(=O)O becb22b6cecdaca40227a11ed41fcf28 [0,1,0,1,0,0|2,0,0]=4 18854 B13R1.7746 CC1(CCCC1)COCCC(=O)N 22e024bafd5e1a5d1a9ec5c32ef30a9c [0,1,0,1,0,0|2,0,0]=4 18855 B13R1.7746 CC1(CCCC1)COCCC(=O)O 1825f89a35ef6069f31186577fe94b33 [0,1,0,1,0,0|1,0,0]=3 18856 B13R1.7746 CC1(CCCC1)NCCCC(=O)N f71452eacc94164477f3b89a96436f89 [0,1,0,1,0,0|2,0,0]=4 18857 B13R1.7746 CC1(CCCC1)NCCCC(=O)O 216eb0b6f99d7f2a6627532d8881a638 [0,1,0,1,0,0|1,0,0]=3 18858 B13R1.7746 CC1(CCCO1)CNCCC(=O)O 0fd3fbe9d924afd909eb2bbd0cd6f489 [0,1,0,1,0,0|2,0,0]=4 18859 B13R1.7746 CC1(CCCO1)COCCC(=O)O e7c179eab5f790aeb1c880d5adff8278 [0,1,0,1,0,0|2,0,0]=4 18860 B13R1.7746 CC1(CCOC1)CNCCC(=O)O b30110209d6d465ae2d649d4914fe48e [0,1,0,1,0,0|2,0,0]=4 18861 B13R1.7746 CC1(CCOC1)COCCC(=O)O b593ff71ff099dc02c5204cbd857c3b9 [0,1,0,1,0,0|2,0,0]=4 18862 B13R1.7746 C[C@@]1(CCOC1)COCCC(=O)O a84bebfa41be24d5f6592758b30e78ad [0,1,0,1,0,0|2,0,0]=4 18863 B13R1.7746 C[C@]1(CCOC1)COCCC(=O)O ef2a78752f58517722a3815d11eeb125 [0,1,0,1,0,0|2,0,0]=4 18864 B13R1.7746 NC(=O)CCNCC1(CCCC1)F ea7bbdcedcdd94fa09cd4938034a8ed4 [0,1,0,1,0,0|2,0,0]=4 18865 B13R1.7746 NC(=O)CCNCC1(CCCC1)O 637bf3cc8b104769c5c2ecb55450d5f5 [0,1,0,1,0,0|2,0,0]=4 18866 B13R1.7746 NC(=O)CCOCC1(CCCC1)F bd787fcf5cc2d376c1e452fbe8dbdc72 [0,1,0,1,0,0|2,0,0]=4 18867 B13R1.7746 NC(=O)CNCCC1(CCCC1)O e3880ff6f370c113a18092cfdf51d9bc [0,1,0,1,0,0|2,0,0]=4 18868 B13R1.7746 O=C(O)CCNCC1(CCCC1)F 835f5bab7680c11fe4b6908c929a7bb6 [0,1,0,1,0,0|1,0,0]=3 18869 B13R1.7746 O=C(O)CCNCC1(CCCC1)O a765e1aa0ec306c2e08ce0fe41b4f96e [0,1,0,1,0,0|1,0,0]=3 18870 B13R1.7746 O=C(O)CCNCC1(CCOC1)O 41de87fd8df1685572d585fba87fdd6e [0,1,0,1,0,0|2,0,0]=4 18871 B13R1.7746 O=C(O)CCOCC1(CCCC1)F af6872ad4026ead21c0eade45617864e [0,1,0,1,0,0|1,0,0]=3 18872 B13R1.7746 O=C(O)CNCCC1(CCCC1)O 0d9bed3beec832334246037e7a0b3355 [0,1,0,1,0,0|1,0,0]=3 18873 B13R1.7746 O=S(O)CCNCC1(CCCC1)F 507351f1d55e12b2fd6b5900f4a93b78 [0,1,0,1,0,0|2,0,0]=4 18874 B13R1.100 CCC1CCCN1CCS(=O)(=O)O 012508dad0f46ac60e08be6301783f6a [0,1,0,1,0,0|2,0,0]=4 18875 B13R1.100 CC[C@@H]1CCCN1CCS(=O)(=O)O a6c87961bac3133a30860f558cfac21a [0,1,0,1,0,0|2,0,0]=4 18876 B13R1.100 CC[C@@H]1CCC[C@H]1NCS(=O)(=O)O 76dfd9ef500f13b87439bf5180ed1b6e [0,1,0,1,0,0|2,0,0]=4 18877 B13R1.157 CC1CCCCC1NCS(=O)(=O)O 0aa6625f80cb0bc1470a0349d68f7f23 [0,1,0,1,0,0|2,0,0]=4 18878 B13R1.157 CC1CCCCC1OCS(=O)(=O)O eae67efbe60e6c4379af1f42bbb87b40 [0,1,0,1,0,0|2,0,0]=4 18879 B13R1.157 CC1CCCCN1CCS(=O)(=O)O 3adfaf06102069ff0dd63d0de02f4615 [0,1,0,1,0,0|2,0,0]=4 18880 B13R1.157 C[C@@H]1CCCCN1CCS(=O)(=O)O ec9d29dbc2eaf904b62cb0c21af397cc [0,1,0,1,0,0|2,0,0]=4 18881 B13R1.157 C[C@@H]1CCCC[C@@H]1NCS(=O)(=O)O c27248672feda9f4e2b25f584a7ad88f [0,1,0,1,0,0|2,0,0]=4 18882 B13R1.157 C[C@@H]1CCCC[C@@H]1OCS(=O)(=O)O 23ea73a8e73d995597501a56a9b57afd [0,1,0,1,0,0|2,0,0]=4 18883 B13R1.157 C[C@@H]1CCCC[C@H]1NCS(=O)(=O)O 01e06021a58d18482af5eddc2098aaf5 [0,1,0,1,0,0|2,0,0]=4 18884 B13R1.157 C[C@H]1CCCCN1CCS(=O)(=O)O fc11122eb2d2fac29b7fcc11edbfd792 [0,1,0,1,0,0|2,0,0]=4 18885 B13R1.157 C[C@H]1CCCC[C@@H]1NCS(=O)(=O)O 8b3e501eecb0a8b3cdd7e99eccbd39ef [0,1,0,1,0,0|2,0,0]=4 18886 B13R1.157 C[C@H]1CCCC[C@@H]1OCS(=O)(=O)O 6ce928a41615828e75464975cc28d54a [0,1,0,1,0,0|2,0,0]=4 18887 B13R1.157 C[C@H]1CCCC[C@H]1NCS(=O)(=O)O 9b8202837f576bfb902c015c3f93b467 [0,1,0,1,0,0|2,0,0]=4 18888 B13R1.157 C[C@H]1CCCC[C@H]1OCS(=O)(=O)O 392b2cc3f1444914555ea7855d244519 [0,1,0,1,0,0|2,0,0]=4 18889 B13R1.195 CC1CCCC1OCCS(=O)(=O)O ec2a23142e0431e568afd98c976dabf2 [0,1,0,1,0,0|2,0,0]=4 18890 B13R1.195 CC1CCCN1CCCS(=O)(=O)O 71666e677c3af0688377c6c19129458b [0,1,0,1,0,0|2,0,0]=4 18891 B13R1.195 C[C@@H]1CCCN1CCCS(=O)(=O)O 4ab2ae470453e4de9483c6def95800f8 [0,1,0,1,0,0|2,0,0]=4 18892 B13R1.195 C[C@@H]1CCC[C@@H]1OCCS(=O)(=O)O 7576dbab969ca1fce34297cd15ebf54a [0,1,0,1,0,0|2,0,0]=4 18893 B13R1.195 C[C@@H]1CCC[C@H]1OCCS(=O)(=O)O 0355ab73a61cd4a77add5b1194e6239b [0,1,0,1,0,0|2,0,0]=4 18894 B13R1.195 C[C@H]1CCCN1CCCS(=O)(=O)O 082270a9047cfe7cf3d8224334b1eaf0 [0,1,0,1,0,0|2,0,0]=4 18895 B13R1.195 C[C@H]1CCC[C@@H]1OCCS(=O)(=O)O 90176faf73949d35e5ed630b34ed5a71 [0,1,0,1,0,0|2,0,0]=4 18896 B13R1.195 C[C@H]1CCC[C@H]1OCCS(=O)(=O)O be3a7061a7ebb016deebb767e67efe7b [0,1,0,1,0,0|2,0,0]=4 18897 B13R1.204 C[C@@H]1CC[C@@H]1NCCCS(=O)(=O)O c7612f8982194bbee30bb1f298f75da2 [0,1,0,1,0,0|2,0,0]=4 18898 B13R1.204 C[C@@H]1CC[C@H]1NCCCS(=O)(=O)O 425a8369a05dcb7b7ebcd483666e8728 [0,1,0,1,0,0|2,0,0]=4 18899 B13R1.281 CC1CCCCCN1CS(=O)(=O)O 7de1d48d6cb75c74cf5e05b4b15ff214 [0,1,0,1,0,0|2,0,0]=4 18900 B13R1.286 CC1CC1COCCCS(=O)(=O)O 3083948f2cb83b48f69b12d42b4b4e0a [0,1,0,1,0,0|2,0,0]=4 18901 B13R1.286 CC1CC1NCCCCS(=O)(=O)O f41efca1d457edbea030007e1670e00b [0,1,0,1,0,0|2,0,0]=4 18902 B13R1.286 C[C@@H]1C[C@H]1COCCCS(=O)(=O)O feccfdfeeaa37aa73694a3ef10658678 [0,1,0,1,0,0|2,0,0]=4 18903 B13R1.286 C[C@H]1C[C@@H]1COCCCS(=O)(=O)O 5cc8ab6f5fc98e065bb72b9beafdcaaf [0,1,0,1,0,0|2,0,0]=4 18904 B13R1.286 C[C@H]1C[C@H]1COCCCS(=O)(=O)O 3ae7704b19f4caeae78ee6527718c856 [0,1,0,1,0,0|2,0,0]=4 18905 B13R1.605 CCC1CCN1CCCS(=O)(=O)O a2fece997b3e274bdcef6b165b74e385 [0,1,0,1,0,0|2,0,0]=4 18906 B13R1.622 CCC1CCCCN1CS(=O)(=O)O ddaa8f6b6dbd4338d81852fa9ab8ced9 [0,1,0,1,0,0|2,0,0]=4 18907 B13R1.622 CC[C@@H]1CCCCN1CS(=O)(=O)O 4dfa1caf51c55aec43e6979f92fde1e8 [0,1,0,1,0,0|2,0,0]=4 18908 B13R1.622 CC[C@H]1CCCCN1CS(=O)(=O)O 72efbc45b7b41d9c0a7444661e8a614b [0,1,0,1,0,0|2,0,0]=4 18909 B13R1.2904 O=S(=O)(O)CCCNC1CCCC1 6991303f8b0f36e3a26902fe332b5bab [0,1,0,1,0,0|2,0,0]=4 18910 B13R1.2904 O=S(=O)(O)CCCOC1CCCC1 73a52f9f4c40a9e57197c06257763d16 [0,1,0,1,0,0|2,0,0]=4 18911 B13R1.2904 O=S(=O)(O)CCNCC1CCCC1 836b7367f0488b9baa03ae9181e94fd5 [0,1,0,1,0,0|2,0,0]=4 18912 B13R1.2904 O=S(=O)(O)CCOCC1CCCC1 4770707365e7b3333bc8d639cbe0714f [0,1,0,1,0,0|2,0,0]=4 18913 B13R1.2904 O=S(=O)(O)CNCCC1CCCC1 2fd02fa9869dce9bb38ba58fb5ad365a [0,1,0,1,0,0|2,0,0]=4 18914 B13R1.2905 O=S(=O)(O)CCCCNC1CCC1 9d079df5fda3eae1fde1aa97f90f5d58 [0,1,0,1,0,0|2,0,0]=4 18915 B13R1.2905 O=S(=O)(O)CCCCOC1CCC1 1fe9044de8ae292851d2517f488d9cf4 [0,1,0,1,0,0|2,0,0]=4 18916 B13R1.2905 O=S(=O)(O)CCCNCC1CCC1 e6326255052e9a50993bbcd56f969a14 [0,1,0,1,0,0|2,0,0]=4 18917 B13R1.2905 O=S(=O)(O)CCCOCC1CCC1 4e99c0da5cc857fcb4c25f0d517ef419 [0,1,0,1,0,0|2,0,0]=4 18918 B13R1.2905 O=S(=O)(O)CCNCCC1CCC1 e3cf26b566f6f015cdeb6f37da959fe8 [0,1,0,1,0,0|2,0,0]=4 18919 B13R1.2905 O=S(=O)(O)CCOCCC1CCC1 a2ebe30c4e28184ea13504dbaea52669 [0,1,0,1,0,0|2,0,0]=4 18920 B13R1.3523 O=S(=O)(O)CCNC1CCCCC1 c4ee9873119a89b3edce9e2dfcacb424 [0,1,0,1,0,0|2,0,0]=4 18921 B13R1.3523 O=S(=O)(O)CCOC1CCCCC1 ae983c5851c35ac9b99d98f6a02433fe [0,1,0,1,0,0|2,0,0]=4 18922 B13R1.3523 O=S(=O)(O)CNCC1CCCCC1 b0d893f669e16dd7b0e864190b16b6a9 [0,1,0,1,0,0|2,0,0]=4 18923 B13R1.3523 O=S(=O)(O)COCC1CCCCC1 6cb1c620cc0780662002813ab7ffdec3 [0,1,0,1,0,0|2,0,0]=4 18924 B13R1.6268 O=S(=O)(O)CCN1CCCCCC1 e9368f4080122dcaef4e89425b2bf5c4 [0,1,0,1,0,0|2,0,0]=4 18925 B13R1.6268 O=S(=O)(O)CNC1CCCCCC1 8574823291272838320b30587bf019e3 [0,1,0,1,0,0|2,0,0]=4 18926 B13R1.6268 O=S(=O)(O)COC1CCCCCC1 6145be48f54cac4c4d37e0bf035f6f67 [0,1,0,1,0,0|2,0,0]=4 18927 B13R1.6271 O=S(=O)(O)CCCCCNC1CC1 25c2e6fd1e9e2ad58cc89aa561aba12f [0,1,0,1,0,0|2,0,0]=4 18928 B13R1.6271 O=S(=O)(O)CCCCNCC1CC1 6a7ddc76ab0795cde8879b09d886f15c [0,1,0,1,0,0|2,0,0]=4 18929 B13R1.6271 O=S(=O)(O)CCCCOCC1CC1 e8aefc26c2dfd40fad39e83da640d83d [0,1,0,1,0,0|2,0,0]=4 18930 B13R1.6271 O=S(=O)(O)CCCNCCC1CC1 c23e4b518cd2da4645f7c8e5d2be7856 [0,1,0,1,0,0|2,0,0]=4 18931 B13R1.6271 O=S(=O)(O)CCCOCCC1CC1 9c82a47c2312b15e9f8cf80ac26a87c1 [0,1,0,1,0,0|2,0,0]=4 18932 B13R1.6271 O=S(=O)(O)CCOCCCC1CC1 3f3042dedf7a0ea0b13d4b7ca0097067 [0,1,0,1,0,0|2,0,0]=4 18933 B13R1.6279 O=S(=O)(O)CN1CCCCCCC1 2b7b517799406c93710bed62bc74cca5 [0,1,0,1,0,0|2,0,0]=4 18934 B13R1.15 CCC(C)CCN1CCCC(=O)C1 06a09f335ed37ee017e537e72cc8327d [0,1,0,1,0,0|2,0,0]=4 18935 B13R1.15 CCC(C)CNC1CCCC(=O)C1 76990617c18f3fe057cbba999a83f3ff [0,1,0,1,0,0|2,0,0]=4 18936 B13R1.15 CCC(C)COC1CCCC(=O)C1 e45df3da251203f1fa29e52546989f05 [0,1,0,1,0,0|2,0,0]=4 18937 B13R1.15 CCC(C)NCC1CCCC(=O)N1 00458e062d645c1e91df6745e5a5ef39 [0,1,0,1,0,0|2,0,0]=4 18938 B13R1.15 CCC(C)OCC1CCCC(=O)C1 93cdceee1f0b73e53d4a5aa578b5c9aa [0,1,0,1,0,0|2,0,0]=4 18939 B13R1.15 CCC(C)OCC1CCCC(=O)N1 1c6e8ea26efc95da9611e4cb0402c736 [0,1,0,1,0,0|2,0,0]=4 18940 B13R1.15 CCC(C)OC[C@@H]1CCCC(=O)N1 6d184003988dcc60f346634968c71e26 [0,1,0,1,0,0|2,0,0]=4 18941 B13R1.15 CCC(C)OC[C@H]1CCCC(=O)N1 34960d7d55e48078f8b01549a4281cab [0,1,0,1,0,0|2,0,0]=4 18942 B13R1.15 CCC(O)CNC1CCCC(=O)C1 7d06e5b5d4a1b05ff838f97c02e03292 [0,1,0,1,0,0|2,0,0]=4 18943 B13R1.15 CC[C@@H](C)COC1CCCC(=O)C1 b13ad11a9f5f34230f79bc75a531850d [0,1,0,1,0,0|2,0,0]=4 18944 B13R1.15 CC[C@@H](O)CNC1CCCC(=O)C1 2500cc150239a2daea32ddb99344e48d [0,1,0,1,0,0|2,0,0]=4 18945 B13R1.15 CC[C@H](C)CNC1CCCC(=O)C1 d49bcd966cefe317e41fd330018f76dc [0,1,0,1,0,0|2,0,0]=4 18946 B13R1.15 CC[C@H](C)COC1CCCC(=O)C1 54be93d18ee5c88b58b560215877ff0b [0,1,0,1,0,0|2,0,0]=4 18947 B13R1.60 CCC1CCN(C1)CCCC(=O)C d96876c1d3e582df6b45460b4745a940 [0,1,0,1,0,0|2,0,0]=4 18948 B13R1.60 CCC1CCN(C1)CCCC(=O)N 1e62ff16f6c48cdbbfe48387c26bca0e [0,1,0,1,0,0|2,0,0]=4 18949 B13R1.60 CCC1CCN(C1)CCCC(=O)O 98347c0a69c665ba93deb7e6f4bf6c48 [0,1,0,1,0,0|1,0,0]=3 18950 B13R1.60 CCN1CCC(C1)CNCC(=O)O 15cc2728f741dc3593f7096bb2408e81 [0,1,0,1,0,0|2,0,0]=4 18951 B13R1.60 CCN1CCC(C1)COCC(=O)O 25427378d76e276b8e031ce82de91033 [0,1,0,1,0,0|2,0,0]=4 18952 B13R1.60 CCN1CCC(C1)NCCC(=O)O 8d686d71c8f8338cd606cb7086dade66 [0,1,0,1,0,0|2,0,0]=4 18953 B13R1.60 CCN1CCC(C1)OCCC(=O)O b28904275967063443d13b365c4bd308 [0,1,0,1,0,0|2,0,0]=4 18954 B13R1.60 CCN1CC[C@@H](C1)COCC(=O)O e0d5eb324c5eed85d55a5041162ede05 [0,1,0,1,0,0|2,0,0]=4 18955 B13R1.60 CCN1CC[C@H](C1)CNCC(=O)O fdc8fae47a5bb6e8448dafa2dafc4a5e [0,1,0,1,0,0|2,0,0]=4 18956 B13R1.60 CCN1CC[C@H](C1)COCC(=O)O f2bbeabcdbf96cc3d4e833f841bc94fc [0,1,0,1,0,0|2,0,0]=4 18957 B13R1.60 COC1CCC(C1)NCCC(=O)O 4236e9c1c6c1752cfdd0ac540c14842a [0,1,0,1,0,0|2,0,0]=4 18958 B13R1.60 COC1CCC(C1)OCCC(=O)O 55e7c082b12db1bda7f591c089e7f2aa [0,1,0,1,0,0|2,0,0]=4 18959 B13R1.60 COC1CCN(C1)CCCC(=O)O 7f35e2c142003755ff8be2596f9d606c [0,1,0,1,0,0|2,0,0]=4 18960 B13R1.60 CO[C@@H]1CCN(C1)CCCC(=O)O 8ac4da377ff7eeee7bcbd9538bb064c1 [0,1,0,1,0,0|2,0,0]=4 18961 B13R1.60 CO[C@@H]1CC[C@@H](C1)OCCC(=O)O 70bcd6c384da649ee58247edb4ae8273 [0,1,0,1,0,0|2,0,0]=4 18962 B13R1.60 CO[C@@H]1CC[C@H](C1)OCCC(=O)O 9e0877f32aba9b25f7cd8dae52929905 [0,1,0,1,0,0|2,0,0]=4 18963 B13R1.60 CO[C@H]1CCN(C1)CCCC(=O)O 392ffcc9db3efb6bd311204787b0e923 [0,1,0,1,0,0|2,0,0]=4 18964 B13R1.60 CO[C@H]1CC[C@H](C1)NCCC(=O)O e56c108de38d3370e6d1624e73115d1b [0,1,0,1,0,0|2,0,0]=4 18965 B13R1.60 O=C(O)CCCN1CCC(C1)CO 944992018b1982e773b188f16be752ac [0,1,0,1,0,0|2,0,0]=4 18966 B13R1.60 O=C(O)CCCN1CC[C@@H](C1)CO 1ecfc1f7ce6877624e0d9e352d577e73 [0,1,0,1,0,0|2,0,0]=4 18967 B13R1.60 O=C(O)CCCN1CC[C@H](C1)CO 6974160b29a8a860a7fcfdf726132284 [0,1,0,1,0,0|2,0,0]=4 18968 B13R1.60 O=C(O)CCNC1CCC(C1)CO 3b99dd276f7da43d15701c041e58fcdb [0,1,0,1,0,0|2,0,0]=4 18969 B13R1.60 O=C(O)CCN[C@@H]1CC[C@@H](C1)CO b8bb1e443b77165315905bdc2ea53549 [0,1,0,1,0,0|2,0,0]=4 18970 B13R1.60 O=C(O)CCN[C@@H]1CC[C@H](C1)CO 9e9cb42288945ef5e0f5bf7cca8e0813 [0,1,0,1,0,0|2,0,0]=4 18971 B13R1.60 O=C(O)CCN[C@H]1CC[C@@H](C1)CO ec666303dfbdf93a5355cd94020cc077 [0,1,0,1,0,0|2,0,0]=4 18972 B13R1.60 O=C(O)CCN[C@H]1CC[C@H](C1)CO 0580a019124c87cb0baa1a0a80a427d3 [0,1,0,1,0,0|2,0,0]=4 18973 B13R1.150 CC(=O)CCN1CCCC(C1C)O 494411ff193d93ff31c0fbf16ab2baa8 [0,1,0,1,0,0|2,0,0]=4 18974 B13R1.150 CC(=O)CCN1CCC[C@@H]([C@H]1C)O 27d3233f4418d5fbdb9dce892534d43b [0,1,0,1,0,0|2,0,0]=4 18975 B13R1.150 CC(=O)CCN1CCC[C@H]([C@@H]1C)O a8cfb58e7a685c237102d86001d96bff [0,1,0,1,0,0|2,0,0]=4 18976 B13R1.150 CC1C(CCCN1CCC(=O)N)O cf52808a18710b38f6d79ab30315096c [0,1,0,1,0,0|2,0,0]=4 18977 B13R1.150 CC1C(CCCN1CCC(=O)O)O a0f6d8eb5396973c743973274f15fc19 [0,1,0,1,0,0|1,0,0]=3 18978 B13R1.150 CC1CCCC(C1C)NCC(=O)N 6f86a25f48adc186ad54f8ca17c22ae4 [0,1,0,1,0,0|2,0,0]=4 18979 B13R1.150 CC1CCCC(C1C)NCC(=O)O 6660263c201ab8f9649cad01c6b28b8a [0,1,0,1,0,0|1,0,0]=3 18980 B13R1.150 CC1CCCC(C1C)OCC(=O)N e428ab3a79cf5f81164db6385776bad8 [0,1,0,1,0,0|2,0,0]=4 18981 B13R1.150 CC1CCCC(C1C)OCC(=O)O 9b4f0855c498ae276f200a7ade134324 [0,1,0,1,0,0|1,0,0]=3 18982 B13R1.150 CC1OCCN(C1C)CCC(=O)O a2c8c2967351c034c2037a070b310422 [0,1,0,1,0,0|2,0,0]=4 18983 B13R1.150 C[C@@H]1[C@H](CCCN1CCC(=O)N)O a7bf3a5a6475cfb8f3e627093851a5ed [0,1,0,1,0,0|2,0,0]=4 18984 B13R1.150 C[C@@H]1[C@H](CCCN1CCC(=O)O)O 81c5e3bf8ed00f7c13c12fbccccc05b9 [0,1,0,1,0,0|1,0,0]=3 18985 B13R1.150 C[C@H]1[C@@H](CCCN1CCC(=O)N)O 0a640ec2f7fd7774af109b834295f6fd [0,1,0,1,0,0|2,0,0]=4 18986 B13R1.150 C[C@H]1[C@@H](CCCN1CCC(=O)O)O a7c1aca9e097a2291fac6de4af576a14 [0,1,0,1,0,0|1,0,0]=3 18987 B13R1.198 C=C1CC1COCCCCC(=O)O acfa971e29148ddb4a560d45973911c3 [0,1,0,1,0,0|0,0,2]=4 18988 B13R1.198 CC(=O)CCCCCNC1CC1C 0294d3898eab50c0ab1f7094b67116e2 [0,1,0,1,0,0|1,0,0]=3 18989 B13R1.198 CC(=O)CCCCCN[C@@H]1C[C@H]1F 87c5e56f122af445cdf405046cdf98c8 [0,1,0,1,0,0|2,0,0]=4 18990 B13R1.198 CC(=O)CCCCCN[C@H]1C[C@@H]1F 63cf1e95b62068a7e64e8822b759293b [0,1,0,1,0,0|2,0,0]=4 18991 B13R1.198 CC(=O)CCCCCN[C@H]1C[C@H]1F 290658a9c41239505edda787b1306151 [0,1,0,1,0,0|2,0,0]=4 18992 B13R1.198 CC(=O)CCCCOCC1CC1C 8bcd59a335c2dc7838a86cfc85b1c8d9 [0,1,0,1,0,0|1,0,0]=3 18993 B13R1.198 CC(=O)CCCCOC[C@@H]1C[C@@H]1C c15eb5a91639856e58555dba642629b2 [0,1,0,1,0,0|1,0,0]=3 18994 B13R1.198 CC(=O)CCCCOC[C@@H]1C[C@@H]1F dac6a73dc1444c12dab4ab62dc7af93d [0,1,0,1,0,0|2,0,0]=4 18995 B13R1.198 CC(=O)CCCCOC[C@@H]1C[C@H]1C e6eeeb13ca8e0e797e20a734a8ed492b [0,1,0,1,0,0|1,0,0]=3 18996 B13R1.198 CC(=O)CCCCOC[C@@H]1C[C@H]1F 554d1f8d6116e53854b7006fedcd3461 [0,1,0,1,0,0|2,0,0]=4 18997 B13R1.198 CC(=O)CCCCOC[C@H]1C[C@@H]1C b44df4b5c9356fc80bfed717b2c756bc [0,1,0,1,0,0|1,0,0]=3 18998 B13R1.198 CC(=O)CCCCOC[C@H]1C[C@@H]1F 8767adc94fa8913f57a067b2d8090916 [0,1,0,1,0,0|2,0,0]=4 18999 B13R1.198 CC(=O)CCCCOC[C@H]1C[C@H]1F 7bc200a1ff024dd0a7d9adf3b53a1097 [0,1,0,1,0,0|2,0,0]=4 19000 B13R1.198 CC(=O)NCCCOCC1CC1C 9be1ec7ff68441265430999757ae20f0 [0,1,0,1,0,0|2,0,0]=4 19001 B13R1.198 CC(=O)NCCCOC[C@@H]1C[C@@H]1C fce0613651e156aca43ec598861161da [0,1,0,1,0,0|2,0,0]=4 19002 B13R1.198 CC(=O)NCCCOC[C@@H]1C[C@H]1C 65de130102b11f0ad69710bcac8eea99 [0,1,0,1,0,0|2,0,0]=4 19003 B13R1.198 CC(=O)NCCCOC[C@H]1C[C@@H]1C 3910fd5d14f618a7ba8873eab30df2bb [0,1,0,1,0,0|2,0,0]=4 19004 B13R1.198 CC(=O)OCCCCNC1CC1C 657e038efb2a03b7a0d741cb641f445b [0,1,0,1,0,0|2,0,0]=4 19005 B13R1.198 CC(=O)OCCCOCC1CC1C 104b11c17390c5df867aa5de8af52196 [0,1,0,1,0,0|2,0,0]=4 19006 B13R1.198 CC(=O)OCCCOC[C@@H]1C[C@@H]1C 8557642e7117dbd6af90c2f57dcc8359 [0,1,0,1,0,0|2,0,0]=4 19007 B13R1.198 CC(=O)OCCCOC[C@@H]1C[C@H]1C 269f7a4b3e943f93e48987d50eca3d9b [0,1,0,1,0,0|2,0,0]=4 19008 B13R1.198 CC(=O)OCCCOC[C@H]1C[C@@H]1C 76d8472494316875efa4d83378c76b36 [0,1,0,1,0,0|2,0,0]=4 19009 B13R1.198 CC(=O)SCCCCNC1CC1C 4b7520c214434a7339cf3229b463545f [0,1,0,1,0,0|2,0,0]=4 19010 B13R1.198 CC(=O)SCCCOCC1CC1C f07047baf898ba19456e5a6cd280711e [0,1,0,1,0,0|2,0,0]=4 19011 B13R1.198 CC(=O)SCCCOC[C@@H]1C[C@@H]1C 5ae7e6f6ecec085afce306cf517f4346 [0,1,0,1,0,0|2,0,0]=4 19012 B13R1.198 CC(=O)SCCCOC[C@@H]1C[C@H]1C e43a6896ad5fe1b67a5cd40c5c52a0df [0,1,0,1,0,0|2,0,0]=4 19013 B13R1.198 CC(=O)SCCCOC[C@H]1C[C@@H]1C 675b3415ac266b604378feeb81e31f7c [0,1,0,1,0,0|2,0,0]=4 19014 B13R1.198 CC1CC1COCCCCC(=O)N 0a034c88efcfa38420d03536b3dcdd0d [0,1,0,1,0,0|1,0,0]=3 19015 B13R1.198 CC1CC1COCCCCC(=O)O 82025db2fdf03cce4d6c7488f51ace4d [0,1,0,1,0,0|0,0,0]=2 19016 B13R1.198 CC1CC1COCCOCC(=O)N 85b893c54f71193cb417028c57d3cd78 [0,1,0,1,0,0|2,0,0]=4 19017 B13R1.198 CC1CC1COCCOCC(=O)O 45d5d7ff95a933bc9a71adcb45eab084 [0,1,0,1,0,0|1,0,0]=3 19018 B13R1.198 CC1CC1NCCCCCC(=O)N 5955bb646274ca9bed87bbe4e326cad5 [0,1,0,1,0,0|1,0,0]=3 19019 B13R1.198 CC1CC1NCCCCCC(=O)O a9fdf29bedcc401bde731fad563d057d [0,1,0,1,0,0|0,0,0]=2 19020 B13R1.198 CC1CC1NCCCOCC(=O)O 8cf70d667c1ee227e0c8c1f952cffa2a [0,1,0,1,0,0|1,0,0]=3 19021 B13R1.198 CC1CC1NCCOCCC(=O)O 415e100b22b87c976858b38f889d013b [0,1,0,1,0,0|1,0,0]=3 19022 B13R1.198 C[C@@H]1C[C@H]1COCCCCC(=O)N 8bba66e312cb917409e56dbb05ff5a3b [0,1,0,1,0,0|1,0,0]=3 19023 B13R1.198 C[C@@H]1C[C@H]1COCCCCC(=O)O 6fc3f08065a56ed699c253dfa653beed [0,1,0,1,0,0|0,0,0]=2 19024 B13R1.198 C[C@@H]1C[C@H]1COCCOCC(=O)N 7273192885b74c6f39926e370c70ce07 [0,1,0,1,0,0|2,0,0]=4 19025 B13R1.198 C[C@@H]1C[C@H]1COCCOCC(=O)O 696f80567eab38bac224fab4cfdef20d [0,1,0,1,0,0|1,0,0]=3 19026 B13R1.198 C[C@H]1C[C@@H]1COCCCCC(=O)N 98bb0e55ee375fd2f374aa1133086cab [0,1,0,1,0,0|1,0,0]=3 19027 B13R1.198 C[C@H]1C[C@@H]1COCCCCC(=O)O ae7c4f29b6068fe5386ad5040f091a18 [0,1,0,1,0,0|0,0,0]=2 19028 B13R1.198 C[C@H]1C[C@@H]1COCCOCC(=O)N 929d4bc6d3fc4329587658fe179a8cf7 [0,1,0,1,0,0|2,0,0]=4 19029 B13R1.198 C[C@H]1C[C@@H]1COCCOCC(=O)O b7eb99a7d4faeb299bbd78f51973e4e6 [0,1,0,1,0,0|1,0,0]=3 19030 B13R1.198 C[C@H]1C[C@H]1COCCCCC(=O)N 1b27e5feff52e418a15b09cbe3061218 [0,1,0,1,0,0|1,0,0]=3 19031 B13R1.198 C[C@H]1C[C@H]1COCCCCC(=O)O 74b26c82add38a59e96127b321bd16a6 [0,1,0,1,0,0|0,0,0]=2 19032 B13R1.198 C[C@H]1C[C@H]1COCCOCC(=O)N 703db9f25aa26ef75a555ec71b691445 [0,1,0,1,0,0|2,0,0]=4 19033 B13R1.198 C[C@H]1C[C@H]1COCCOCC(=O)O e39f0d2bd87bd067e54f5c1ee93b2977 [0,1,0,1,0,0|1,0,0]=3 19034 B13R1.198 NC(=O)CCCCCN[C@@H]1C[C@H]1F f9d6f39278c72db79e487dab74944f5e [0,1,0,1,0,0|2,0,0]=4 19035 B13R1.198 NC(=O)CCCCCN[C@H]1C[C@@H]1F 99773d84f1b984e7b25ae2bd6f1c8bbc [0,1,0,1,0,0|2,0,0]=4 19036 B13R1.198 NC(=O)CCCCCN[C@H]1C[C@H]1F 0cc440fb5e5c744fc98bfd92b0ad75aa [0,1,0,1,0,0|2,0,0]=4 19037 B13R1.198 NC(=O)CCCCOC[C@@H]1C[C@@H]1F de05eec4310ee4f11aa321e0c3db925a [0,1,0,1,0,0|2,0,0]=4 19038 B13R1.198 NC(=O)CCCCOC[C@@H]1C[C@H]1F 31f3022842e7828943370b110ae74aeb [0,1,0,1,0,0|2,0,0]=4 19039 B13R1.198 NC(=O)CCCCOC[C@H]1C[C@@H]1F 4028c4730544a5335e98bbd03de8d1dd [0,1,0,1,0,0|2,0,0]=4 19040 B13R1.198 NC(=O)CCCCOC[C@H]1C[C@H]1F 9cc8acf9498a21cd08ac91e74b589eeb [0,1,0,1,0,0|2,0,0]=4 19041 B13R1.198 O=C(O)CCCCCN[C@@H]1C[C@H]1F 90d42030e4534c38877d58178cde1a1f [0,1,0,1,0,0|1,0,0]=3 19042 B13R1.198 O=C(O)CCCCCN[C@H]1C[C@@H]1F 029580a20a73403613b71fc38ceb8016 [0,1,0,1,0,0|1,0,0]=3 19043 B13R1.198 O=C(O)CCCCCN[C@H]1C[C@H]1F 30479ffca5371f53bbaa92c4f484c1a5 [0,1,0,1,0,0|1,0,0]=3 19044 B13R1.198 O=C(O)CCCCOC[C@@H]1C[C@@H]1F e83831eed030ff23ccbd3a0e8b9cacb0 [0,1,0,1,0,0|1,0,0]=3 19045 B13R1.198 O=C(O)CCCCOC[C@@H]1C[C@H]1F 08db806bddefbec4832285c4ba6ef9b0 [0,1,0,1,0,0|1,0,0]=3 19046 B13R1.198 O=C(O)CCCCOC[C@H]1C[C@@H]1F d53a02fc51ad80aa13f5366e8928ca99 [0,1,0,1,0,0|1,0,0]=3 19047 B13R1.198 O=C(O)CCCCOC[C@H]1C[C@H]1F 6ec12df3048e453aabf852aac3dda7a2 [0,1,0,1,0,0|1,0,0]=3 19048 B13R1.198 O=C(O)CCOCCN[C@@H]1C[C@H]1F 4ab71fb9bba446b47a250950b5c51f21 [0,1,0,1,0,0|2,0,0]=4 19049 B13R1.198 O=C(O)CCOCCN[C@H]1C[C@@H]1F 95e0e3ab45847dfa12035f0f16822c6c [0,1,0,1,0,0|2,0,0]=4 19050 B13R1.198 O=C(O)CCOCCN[C@H]1C[C@H]1F e4055ce094a65f6d7641a253d59cc64f [0,1,0,1,0,0|2,0,0]=4 19051 B13R1.198 O=C(O)COCCCN[C@@H]1C[C@H]1F 724324913bf399d9d29521fe1340ad5a [0,1,0,1,0,0|2,0,0]=4 19052 B13R1.198 O=C(O)COCCCN[C@H]1C[C@@H]1F 07a6a8faf5d5b36d476d58a041a24800 [0,1,0,1,0,0|2,0,0]=4 19053 B13R1.198 O=C(O)COCCCN[C@H]1C[C@H]1F d6b03c7363f7e517d71b6613895144e6 [0,1,0,1,0,0|2,0,0]=4 19054 B13R1.198 O=C(O)COCCOC[C@@H]1C[C@@H]1F bbfb06e1ffa372849e0459711a07b355 [0,1,0,1,0,0|2,0,0]=4 19055 B13R1.198 O=C(O)COCCOC[C@@H]1C[C@H]1F 7a1c418077f05778503d1618e17d626a [0,1,0,1,0,0|2,0,0]=4 19056 B13R1.198 O=C(O)COCCOC[C@H]1C[C@@H]1F 1e1af7e7e0befd6a91f186a5e2cb17ad [0,1,0,1,0,0|2,0,0]=4 19057 B13R1.198 O=C(O)COCCOC[C@H]1C[C@H]1F 54a97c17f351440b6ed5ef853857f018 [0,1,0,1,0,0|2,0,0]=4 19058 B13R1.297 CC(=O)CCCCNC1CCC1F 42e0c84a03afca3dd094d4bc5c1ca51e [0,1,0,1,0,0|2,0,0]=4 19059 B13R1.297 CC(=O)CCCCNC1CCC1O 0b03ec07c3a23a44bab49055d2afa22f [0,1,0,1,0,0|2,0,0]=4 19060 B13R1.297 CC(=O)CCCCNC1COC1C 9fd14185bebc85b8885ff9b625b7fb47 [0,1,0,1,0,0|2,0,0]=4 19061 B13R1.297 CC(=O)CCCCN[C@@H]1CC[C@@H]1O b6f52153b4fd91e28c01e5c5e5103c4f [0,1,0,1,0,0|2,0,0]=4 19062 B13R1.297 CC(=O)CCCCN[C@@H]1CC[C@H]1C b40be7b2b1007d36d3b7a5eb0dc4daec [0,1,0,1,0,0|1,0,0]=3 19063 B13R1.297 CC(=O)CCCCN[C@@H]1CC[C@H]1O 8740a75f9435a9bf32788327f2babde5 [0,1,0,1,0,0|2,0,0]=4 19064 B13R1.297 CC(=O)CCCCN[C@H]1CC[C@@H]1O a5ca0bea24b84bc253f7c6826ad5c657 [0,1,0,1,0,0|2,0,0]=4 19065 B13R1.297 CC(=O)CCCCN[C@H]1CC[C@H]1C 71a000e78e22b29df5401c396f78309d [0,1,0,1,0,0|1,0,0]=3 19066 B13R1.297 CC(=O)CCCCN[C@H]1CC[C@H]1O c298fe3665e115686664644b61beeffb [0,1,0,1,0,0|2,0,0]=4 19067 B13R1.297 CC(=O)CCCCOC1COC1C 41e7254de1a9cb654b0636895fe83f48 [0,1,0,1,0,0|2,0,0]=4 19068 B13R1.297 CC(=O)CCCNCC1CCN1C 0269a5fa7bc505d1b877970b89c48155 [0,1,0,1,0,0|2,0,0]=4 19069 B13R1.297 CC(=O)CCCOCC1CCC1F ce154a04422a91786116e00e3d7b2f05 [0,1,0,1,0,0|2,0,0]=4 19070 B13R1.297 CC(=O)CCCOCC1CCN1C 29ee72f11c58843cfe3871d6d0dc86ae [0,1,0,1,0,0|2,0,0]=4 19071 B13R1.297 CC(=O)CCCOC[C@@H]1CCN1C b61a6f4dd05afeae59aad4156dea776f [0,1,0,1,0,0|2,0,0]=4 19072 B13R1.297 CC(=O)CCCOC[C@H]1CCN1C 38c92841438a6d0673479a71b60c3b1a [0,1,0,1,0,0|2,0,0]=4 19073 B13R1.297 CC(=O)NCCCN[C@@H]1CC[C@H]1C e7b1a8d070e5dbf103dae360686f493a [0,1,0,1,0,0|2,0,0]=4 19074 B13R1.297 CC(=O)NCCCN[C@H]1CC[C@H]1C 63883d0c2f019bce1dd63170c5be674d [0,1,0,1,0,0|2,0,0]=4 19075 B13R1.297 CC(=O)OCCCN[C@@H]1CC[C@H]1C 97e2f1748a40810c59d34bf35b397f2d [0,1,0,1,0,0|2,0,0]=4 19076 B13R1.297 CC(=O)OCCCN[C@H]1CC[C@H]1C e774bfcd3e93443e710adbc846d475b2 [0,1,0,1,0,0|2,0,0]=4 19077 B13R1.297 CC(=O)SCCCN[C@@H]1CC[C@H]1C 48e6fa3b6c7179c686dbda1237278a0f [0,1,0,1,0,0|2,0,0]=4 19078 B13R1.297 CC(=O)SCCCN[C@H]1CC[C@H]1C d296078d11388c86d7a1406c062b9a2f [0,1,0,1,0,0|2,0,0]=4 19079 B13R1.297 CC(O)CCCCN[C@@H]1CC[C@H]1C 419cc0a96babaecddb645c58982b200f [0,1,0,1,0,0|1,0,1]=4 19080 B13R1.297 CC(O)CCCCN[C@H]1CC[C@H]1C 4017bfc249ecdce7d2dada2a0b32b4cb [0,1,0,1,0,0|1,0,1]=4 19081 B13R1.297 CC1OCC1NCCCCC(=O)N 20bef0e1acdfc8b22e4e1ff64627fc62 [0,1,0,1,0,0|2,0,0]=4 19082 B13R1.297 CC1OCC1NCCCCC(=O)O 443cfbc40b1c5fec38f43b8b021a4e34 [0,1,0,1,0,0|1,0,0]=3 19083 B13R1.297 CC1OCC1NCCOCC(=O)O aade713e17b062b78c4c35f1acdaf6cd [0,1,0,1,0,0|2,0,0]=4 19084 B13R1.297 CC1OCC1OCCCCC(=O)N e38421c88958de6fd2b5a35908077cc6 [0,1,0,1,0,0|2,0,0]=4 19085 B13R1.297 CC1OCC1OCCCCC(=O)O 2a040c0083cdc404cfe166a0c3ea7f6e [0,1,0,1,0,0|1,0,0]=3 19086 B13R1.297 CC1OCC1OCCOCC(=O)O a622ebb7fe5feb31aa905c502073f0f3 [0,1,0,1,0,0|2,0,0]=4 19087 B13R1.297 CN1CCC1CNCCCC(=O)N 71844df6e3837622c60773d895b8cdca [0,1,0,1,0,0|2,0,0]=4 19088 B13R1.297 CN1CCC1CNCCCC(=O)O b6f74d833484d54248fe825c5dc10384 [0,1,0,1,0,0|1,0,0]=3 19089 B13R1.297 CN1CCC1COCCCC(=O)N 272a4518cd0a2186e2eb264c16e42986 [0,1,0,1,0,0|2,0,0]=4 19090 B13R1.297 CN1CC[C@@H]1COCCCC(=O)N 35ecdaa48d9b568f02a1d45b84c905d9 [0,1,0,1,0,0|2,0,0]=4 19091 B13R1.297 CN1CC[C@H]1COCCCC(=O)N 38ace6f56e5d141aad34724348ac0901 [0,1,0,1,0,0|2,0,0]=4 19092 B13R1.297 C[C@@H]1CC[C@@H]1NCCCCC(=O)N a80077bf53a07435887cda1c248be5da [0,1,0,1,0,0|1,0,0]=3 19093 B13R1.297 C[C@@H]1CC[C@@H]1NCCCCC(=O)O 21154fd80bbefdce333f5bd45933acc0 [0,1,0,1,0,0|0,0,0]=2 19094 B13R1.297 C[C@@H]1CC[C@@H]1NCCCC[C@@H](C)O ee9a94ce825d327f29aace07fe60d758 [0,1,0,1,0,0|1,0,1]=4 19095 B13R1.297 C[C@@H]1CC[C@@H]1NCCOCC(=O)N da8415f73b25113fdca018db677f833f [0,1,0,1,0,0|2,0,0]=4 19096 B13R1.297 C[C@@H]1CC[C@@H]1NCCOCC(=O)O 84a00fcf85ad035138b76f2abd775006 [0,1,0,1,0,0|1,0,0]=3 19097 B13R1.297 C[C@@H]1CC[C@H]1NCCCCC(=O)N 8f9b6ff4ac9eca6a57d8b40f6d05aae9 [0,1,0,1,0,0|1,0,0]=3 19098 B13R1.297 C[C@@H]1CC[C@H]1NCCCCC(=O)O 37845ef947b63f6143c6acceb288e7c2 [0,1,0,1,0,0|0,0,0]=2 19099 B13R1.297 C[C@@H]1CC[C@H]1NCCCC[C@@H](C)O c7fd4852d299205e1958f7300c691818 [0,1,0,1,0,0|1,0,1]=4 19100 B13R1.297 C[C@@H]1CC[C@H]1NCCOCC(=O)N 15c16adb8a32688507aff09f5ada81e0 [0,1,0,1,0,0|2,0,0]=4 19101 B13R1.297 C[C@@H]1CC[C@H]1NCCOCC(=O)O 6c3148dd98d37e3a281b32ae1021fcdc [0,1,0,1,0,0|1,0,0]=3 19102 B13R1.297 NC(=O)CCCCNC1CCC1F 0706464185b7c85eec7e381738d3f749 [0,1,0,1,0,0|2,0,0]=4 19103 B13R1.297 NC(=O)CCCCNC1CCC1O b0c545e7356300629e5ba6ff042c4cce [0,1,0,1,0,0|2,0,0]=4 19104 B13R1.297 NC(=O)CCCCN[C@@H]1CC[C@@H]1O 8ec2257b6b8f8c66930757259b3542fb [0,1,0,1,0,0|2,0,0]=4 19105 B13R1.297 NC(=O)CCCCN[C@@H]1CC[C@H]1O 4dc5fbb1d3f78e6a9ec3bc612884360e [0,1,0,1,0,0|2,0,0]=4 19106 B13R1.297 NC(=O)CCCCN[C@H]1CC[C@@H]1O a7b5f8ec9f108fb08bb828adbfd4c692 [0,1,0,1,0,0|2,0,0]=4 19107 B13R1.297 NC(=O)CCCCN[C@H]1CC[C@H]1O 67970a647c8dad1e8d3098c287363e6f [0,1,0,1,0,0|2,0,0]=4 19108 B13R1.297 NC(=O)CCCOCC1CCC1F d8b14e296bce28e55f4b4479d529588d [0,1,0,1,0,0|2,0,0]=4 19109 B13R1.297 O=C(O)CCCCNC1CCC1F a98c66aa651e78c634f40190c34d31ee [0,1,0,1,0,0|1,0,0]=3 19110 B13R1.297 O=C(O)CCCCNC1CCC1O 91e17ff3f8710531d0c0e70cf5a35a54 [0,1,0,1,0,0|1,0,0]=3 19111 B13R1.297 O=C(O)CCCCN[C@@H]1CC[C@@H]1O 0a346295dbd76884ee5444bdd62f4052 [0,1,0,1,0,0|1,0,0]=3 19112 B13R1.297 O=C(O)CCCCN[C@@H]1CC[C@H]1O 1b7aac4675c27511d33c94d9be97554d [0,1,0,1,0,0|1,0,0]=3 19113 B13R1.297 O=C(O)CCCCN[C@H]1CC[C@@H]1O 77c4f7d2d97ce5b865ae21e5f19a6e9a [0,1,0,1,0,0|1,0,0]=3 19114 B13R1.297 O=C(O)CCCCN[C@H]1CC[C@H]1O 21996541d725543bd08f8c167cddf26a [0,1,0,1,0,0|1,0,0]=3 19115 B13R1.297 O=C(O)CCCOCC1CCC1=O 3f6185b8b525262169a2ed378b4a1f6d [0,1,0,1,0,0|1,0,1]=4 19116 B13R1.297 O=C(O)CCCOCC1CCC1F f2527dc60d371ab0a7955aaca80603f1 [0,1,0,1,0,0|1,0,0]=3 19117 B13R1.297 O=C(O)CCNCCC1CCC1=O 7f49fa38440599815c5fce4254ae88ce [0,1,0,1,0,0|1,0,1]=4 19118 B13R1.297 O=C(O)CCOCCC1CCC1=O c720dcf8db6a97ecd45bcf1b4d3fc335 [0,1,0,1,0,0|1,0,1]=4 19119 B13R1.297 O=C(O)COCCNC1CCC1F 5810bfc93bd506a512f369170f2c85f0 [0,1,0,1,0,0|2,0,0]=4 19120 B13R1.297 O=C(O)COCCNC1CCC1O 908e455dfcdd90dec5cac906c4ba299a [0,1,0,1,0,0|2,0,0]=4 19121 B13R1.297 O=C(O)COCCN[C@@H]1CC[C@@H]1O 492163d8817431bb4963cb88e19a16dd [0,1,0,1,0,0|2,0,0]=4 19122 B13R1.297 O=C(O)COCCN[C@@H]1CC[C@H]1O 1ed574c46775b7d8c2076720dc943d13 [0,1,0,1,0,0|2,0,0]=4 19123 B13R1.297 O=C(O)COCCN[C@H]1CC[C@@H]1O 6fa37c1a8f5f5705f5fa42a4aa7aabe1 [0,1,0,1,0,0|2,0,0]=4 19124 B13R1.297 O=C(O)COCCN[C@H]1CC[C@H]1O c21e573964666df33981debe493d99a5 [0,1,0,1,0,0|2,0,0]=4 19125 B13R1.513 C=C1CCC(CC1)COCC(=O)O 283e4a9f2b2c7182f1e1b46b5b26e452 [0,1,0,1,0,0|1,0,1]=4 19126 B13R1.513 CC(=O)CCCN1CCC(CC1)C 77a40a47704a2986e96a8cc9b61fbe2b [0,1,0,1,0,0|2,0,0]=4 19127 B13R1.513 CC(=O)CCCN1CCC(CC1)Cl 1dcf13dd997dd7a509a612b7a010d240 [0,1,0,1,0,0|2,0,0]=4 19128 B13R1.513 CC(=O)CCCN1CCC(CC1)F c1c6abc2d8ca0f6d8c5ce88b15941367 [0,1,0,1,0,0|2,0,0]=4 19129 B13R1.513 CC(=O)CCCN1CCC(CC1)I 2d2605bde11a6a71fbe229016bed660c [0,1,0,1,0,0|2,0,0]=4 19130 B13R1.513 CC(=O)CCCN1CCC(CC1)O 08f787798c54efd97eef61d77cdcd531 [0,1,0,1,0,0|2,0,0]=4 19131 B13R1.513 CC(=O)CCNC1CCC(CC1)C 358ae4207c771537fec5c4fc1ce49701 [0,1,0,1,0,0|2,0,0]=4 19132 B13R1.513 CC(=O)CCNC1CCC(CC1)Cl 512abf999a99e352bcc2287ab5057f21 [0,1,0,1,0,0|2,0,0]=4 19133 B13R1.513 CC(=O)CCNC1CCC(CC1)O 6325e5c602b375a40866c3710953b56a [0,1,0,1,0,0|2,0,0]=4 19134 B13R1.513 CC(=O)CCN[C@H]1CC[C@@H](CC1)C 6582a80445bbcd3a7fbfb6816aeb09d5 [0,1,0,1,0,0|2,0,0]=4 19135 B13R1.513 CC(=O)CCN[C@H]1CC[C@@H](CC1)Cl fc3e85b2fb0fd87b3e64f12ae3e2fec2 [0,1,0,1,0,0|2,0,0]=4 19136 B13R1.513 CC(=O)CCN[C@H]1CC[C@@H](CC1)O 22a2dd006414f2d92743c0c9fd5e4054 [0,1,0,1,0,0|2,0,0]=4 19137 B13R1.513 CC(=O)CCN[C@H]1CC[C@H](CC1)C e1d95122dd39cf94b35615e3f705a028 [0,1,0,1,0,0|2,0,0]=4 19138 B13R1.513 CC(=O)CCN[C@H]1CC[C@H](CC1)Cl c80058b38b0084f6e4218397b0e6ebfa [0,1,0,1,0,0|2,0,0]=4 19139 B13R1.513 CC(=O)CCN[C@H]1CC[C@H](CC1)O fd9aa6a6c80831ed697176ce8ec9fb06 [0,1,0,1,0,0|2,0,0]=4 19140 B13R1.513 CC(=O)CCOC1CCC(CC1)C 785a87aa466be5beed2e28bcdfc308be [0,1,0,1,0,0|2,0,0]=4 19141 B13R1.513 CC(=O)CCOC1CCC(CC1)F 90728e207d6721b2b71481a546a76f6c [0,1,0,1,0,0|2,0,0]=4 19142 B13R1.513 CC(=O)CCO[C@H]1CC[C@@H](CC1)C 4f0f5104d3fdb596b8210541e2e3904a [0,1,0,1,0,0|2,0,0]=4 19143 B13R1.513 CC(=O)CCO[C@H]1CC[C@H](CC1)C 556b6d54c9237e828c85e2cbf66e25c8 [0,1,0,1,0,0|2,0,0]=4 19144 B13R1.513 CC(=O)CNCC1CCC(CC1)C 58c1bb48bae0d672f5a0d2a187c9a155 [0,1,0,1,0,0|2,0,0]=4 19145 B13R1.513 CC(=O)COCC1CCC(CC1)C bd23b79788e66f0537e1e3b279b9833b [0,1,0,1,0,0|2,0,0]=4 19146 B13R1.513 CC(=O)NCCC1CCC(CC1)O c365cc8d846b3bd008dcb8df6b1eda84 [0,1,0,1,0,0|2,0,0]=4 19147 B13R1.513 CC1CCC(CC1)CNCC(=O)N 2728b625b3ac4fa5c87b06922bf58636 [0,1,0,1,0,0|2,0,0]=4 19148 B13R1.513 CC1CCC(CC1)CNCC(=O)O e367a7b32ae02c17817e8239b226be0a [0,1,0,1,0,0|1,0,0]=3 19149 B13R1.513 CC1CCC(CC1)COCC(=O)N 577897e7f06192d8d0948c5cbb7a0a71 [0,1,0,1,0,0|2,0,0]=4 19150 B13R1.513 CC1CCC(CC1)COCC(=O)O 41101609964b5114e66e80513e5e2e99 [0,1,0,1,0,0|1,0,0]=3 19151 B13R1.513 CC1CCC(CC1)COCS(=O)O e71996fea9f1e40519da1e65c086aee9 [0,1,0,1,0,0|2,0,0]=4 19152 B13R1.513 CC1CCC(CC1)NCCC(=O)N 9503ba7e58f0360a492a13b97474333a [0,1,0,1,0,0|2,0,0]=4 19153 B13R1.513 CC1CCC(CC1)NCCC(=O)O 9606a17e57daaae94bea68d6e1b7f2b4 [0,1,0,1,0,0|1,0,0]=3 19154 B13R1.513 CC1CCC(CC1)NCCS(=O)O 795f945c0fe42a79fec7a9b5b479c89e [0,1,0,1,0,0|2,0,0]=4 19155 B13R1.513 CC1CCC(CC1)OCCC(=O)N 4c7b5efc7bfac391193a9b4a68f81176 [0,1,0,1,0,0|2,0,0]=4 19156 B13R1.513 CC1CCC(CC1)OCCC(=O)O 76b455b6fd3d0a1b3db8e9c1ed916c92 [0,1,0,1,0,0|1,0,0]=3 19157 B13R1.513 CC1CCN(CC1)CCCC(=O)N 12df363fb12ac39611027b6b4e37e55e [0,1,0,1,0,0|2,0,0]=4 19158 B13R1.513 CC1CCN(CC1)CCCC(=O)O 047a6e91ea116b97df6a037c0624746d [0,1,0,1,0,0|1,0,0]=3 19159 B13R1.513 CN1CCC(CC1)CNCC(=O)O 7648f0d9254d5657184ed16164e26426 [0,1,0,1,0,0|2,0,0]=4 19160 B13R1.513 CN1CCC(CC1)COCC(=O)O 01243bc7da96efbda2ddc8fb9261a294 [0,1,0,1,0,0|2,0,0]=4 19161 B13R1.513 CN1CCC(CC1)NCCC(=O)O 29e1477ce49dd15b4046a58f806c9ca9 [0,1,0,1,0,0|2,0,0]=4 19162 B13R1.513 CN1CCC(CC1)OCCC(=O)O 15c6ca9a3c2575fa0e3dc50e1f8e101e [0,1,0,1,0,0|2,0,0]=4 19163 B13R1.513 CN1CCN(CC1)CCCC(=O)O 3c340337a570ff770b6cf4b3fa906a21 [0,1,0,1,0,0|2,0,0]=4 19164 B13R1.513 C[C@H]1CC[C@@H](CC1)COCC(=O)N 2f189660a21343ad675bcd8e4e58c1ef [0,1,0,1,0,0|2,0,0]=4 19165 B13R1.513 C[C@H]1CC[C@@H](CC1)COCC(=O)O 591b43c3aab728effc7a3caaed24bf14 [0,1,0,1,0,0|1,0,0]=3 19166 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N ebc8558d7b34820f83bc2e138fc939ca [0,1,0,1,0,0|2,0,0]=4 19167 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)O c8acf1a5eac6e549467f816d6b36ebd5 [0,1,0,1,0,0|1,0,0]=3 19168 B13R1.513 C[C@H]1CC[C@@H](CC1)OCCC(=O)N 15c75e9da624f49b6af20eff32970398 [0,1,0,1,0,0|2,0,0]=4 19169 B13R1.513 C[C@H]1CC[C@@H](CC1)OCCC(=O)O dd8ad256e9efe03d505dc05476c4de7f [0,1,0,1,0,0|1,0,0]=3 19170 B13R1.513 C[C@H]1CC[C@H](CC1)COCC(=O)N 6cbbb16faf2f21c789b9bafe53b05684 [0,1,0,1,0,0|2,0,0]=4 19171 B13R1.513 C[C@H]1CC[C@H](CC1)COCC(=O)O 66b38169113906a01b4e793004422ac0 [0,1,0,1,0,0|1,0,0]=3 19172 B13R1.513 C[C@H]1CC[C@H](CC1)NCCC(=O)N b63c83c5d9959e4ab2ca832569fbdafa [0,1,0,1,0,0|2,0,0]=4 19173 B13R1.513 C[C@H]1CC[C@H](CC1)NCCC(=O)O e0b5f46c7b64e7da66d1fc031eb88936 [0,1,0,1,0,0|1,0,0]=3 19174 B13R1.513 C[C@H]1CC[C@H](CC1)OCCC(=O)N 01999853c620df0c08f6437e39737c7f [0,1,0,1,0,0|2,0,0]=4 19175 B13R1.513 C[C@H]1CC[C@H](CC1)OCCC(=O)O 3ce5255c9ea5b65a28aeee7855245a40 [0,1,0,1,0,0|1,0,0]=3 19176 B13R1.513 NC(=O)CCCN1CCC(CC1)Cl fe26d68d798ea4609e242def42ff2131 [0,1,0,1,0,0|2,0,0]=4 19177 B13R1.513 NC(=O)CCCN1CCC(CC1)F b9ab82607e2bdcda0b814dcb6ac94f10 [0,1,0,1,0,0|2,0,0]=4 19178 B13R1.513 NC(=O)CCCN1CCC(CC1)I 441f833b63d26b39491b869e7072e40b [0,1,0,1,0,0|2,0,0]=4 19179 B13R1.513 NC(=O)CCCN1CCC(CC1)O fdf304112e20ec68c663c6f40c223d46 [0,1,0,1,0,0|2,0,0]=4 19180 B13R1.513 NC(=O)CCNC1CCC(CC1)Cl 5a8da7da161b613d2aaba0344f015a33 [0,1,0,1,0,0|2,0,0]=4 19181 B13R1.513 NC(=O)CCNC1CCC(CC1)O ee343af9a421c9bc7d10a29724c23678 [0,1,0,1,0,0|2,0,0]=4 19182 B13R1.513 NC(=O)CCN[C@H]1CC[C@@H](CC1)Cl 4a6a648284c1494428a705e1f3701d8b [0,1,0,1,0,0|2,0,0]=4 19183 B13R1.513 NC(=O)CCN[C@H]1CC[C@@H](CC1)O cc5a07c0678d46694863c2c2447790af [0,1,0,1,0,0|2,0,0]=4 19184 B13R1.513 NC(=O)CCN[C@H]1CC[C@H](CC1)Cl 1fc0a07f43ba3656d117e83542badb1e [0,1,0,1,0,0|2,0,0]=4 19185 B13R1.513 NC(=O)CCN[C@H]1CC[C@H](CC1)O a61eb7330721f24b66019ab68c03500c [0,1,0,1,0,0|2,0,0]=4 19186 B13R1.513 NC(=O)CCOC1CCC(CC1)F 1c6d828cb6d1fd6af4b6942e4e82df7f [0,1,0,1,0,0|2,0,0]=4 19187 B13R1.513 NC(=O)CNCC1CCC(CC1)Cl 5467d1375096c12c3fa3a26345d66469 [0,1,0,1,0,0|2,0,0]=4 19188 B13R1.513 NC(=O)CNCC1CCC(CC1)O 8180640dc20b45eec3303f37920e1a7d [0,1,0,1,0,0|2,0,0]=4 19189 B13R1.513 NC(=O)CNC[C@H]1CC[C@@H](CC1)F 3800ddd067bf7efd8c57017bdaa14a76 [0,1,0,1,0,0|2,0,0]=4 19190 B13R1.513 NC(=O)CNC[C@H]1CC[C@@H](CC1)O 825dcb74b5b208cd3d165392c27639c0 [0,1,0,1,0,0|2,0,0]=4 19191 B13R1.513 NC(=O)CNC[C@H]1CC[C@H](CC1)F 2ed9cfd760aa016d5cbe23f8354f8267 [0,1,0,1,0,0|2,0,0]=4 19192 B13R1.513 O=C(O)CCCN1CCC(CC1)O 0eb35abf5cf2f6dcfa5becee95cb45bc [0,1,0,1,0,0|1,0,0]=3 19193 B13R1.513 O=C(O)CCNC1CCC(CC1)Cl 6b9ef2fbc1b5a3c838098f85ba77dc4b [0,1,0,1,0,0|1,0,0]=3 19194 B13R1.513 O=C(O)CCNC1CCC(CC1)O 5b2e33c87bcfc54f836a5e03afa6a5ef [0,1,0,1,0,0|1,0,0]=3 19195 B13R1.513 O=C(O)CCN[C@H]1CC[C@@H](CC1)Cl e26570649847819ad0869e3c5f994324 [0,1,0,1,0,0|1,0,0]=3 19196 B13R1.513 O=C(O)CCN[C@H]1CC[C@@H](CC1)O 730bcb6a374f2c681abf4c4bb7c80727 [0,1,0,1,0,0|1,0,0]=3 19197 B13R1.513 O=C(O)CCN[C@H]1CC[C@H](CC1)Cl e3ed86f884b2efcab1fccc19670c9a59 [0,1,0,1,0,0|1,0,0]=3 19198 B13R1.513 O=C(O)CCN[C@H]1CC[C@H](CC1)O ec505f4d7f2b70a4f380dcd7969664fc [0,1,0,1,0,0|1,0,0]=3 19199 B13R1.513 O=C(O)CCOC1CCC(=O)CC1 468bbefa5150633fdf121539a6f0e41c [0,1,0,1,0,0|1,0,1]=4 19200 B13R1.513 O=C(O)CCOC1CCC(CC1)F 2a4ed6a210f2ad99e61c41195f3ca028 [0,1,0,1,0,0|1,0,0]=3 19201 B13R1.513 O=C(O)CNCC1CCC(CC1)Cl a39f61c17e017d91157bb0cd460f5c9a [0,1,0,1,0,0|1,0,0]=3 19202 B13R1.513 O=C(O)CNCC1CCC(CC1)O ef812e11a38d8e0b12d11bb64d14bef5 [0,1,0,1,0,0|1,0,0]=3 19203 B13R1.513 O=C(O)CNC[C@H]1CC[C@@H](CC1)F ef9b21a3c5d6f0c967b553630debfa5b [0,1,0,1,0,0|1,0,0]=3 19204 B13R1.513 O=C(O)CNC[C@H]1CC[C@@H](CC1)O 0eda90f677e84b030baea7618fb7909a [0,1,0,1,0,0|1,0,0]=3 19205 B13R1.513 O=C(O)CNC[C@H]1CC[C@H](CC1)F a52cf96a4afbe810dc19804723a6df95 [0,1,0,1,0,0|1,0,0]=3 19206 B13R1.513 O=C(O)COCC1CCC(=O)CC1 96588c04169b7521c73497d28e9ba1cb [0,1,0,1,0,0|1,0,1]=4 19207 B13R1.513 O=S(O)CCNC1CCC(CC1)O 2ea63ca92ccac3a7889212d3b1c80f84 [0,1,0,1,0,0|2,0,0]=4 19208 B13R1.530 CC(CO)CCNCC1CC(=O)O1 8a68bf3ebb5848a24684135c9a782b33 [0,1,0,1,0,0|2,0,0]=4 19209 B13R1.530 CCC(C)CCNCC1CC(=O)C1 67e6d56640a544f2348eee6984670548 [0,1,0,1,0,0|2,0,0]=4 19210 B13R1.530 CCC(C)CCNCC1CC(=O)N1 e739a40cc00f92515e9e47ff18b60507 [0,1,0,1,0,0|2,0,0]=4 19211 B13R1.530 CCC(C)CCNCC1CC(=O)O1 127ecb8184298862784c13315aa452e6 [0,1,0,1,0,0|1,0,0]=3 19212 B13R1.530 CCC(C)CCOCC1CC(=O)C1 f54376687030dc5638464028076c5b5b [0,1,0,1,0,0|2,0,0]=4 19213 B13R1.530 CCC(C)CCOCC1CC(=O)N1 6ce7bc560bc56b39acc0dd45e6c1bf15 [0,1,0,1,0,0|2,0,0]=4 19214 B13R1.530 CCC(C)CCOCC1CC(=O)O1 24c16ac283c38dfc844554b33a22dad0 [0,1,0,1,0,0|1,0,0]=3 19215 B13R1.530 CCC(C)CCOC[C@@H]1CC(=O)N1 82d3f3d596fb1e15d5224e1db7752247 [0,1,0,1,0,0|2,0,0]=4 19216 B13R1.530 CCC(C)CCOC[C@H]1CC(=O)N1 3da550e240790560c0887cc24ba02609 [0,1,0,1,0,0|2,0,0]=4 19217 B13R1.530 CCC(S)CCOCC1CC(=O)C1 b8ebc3312eff6193f09185c042e39e94 [0,1,0,1,0,0|2,0,0]=4 19218 B13R1.530 CCC(S)CCOCC1CC(=O)N1 9578eeda43e0f52de409b84b4036457d [0,1,0,1,0,0|2,0,0]=4 19219 B13R1.530 CCC(S)CCOCC1CC(=O)O1 3d82817aa659048e3a8ae167ff78b6cb [0,1,0,1,0,0|1,0,0]=3 19220 B13R1.530 CC[C@H](C)CCOCC1CC(=O)C1 70f9e6a1555595fc256a92754f1bfd19 [0,1,0,1,0,0|2,0,0]=4 19221 B13R1.530 CC[C@H](C)CCOCC1CC(=O)N1 94a9d7c67af51e7af2dcbfd8c920e372 [0,1,0,1,0,0|2,0,0]=4 19222 B13R1.530 CC[C@H](C)CCOCC1CC(=O)O1 6ca69e186ba7b4dd2cbc81f7b8b60a70 [0,1,0,1,0,0|1,0,0]=3 19223 B13R1.530 COC(C)CCOCC1CC(=O)O1 13511a549cfe9e8e792d2b2a9a666b36 [0,1,0,1,0,0|2,0,0]=4 19224 B13R1.530 C[C@@H](CO)CCNCC1CC(=O)O1 e6dd819f2339e01e165f09bf61291a93 [0,1,0,1,0,0|2,0,0]=4 19225 B13R1.530 O=C1CC(O1)CNCCC(O)CO 6ac5e22eba5f7f9cbeabc1f4c1550508 [0,1,0,1,0,0|2,0,0]=4 19226 B13R1.538 C=CC(=O)CCCOCC1CC1C 1e82506c4ee887af782e00eaa096ef64 [0,1,0,1,0,0|2,0,0]=4 19227 B13R1.538 C=CC(=O)CCCOC[C@@H]1C[C@@H]1C db7097cda95d404f077da3bca0f825f5 [0,1,0,1,0,0|2,0,0]=4 19228 B13R1.538 C=CC(=O)CCCOC[C@@H]1C[C@H]1C a528350c7adc51f1a2ac34b17126e91e [0,1,0,1,0,0|2,0,0]=4 19229 B13R1.538 C=CC(=O)CCCOC[C@H]1C[C@@H]1C 3c330eae2b062d96f669bfb8c517b6e7 [0,1,0,1,0,0|2,0,0]=4 19230 B13R1.538 CCC(=O)CCCCNC1CC1C 1da3653178bdd5963db4ab1b48baead3 [0,1,0,1,0,0|2,0,0]=4 19231 B13R1.538 CNC(=O)CCCOCC1CC1C 87f8ae96693e80e06e87bd17d342281e [0,1,0,1,0,0|2,0,0]=4 19232 B13R1.538 CNC(=O)CCCOC[C@@H]1C[C@@H]1C 68d406740b5cc7e7b56463cb3d7f7267 [0,1,0,1,0,0|2,0,0]=4 19233 B13R1.538 CNC(=O)CCCOC[C@@H]1C[C@H]1C c96f3aefd7c8f20cc31333a12b49836e [0,1,0,1,0,0|2,0,0]=4 19234 B13R1.538 CNC(=O)CCCOC[C@H]1C[C@@H]1C d2a2cd2a05a1799a3adc9eccf5c10459 [0,1,0,1,0,0|2,0,0]=4 19235 B13R1.538 COC(=O)CCCCNC1CC1C fff1ff0ced2c194c1f07ff18bc4c45a6 [0,1,0,1,0,0|1,0,0]=3 19236 B13R1.538 COC(=O)CCCCN[C@@H]1C[C@H]1F c2e858803f09fd0ff375aef3b40b5e13 [0,1,0,1,0,0|2,0,0]=4 19237 B13R1.538 COC(=O)CCCCN[C@H]1C[C@@H]1F e01e72216f5e70e1a0d009c43496c9a4 [0,1,0,1,0,0|2,0,0]=4 19238 B13R1.538 COC(=O)CCCCN[C@H]1C[C@H]1F d0d61ab59f1540865eec92462a81ba98 [0,1,0,1,0,0|2,0,0]=4 19239 B13R1.538 COC(=O)CCCOCC1CC1C 4fd9dbc215860a4c232bae6aa2014236 [0,1,0,1,0,0|1,0,0]=3 19240 B13R1.538 COC(=O)CCCOC[C@@H]1C[C@@H]1C 1d1bc1130ba7b0b4b60e16ffca8da145 [0,1,0,1,0,0|1,0,0]=3 19241 B13R1.538 COC(=O)CCCOC[C@@H]1C[C@@H]1F d35e53196ee444cf3736d2459ff232c5 [0,1,0,1,0,0|2,0,0]=4 19242 B13R1.538 COC(=O)CCCOC[C@@H]1C[C@H]1C 842061fbd7908c72de0914ea3429eb3e [0,1,0,1,0,0|1,0,0]=3 19243 B13R1.538 COC(=O)CCCOC[C@@H]1C[C@H]1F 857d3a1378b77253405e061c7b9c76d1 [0,1,0,1,0,0|2,0,0]=4 19244 B13R1.538 COC(=O)CCCOC[C@H]1C[C@@H]1C 87714f07777461d9a6e8760301145071 [0,1,0,1,0,0|1,0,0]=3 19245 B13R1.538 COC(=O)CCCOC[C@H]1C[C@@H]1F e685b377a2d798e4773e9c1cce74a665 [0,1,0,1,0,0|2,0,0]=4 19246 B13R1.538 COC(=O)CCCOC[C@H]1C[C@H]1F cebffa72e3a197b74746c8e3674c5b31 [0,1,0,1,0,0|2,0,0]=4 19247 B13R1.538 COC(=O)COCCNC1CC1C 7bcd2974d41d1b3dc8e681b0632aec03 [0,1,0,1,0,0|2,0,0]=4 19248 B13R1.547 CC(CO)N1CCCCC1C(=O)O 108757712b0172ee0b9c1d3a44e75dc2 [0,1,0,1,0,0|2,0,0]=4 19249 B13R1.547 CC(CO)N1CCCC[C@@H]1C(=O)O 7efcf93d63156f2fa8bb66b0a30605de [0,1,0,1,0,0|2,0,0]=4 19250 B13R1.547 CC(CO)N1CCCC[C@H]1C(=O)O 8c5cfc44303ece7e7d1031cf82ff6118 [0,1,0,1,0,0|2,0,0]=4 19251 B13R1.547 CCC(C)N1CCCCC1C(=O)C 7600a5bce40494491882d5e57e074cc7 [0,1,0,1,0,0|2,0,0]=4 19252 B13R1.547 CCC(C)N1CCCCC1C(=O)N 2672453b099f57db3ce62beacc9924fe [0,1,0,1,0,0|2,0,0]=4 19253 B13R1.547 CCC(C)N1CCCCC1C(=O)O f8f501a1ad563ab4ff5651225643c163 [0,1,0,1,0,0|1,0,0]=3 19254 B13R1.547 CCC(C)N1CCCC[C@@H]1C(=O)N b94f3cc1b382706c060efb962fa54a81 [0,1,0,1,0,0|2,0,0]=4 19255 B13R1.547 CCC(C)N1CCCC[C@@H]1C(=O)O b7b3b6402e65b30c5010335ea0be7822 [0,1,0,1,0,0|1,0,0]=3 19256 B13R1.547 CCC(C)N1CCCC[C@H]1C(=O)N 5f57cd3493399f6f55279111884aefef [0,1,0,1,0,0|2,0,0]=4 19257 B13R1.547 CCC(C)N1CCCC[C@H]1C(=O)O 613d135dd252f68da6094729e8da2816 [0,1,0,1,0,0|1,0,0]=3 19258 B13R1.547 CCC(C)N1CCCSC1C(=O)O 643d1ecad3c9b7adeaab9b9d7ea7355f [0,1,0,1,0,0|2,0,0]=4 19259 B13R1.547 CCC(C)N1CCOCC1C(=O)O ba75c5fe898ad4e95f3cff16604d05d1 [0,1,0,1,0,0|2,0,0]=4 19260 B13R1.547 CCC(C)N1CCOC[C@@H]1C(=O)O e24c772d67d12f28403e82620036c719 [0,1,0,1,0,0|2,0,0]=4 19261 B13R1.547 CCC(C)N1CCOC[C@H]1C(=O)O 1875981ac71f65cb7c130271ca590206 [0,1,0,1,0,0|2,0,0]=4 19262 B13R1.547 CCC(C)N1CCSCC1C(=O)O 1ffb094cb76f061a353ee9ff637c8a0f [0,1,0,1,0,0|2,0,0]=4 19263 B13R1.547 CCC(C)N1CCSC[C@@H]1C(=O)O 0c6c4057fc9e8efb7ad5fcb47a8eb44a [0,1,0,1,0,0|2,0,0]=4 19264 B13R1.547 CCC(C)N1CCSC[C@H]1C(=O)O 7ca9b6ffe661a49ecf9099810ce18c00 [0,1,0,1,0,0|2,0,0]=4 19265 B13R1.547 C[C@@H](CO)N1CCCCC1C(=O)O 3855d1f6f64d1d004b8935844af4e842 [0,1,0,1,0,0|2,0,0]=4 19266 B13R1.547 C[C@@H](CO)N1CCCC[C@@H]1C(=O)O 464c3766fffb13e29df52bd0ab0dc4a6 [0,1,0,1,0,0|2,0,0]=4 19267 B13R1.547 C[C@@H](CO)N1CCCC[C@H]1C(=O)O 1936eced065b9b8c2df11af6159c4be5 [0,1,0,1,0,0|2,0,0]=4 19268 B13R1.547 C[C@H](CO)N1CCCCC1C(=O)O 54a6d17a1440ea79139004095b0ff01e [0,1,0,1,0,0|2,0,0]=4 19269 B13R1.547 C[C@H](CO)N1CCCC[C@@H]1C(=O)O 54c47002026ec9a5b3653952c681c124 [0,1,0,1,0,0|2,0,0]=4 19270 B13R1.547 C[C@H](CO)N1CCCC[C@H]1C(=O)O 30f5f846ad4cb998ec3ff8e96207ab0d [0,1,0,1,0,0|2,0,0]=4 19271 B13R1.551 CC(CO)N1CCCC1CC(=O)O 171a043509b4e5de1d9d797517c72436 [0,1,0,1,0,0|2,0,0]=4 19272 B13R1.551 CC(CO)N1CCC[C@@H]1CC(=O)O 189b8bc60daaf520542eb0687eb51ea3 [0,1,0,1,0,0|2,0,0]=4 19273 B13R1.551 CC(CO)N1CCC[C@H]1CC(=O)O 06bba46dd75c8c4481022dad02af23a7 [0,1,0,1,0,0|2,0,0]=4 19274 B13R1.551 CCC(C)N1CCCC1CC(=O)O edd106c0fe294215ac6051a78d40bb50 [0,1,0,1,0,0|1,0,0]=3 19275 B13R1.551 CCC(C)N1CCC[C@@H]1CC(=O)O 5b02366a7228d634faf9c1966c8df8e4 [0,1,0,1,0,0|1,0,0]=3 19276 B13R1.551 CCC(C)N1CCC[C@H]1CC(=O)O ba9de18d423c9b0875d86609a8886a2d [0,1,0,1,0,0|1,0,0]=3 19277 B13R1.551 C[C@@H](CO)N1CCCC1CC(=O)O 1754325f3e928f6ed91d52bdeb60d99e [0,1,0,1,0,0|2,0,0]=4 19278 B13R1.551 C[C@@H](CO)N1CCC[C@@H]1CC(=O)O 5aaaa1ea1adff5edeb2d65fa15e854f0 [0,1,0,1,0,0|2,0,0]=4 19279 B13R1.551 C[C@@H](CO)N1CCC[C@H]1CC(=O)O f359256ce830df7bf3276ef884ec71de [0,1,0,1,0,0|2,0,0]=4 19280 B13R1.551 C[C@H](CO)N1CCCC1CC(=O)O 3cb17d015b3d71cf1464b6d0c158f7e9 [0,1,0,1,0,0|2,0,0]=4 19281 B13R1.551 C[C@H](CO)N1CCC[C@@H]1CC(=O)O 36387db339a1c487aa57ddba02545617 [0,1,0,1,0,0|2,0,0]=4 19282 B13R1.551 C[C@H](CO)N1CCC[C@H]1CC(=O)O 3f8fe206ebbcba9952efe350ce8dbd9a [0,1,0,1,0,0|2,0,0]=4 19283 B13R1.586 C=C(C)CCCNCCC1CCC1 66644ac594a500b02aabee69923db904 [0,1,0,1,0,0|2,0,0]=4 19284 B13R1.586 C=C(C)CCCOCCC1CCC1 4627803b009fb58e6379b02050f56393 [0,1,0,1,0,0|2,0,0]=4 19285 B13R1.586 C=C(C)CCOCCCC1CCC1 096d94a163588ffe6c50e8f3b8cacb47 [0,1,0,1,0,0|2,0,0]=4 19286 B13R1.586 CC(=O)CCCCCNC1CCC1 353ba0cf69cd2d4021f21ffc2f4e194f [0,1,0,1,0,0|1,0,0]=3 19287 B13R1.586 CC(=O)CCCCCNC1COC1 2d6653a0e9a1545ad5505efdc312bb04 [0,1,0,1,0,0|2,0,0]=4 19288 B13R1.586 CC(=O)CCCCCOC1CCC1 1a691aa651e57d539a9967b1fc03179e [0,1,0,1,0,0|1,0,0]=3 19289 B13R1.586 CC(=O)CCCCCOC1COC1 ece8e67ac4eeb666c25718e8b4d51afa [0,1,0,1,0,0|2,0,0]=4 19290 B13R1.586 CC(=O)CCCCCOC1CSC1 771b4b6fde3638251c1beb6e667e38c5 [0,1,0,1,0,0|2,0,0]=4 19291 B13R1.586 CC(=O)CCCCNCC1CCC1 7a3ec919ee4aa79618e879e938d2467a [0,1,0,1,0,0|1,0,0]=3 19292 B13R1.586 CC(=O)CCCCNCC1CCO1 da1eff2b281b7e3653b761c1c990423a [0,1,0,1,0,0|2,0,0]=4 19293 B13R1.586 CC(=O)CCCCNCC1COC1 87a41234fdd84ec1fab307505e3e62ed [0,1,0,1,0,0|2,0,0]=4 19294 B13R1.586 CC(=O)CCCCNC[C@@H]1CCO1 3b59af72d906e1847ab0a12768357926 [0,1,0,1,0,0|2,0,0]=4 19295 B13R1.586 CC(=O)CCCCNC[C@H]1CCO1 df60b38465d20cafd699a2a893edda93 [0,1,0,1,0,0|2,0,0]=4 19296 B13R1.586 CC(=O)CCCCOCC1CCC1 56671f5e4b1fe510f454d2d7d843f672 [0,1,0,1,0,0|1,0,0]=3 19297 B13R1.586 CC(=O)CCCCOCC1CCO1 9643daf6c047430374c7f5f0393d0148 [0,1,0,1,0,0|2,0,0]=4 19298 B13R1.586 CC(=O)CCCCOCC1COC1 6f00ca4d86fc3ba54a6bfc194137d58c [0,1,0,1,0,0|2,0,0]=4 19299 B13R1.586 CC(=O)CCCCOCC1CSC1 9a52452474345091c8bc91a2258e2473 [0,1,0,1,0,0|2,0,0]=4 19300 B13R1.586 CC(=O)CCCCOC[C@@H]1CCO1 b0a1fb9c75258eae668516d82c976b40 [0,1,0,1,0,0|2,0,0]=4 19301 B13R1.586 CC(=O)CCCCOC[C@H]1CCO1 c5011495c8a9ab2c8357e6fb588a5448 [0,1,0,1,0,0|2,0,0]=4 19302 B13R1.586 CC(=O)CCCNCCC1CCC1 4760eca560a79a1716f0c77604c58757 [0,1,0,1,0,0|1,0,0]=3 19303 B13R1.586 CC(=O)CCCNCCC1CCO1 cc82db8af747f33f6d022e4f9907309e [0,1,0,1,0,0|2,0,0]=4 19304 B13R1.586 CC(=O)CCCNCCC1COC1 1525a0810c21b430fe9e0f317c48d409 [0,1,0,1,0,0|2,0,0]=4 19305 B13R1.586 CC(=O)CCCNCCN1CCC1 16ca5d7d7a0e7fcd5ae1172982c2258f [0,1,0,1,0,0|2,0,0]=4 19306 B13R1.586 CC(=O)CCCNCC[C@@H]1CCO1 c2e799e92e8632f5a8d9853d8390e4db [0,1,0,1,0,0|2,0,0]=4 19307 B13R1.586 CC(=O)CCCOCCC1CCC1 a002bac941db3f191db4a6c6975d6c42 [0,1,0,1,0,0|1,0,0]=3 19308 B13R1.586 CC(=O)CCCOCCC1CCO1 0bc921d5b4b8c03c23b4680f2b4cedb8 [0,1,0,1,0,0|2,0,0]=4 19309 B13R1.586 CC(=O)CCCOCCC1COC1 a321be60ec51149f57f238b06eb3b8ec [0,1,0,1,0,0|2,0,0]=4 19310 B13R1.586 CC(=O)CCCOCCN1CCC1 4f6f98e900e38a274f20508fb7a21723 [0,1,0,1,0,0|2,0,0]=4 19311 B13R1.586 CC(=O)CCCOCC[C@@H]1CCO1 176906d09bfcab61a09d563ddc417ef7 [0,1,0,1,0,0|2,0,0]=4 19312 B13R1.586 CC(=O)CCCOCC[C@H]1CCO1 e6e7bbddc61756b618118b0a14d15702 [0,1,0,1,0,0|2,0,0]=4 19313 B13R1.586 CC(=O)CCNCCCN1CCC1 e881402373d637a1dc1b12db2ab9e15a [0,1,0,1,0,0|2,0,0]=4 19314 B13R1.586 CC(=O)CCOCCCC1CCC1 99e64b7b30d0a04300ea4779d7a88de8 [0,1,0,1,0,0|1,0,0]=3 19315 B13R1.586 CC(=O)CCOCCCC1COC1 0b46f8da9a65c12f63b7aef4b9a7b28e [0,1,0,1,0,0|2,0,0]=4 19316 B13R1.586 CC(=O)CCOCCCN1CCC1 2a9002994b21a138d878a5c1ef6c4402 [0,1,0,1,0,0|2,0,0]=4 19317 B13R1.586 CC(=O)CCOCCOC1CCC1 f31ecb888fc86c212777c939720d760b [0,1,0,1,0,0|2,0,0]=4 19318 B13R1.586 CC(=O)NCCCCNC1CCC1 711c0e2bf7811525cf09060e26b77672 [0,1,0,1,0,0|2,0,0]=4 19319 B13R1.586 CC(=O)NCCCNCC1CCC1 95bf741f5df71a2b8112cdf4270f4831 [0,1,0,1,0,0|2,0,0]=4 19320 B13R1.586 CC(=O)NCCCOCC1CCC1 f7060acf9aab6c29c6f9cd5ad067ae1c [0,1,0,1,0,0|2,0,0]=4 19321 B13R1.586 CC(=O)NCCNCCC1CCC1 732d30801d96c1a3367162c0e5cd3eac [0,1,0,1,0,0|2,0,0]=4 19322 B13R1.586 CC(=O)NCCOCCC1CCC1 476fd8115d6fa5747b345c19f961a5aa [0,1,0,1,0,0|2,0,0]=4 19323 B13R1.586 CC(=O)OCCCCCN1CCC1 b1e3eb742f701949fa8b0d0050f0b11f [0,1,0,1,0,0|2,0,0]=4 19324 B13R1.586 CC(=O)OCCCCNC1CCC1 8a5627c8f3962e87f5c254a38bbc9b8f [0,1,0,1,0,0|2,0,0]=4 19325 B13R1.586 CC(=O)OCCCCOC1CCC1 bffa0c5640de4d26c0b1b20c21040040 [0,1,0,1,0,0|2,0,0]=4 19326 B13R1.586 CC(=O)OCCCNCC1CCC1 4b405efc45b52866365f38dff868a54d [0,1,0,1,0,0|2,0,0]=4 19327 B13R1.586 CC(=O)OCCCOCC1CCC1 8612fbe777c1e59ea856e7f3e7b3e9fd [0,1,0,1,0,0|2,0,0]=4 19328 B13R1.586 CC(=O)OCCNCCC1CCC1 bdfa8ee091b219b70ed5484a9ce3edf2 [0,1,0,1,0,0|2,0,0]=4 19329 B13R1.586 CC(=O)OCCOCCC1CCC1 542590c87255090a2d8b9f2b7eb5a05f [0,1,0,1,0,0|2,0,0]=4 19330 B13R1.586 CC(=O)OCOCCCC1CCC1 7579042c9340fbe14580b5d8d4575b67 [0,1,0,1,0,0|2,0,0]=4 19331 B13R1.586 CC(=O)SCCCCNC1CCC1 3142d12b8095387035a8e844c5cfd377 [0,1,0,1,0,0|2,0,0]=4 19332 B13R1.586 CC(=O)SCCCCOC1CCC1 82290c7be3640e16bc121568f3ba451e [0,1,0,1,0,0|2,0,0]=4 19333 B13R1.586 CC(=O)SCCCNCC1CCC1 8d673563c0ac3151003afc4cb43d4d1e [0,1,0,1,0,0|2,0,0]=4 19334 B13R1.586 CC(=O)SCCCOCC1CCC1 e1d1a49a2f3e6d8cecf0235eaed9c484 [0,1,0,1,0,0|2,0,0]=4 19335 B13R1.586 CC(=O)SCCNCCC1CCC1 ee3ba44b5685332e1c21bda75303e3fe [0,1,0,1,0,0|2,0,0]=4 19336 B13R1.586 CC(=O)SCCOCCC1CCC1 2f655a42a6674ccae4036a91f83c8ea7 [0,1,0,1,0,0|2,0,0]=4 19337 B13R1.586 CC(O)CCCCNCC1CCC1 58dc10e139a0618840cd86294aaefaf7 [0,1,0,1,0,0|1,0,1]=4 19338 B13R1.586 CC(O)CCCNCCC1CCC1 5a5f8e249c6ec5298b3928a6977b7b9f [0,1,0,1,0,0|1,0,1]=4 19339 B13R1.586 CS(=O)CCCNCCC1CCC1 29222aa2005a33f8477655523cc3d842 [0,1,0,1,0,0|2,0,0]=4 19340 B13R1.586 CS(=O)CCOCCCC1CCC1 a966646c0ab02eca7df850099b22ad78 [0,1,0,1,0,0|2,0,0]=4 19341 B13R1.586 C[C@@H](O)CCCCNCC1CCC1 74b56b766182ed1806910274dcd24ef3 [0,1,0,1,0,0|1,0,1]=4 19342 B13R1.586 NC(=O)CCCCCNC1CCC1 bf1ada72bcd063fd889f6b1b033e0839 [0,1,0,1,0,0|1,0,0]=3 19343 B13R1.586 NC(=O)CCCCCNC1COC1 1cfbee6f864b1bab1f3adce23ac4b338 [0,1,0,1,0,0|2,0,0]=4 19344 B13R1.586 NC(=O)CCCCCOC1CCC1 25f44e8db183880fcf3a07494599ddbe [0,1,0,1,0,0|1,0,0]=3 19345 B13R1.586 NC(=O)CCCCCOC1COC1 00fc4c39da51273863e5365163722ae2 [0,1,0,1,0,0|2,0,0]=4 19346 B13R1.586 NC(=O)CCCCCOC1CSC1 226077ef1d056df6ae4ff587c9a2fd90 [0,1,0,1,0,0|2,0,0]=4 19347 B13R1.586 NC(=O)CCCCNCC1CCC1 e300659b35b35663fc979c570131e4d8 [0,1,0,1,0,0|1,0,0]=3 19348 B13R1.586 NC(=O)CCCCNCC1CCO1 7233947b86d347bb1b861a0b6c25c075 [0,1,0,1,0,0|2,0,0]=4 19349 B13R1.586 NC(=O)CCCCNCC1COC1 c471b2b892ad068ba6f4b6a4eb1a6436 [0,1,0,1,0,0|2,0,0]=4 19350 B13R1.586 NC(=O)CCCCNC[C@@H]1CCO1 ab1eb3463e03ede89ea18489699601fa [0,1,0,1,0,0|2,0,0]=4 19351 B13R1.586 NC(=O)CCCCNC[C@H]1CCO1 4ca2ed3c7b92dca774d33c899cea8a17 [0,1,0,1,0,0|2,0,0]=4 19352 B13R1.586 NC(=O)CCCCOCC1CCC1 164eac31416217b0e12371b13214f084 [0,1,0,1,0,0|1,0,0]=3 19353 B13R1.586 NC(=O)CCCCOCC1CCO1 6674f7d910257e11d8ca9472405204d0 [0,1,0,1,0,0|2,0,0]=4 19354 B13R1.586 NC(=O)CCCCOCC1COC1 b4d14c7a7ff877c6edf4b828d653d0d7 [0,1,0,1,0,0|2,0,0]=4 19355 B13R1.586 NC(=O)CCCCOCC1CSC1 ea0551f60ec2417332a88555f444aa13 [0,1,0,1,0,0|2,0,0]=4 19356 B13R1.586 NC(=O)CCCCOC[C@@H]1CCO1 62641e2814c284e0e048f1f6e463b1ca [0,1,0,1,0,0|2,0,0]=4 19357 B13R1.586 NC(=O)CCCCOC[C@H]1CCO1 f2fb7992a264826b04e19db08a405da1 [0,1,0,1,0,0|2,0,0]=4 19358 B13R1.586 NC(=O)CCCNCCC1CCC1 67b4b56ba53c0d223a9721a229d74b12 [0,1,0,1,0,0|1,0,0]=3 19359 B13R1.586 NC(=O)CCCNCCC1CCO1 bc03c7ba350952a20eecde07783e04f5 [0,1,0,1,0,0|2,0,0]=4 19360 B13R1.586 NC(=O)CCCNCCC1COC1 6cbf4f89df80149402ec5e3444bde6c3 [0,1,0,1,0,0|2,0,0]=4 19361 B13R1.586 NC(=O)CCCNCCN1CCC1 008d9802fae40906f1965b43e3c0b4cf [0,1,0,1,0,0|2,0,0]=4 19362 B13R1.586 NC(=O)CCCNCC[C@@H]1CCO1 66ccf0cf013eecc926176e2eb216960d [0,1,0,1,0,0|2,0,0]=4 19363 B13R1.586 NC(=O)CCCOCCC1CCC1 4612a305d8eed25101d78eed7b140241 [0,1,0,1,0,0|1,0,0]=3 19364 B13R1.586 NC(=O)CCCOCCC1CCO1 baf410b3f3e06aeb374db4b507626c38 [0,1,0,1,0,0|2,0,0]=4 19365 B13R1.586 NC(=O)CCCOCCC1COC1 65a52feaa66dfd3302db9a59ba0c44f4 [0,1,0,1,0,0|2,0,0]=4 19366 B13R1.586 NC(=O)CCCOCCN1CCC1 ce3b9f192d7a6f0fbaa514ab1b36b1a1 [0,1,0,1,0,0|2,0,0]=4 19367 B13R1.586 NC(=O)CCCOCC[C@@H]1CCO1 df64cabda8dbb56644a9f434c1b109a5 [0,1,0,1,0,0|2,0,0]=4 19368 B13R1.586 NC(=O)CCCOCC[C@H]1CCO1 be1d249ccd35a0b0421c5a27c4e75df4 [0,1,0,1,0,0|2,0,0]=4 19369 B13R1.586 NC(=O)CCNCCCN1CCC1 a104f67bd221b8b69be6b602bf48385f [0,1,0,1,0,0|2,0,0]=4 19370 B13R1.586 NC(=O)CCNCCOC1CCC1 ad6e8125e1213c42d233a8338eaa5210 [0,1,0,1,0,0|2,0,0]=4 19371 B13R1.586 NC(=O)CCOCCCC1CCC1 6812f254db285749689802fa248e81fb [0,1,0,1,0,0|1,0,0]=3 19372 B13R1.586 NC(=O)CCOCCCC1COC1 bd8505bd06bdc8c33fdb33c5dc0b03f0 [0,1,0,1,0,0|2,0,0]=4 19373 B13R1.586 NC(=O)CCOCCCN1CCC1 33c8d6d555945f237fcc25469f896bdb [0,1,0,1,0,0|2,0,0]=4 19374 B13R1.586 NC(=O)CCOCCOC1CCC1 62b55a02bee246b1da856f054d0d0034 [0,1,0,1,0,0|2,0,0]=4 19375 B13R1.586 NC(=O)COCCNCC1CCC1 84f3baec43f8cc2a30393837e1ea7d94 [0,1,0,1,0,0|2,0,0]=4 19376 B13R1.586 NC(=O)COCCOCC1CCC1 a717dfe507769424c8b6cb6309911cbe [0,1,0,1,0,0|2,0,0]=4 19377 B13R1.586 NC(=O)CSCCOCC1CCC1 a1b5d64743d0821d813194c5397bc1b4 [0,1,0,1,0,0|2,0,0]=4 19378 B13R1.586 NC(=O)NCCNCCC1CCC1 c75bdd20029dea8cbce28a908da69738 [0,1,0,1,0,0|2,0,0]=4 19379 B13R1.586 NC(=O)NCCOCCC1CCC1 ccdf5202c2e82f877b1cae3ba36642ca [0,1,0,1,0,0|2,0,0]=4 19380 B13R1.586 NC(=O)SCOCCCC1CCC1 eb2b0754fca4871e2b8ddcc1c7691bf5 [0,1,0,1,0,0|2,0,0]=4 19381 B13R1.586 O=C(O)/C=C/CNCCC1CCC1 dd5a482b54a06ec2350e924d43d294f3 [0,1,0,1,0,0|0,0,2]=4 19382 B13R1.586 O=C(O)/C=C/COCCC1CCC1 f74f19b3b9519dc95880b46834d17807 [0,1,0,1,0,0|0,0,2]=4 19383 B13R1.586 O=C(O)C#CCCOCC1CCC1 db399b97a4ea3598805342ec400c7194 [0,1,0,1,0,0|0,0,2]=4 19384 B13R1.586 O=C(O)C#CCNCCC1CCC1 fc67110496341ad30b6155a39b537a78 [0,1,0,1,0,0|0,0,2]=4 19385 B13R1.586 O=C(O)C#CCOCCC1CCC1 31042bd023ab0da9749496512ab81792 [0,1,0,1,0,0|0,0,2]=4 19386 B13R1.586 O=C(O)C=CCNCCC1CCC1 2c9fae2b9b61c0553accd0e5d9ccc102 [0,1,0,1,0,0|0,0,2]=4 19387 B13R1.586 O=C(O)C=CCOCCC1CCC1 d2d76aa124da51e0fa4ff928947aef43 [0,1,0,1,0,0|0,0,2]=4 19388 B13R1.586 O=C(O)CCCCCNC1CCC1 1f11b742e92af36a50b91d1c10018dc7 [0,1,0,1,0,0|0,0,0]=2 19389 B13R1.586 O=C(O)CCCCCOC1CCC1 83bdfc9af9b5b76de697dae7ce6f91cf [0,1,0,1,0,0|0,0,0]=2 19390 B13R1.586 O=C(O)CCCCNCC1CCC1 fd6b90481cc4401105cfe42d3b62cfe4 [0,1,0,1,0,0|0,0,0]=2 19391 B13R1.586 O=C(O)CCCCNCC1CCO1 5c20a479dbbc0c4f19b412630675827e [0,1,0,1,0,0|1,0,0]=3 19392 B13R1.586 O=C(O)CCCCNCC1COC1 a487a6168ddc80873a1321511ed9c0a9 [0,1,0,1,0,0|1,0,0]=3 19393 B13R1.586 O=C(O)CCCCNC[C@@H]1CCO1 9de4678b4a8bbe6018248876a6c00383 [0,1,0,1,0,0|1,0,0]=3 19394 B13R1.586 O=C(O)CCCCNC[C@H]1CCO1 fc3f9f07cbb49b1a8acea09dcb1a7ade [0,1,0,1,0,0|1,0,0]=3 19395 B13R1.586 O=C(O)CCCCOCC1CCC1 48418b33c90d313fb601c34d13ed3001 [0,1,0,1,0,0|0,0,0]=2 19396 B13R1.586 O=C(O)CCCCOCC1CCO1 ce977efbbcda54cac459e114b392a318 [0,1,0,1,0,0|1,0,0]=3 19397 B13R1.586 O=C(O)CCCCOCC1COC1 a474ea4abcbedb3f586e1233071fccea [0,1,0,1,0,0|1,0,0]=3 19398 B13R1.586 O=C(O)CCCCOCC1CSC1 e29a91741671b45ac8181bf8aac93be9 [0,1,0,1,0,0|1,0,0]=3 19399 B13R1.586 O=C(O)CCCCOC[C@@H]1CCO1 c6cf047265e0810b88387ec41c9ce123 [0,1,0,1,0,0|1,0,0]=3 19400 B13R1.586 O=C(O)CCCCOC[C@H]1CCO1 4fb990a41771820c6232f6893f608f65 [0,1,0,1,0,0|1,0,0]=3 19401 B13R1.586 O=C(O)CCCNCCC1CCC1 74e340dbb04c0ec783abd443f16a22e9 [0,1,0,1,0,0|0,0,0]=2 19402 B13R1.586 O=C(O)CCCNCCC1CCO1 87b056b2cea862591ab16b5e82d3f25d [0,1,0,1,0,0|1,0,0]=3 19403 B13R1.586 O=C(O)CCCNCCC1COC1 7481cb165013cdde9ffbc1a0d0d2d2e2 [0,1,0,1,0,0|1,0,0]=3 19404 B13R1.586 O=C(O)CCCNCCN1CCC1 9007871bdc193f5da32cd35cf6f593b1 [0,1,0,1,0,0|1,0,0]=3 19405 B13R1.586 O=C(O)CCCNCC[C@@H]1CCO1 7a2bce2d95b0fca3e012d9b7620555b7 [0,1,0,1,0,0|1,0,0]=3 19406 B13R1.586 O=C(O)CCCOCCC1CCO1 c0c05385d4b7b1184eec6096642af743 [0,1,0,1,0,0|1,0,0]=3 19407 B13R1.586 O=C(O)CCCOCCC1COC1 352c966b212421d1e474f4cb4475cd9c [0,1,0,1,0,0|1,0,0]=3 19408 B13R1.586 O=C(O)CCCOCCN1CCC1 e58754bb992b20d91e103bd9639290be [0,1,0,1,0,0|1,0,0]=3 19409 B13R1.586 O=C(O)CCCOCC[C@@H]1CCO1 c95d76b311a83028858b39de587c9c5d [0,1,0,1,0,0|1,0,0]=3 19410 B13R1.586 O=C(O)CCCOCC[C@H]1CCO1 f216b3d7c99b76e561a1c39907ddfdd7 [0,1,0,1,0,0|1,0,0]=3 19411 B13R1.586 O=C(O)CCNCCCN1CCC1 0a4638ed6a9842fca7d2e21e4d7656ae [0,1,0,1,0,0|1,0,0]=3 19412 B13R1.586 O=C(O)CCNCCOC1CCC1 bf63007a1fb89e4dd38d2f1ce2d1e30f [0,1,0,1,0,0|1,0,0]=3 19413 B13R1.586 O=C(O)CCOCCCC1CCC1 8c70b3ef4e434128cebf751c3896f6e1 [0,1,0,1,0,0|0,0,0]=2 19414 B13R1.586 O=C(O)CCOCCCC1COC1 1f852d38330d2008512912b97b678055 [0,1,0,1,0,0|1,0,0]=3 19415 B13R1.586 O=C(O)CCOCCCN1CCC1 7f1e1aceb0a81b4a715af294fa5296f4 [0,1,0,1,0,0|1,0,0]=3 19416 B13R1.586 O=C(O)CCOCCNC1CCC1 709beb993515cce696557d3bff475d8b [0,1,0,1,0,0|1,0,0]=3 19417 B13R1.586 O=C(O)CCOCCNC1COC1 6c32cab1dee545b85d0da414374131f7 [0,1,0,1,0,0|2,0,0]=4 19418 B13R1.586 O=C(O)CCOCCOC1CCC1 453f70877b94f2858e93eb12a732b131 [0,1,0,1,0,0|1,0,0]=3 19419 B13R1.586 O=C(O)CCOCCOC1COC1 50a45ea29e6d1096ec616821197ead70 [0,1,0,1,0,0|2,0,0]=4 19420 B13R1.586 O=C(O)CCOCCOC1CSC1 8293ebb66385ca3a801802fbdfa0596a [0,1,0,1,0,0|2,0,0]=4 19421 B13R1.586 O=C(O)COCCCNC1CCC1 5a4143a4635b8975dd6243caa456aa3b [0,1,0,1,0,0|1,0,0]=3 19422 B13R1.586 O=C(O)COCCCNC1COC1 6a5cb07b76af6e6f58bda458b4d3dfa3 [0,1,0,1,0,0|2,0,0]=4 19423 B13R1.586 O=C(O)COCCCOC1CCC1 f0dfd0c7fbdb238e78935106bb0ca9a5 [0,1,0,1,0,0|1,0,0]=3 19424 B13R1.586 O=C(O)COCCCOC1COC1 c98cdefeea70c6dc34128c1ce32f279d [0,1,0,1,0,0|2,0,0]=4 19425 B13R1.586 O=C(O)COCCCOC1CSC1 73870d5fc025a522fa1b07e8a1a04f2b [0,1,0,1,0,0|2,0,0]=4 19426 B13R1.586 O=C(O)COCCNCC1CCC1 517fab503f905ec109f4a22ca9f455ab [0,1,0,1,0,0|1,0,0]=3 19427 B13R1.586 O=C(O)COCCNCC1CCO1 59f227a3fd19bf6eb13c6828254d2783 [0,1,0,1,0,0|2,0,0]=4 19428 B13R1.586 O=C(O)COCCNCC1COC1 52c32d6fb819b1a17841a27685a6b45b [0,1,0,1,0,0|2,0,0]=4 19429 B13R1.586 O=C(O)COCCNC[C@@H]1CCO1 18c58f16d9beaeb202dee05809bcc1b9 [0,1,0,1,0,0|2,0,0]=4 19430 B13R1.586 O=C(O)COCCNC[C@H]1CCO1 b4e654db1d8c7eb2a98afbc7f058a94a [0,1,0,1,0,0|2,0,0]=4 19431 B13R1.586 O=C(O)COCCOCC1CCC1 e030668c15b2f28f67a92843e73e59d8 [0,1,0,1,0,0|1,0,0]=3 19432 B13R1.586 O=C(O)COCCOCC1CCO1 89f9eaf05027fd391c2a7c487c9d7f69 [0,1,0,1,0,0|2,0,0]=4 19433 B13R1.586 O=C(O)COCCOCC1COC1 01152adcf8ed4904d368c481005c7e03 [0,1,0,1,0,0|2,0,0]=4 19434 B13R1.586 O=C(O)COCCOCC1CSC1 fe31cd8ab254c45882298138bb68fb55 [0,1,0,1,0,0|2,0,0]=4 19435 B13R1.586 O=C(O)COCCOC[C@@H]1CCO1 2006ac89564db59db88a70786039398c [0,1,0,1,0,0|2,0,0]=4 19436 B13R1.586 O=C(O)COCCOC[C@H]1CCO1 0779326456efdf7ed7e84e3113f30525 [0,1,0,1,0,0|2,0,0]=4 19437 B13R1.586 O=C(O)CSCCNCC1CCC1 f50fd0e4cfc302a0caf8510360f5e271 [0,1,0,1,0,0|1,0,0]=3 19438 B13R1.586 O=C(O)CSCCNCC1CCO1 779f2ae752caa601dd96d374e285df8a [0,1,0,1,0,0|2,0,0]=4 19439 B13R1.586 O=C(O)CSCCNCC1COC1 af7e80f55e03e6ec3a3c622ab115ffda [0,1,0,1,0,0|2,0,0]=4 19440 B13R1.586 O=C(O)CSCCNC[C@@H]1CCO1 09c033ec4361b787395d71580444cd2c [0,1,0,1,0,0|2,0,0]=4 19441 B13R1.586 O=C(O)CSCCNC[C@H]1CCO1 ae74cb55b0e054fa809a192d0959edea [0,1,0,1,0,0|2,0,0]=4 19442 B13R1.586 O=S(O)CCNCCOC1CCC1 84435bf334ddf9b64a4304f7a1d640d4 [0,1,0,1,0,0|2,0,0]=4 19443 B13R1.586 O=[N+]([O-])CCCCOCC1CCC1 21db7954b811b023762fd74c9b8f7d13 [0,1,0,1,0,0|1,0,1]=4 19444 B13R1.586 O=[N+]([O-])CCCNCCC1CCC1 0d8c859d439b02da5ff1c16812b3b8fd [0,1,0,1,0,0|1,0,1]=4 19445 B13R1.586 O=[N+]([O-])CCCOCCC1CCC1 45b1688b6341c37cbc675ede9b35ecbb [0,1,0,1,0,0|1,0,1]=4 19446 B13R1.594 C=CC(=O)CCCNCCC1CC1 c2edba23213cebcc1593f44938d90580 [0,1,0,1,0,0|2,0,0]=4 19447 B13R1.594 C=CC(=O)CCCOCCC1CC1 9bcc018f9ab8c420c9c3f10034e182fe [0,1,0,1,0,0|2,0,0]=4 19448 B13R1.594 CCC(=O)CCCCNCC1CC1 423a315bd74ba21b9843ff907727d311 [0,1,0,1,0,0|2,0,0]=4 19449 B13R1.594 CCC(=O)CCCCOCC1CC1 80f1605db340dfa86b964cfda5c90739 [0,1,0,1,0,0|2,0,0]=4 19450 B13R1.594 CNC(=O)CCCNCCC1CC1 18e58a5ed7e1f4ca691d76c4ce3b85e6 [0,1,0,1,0,0|2,0,0]=4 19451 B13R1.594 CNC(=O)CCCOCCC1CC1 87a534c593793e7308b9a2e7ff928b2c [0,1,0,1,0,0|2,0,0]=4 19452 B13R1.594 CNC(=O)CCOCCCC1CC1 949669bb6f2f5777f647e8b9f9e8fd27 [0,1,0,1,0,0|2,0,0]=4 19453 B13R1.594 COC(=O)CCCCCNC1CC1 b33f49a20f0ef12360cfe7dbffd87091 [0,1,0,1,0,0|1,0,0]=3 19454 B13R1.594 COC(=O)CCCCCOC1CC1 a19a1baec6240f46c65879fd3cd8464b [0,1,0,1,0,0|1,0,0]=3 19455 B13R1.594 COC(=O)CCCCNCC1CC1 987b8409f7092c59b1cd4b12fec4b603 [0,1,0,1,0,0|1,0,0]=3 19456 B13R1.594 COC(=O)CCCCOCC1CC1 58edd3984adeb49462c1f9196a7cf71c [0,1,0,1,0,0|1,0,0]=3 19457 B13R1.594 COC(=O)CCCNCCC1CC1 b008b9012101c3953dab5df30b435f8e [0,1,0,1,0,0|1,0,0]=3 19458 B13R1.594 COC(=O)CCCNCCN1CC1 b82ba71ed89985c01cb4f649805e0881 [0,1,0,1,0,0|2,0,0]=4 19459 B13R1.594 COC(=O)CCCOCCC1CC1 2150b8d8abc929fe46cc09637dc4be59 [0,1,0,1,0,0|1,0,0]=3 19460 B13R1.594 COC(=O)CCCOCCN1CC1 8d239932b01a8a69b515d34cccbd225f [0,1,0,1,0,0|2,0,0]=4 19461 B13R1.594 COC(=O)CCNCCOC1CC1 dd8f334bca6ce5b36e05ec219d9a878a [0,1,0,1,0,0|2,0,0]=4 19462 B13R1.594 COC(=O)CCOCCCC1CC1 c9e3a5a792d067b7a7c385058af869a1 [0,1,0,1,0,0|1,0,0]=3 19463 B13R1.594 COC(=O)CCOCCOC1CC1 7a440f01d487b1aef90272c92076ef42 [0,1,0,1,0,0|2,0,0]=4 19464 B13R1.594 COC(=O)CNCCSCC1CC1 510f93e01316f273b9b547283f4007a5 [0,1,0,1,0,0|2,0,0]=4 19465 B13R1.594 COC(=O)COCCCNC1CC1 337d23fa67f9f28c1d3eceabdf13981f [0,1,0,1,0,0|2,0,0]=4 19466 B13R1.594 COC(=O)COCCCOC1CC1 d6f8dc5f5a395e363692b23e3d7d2a45 [0,1,0,1,0,0|2,0,0]=4 19467 B13R1.594 COC(=O)COCCCSC1CC1 0bd042a840b999735cb56e912a668d63 [0,1,0,1,0,0|2,0,0]=4 19468 B13R1.594 COC(=O)COCCNCC1CC1 7deb5e5fb6a695b5cc9dac2d26753270 [0,1,0,1,0,0|2,0,0]=4 19469 B13R1.594 COC(=O)COCCOCC1CC1 dec176cce398b758bf7be1cf8e922053 [0,1,0,1,0,0|2,0,0]=4 19470 B13R1.594 COC(=O)CSCCCNC1CC1 86f40339e5a8814a6f62c5aa9d73bca2 [0,1,0,1,0,0|2,0,0]=4 19471 B13R1.594 COC(=O)CSCCCOC1CC1 fe3a338045b5e949cc92e3004b405508 [0,1,0,1,0,0|2,0,0]=4 19472 B13R1.594 COC(=O)OCCOCCC1CC1 3ee156467d4cfd38680bd5d1ed5bb110 [0,1,0,1,0,0|2,0,0]=4 19473 B13R1.594 COC(=O)OCOCCCC1CC1 862bfb2750ae0732ae7a79ef1a4ff0ff [0,1,0,1,0,0|2,0,0]=4 19474 B13R1.594 O=C(CCNCCOC1CC1)NO c031d4a04b81a55f6c96989d493af513 [0,1,0,1,0,0|2,0,0]=4 19475 B13R1.594 O=C(CO)CNCCSCC1CC1 cddd801e87b54fa7e477c7cd1f0b7046 [0,1,0,1,0,0|2,0,0]=4 19476 B13R1.594 O=C(CO)NCCCOCC1CC1 77141961d8531ce797a5e793e0ef7dd8 [0,1,0,1,0,0|2,0,0]=4 19477 B13R1.601 C#C[C@H]1C[C@H]1COCCCC(=O)O 1c8c022db42702f4f0f845e2d21b7891 [0,1,0,1,0,0|0,0,2]=4 19478 B13R1.601 CC(=O)CCCCN[C@@H]1C[C@H]1CO 41ed2d5d9d9ed52daea70a5c40e1c419 [0,1,0,1,0,0|2,0,0]=4 19479 B13R1.601 CC(=O)CCCCN[C@H]1C[C@@H]1CO 0aa730e203c7e3cd45e02703b8c555a9 [0,1,0,1,0,0|2,0,0]=4 19480 B13R1.601 CC(=O)CCCCN[C@H]1C[C@H]1CO 05cdb2310a878021f4be823d5529ddd9 [0,1,0,1,0,0|2,0,0]=4 19481 B13R1.601 CC(=O)CCCNCC1CC1CO f1efb9f27bac7d5c119cfcbaebed84c8 [0,1,0,1,0,0|2,0,0]=4 19482 B13R1.601 CO[C@H]1C[C@H]1NCCCCC(=O)C 810a47626210515e31840c2b2ed9bc03 [0,1,0,1,0,0|2,0,0]=4 19483 B13R1.601 CO[C@H]1C[C@H]1NCCCCC(=O)N b807189dfdf07374efc748aa8bda4628 [0,1,0,1,0,0|2,0,0]=4 19484 B13R1.601 CO[C@H]1C[C@H]1NCCCCC(=O)O 86d4cf0c93048b2b31a587ad7518d3f4 [0,1,0,1,0,0|1,0,0]=3 19485 B13R1.601 CO[C@H]1C[C@H]1NCCOCC(=O)O a5c4963c2aa8e0364fc367a5c779d67c [0,1,0,1,0,0|2,0,0]=4 19486 B13R1.601 NC(=O)CCCCN[C@@H]1C[C@H]1CO 0e44d400dc194fe49c65f552e9eaff3b [0,1,0,1,0,0|2,0,0]=4 19487 B13R1.601 NC(=O)CCCCN[C@H]1C[C@@H]1CO 2c8ecdd17c46369cda1d4dcf73108b63 [0,1,0,1,0,0|2,0,0]=4 19488 B13R1.601 NC(=O)CCCCN[C@H]1C[C@H]1CO f63731a8c1359d0366f8585b0ab1f184 [0,1,0,1,0,0|2,0,0]=4 19489 B13R1.601 NC(=O)CCCNCC1CC1CO 0a570cd6e7c1ae5f1638d895afc5a59d [0,1,0,1,0,0|2,0,0]=4 19490 B13R1.601 O=C(O)CCCCN[C@@H]1C[C@H]1CO 790cb8bc0f26ec6434a2075a09c0c97a [0,1,0,1,0,0|1,0,0]=3 19491 B13R1.601 O=C(O)CCCCN[C@H]1C[C@@H]1CO 5c629c57eb01ea964a3a75a0fd0f87f3 [0,1,0,1,0,0|1,0,0]=3 19492 B13R1.601 O=C(O)CCCCN[C@H]1C[C@H]1CO 981b747c40a09907678d5a39be153b25 [0,1,0,1,0,0|1,0,0]=3 19493 B13R1.601 O=C(O)CCCNCC1CC1CO d87df9e208238162c93917e39a76e035 [0,1,0,1,0,0|1,0,0]=3 19494 B13R1.601 O=C(O)COCCN[C@@H]1C[C@H]1CO 17985e734bc27fc82ea11716f35a9b10 [0,1,0,1,0,0|2,0,0]=4 19495 B13R1.601 O=C(O)COCCN[C@H]1C[C@@H]1CO 3b5f6d8c3b3edda7891a1080a02eb5c6 [0,1,0,1,0,0|2,0,0]=4 19496 B13R1.601 O=C(O)COCCN[C@H]1C[C@H]1CO 5ae3aa079a1635cb709226fd90b1eab2 [0,1,0,1,0,0|2,0,0]=4 19497 B13R1.601 O=CC1CC1NCCCCC(=O)O 616e7082f0fc9e99397dcd083cb50b4f [0,1,0,1,0,0|1,0,1]=4 19498 B13R1.601 O=CC1CC1OCCCCC(=O)O eef8290639ea2144a251353d9b8c1d6c [0,1,0,1,0,0|1,0,1]=4 19499 B13R1.643 CCC1CCCC(C1)OCC(=O)N 05d21e73b26c7d71f0e66c7f52121835 [0,1,0,1,0,0|2,0,0]=4 19500 B13R1.643 CCC1CCCC(C1)OCC(=O)O 208e5689a79d8b1ab148e8eed5161312 [0,1,0,1,0,0|1,0,0]=3 19501 B13R1.643 CCC1CCCN(C1)CCC(=O)C 75f73d31d437be101ca821cc22a20dff [0,1,0,1,0,0|2,0,0]=4 19502 B13R1.643 CCC1CCCN(C1)CCC(=O)N 92a82bf00e09e9d24e50c8575682c760 [0,1,0,1,0,0|2,0,0]=4 19503 B13R1.643 CCC1CCCN(C1)CCC(=O)O 2f02d53e5509045e4862a2d0d14d26d4 [0,1,0,1,0,0|1,0,0]=3 19504 B13R1.643 CCC1CN(CCO1)CCC(=O)O ed4b3d140636afbfa70fc18c3578466c [0,1,0,1,0,0|2,0,0]=4 19505 B13R1.643 CCN1CCCC(C1)CCC(=O)N 5cdd24b8fbbe2eaec3a342a0da44e63a [0,1,0,1,0,0|2,0,0]=4 19506 B13R1.643 CCN1CCCC(C1)NCC(=O)O 76f30428100fc9a3fb2d3f69ec730cd6 [0,1,0,1,0,0|2,0,0]=4 19507 B13R1.643 CCN1CCCC(C1)OCC(=O)O 2aea1650fc77feeaf64400a9cb01f4a6 [0,1,0,1,0,0|2,0,0]=4 19508 B13R1.643 CCN1CCC[C@@H](C1)NCC(=O)O 7a22ab4d06566c6c5ac85b7ef4e529c9 [0,1,0,1,0,0|2,0,0]=4 19509 B13R1.643 CCN1CCC[C@H](C1)NCC(=O)O 30d3288d6ce9229d8c764fff4517c6c9 [0,1,0,1,0,0|2,0,0]=4 19510 B13R1.643 CC[C@@H]1CN(CCO1)CCC(=O)O 768601de82b6c9eebd589bb7932f1152 [0,1,0,1,0,0|2,0,0]=4 19511 B13R1.643 CC[C@H]1CN(CCO1)CCC(=O)O 1c6b5d138be57a42475231838421c7e3 [0,1,0,1,0,0|2,0,0]=4 19512 B13R1.643 COC1CCCC(C1)NCC(=O)O 83010813f2af05e75158e43a6c3a28f9 [0,1,0,1,0,0|2,0,0]=4 19513 B13R1.643 COC1CCCC(C1)OCC(=O)O 42bad6a88ed132875185431d1c3a2f6e [0,1,0,1,0,0|2,0,0]=4 19514 B13R1.643 COC1CCCN(C1)CCC(=O)O deb419b607d51bbb2801444da6ba2109 [0,1,0,1,0,0|2,0,0]=4 19515 B13R1.643 CO[C@@H]1CCCN(C1)CCC(=O)O 6acc2a01c603fa897d3b4200801180b7 [0,1,0,1,0,0|2,0,0]=4 19516 B13R1.643 CO[C@@H]1CCC[C@@H](C1)NCC(=O)O 93f29d046ca25ad85155c535f2eec764 [0,1,0,1,0,0|2,0,0]=4 19517 B13R1.643 CO[C@@H]1CCC[C@@H](C1)OCC(=O)O 149e9e699f2d688fd6c41ee423fbcec5 [0,1,0,1,0,0|2,0,0]=4 19518 B13R1.643 CO[C@@H]1CCC[C@H](C1)NCC(=O)O aec5f07e4dde52b94cfe0e25051c5d5b [0,1,0,1,0,0|2,0,0]=4 19519 B13R1.643 CO[C@H]1CCCN(C1)CCC(=O)O 01f6671b929444c13cf3eaf1426209e1 [0,1,0,1,0,0|2,0,0]=4 19520 B13R1.643 CO[C@H]1CCC[C@@H](C1)NCC(=O)O 10ff305bcb8218f80fcd0214178263b2 [0,1,0,1,0,0|2,0,0]=4 19521 B13R1.643 CO[C@H]1CCC[C@@H](C1)OCC(=O)O e853e72e8a7893bae630d4634e5c63cf [0,1,0,1,0,0|2,0,0]=4 19522 B13R1.643 CO[C@H]1CCC[C@H](C1)NCC(=O)O 647ad9aa9850b144e5dcfb9d2b5f67bc [0,1,0,1,0,0|2,0,0]=4 19523 B13R1.643 O=C(O)CCN1CCCC(C1)CO b53f1067004f057902d6b378e10f51ed [0,1,0,1,0,0|2,0,0]=4 19524 B13R1.643 O=C(O)CCN1CCC[C@@H](C1)CO c8bfb3886c451cd12e8b7272ba336ca8 [0,1,0,1,0,0|2,0,0]=4 19525 B13R1.643 O=C(O)CCN1CCC[C@H](C1)CO ea464915092fba369b5c446f8e145275 [0,1,0,1,0,0|2,0,0]=4 19526 B13R1.643 O=C(O)CNC1CCCC(C1)CO 0fb46aaa4745f0c02ef521a16542d8ab [0,1,0,1,0,0|2,0,0]=4 19527 B13R1.643 O=C(O)CN[C@@H]1CCC[C@@H](C1)CO 8ac999329dbc3e9bed4090d452ac06cb [0,1,0,1,0,0|2,0,0]=4 19528 B13R1.643 O=C(O)CN[C@@H]1CCC[C@H](C1)CO 2efbbe799e80a5f118d16b5760487442 [0,1,0,1,0,0|2,0,0]=4 19529 B13R1.643 O=C(O)CN[C@H]1CCC[C@@H](C1)CO 90bee089d2032da06d4ac000b2003e5e [0,1,0,1,0,0|2,0,0]=4 19530 B13R1.643 O=C(O)CN[C@H]1CCC[C@H](C1)CO 1677e6d6722011fec4a1b60fbe551072 [0,1,0,1,0,0|2,0,0]=4 19531 B13R1.717 C=C(CC)COCC1CCC(=O)O1 41eb5aac24e7fb5b0e226703b70fe2b4 [0,1,0,1,0,0|1,0,1]=4 19532 B13R1.717 C=C(CC)COC[C@@H]1CCC(=O)O1 c5d363e3c009a4a8775e47876875ec2d [0,1,0,1,0,0|1,0,1]=4 19533 B13R1.717 C=C(CC)COC[C@H]1CCC(=O)O1 865f0d737b5a3b503be0a7b4a83e14f5 [0,1,0,1,0,0|1,0,1]=4 19534 B13R1.717 CC(CO)CNCC1CCC(=O)O1 0b9568c36d0ca631c9e1a9020263dbd6 [0,1,0,1,0,0|2,0,0]=4 19535 B13R1.717 CCC(=O)COCC1CCC(=O)O1 81e95cc18d4e786793823310f850aaa3 [0,1,0,1,0,0|1,0,1]=4 19536 B13R1.717 CCC(=O)COC[C@@H]1CCC(=O)O1 06279b4e072aff2afd9a9904041c0a75 [0,1,0,1,0,0|1,0,1]=4 19537 B13R1.717 CCC(=O)COC[C@H]1CCC(=O)O1 00c9e372129e8f11d37480259e2aaca2 [0,1,0,1,0,0|1,0,1]=4 19538 B13R1.717 CCC(C)CCOC1CCC(=O)C1 b22776e2785e7d8eda184fe11f41244e [0,1,0,1,0,0|2,0,0]=4 19539 B13R1.717 CCC(C)CNCC1CCC(=O)N1 48244679a409f0ccf5ebee7f2f9c0f8d [0,1,0,1,0,0|2,0,0]=4 19540 B13R1.717 CCC(C)CNCC1CCC(=O)O1 5cde5d68f7741b7a64d297eb3e80daa0 [0,1,0,1,0,0|1,0,0]=3 19541 B13R1.717 CCC(C)CNC[C@@H]1CCC(=O)N1 972930034e9a79c0b382423a9d946131 [0,1,0,1,0,0|2,0,0]=4 19542 B13R1.717 CCC(C)CNC[C@H]1CCC(=O)N1 6f2f8327dfe089da943094d37409a658 [0,1,0,1,0,0|2,0,0]=4 19543 B13R1.717 CCC(C)COCC1CCC(=O)C1 078e3317f369042abe54aae60294ff4d [0,1,0,1,0,0|2,0,0]=4 19544 B13R1.717 CCC(C)COCC1CCC(=O)N1 d58a9c3ce019a2343f5ffb0d343bc3cf [0,1,0,1,0,0|2,0,0]=4 19545 B13R1.717 CCC(C)COCC1CCC(=O)O1 040d9219e99c23713cc2a0ebb0904898 [0,1,0,1,0,0|1,0,0]=3 19546 B13R1.717 CCC(C)COC[C@@H]1CCC(=O)C1 056bb166c30074e6fc8878181fabc83c [0,1,0,1,0,0|2,0,0]=4 19547 B13R1.717 CCC(C)COC[C@@H]1CCC(=O)N1 85b50d2f99adbeb51c8a20880ee01007 [0,1,0,1,0,0|2,0,0]=4 19548 B13R1.717 CCC(C)COC[C@@H]1CCC(=O)O1 bde3d67b5608d549ee39a5166459aa02 [0,1,0,1,0,0|1,0,0]=3 19549 B13R1.717 CCC(C)COC[C@H]1CCC(=O)N1 a80d8de3e486b2137c68c36934bb2172 [0,1,0,1,0,0|2,0,0]=4 19550 B13R1.717 CCC(C)COC[C@H]1CCC(=O)O1 b6a0ad8c436b9f50d99cc0c56bdaca13 [0,1,0,1,0,0|1,0,0]=3 19551 B13R1.717 CCC(C)OCC[C@@H]1CCC(=O)N1 dcb878665635350b45ffd769c72d4494 [0,1,0,1,0,0|2,0,0]=4 19552 B13R1.717 CCC(O)CNCC1CCC(=O)N1 34bc6b4d3c91e5291cf3213a24446a9d [0,1,0,1,0,0|2,0,0]=4 19553 B13R1.717 CCC(O)CNCC1CCC(=O)O1 81e4c1d7a729d11078d03ac95a9fb0c4 [0,1,0,1,0,0|1,0,0]=3 19554 B13R1.717 CCC(O)CNC[C@@H]1CCC(=O)N1 e4e75f1d59e125c254e09e577bc19893 [0,1,0,1,0,0|2,0,0]=4 19555 B13R1.717 CCC(O)CNC[C@H]1CCC(=O)N1 6aa3fbaeb0d9ccde27289dcdd07cca3c [0,1,0,1,0,0|2,0,0]=4 19556 B13R1.717 CC[C@@H](C)CNCC1CCC(=O)N1 2071d344b64d1596a7964501d6571921 [0,1,0,1,0,0|2,0,0]=4 19557 B13R1.717 CC[C@@H](C)CNC[C@@H]1CCC(=O)N1 f18da8976e7495b2520c33eeb5b938a4 [0,1,0,1,0,0|2,0,0]=4 19558 B13R1.717 CC[C@@H](C)CNC[C@H]1CCC(=O)N1 c756a0dedd0e01c791798a8f6ae32a00 [0,1,0,1,0,0|2,0,0]=4 19559 B13R1.717 CC[C@@H](C)COCC1CCC(=O)C1 e736263d92fee481e8b739fe02f37785 [0,1,0,1,0,0|2,0,0]=4 19560 B13R1.717 CC[C@@H](C)COCC1CCC(=O)N1 38875535fca665a816420a0dcfcc6b48 [0,1,0,1,0,0|2,0,0]=4 19561 B13R1.717 CC[C@@H](C)COCC1CCC(=O)O1 42d4a5bb95a22e7363af10d50a7fedfc [0,1,0,1,0,0|1,0,0]=3 19562 B13R1.717 CC[C@@H](C)COC[C@@H]1CCC(=O)C1 019e297121de5e4632ba8d1deb09e6f9 [0,1,0,1,0,0|2,0,0]=4 19563 B13R1.717 CC[C@@H](C)COC[C@@H]1CCC(=O)N1 cb72bc760e666ad15bdec7c1ebc577c9 [0,1,0,1,0,0|2,0,0]=4 19564 B13R1.717 CC[C@@H](C)COC[C@@H]1CCC(=O)O1 9fc1bc2fd9ff3429cb6d3d35f1e03090 [0,1,0,1,0,0|1,0,0]=3 19565 B13R1.717 CC[C@@H](C)COC[C@H]1CCC(=O)N1 ad31ed0b3ce69fe97acd9c81f70df40d [0,1,0,1,0,0|2,0,0]=4 19566 B13R1.717 CC[C@@H](C)COC[C@H]1CCC(=O)O1 7cf40c9ea225a028ae9c9c2c3ec59c78 [0,1,0,1,0,0|1,0,0]=3 19567 B13R1.717 CC[C@@H](O)CNCC1CCC(=O)N1 8cf694e11119e350c84fbb217c10b6cb [0,1,0,1,0,0|2,0,0]=4 19568 B13R1.717 CC[C@@H](O)CNCC1CCC(=O)O1 ef216bb1c040e6b901d978aea06e3764 [0,1,0,1,0,0|1,0,0]=3 19569 B13R1.717 CC[C@@H](O)CNC[C@@H]1CCC(=O)N1 7928d8f266c915cc78f83aa0d20a849e [0,1,0,1,0,0|2,0,0]=4 19570 B13R1.717 CC[C@@H](O)CNC[C@H]1CCC(=O)N1 eae5753e8d9100b3294263ac873d7687 [0,1,0,1,0,0|2,0,0]=4 19571 B13R1.717 CC[C@H](C)CNCC1CCC(=O)N1 7e40af1fed859f8a386596b6d1007a0e [0,1,0,1,0,0|2,0,0]=4 19572 B13R1.717 CC[C@H](C)CNCC1CCC(=O)O1 54875e677ce3e8d1e824b408338ac10f [0,1,0,1,0,0|1,0,0]=3 19573 B13R1.717 CC[C@H](C)CNC[C@@H]1CCC(=O)N1 3a5a48a98021752607df814faecfe37a [0,1,0,1,0,0|2,0,0]=4 19574 B13R1.717 CC[C@H](C)CNC[C@H]1CCC(=O)N1 8b1d6322dcc498da8ccb6e0724002b50 [0,1,0,1,0,0|2,0,0]=4 19575 B13R1.717 CC[C@H](C)COCC1CCC(=O)C1 b58946788dd4795a3a923b647756554b [0,1,0,1,0,0|2,0,0]=4 19576 B13R1.717 CC[C@H](C)COCC1CCC(=O)N1 943b747c5895f3aba37007381ce35879 [0,1,0,1,0,0|2,0,0]=4 19577 B13R1.717 CC[C@H](C)COCC1CCC(=O)O1 9d8917ead1bb3ef5ba91d4679e36605e [0,1,0,1,0,0|1,0,0]=3 19578 B13R1.717 CC[C@H](C)COC[C@@H]1CCC(=O)C1 d0d6c5d773fb77f6a29bf2c3d9190b1a [0,1,0,1,0,0|2,0,0]=4 19579 B13R1.717 CC[C@H](C)COC[C@@H]1CCC(=O)N1 098c5b059fcdee1154334788e6c5fde1 [0,1,0,1,0,0|2,0,0]=4 19580 B13R1.717 CC[C@H](C)COC[C@@H]1CCC(=O)O1 920388410004d342335291cd7f0320d1 [0,1,0,1,0,0|1,0,0]=3 19581 B13R1.717 CC[C@H](C)COC[C@H]1CCC(=O)N1 07e7e8326940de8501c74e81c54c04ea [0,1,0,1,0,0|2,0,0]=4 19582 B13R1.717 CC[C@H](C)COC[C@H]1CCC(=O)O1 e0d94fcd8356523eb2990f0f2fea8b66 [0,1,0,1,0,0|1,0,0]=3 19583 B13R1.717 COC(C)COCC1CCC(=O)O1 e511ba95e9f8ec0b33bd6211183abace [0,1,0,1,0,0|2,0,0]=4 19584 B13R1.717 COC(C)COC[C@@H]1CCC(=O)O1 8db4e44c6dbb05e65cfb69101243e4e3 [0,1,0,1,0,0|2,0,0]=4 19585 B13R1.717 COC(C)COC[C@H]1CCC(=O)O1 d08b96f017db5bb38e6d8ad43454787f [0,1,0,1,0,0|2,0,0]=4 19586 B13R1.717 CO[C@@H](C)CNCC1CCC(=O)O1 d75b2054fe4e011ac31a4ac66b39b3e6 [0,1,0,1,0,0|2,0,0]=4 19587 B13R1.717 CO[C@@H](C)COCC1CCC(=O)O1 bba76cf3db12524092e842cb9a45d32b [0,1,0,1,0,0|2,0,0]=4 19588 B13R1.717 CO[C@@H](C)COC[C@@H]1CCC(=O)O1 0f6722065cd66241150c6eebda8e6588 [0,1,0,1,0,0|2,0,0]=4 19589 B13R1.717 CO[C@@H](C)COC[C@H]1CCC(=O)O1 84c681758c160f885df544af51c22f01 [0,1,0,1,0,0|2,0,0]=4 19590 B13R1.717 CO[C@H](C)CNCC1CCC(=O)O1 a4e2ce4d72bdba9c1bcb1bf9f7cb05f5 [0,1,0,1,0,0|2,0,0]=4 19591 B13R1.717 CO[C@H](C)COCC1CCC(=O)O1 03d824b785b007a762ab84a39b5dcedf [0,1,0,1,0,0|2,0,0]=4 19592 B13R1.717 CO[C@H](C)COC[C@@H]1CCC(=O)O1 40684f52c3253533c97091174952dc46 [0,1,0,1,0,0|2,0,0]=4 19593 B13R1.717 CO[C@H](C)COC[C@H]1CCC(=O)O1 14f824009aef47b83e7a04adbb38da5a [0,1,0,1,0,0|2,0,0]=4 19594 B13R1.717 C[C@H](CO)CNCC1CCC(=O)O1 359abc3913255ef93aa0899ec42b3f55 [0,1,0,1,0,0|2,0,0]=4 19595 B13R1.717 O=C1CCC(O1)CNCC(Br)CBr b1ce2c4b44c7210fb2aee43ba8eca97f [0,1,0,1,0,0|2,0,0]=4 19596 B13R1.717 O=C1CCC(O1)CNCC(F)CO b50ecd5f59c958b23ccbc272732c927f [0,1,0,1,0,0|2,0,0]=4 19597 B13R1.717 O=C1CCC(O1)CNCC(O)CO 7d565111dedb0c7f9da8fe4ef035f62c [0,1,0,1,0,0|2,0,0]=4 19598 B13R1.717 O=C1CCC(O1)CNC[C@@H](F)CO 80e851079a7496d6bc8855af702f8a62 [0,1,0,1,0,0|2,0,0]=4 19599 B13R1.717 O=C1CCC(O1)CNC[C@@H](O)CO 7ad8a23e7eaae0ff5159794063b57390 [0,1,0,1,0,0|2,0,0]=4 19600 B13R1.717 O=C1CCC(O1)CNC[C@H](F)CO 2724e31e799d21d347e2557c2f626411 [0,1,0,1,0,0|2,0,0]=4 19601 B13R1.717 O=C1CCC(O1)CNC[C@H](O)CO d296d8346c3b9efe294f5562f27515ac [0,1,0,1,0,0|2,0,0]=4 19602 B13R1.717 O=C1CCC(O1)COCC(Br)CBr a89e1873f261033ec5fbe04e889dffc1 [0,1,0,1,0,0|2,0,0]=4 19603 B13R1.717 O=C1CCC(O1)COCC(Cl)CCl 75c3db2f2e2bec43a666ab47d4175bfc [0,1,0,1,0,0|2,0,0]=4 19604 B13R1.717 O=C1CCC(O1)COCC(O)CO d029e8376968a1a63457267053752bc6 [0,1,0,1,0,0|2,0,0]=4 19605 B13R1.717 O=C1CCC(O1)COCC(S)CS a9e4529c4b84af92dd75c86c4e06445c [0,1,0,1,0,0|2,0,0]=4 19606 B13R1.717 O=C1CCC(O1)COC[C@@H](O)CO 6105c984921bfc71e584b01fc47a9680 [0,1,0,1,0,0|2,0,0]=4 19607 B13R1.717 O=C1CCC(O1)COC[C@H](O)CO 007d9b0a526b983e2b926ecc697e963c [0,1,0,1,0,0|2,0,0]=4 19608 B13R1.717 O=C1CC[C@@H](O1)COCC(O)CO 213cba35483e31d53987bc1313d36999 [0,1,0,1,0,0|2,0,0]=4 19609 B13R1.717 O=C1CC[C@@H](O1)COC[C@@H](O)CO 8df29410aa502ae53a2e1baf7e146b64 [0,1,0,1,0,0|2,0,0]=4 19610 B13R1.717 O=C1CC[C@@H](O1)COC[C@H](O)CO 004f9f1691d1ce10df63758b52566ee0 [0,1,0,1,0,0|2,0,0]=4 19611 B13R1.717 O=C1CC[C@H](O1)COCC(O)CO ad0ccbe922b3cd19ce35c36e1bcbd0c2 [0,1,0,1,0,0|2,0,0]=4 19612 B13R1.717 O=C1CC[C@H](O1)COC[C@@H](O)CO b3bfb507da6f538cc5f59c8ce1c0a01d [0,1,0,1,0,0|2,0,0]=4 19613 B13R1.717 O=C1CC[C@H](O1)COC[C@H](O)CO 65fddcc22923a54e893e345e7e86f14e [0,1,0,1,0,0|2,0,0]=4 19614 B13R1.1067 CC(=O)CCCCCNC1(CC1)C 6c243660979655d5b8f8eec0bd26c3ff [0,1,0,1,0,0|2,0,0]=4 19615 B13R1.1067 CC(=O)CCCCNCC1(CC1)F 642670508396b7e34e215976b1ccdcfa [0,1,0,1,0,0|2,0,0]=4 19616 B13R1.1067 CC(=O)CCCCNCC1(CC1)O 1071cd96fb575b66f65c440d8d7ffefe [0,1,0,1,0,0|2,0,0]=4 19617 B13R1.1067 CC(=O)CCCCOCC1(CC1)Br 01042b611d3417e37414860a9b4bcdf7 [0,1,0,1,0,0|2,0,0]=4 19618 B13R1.1067 CC(=O)CCCCOCC1(CC1)C ac3989118a0180f280cf9d690c482e73 [0,1,0,1,0,0|2,0,0]=4 19619 B13R1.1067 CC(=O)CCCCOCC1(CC1)Cl 6d00d2bba4be1dfdc8730c397fa890d1 [0,1,0,1,0,0|2,0,0]=4 19620 B13R1.1067 CC(=O)CCCCOCC1(CC1)F c59e9b363d9049ab41dd98447b34debd [0,1,0,1,0,0|2,0,0]=4 19621 B13R1.1067 CC(=O)CCCNCCC1(CC1)O 49879dcba802e159d5167327b5909da5 [0,1,0,1,0,0|2,0,0]=4 19622 B13R1.1067 CC(=O)CCCOCCC1(CC1)C c58103345bd7496941bea32621be9029 [0,1,0,1,0,0|2,0,0]=4 19623 B13R1.1067 CC1(CC1)CCOCCCC(=O)N 41c9a1502605828c8a430c2ed263eda7 [0,1,0,1,0,0|2,0,0]=4 19624 B13R1.1067 CC1(CC1)CNCCCCC(=O)N b98680ea3690cac0ae7439418fa2d539 [0,1,0,1,0,0|2,0,0]=4 19625 B13R1.1067 CC1(CC1)CNCCCCC(=O)O 7d447c38bde812fd9f76182a4550ca4b [0,1,0,1,0,0|1,0,0]=3 19626 B13R1.1067 CC1(CC1)CNCCOCC(=O)O 8146f4a536375ed569d4872f9ceff552 [0,1,0,1,0,0|2,0,0]=4 19627 B13R1.1067 CC1(CC1)CNCCSCC(=O)O 7de37aa160f7293df13a2ccc201f6314 [0,1,0,1,0,0|2,0,0]=4 19628 B13R1.1067 CC1(CC1)COCCCCC(=O)N 2371802a971abba542c8bb80c7e1c9cf [0,1,0,1,0,0|2,0,0]=4 19629 B13R1.1067 CC1(CC1)COCCCCC(=O)O f816c2bf59e218a809aae58fec8988e6 [0,1,0,1,0,0|1,0,0]=3 19630 B13R1.1067 CC1(CC1)COCCOCC(=O)O 71d17e3f59f0b9e9a615a69116dd2591 [0,1,0,1,0,0|2,0,0]=4 19631 B13R1.1067 CC1(CC1)NCCCCCC(=O)N 6007e21e0992b7809514677929b3dbaa [0,1,0,1,0,0|2,0,0]=4 19632 B13R1.1067 CC1(CC1)NCCCCCC(=O)O 36335808b6375423e49bfb70d5bdaaa2 [0,1,0,1,0,0|1,0,0]=3 19633 B13R1.1067 CC1(CC1)NCCCOCC(=O)O 2bb377cbee4f50170b6a44e4c6bae7d0 [0,1,0,1,0,0|2,0,0]=4 19634 B13R1.1067 CC1(CC1)NCCOCCC(=O)O 21ffea4e6e7d913815c4df08ad8eecd1 [0,1,0,1,0,0|2,0,0]=4 19635 B13R1.1067 NC(=O)CCCCNCC1(CC1)F af4c68256460ae0ee6e7fdb0d9f7a8c1 [0,1,0,1,0,0|2,0,0]=4 19636 B13R1.1067 NC(=O)CCCCNCC1(CC1)O 472e51d3d4919cf338df27b55efc8c6b [0,1,0,1,0,0|2,0,0]=4 19637 B13R1.1067 NC(=O)CCCCOCC1(CC1)Br 6abed90c8fd1cce8f317e9a587d97634 [0,1,0,1,0,0|2,0,0]=4 19638 B13R1.1067 NC(=O)CCCCOCC1(CC1)Cl 3dead43b04c683fa8ee1ccbeb635ae34 [0,1,0,1,0,0|2,0,0]=4 19639 B13R1.1067 NC(=O)CCCCOCC1(CC1)F a7c47c1a2ac2e2340fd80c7d8640aafe [0,1,0,1,0,0|2,0,0]=4 19640 B13R1.1067 NC(=O)CCCNCCC1(CC1)O ba1f0ffd5b327088040a64b2481e4aa1 [0,1,0,1,0,0|2,0,0]=4 19641 B13R1.1067 O=C(O)CCCCNCC1(CC1)F cfb7bfa4e7bcdf1c9c098a83a78afcaa [0,1,0,1,0,0|1,0,0]=3 19642 B13R1.1067 O=C(O)CCCCNCC1(CC1)O a6a94b6e81510c967f504ad060767b51 [0,1,0,1,0,0|1,0,0]=3 19643 B13R1.1067 O=C(O)CCCCOCC1(CC1)Cl 87e26778638626d5ac4c05bbd9e27d0f [0,1,0,1,0,0|1,0,0]=3 19644 B13R1.1067 O=C(O)CCCCOCC1(CC1)F 0bac741067413f4cc254c5b80632bd1b [0,1,0,1,0,0|1,0,0]=3 19645 B13R1.1067 O=C(O)COCCNCC1(CC1)F 53aa0bb6a8369969573abea84ac2ab59 [0,1,0,1,0,0|2,0,0]=4 19646 B13R1.1067 O=C(O)COCCOCC1(CC1)Br 136e8c9640db8cf5e51c573b4e7fa675 [0,1,0,1,0,0|2,0,0]=4 19647 B13R1.1067 O=C(O)COCCOCC1(CC1)Cl 6f20827871e94fec6340608007922213 [0,1,0,1,0,0|2,0,0]=4 19648 B13R1.1067 O=C(O)COCCOCC1(CC1)F 5c8ec928cb9c9776d6720d42e1e0a2b8 [0,1,0,1,0,0|2,0,0]=4 19649 B13R1.1067 O=C(O)CSCCNCC1(CC1)F 0440c66505e53475977d43d89a82e2cc [0,1,0,1,0,0|2,0,0]=4 19650 B13R1.1701 C=C(CC)CN1CCC1CC(=O)O 56c6cf952b5c2c1bec650fbf58d3b5f1 [0,1,0,1,0,0|1,0,1]=4 19651 B13R1.1701 CC(CO)CN1CCC1CC(=O)O 1ab973a6a633840ef44a3103a189c6ea [0,1,0,1,0,0|2,0,0]=4 19652 B13R1.1701 CCC(=O)CN1CCC1CC(=O)O ec705033861e43016fa70e1d6bfeffc3 [0,1,0,1,0,0|1,0,1]=4 19653 B13R1.1701 CCC(C)CN1CCC1CC(=O)O 490c1712496c34c13214a6b95c06a3aa [0,1,0,1,0,0|1,0,0]=3 19654 B13R1.1701 CCC(O)CN1CCC1CC(=O)O fdd946c6bae3a95f4b3bb2d35717d581 [0,1,0,1,0,0|1,0,0]=3 19655 B13R1.1701 CC[C@@H](C)CN1CCC1CC(=O)O 3352a5ad0d291ebe2fe21ea11900045c [0,1,0,1,0,0|1,0,0]=3 19656 B13R1.1701 CC[C@H](C)CN1CCC1CC(=O)O c7eecd1a624222b8925b11a068c09adc [0,1,0,1,0,0|1,0,0]=3 19657 B13R1.1701 COC(C)CN1CCC1CC(=O)O 8d441a0c0a175dce26f68a7b8c94a29c [0,1,0,1,0,0|2,0,0]=4 19658 B13R1.1701 CO[C@@H](C)CN1CCC1CC(=O)O 31c61a8c0a64f31f48044b1c1e4df3e2 [0,1,0,1,0,0|2,0,0]=4 19659 B13R1.1701 CO[C@H](C)CN1CCC1CC(=O)O cc70fc68111348fcd04c76f3f178c29e [0,1,0,1,0,0|2,0,0]=4 19660 B13R1.1701 C[C@@H](CO)CN1CCC1CC(=O)O a5f39c6362aee3b929ebb1f1b609df81 [0,1,0,1,0,0|2,0,0]=4 19661 B13R1.1701 C[C@H](CO)CN1CCC1CC(=O)O bd8b462d8e6460038e8840446dfb090a [0,1,0,1,0,0|2,0,0]=4 19662 B13R1.1701 O=C(O)CC1CCN1CC(O)CF 7650146c6554c361e5d11b7bbff9ed35 [0,1,0,1,0,0|2,0,0]=4 19663 B13R1.1701 O=C(O)CC1CCN1CC(O)CO bd711ac85f3d71192f39e95bd28c9393 [0,1,0,1,0,0|2,0,0]=4 19664 B13R1.1701 O=C(O)CC1CCN1C[C@@H](O)CO b946a3a4d857a9f0b6a1a9d3e0202497 [0,1,0,1,0,0|2,0,0]=4 19665 B13R1.1701 O=C(O)CC1CCN1C[C@H](O)CO 4344e7b2f8cf76fc45655b6040051596 [0,1,0,1,0,0|2,0,0]=4 19666 B13R1.1721 C=C(CC)CN[C@H]1CC[C@H]1C(=O)O 0b5e523f7f4530a25d8838a90dac73fa [0,1,0,1,0,0|1,0,1]=4 19667 B13R1.1721 C=C(CC)COC1CCC1C(=O)O 05c5c377f85cbea54a5a440154df45fc [0,1,0,1,0,0|1,0,1]=4 19668 B13R1.1721 C=C(CC)CO[C@H]1CC[C@@H]1C(=O)O 89bf5ec0b16071d839569f58c723db5b [0,1,0,1,0,0|1,0,1]=4 19669 B13R1.1721 CC(CO)CCN1CCC1C(=O)O 7e8a324ca180a677f5d84a18d1336672 [0,1,0,1,0,0|2,0,0]=4 19670 B13R1.1721 CC(CO)CCN1CC[C@@H]1C(=O)O d70556f82e992b42ab5388f08f8714c6 [0,1,0,1,0,0|2,0,0]=4 19671 B13R1.1721 CC(CO)CCN1CC[C@H]1C(=O)O a4f278705685c948bc425f3d036f0d9f [0,1,0,1,0,0|2,0,0]=4 19672 B13R1.1721 CC(CO)CN[C@H]1CC[C@H]1C(=O)O f590bb55465b64afffaa306bd6560c3b [0,1,0,1,0,0|2,0,0]=4 19673 B13R1.1721 CCC(=O)CN[C@H]1CC[C@H]1C(=O)O 2780f0a6c13b81c94d0426b72f837fe1 [0,1,0,1,0,0|1,0,1]=4 19674 B13R1.1721 CCC(=O)COC1CCC1C(=O)O 180b0aa1faf7b068203839def6382d4d [0,1,0,1,0,0|1,0,1]=4 19675 B13R1.1721 CCC(=O)CO[C@H]1CC[C@@H]1C(=O)O e9d451d8cb6edb8e4285601f4f9d7538 [0,1,0,1,0,0|1,0,1]=4 19676 B13R1.1721 CCC(C)CCN1CCC1C(=O)N 0bbe21e9aad2e227a546d00d6a07a4e7 [0,1,0,1,0,0|2,0,0]=4 19677 B13R1.1721 CCC(C)CCN1CCC1C(=O)O a16a46cfbcf32d86d908ca1f3daaf3a0 [0,1,0,1,0,0|1,0,0]=3 19678 B13R1.1721 CCC(C)CCN1CC[C@@H]1C(=O)N 1231c319f86e58b7babbdcbe83f43bed [0,1,0,1,0,0|2,0,0]=4 19679 B13R1.1721 CCC(C)CCN1CC[C@@H]1C(=O)O 0e45ffbd39d414be0c1e0c6d97b5a1c7 [0,1,0,1,0,0|1,0,0]=3 19680 B13R1.1721 CCC(C)CCN1CC[C@H]1C(=O)N 82739e992520344ec0450dac08024fce [0,1,0,1,0,0|2,0,0]=4 19681 B13R1.1721 CCC(C)CCN1CC[C@H]1C(=O)O cd565366ce9b3e25e59ba1a695bad976 [0,1,0,1,0,0|1,0,0]=3 19682 B13R1.1721 CCC(C)CN[C@H]1CC[C@H]1C(=O)O 83fd3f2c6e4c95cb08a1d640cddf50a3 [0,1,0,1,0,0|1,0,0]=3 19683 B13R1.1721 CCC(C)COC1CCC1C(=O)O 54aa60f10bea207aa28dd224ed2c1a55 [0,1,0,1,0,0|1,0,0]=3 19684 B13R1.1721 CCC(C)CO[C@H]1CC[C@@H]1C(=O)O 5446e20ab414a610d7d4572781d74604 [0,1,0,1,0,0|1,0,0]=3 19685 B13R1.1721 CCC(O)CN[C@H]1CC[C@H]1C(=O)O 5e7d82e177f9b67c21c2fdbbaa2b0e56 [0,1,0,1,0,0|1,0,0]=3 19686 B13R1.1721 CCS(=O)CCN1CCC1C(=O)O 6c5fe60a197bf276f47c9563b067f555 [0,1,0,1,0,0|2,0,0]=4 19687 B13R1.1721 CCS(=O)CCN1CC[C@@H]1C(=O)O 5f3c9c946c5c6865322a2bf89ea71fed [0,1,0,1,0,0|2,0,0]=4 19688 B13R1.1721 CCS(=O)CCN1CC[C@H]1C(=O)O d08339c2dfb4b24d595e885fd47fe1b5 [0,1,0,1,0,0|2,0,0]=4 19689 B13R1.1721 CC[C@@H](C)CN[C@H]1CC[C@H]1C(=O)O ff529ffa8a854ba68712315732283c9c [0,1,0,1,0,0|1,0,0]=3 19690 B13R1.1721 CC[C@@H](C)COC1CCC1C(=O)O e06b64201e59aa304394745621cdecc0 [0,1,0,1,0,0|1,0,0]=3 19691 B13R1.1721 CC[C@@H](C)CO[C@H]1CC[C@@H]1C(=O)O f3688b1a6d4e46a7fced134640184490 [0,1,0,1,0,0|1,0,0]=3 19692 B13R1.1721 CC[C@H](C)CN[C@H]1CC[C@H]1C(=O)O 32ca4942bcb10f73d4aee393945a1eb2 [0,1,0,1,0,0|1,0,0]=3 19693 B13R1.1721 CC[C@H](C)COC1CCC1C(=O)O f7a73254a8b968009a3165e841097818 [0,1,0,1,0,0|1,0,0]=3 19694 B13R1.1721 CC[C@H](C)CO[C@H]1CC[C@@H]1C(=O)O ed11177759c7dd91cf88f577791bfeb1 [0,1,0,1,0,0|1,0,0]=3 19695 B13R1.1721 COC(C)CN[C@H]1CC[C@H]1C(=O)O a83f06d2d68055c8770d09bf40b3cb6c [0,1,0,1,0,0|2,0,0]=4 19696 B13R1.1721 COC(C)COC1CCC1C(=O)O 57602d0e2bad46211861152be9aca49b [0,1,0,1,0,0|2,0,0]=4 19697 B13R1.1721 COC(C)CO[C@H]1CC[C@@H]1C(=O)O 2a1add3709b3d6c50e901e57994b8627 [0,1,0,1,0,0|2,0,0]=4 19698 B13R1.1721 CO[C@@H](C)CN[C@H]1CC[C@H]1C(=O)O ac1576ca4ca8c280c75a4b4f34936973 [0,1,0,1,0,0|2,0,0]=4 19699 B13R1.1721 CO[C@@H](C)COC1CCC1C(=O)O 8ef751ffc68e5223645cceff64006fe0 [0,1,0,1,0,0|2,0,0]=4 19700 B13R1.1721 CO[C@@H](C)CO[C@H]1CC[C@@H]1C(=O)O ffde4d1671799de77a9524caaf735b00 [0,1,0,1,0,0|2,0,0]=4 19701 B13R1.1721 CO[C@H](C)CN[C@H]1CC[C@H]1C(=O)O c56cb1ed78aeeef5b178caac550fa291 [0,1,0,1,0,0|2,0,0]=4 19702 B13R1.1721 CO[C@H](C)COC1CCC1C(=O)O 79ce7b89b89bd7ba0670c1b0a7fd4bcf [0,1,0,1,0,0|2,0,0]=4 19703 B13R1.1721 CO[C@H](C)CO[C@H]1CC[C@@H]1C(=O)O 8d438ade9fba6763d5d774c2a1f391b0 [0,1,0,1,0,0|2,0,0]=4 19704 B13R1.1721 C[C@@H](CO)CN[C@H]1CC[C@H]1C(=O)O af82d77aeb7720d940ff24472b9f6797 [0,1,0,1,0,0|2,0,0]=4 19705 B13R1.1721 C[C@H](CO)CN[C@H]1CC[C@H]1C(=O)O 1d4f1eaa2dddaf73dd83935ef3ef4ea2 [0,1,0,1,0,0|2,0,0]=4 19706 B13R1.1721 O=C(O)C1CCC1OCC(O)CO de16f0b516ffbfd27f1e08a1d19b07ca [0,1,0,1,0,0|2,0,0]=4 19707 B13R1.1721 O=C(O)C1CCC1OC[C@@H](O)CO fe4c450bddb7c0c66ed3f62c0b27102e [0,1,0,1,0,0|2,0,0]=4 19708 B13R1.1721 O=C(O)C1CCC1OC[C@H](O)CO e53c0ea7ae933a203061c0a63611c2b5 [0,1,0,1,0,0|2,0,0]=4 19709 B13R1.1721 O=C(O)[C@@H]1CC[C@@H]1NCC(O)CF 496cc0f33794d5ba385924b42ee227c3 [0,1,0,1,0,0|2,0,0]=4 19710 B13R1.1721 O=C(O)[C@@H]1CC[C@@H]1NCC(O)CO a9d3c249415236a34fd7c38d05de28e8 [0,1,0,1,0,0|2,0,0]=4 19711 B13R1.1721 O=C(O)[C@@H]1CC[C@@H]1NC[C@@H](O)CO bb2f0a7f731bdb33754e5e6662db7c0e [0,1,0,1,0,0|2,0,0]=4 19712 B13R1.1721 O=C(O)[C@@H]1CC[C@@H]1NC[C@H](O)CO d82f1d623cf4a4c068d623e076363a5e [0,1,0,1,0,0|2,0,0]=4 19713 B13R1.1721 O=C(O)[C@H]1CC[C@@H]1OCC(O)CO 8dcd34cf5c3d4f94691bccb89e5e1cad [0,1,0,1,0,0|2,0,0]=4 19714 B13R1.1721 O=C(O)[C@H]1CC[C@@H]1OC[C@@H](O)CO 55f08ae47c14d315f6d6ed2a0ac082c9 [0,1,0,1,0,0|2,0,0]=4 19715 B13R1.1721 O=C(O)[C@H]1CC[C@@H]1OC[C@H](O)CO b67239a0d9200a708daa4d45e4b603c0 [0,1,0,1,0,0|2,0,0]=4 19716 B13R1.2059 C=C(CC)CNC[C@@H]1C[C@H]1C(=O)O e5a85738c6f53a9ed5bd4dc8b59f64c8 [0,1,0,1,0,0|1,0,1]=4 19717 B13R1.2059 C=C(CC)COCC1CC1C(=O)O 009dd3583322442956aebcc83f0e2fc6 [0,1,0,1,0,0|1,0,1]=4 19718 B13R1.2059 C=C(CC)COC[C@@H]1C[C@H]1C(=O)O 0ca4224cee6081bfc50ebb42c4818ba1 [0,1,0,1,0,0|1,0,1]=4 19719 B13R1.2059 C=C(CC)COC[C@H]1C[C@@H]1C(=O)O 85ada5c98eb30d77ce8dd1c2c9cd37c3 [0,1,0,1,0,0|1,0,1]=4 19720 B13R1.2059 C=C(CC)COC[C@H]1C[C@H]1C(=O)O aada0e4ea3aa06e05698012586278621 [0,1,0,1,0,0|1,0,1]=4 19721 B13R1.2059 CC(CO)CCN[C@@H]1C[C@@H]1C(=O)O 8f58654e3735f212b0514848e65956cd [0,1,0,1,0,0|2,0,0]=4 19722 B13R1.2059 CC(CO)CCN[C@H]1C[C@@H]1C(=O)O 849ca4ff03c913af80922e7fa9f4c325 [0,1,0,1,0,0|2,0,0]=4 19723 B13R1.2059 CC(CO)CCN[C@H]1C[C@H]1C(=O)O b1c3f2c955280501d1f6afff8605f4e6 [0,1,0,1,0,0|2,0,0]=4 19724 B13R1.2059 CC(CO)CNCC1CC1C(=O)O 8330c00cc3d250b47794c868cbdf1e45 [0,1,0,1,0,0|2,0,0]=4 19725 B13R1.2059 CC(CO)CNC[C@@H]1C[C@H]1C(=O)O 2fdbbe8300769a8b22d1db3f4273b81b [0,1,0,1,0,0|2,0,0]=4 19726 B13R1.2059 CCC(=O)CNC[C@@H]1C[C@H]1C(=O)O 1611806130a440b5f3be7edf02fba0dc [0,1,0,1,0,0|1,0,1]=4 19727 B13R1.2059 CCC(=O)COCC1CC1C(=O)O fb22ce4b4557134d3360cb3e1bf1e40b [0,1,0,1,0,0|1,0,1]=4 19728 B13R1.2059 CCC(=O)COC[C@@H]1C[C@H]1C(=O)O cfc046dda4509e576bf3cafddc8460e5 [0,1,0,1,0,0|1,0,1]=4 19729 B13R1.2059 CCC(=O)COC[C@H]1C[C@@H]1C(=O)O 90cd0ad9736d2cfc76c059937a024483 [0,1,0,1,0,0|1,0,1]=4 19730 B13R1.2059 CCC(=O)COC[C@H]1C[C@H]1C(=O)O aa81604752d60b365871d770fb71945b [0,1,0,1,0,0|1,0,1]=4 19731 B13R1.2059 CCC(C)CCN[C@@H]1C[C@@H]1C(=O)O 812787e3af27f474f90b7670754b1a3e [0,1,0,1,0,0|1,0,0]=3 19732 B13R1.2059 CCC(C)CCN[C@H]1C[C@@H]1C(=O)O ed5d789b2a89f747f7a1d2cf6e2d0a46 [0,1,0,1,0,0|1,0,0]=3 19733 B13R1.2059 CCC(C)CCN[C@H]1C[C@H]1C(=O)O 7d52cc0fa2229bf249838e672f3b904a [0,1,0,1,0,0|1,0,0]=3 19734 B13R1.2059 CCC(C)CCO[C@@H]1C[C@@H]1C(=O)O 877dbba3471980457eb4257c4aaa3a02 [0,1,0,1,0,0|1,0,0]=3 19735 B13R1.2059 CCC(C)CCO[C@H]1C[C@@H]1C(=O)O 3f90ee0e22f32e0d07350f86ec3c19fe [0,1,0,1,0,0|1,0,0]=3 19736 B13R1.2059 CCC(C)CCO[C@H]1C[C@H]1C(=O)O e3398831336bc99097c9fd6bcfd61e0e [0,1,0,1,0,0|1,0,0]=3 19737 B13R1.2059 CCC(C)CNCC1CC1C(=O)O 1126198c2df7bb056c166dea7602d032 [0,1,0,1,0,0|1,0,0]=3 19738 B13R1.2059 CCC(C)CNC[C@@H]1C[C@H]1C(=O)O 433655bf532de38ea270b9a371c73f70 [0,1,0,1,0,0|1,0,0]=3 19739 B13R1.2059 CCC(C)COCC1CC1C(=O)O b7bf8ad576b91bc7ed6394e643546c80 [0,1,0,1,0,0|1,0,0]=3 19740 B13R1.2059 CCC(C)COC[C@@H]1C[C@H]1C(=O)O b84e25f1910d77ee4ff6a948f6513e50 [0,1,0,1,0,0|1,0,0]=3 19741 B13R1.2059 CCC(C)COC[C@H]1C[C@@H]1C(=O)O c47287e8a48a3e5bac85fafde161ec94 [0,1,0,1,0,0|1,0,0]=3 19742 B13R1.2059 CCC(C)COC[C@H]1C[C@H]1C(=O)O d870675e533083d76abe62638b72ad78 [0,1,0,1,0,0|1,0,0]=3 19743 B13R1.2059 CCC(O)CNCC1CC1C(=O)O 01b721223f6c840ca2d15d4cfe18b38c [0,1,0,1,0,0|1,0,0]=3 19744 B13R1.2059 CCC(O)CNC[C@@H]1C[C@H]1C(=O)O 0a775bd824ed6e94df3c6a8b6c6590e5 [0,1,0,1,0,0|1,0,0]=3 19745 B13R1.2059 CCC(S)CCO[C@@H]1C[C@@H]1C(=O)O b72a8218c38fd160b6c7bb697825695f [0,1,0,1,0,0|1,0,0]=3 19746 B13R1.2059 CCC(S)CCO[C@H]1C[C@@H]1C(=O)O 5d93b4008b65a3b184bb107299cd3008 [0,1,0,1,0,0|1,0,0]=3 19747 B13R1.2059 CCC(S)CCO[C@H]1C[C@H]1C(=O)O 233d9414497ff03fecd57f4e67daa250 [0,1,0,1,0,0|1,0,0]=3 19748 B13R1.2059 CC[C@@H](C)CNC[C@@H]1C[C@H]1C(=O)O 42ee6b37b0677f83b56f4e3b7ce3f17e [0,1,0,1,0,0|1,0,0]=3 19749 B13R1.2059 CC[C@@H](C)COCC1CC1C(=O)O a7a7abd14232cb9e3a265e658ec73c08 [0,1,0,1,0,0|1,0,0]=3 19750 B13R1.2059 CC[C@@H](C)COC[C@@H]1C[C@H]1C(=O)O 61690986c23dc337f5520ec873de9fa4 [0,1,0,1,0,0|1,0,0]=3 19751 B13R1.2059 CC[C@@H](C)COC[C@H]1C[C@@H]1C(=O)O 4101cf88dd988de90270bb56baa5667e [0,1,0,1,0,0|1,0,0]=3 19752 B13R1.2059 CC[C@@H](C)COC[C@H]1C[C@H]1C(=O)O 2067dc1ba418aa6aa7dde069c067ef72 [0,1,0,1,0,0|1,0,0]=3 19753 B13R1.2059 CC[C@@H](O)CNCC1CC1C(=O)O 8fa2da9a10ffb2b2eb9af20ba65a0f8b [0,1,0,1,0,0|1,0,0]=3 19754 B13R1.2059 CC[C@@H](O)CNC[C@@H]1C[C@H]1C(=O)O ffa14b117180dce7825b2f3d763fbacc [0,1,0,1,0,0|1,0,0]=3 19755 B13R1.2059 CC[C@H](C)CCO[C@@H]1C[C@@H]1C(=O)O 17441c7bd69f094d2f9fc1217819ecd4 [0,1,0,1,0,0|1,0,0]=3 19756 B13R1.2059 CC[C@H](C)CCO[C@H]1C[C@@H]1C(=O)O f3dbd9216ee7a4b02ab35e895272270f [0,1,0,1,0,0|1,0,0]=3 19757 B13R1.2059 CC[C@H](C)CCO[C@H]1C[C@H]1C(=O)O ce62baafb3b68c76ae0861b472a036f5 [0,1,0,1,0,0|1,0,0]=3 19758 B13R1.2059 CC[C@H](C)CNCC1CC1C(=O)O 661108df4ce069f451dc46785aa92c08 [0,1,0,1,0,0|1,0,0]=3 19759 B13R1.2059 CC[C@H](C)CNC[C@@H]1C[C@H]1C(=O)O 279b4e862c791a9cf3ce06f4b2bd4d9d [0,1,0,1,0,0|1,0,0]=3 19760 B13R1.2059 CC[C@H](C)COCC1CC1C(=O)O 9d3b29893e1a88f4928b367c8ef2dd8b [0,1,0,1,0,0|1,0,0]=3 19761 B13R1.2059 CC[C@H](C)COC[C@@H]1C[C@H]1C(=O)O 44364e483dd4decc06c7310ce00cb6be [0,1,0,1,0,0|1,0,0]=3 19762 B13R1.2059 CC[C@H](C)COC[C@H]1C[C@@H]1C(=O)O 66a43d23f2779bd40b2a169af4eaf13c [0,1,0,1,0,0|1,0,0]=3 19763 B13R1.2059 CC[C@H](C)COC[C@H]1C[C@H]1C(=O)O ab7fcd74e10bd9be5cda2e9bf075930c [0,1,0,1,0,0|1,0,0]=3 19764 B13R1.2059 COC(C)CCO[C@@H]1C[C@@H]1C(=O)O c4735fe5ec5c449af6db7f1aa58e917e [0,1,0,1,0,0|2,0,0]=4 19765 B13R1.2059 COC(C)CCO[C@H]1C[C@@H]1C(=O)O 954edec1e14c605aa926848a1d5b77ee [0,1,0,1,0,0|2,0,0]=4 19766 B13R1.2059 COC(C)CCO[C@H]1C[C@H]1C(=O)O 3df10800c8c3cabeabcf0192546bcaf5 [0,1,0,1,0,0|2,0,0]=4 19767 B13R1.2059 COC(C)CNC[C@@H]1C[C@H]1C(=O)O 2144a021809ece26b1abff5ae077ec06 [0,1,0,1,0,0|2,0,0]=4 19768 B13R1.2059 COC(C)COCC1CC1C(=O)O bfe52b07e3cb8d8c3a6dbb247a7ff766 [0,1,0,1,0,0|2,0,0]=4 19769 B13R1.2059 COC(C)COC[C@@H]1C[C@H]1C(=O)O bbc8227f274b62f8f4887ed102f5c58a [0,1,0,1,0,0|2,0,0]=4 19770 B13R1.2059 COC(C)COC[C@H]1C[C@@H]1C(=O)O 5ab083e26d4dc82a96a5cdf33df9a013 [0,1,0,1,0,0|2,0,0]=4 19771 B13R1.2059 COC(C)COC[C@H]1C[C@H]1C(=O)O 531805a1c6cf305f82910002c536ec06 [0,1,0,1,0,0|2,0,0]=4 19772 B13R1.2059 CO[C@@H](C)CNCC1CC1C(=O)O 14a03025d83a89af460cb2ea06bcd044 [0,1,0,1,0,0|2,0,0]=4 19773 B13R1.2059 CO[C@@H](C)CNC[C@@H]1C[C@H]1C(=O)O 59e68067dda1162dc5c511f512124c75 [0,1,0,1,0,0|2,0,0]=4 19774 B13R1.2059 CO[C@@H](C)COCC1CC1C(=O)O fcf2893733ca800aa35af480314534c0 [0,1,0,1,0,0|2,0,0]=4 19775 B13R1.2059 CO[C@@H](C)COC[C@@H]1C[C@H]1C(=O)O 00b926f495bed690c87f88e3ff707373 [0,1,0,1,0,0|2,0,0]=4 19776 B13R1.2059 CO[C@@H](C)COC[C@H]1C[C@@H]1C(=O)O 4d19996b286c1dab481415c103838b59 [0,1,0,1,0,0|2,0,0]=4 19777 B13R1.2059 CO[C@@H](C)COC[C@H]1C[C@H]1C(=O)O 6fe38e83ca23a719b3a983a1c8a6ea23 [0,1,0,1,0,0|2,0,0]=4 19778 B13R1.2059 CO[C@H](C)CNCC1CC1C(=O)O 1de903318ff4482667f52b7a03ac377b [0,1,0,1,0,0|2,0,0]=4 19779 B13R1.2059 CO[C@H](C)CNC[C@@H]1C[C@H]1C(=O)O 5296d1b1990e9f75e81dbd03a63615e6 [0,1,0,1,0,0|2,0,0]=4 19780 B13R1.2059 CO[C@H](C)COCC1CC1C(=O)O 1620274259086d46b6bd799b035ea22e [0,1,0,1,0,0|2,0,0]=4 19781 B13R1.2059 CO[C@H](C)COC[C@@H]1C[C@H]1C(=O)O a8082fa7982f853ce20607b31bd97f10 [0,1,0,1,0,0|2,0,0]=4 19782 B13R1.2059 CO[C@H](C)COC[C@H]1C[C@@H]1C(=O)O 8be4c1e1d9b8216a1931f546bf0de88a [0,1,0,1,0,0|2,0,0]=4 19783 B13R1.2059 CO[C@H](C)COC[C@H]1C[C@H]1C(=O)O 7876f675841620d06fae4e3ea1966a7d [0,1,0,1,0,0|2,0,0]=4 19784 B13R1.2059 C[C@@H](CO)CCN[C@@H]1C[C@@H]1C(=O)O b26b51abbffcef735bb7e4d1b649f49d [0,1,0,1,0,0|2,0,0]=4 19785 B13R1.2059 C[C@@H](CO)CCN[C@H]1C[C@@H]1C(=O)O c1352b3c85c11f001dd3f70af50a8fbc [0,1,0,1,0,0|2,0,0]=4 19786 B13R1.2059 C[C@@H](CO)CCN[C@H]1C[C@H]1C(=O)O 08113a6008fcf5e059f37af99c675cfa [0,1,0,1,0,0|2,0,0]=4 19787 B13R1.2059 C[C@@H](CO)CNC[C@@H]1C[C@H]1C(=O)O 120b2970d6c144de7add3c8d9219f491 [0,1,0,1,0,0|2,0,0]=4 19788 B13R1.2059 C[C@H](CO)CNCC1CC1C(=O)O 116f763a544d1f98b5ba128d81366c7f [0,1,0,1,0,0|2,0,0]=4 19789 B13R1.2059 C[C@H](CO)CNC[C@@H]1C[C@H]1C(=O)O a0958fe2a19ae3bfa94fef96309696a3 [0,1,0,1,0,0|2,0,0]=4 19790 B13R1.2059 O=C(O)C1CC1CNCC(Br)CBr 83c256d8040a004a798ca55100a25d80 [0,1,0,1,0,0|2,0,0]=4 19791 B13R1.2059 O=C(O)C1CC1CNCC(F)CO 158b05af11b94d937392c8d38a5d3cae [0,1,0,1,0,0|2,0,0]=4 19792 B13R1.2059 O=C(O)C1CC1CNCC(O)CO a3891d28aa735ba38cce74b6570c554b [0,1,0,1,0,0|2,0,0]=4 19793 B13R1.2059 O=C(O)C1CC1CNC[C@@H](F)CO 1dc4419e73dbd0a8373b07e0d8c420ce [0,1,0,1,0,0|2,0,0]=4 19794 B13R1.2059 O=C(O)C1CC1CNC[C@@H](O)CO c31246f1714ba3acc78ad933e72465e7 [0,1,0,1,0,0|2,0,0]=4 19795 B13R1.2059 O=C(O)C1CC1CNC[C@H](F)CO 3aac6c2120face7f87411b19ec5b82ba [0,1,0,1,0,0|2,0,0]=4 19796 B13R1.2059 O=C(O)C1CC1CNC[C@H](O)CO 3088ddc3c2534e9e226bd3d1312fbf8a [0,1,0,1,0,0|2,0,0]=4 19797 B13R1.2059 O=C(O)C1CC1COCC(Br)CBr add23018d46d05c6aac35f39752b91a8 [0,1,0,1,0,0|2,0,0]=4 19798 B13R1.2059 O=C(O)C1CC1COCC(Cl)CCl 6caba8db67cba541605fa4cacfb1b841 [0,1,0,1,0,0|2,0,0]=4 19799 B13R1.2059 O=C(O)C1CC1COCC(O)CO 2b3dc514a771ceae4d559c36b1b7aa66 [0,1,0,1,0,0|2,0,0]=4 19800 B13R1.2059 O=C(O)C1CC1COCC(S)CS c8924621e4ac840f08d4153ce8116379 [0,1,0,1,0,0|2,0,0]=4 19801 B13R1.2059 O=C(O)C1CC1COC[C@@H](O)CO 63691102a14f0f28774089572f5a666d [0,1,0,1,0,0|2,0,0]=4 19802 B13R1.2059 O=C(O)C1CC1COC[C@H](O)CO 50edbd86f3506d24ac9d1c0b682fb1d8 [0,1,0,1,0,0|2,0,0]=4 19803 B13R1.2059 O=C(O)[C@@H]1C[C@@H]1COCC(O)CO 9447850ea226604368e6d932a178fc6d [0,1,0,1,0,0|2,0,0]=4 19804 B13R1.2059 O=C(O)[C@@H]1C[C@@H]1COC[C@@H](O)CO 2effa7db4d053dcb40fb8a69e11e3305 [0,1,0,1,0,0|2,0,0]=4 19805 B13R1.2059 O=C(O)[C@@H]1C[C@@H]1COC[C@H](O)CO 3bb53d0da0142d0ec6d285a4381548a6 [0,1,0,1,0,0|2,0,0]=4 19806 B13R1.2059 O=C(O)[C@@H]1C[C@@H]1NCCC(O)CO 0470146416a63d3eb7fba8daf4a2da41 [0,1,0,1,0,0|2,0,0]=4 19807 B13R1.2059 O=C(O)[C@@H]1C[C@H]1CNCC(Br)CBr 433f62e894115efb7166d13a871b49f8 [0,1,0,1,0,0|2,0,0]=4 19808 B13R1.2059 O=C(O)[C@@H]1C[C@H]1CNCC(F)CO 2e8219a3773e49c2a60e84bab3edfef0 [0,1,0,1,0,0|2,0,0]=4 19809 B13R1.2059 O=C(O)[C@@H]1C[C@H]1CNCC(O)CF 320ef5649dfc55af7e6f3de18fd4a23e [0,1,0,1,0,0|2,0,0]=4 19810 B13R1.2059 O=C(O)[C@@H]1C[C@H]1CNCC(O)CO 1b5440aee20f9bd2c246361717fda459 [0,1,0,1,0,0|2,0,0]=4 19811 B13R1.2059 O=C(O)[C@@H]1C[C@H]1CNC[C@@H](F)CO 0d0b72381dbcebb074f04369045eea14 [0,1,0,1,0,0|2,0,0]=4 19812 B13R1.2059 O=C(O)[C@@H]1C[C@H]1CNC[C@@H](O)CO a895a57b13a8deb2ec54681b432e8f60 [0,1,0,1,0,0|2,0,0]=4 19813 B13R1.2059 O=C(O)[C@@H]1C[C@H]1CNC[C@H](F)CO e5baa93a7e8419bcd5d5291b82d518c5 [0,1,0,1,0,0|2,0,0]=4 19814 B13R1.2059 O=C(O)[C@@H]1C[C@H]1CNC[C@H](O)CO 7222ce2adfdb8509daf03cea24246389 [0,1,0,1,0,0|2,0,0]=4 19815 B13R1.2059 O=C(O)[C@@H]1C[C@H]1COCC(Br)CBr e0f058bf32f4e01d41aee0e924c9a380 [0,1,0,1,0,0|2,0,0]=4 19816 B13R1.2059 O=C(O)[C@@H]1C[C@H]1COCC(Cl)CCl 6fa880ce89572bf2d89a9c44fc6d9b94 [0,1,0,1,0,0|2,0,0]=4 19817 B13R1.2059 O=C(O)[C@@H]1C[C@H]1COCC(O)CO 6a7051c1e327c57671cac9e3ce3a53f7 [0,1,0,1,0,0|2,0,0]=4 19818 B13R1.2059 O=C(O)[C@@H]1C[C@H]1COCC(S)CS 275bf668548aa35f4f40b7d3ddbca262 [0,1,0,1,0,0|2,0,0]=4 19819 B13R1.2059 O=C(O)[C@@H]1C[C@H]1COC[C@@H](O)CO 0c2f15df34d8391fb969fa3a86a9e9ae [0,1,0,1,0,0|2,0,0]=4 19820 B13R1.2059 O=C(O)[C@@H]1C[C@H]1COC[C@H](O)CO fcf924c0e628371b7212930273e64ae0 [0,1,0,1,0,0|2,0,0]=4 19821 B13R1.2059 O=C(O)[C@H]1C[C@@H]1COCC(O)CO b79321cd70b3b9d7f73d8d0d6ab46070 [0,1,0,1,0,0|2,0,0]=4 19822 B13R1.2059 O=C(O)[C@H]1C[C@@H]1COC[C@@H](O)CO 1ec3a0a971375ecda1a2d6c7cf40cb7d [0,1,0,1,0,0|2,0,0]=4 19823 B13R1.2059 O=C(O)[C@H]1C[C@@H]1COC[C@H](O)CO 300d1aebe16f87b6033caf5107544eb2 [0,1,0,1,0,0|2,0,0]=4 19824 B13R1.2059 O=C(O)[C@H]1C[C@@H]1NCCC(O)CO 487c2a991e1c62241c758eae7f5555bf [0,1,0,1,0,0|2,0,0]=4 19825 B13R1.2059 O=C(O)[C@H]1C[C@H]1NCCC(O)CO 269b0bfa9a8cb02bb7e2412e92379c59 [0,1,0,1,0,0|2,0,0]=4 19826 B13R1.2880 C=C(CC)CN1CCCC1C(=O)O 2c8bb03aad4b944b5dd94c327106b945 [0,1,0,1,0,0|1,0,1]=4 19827 B13R1.2880 C=C(CC)CN1CCC[C@@H]1C(=O)O a8bd96f1e5782ae93580361cab6aa633 [0,1,0,1,0,0|1,0,1]=4 19828 B13R1.2880 C=C(CC)CN1CCC[C@H]1C(=O)O a090728969fe4fc40bffd8da55ad7571 [0,1,0,1,0,0|1,0,1]=4 19829 B13R1.2880 CC(CO)CN1CCCC1C(=O)O 23290d8aabe6838f506c9cb80b060d50 [0,1,0,1,0,0|2,0,0]=4 19830 B13R1.2880 CC(CO)CN1CCC[C@@H]1C(=O)O 5ba5dd561925b1fd0b0a849985fc48b5 [0,1,0,1,0,0|2,0,0]=4 19831 B13R1.2880 CC(CO)CN1CCC[C@H]1C(=O)O 9ab310e2d184b91a273578a1dc69761f [0,1,0,1,0,0|2,0,0]=4 19832 B13R1.2880 CC(CO)N[C@@H]1CCC[C@@H]1C(=O)O 244781bea1c508f4c442aa48022356fc [0,1,0,1,0,0|2,0,0]=4 19833 B13R1.2880 CC(CO)N[C@H]1CCC[C@@H]1C(=O)O b6a47159cd6fc7e94706baff4d35c8f1 [0,1,0,1,0,0|2,0,0]=4 19834 B13R1.2880 CC(CO)N[C@H]1CCC[C@H]1C(=O)O 3977caac4e2e0f864c89919e5dffb361 [0,1,0,1,0,0|2,0,0]=4 19835 B13R1.2880 CCC(=O)CN1CCCC1C(=O)O b2cc54ac3811a8c99ebcb831ec13a659 [0,1,0,1,0,0|1,0,1]=4 19836 B13R1.2880 CCC(=O)CN1CCC[C@@H]1C(=O)O 981ab149bcf03987ce2a2e5caede3dfd [0,1,0,1,0,0|1,0,1]=4 19837 B13R1.2880 CCC(=O)CN1CCC[C@H]1C(=O)O 1d4eaf2a1b5ecf7dbb60e289730491ce [0,1,0,1,0,0|1,0,1]=4 19838 B13R1.2880 CCC(C)CN1CCCC1C(=O)N ccd31c0661a345f9c00cb6b5f01e127a [0,1,0,1,0,0|2,0,0]=4 19839 B13R1.2880 CCC(C)CN1CCCC1C(=O)O b35c713858a7ea76ad1fde7c79680a25 [0,1,0,1,0,0|1,0,0]=3 19840 B13R1.2880 CCC(C)CN1CCC[C@@H]1C(=O)N f50e4cc3c4348902105711e3180295f3 [0,1,0,1,0,0|2,0,0]=4 19841 B13R1.2880 CCC(C)CN1CCC[C@@H]1C(=O)O e9b363d131d9a29be1c85df372a69c6e [0,1,0,1,0,0|1,0,0]=3 19842 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)N 4814a07f406a52e1419c757884230f54 [0,1,0,1,0,0|2,0,0]=4 19843 B13R1.2880 CCC(C)CN1CCC[C@H]1C(=O)O 8b4d93235786061e5802636a7c1aca92 [0,1,0,1,0,0|1,0,0]=3 19844 B13R1.2880 CCC(C)CN1CCSC1C(=O)O c18ef410bad21987371a94846d552442 [0,1,0,1,0,0|2,0,0]=4 19845 B13R1.2880 CCC(C)CN1CSCC1C(=O)O ec8fae148ff7cb536f5fc5488dc91b4d [0,1,0,1,0,0|2,0,0]=4 19846 B13R1.2880 CCC(C)CN1CSC[C@@H]1C(=O)O 0091387b15101a5819383253557e2923 [0,1,0,1,0,0|2,0,0]=4 19847 B13R1.2880 CCC(C)CN1CSC[C@H]1C(=O)O 765c10a9df0c6a9922ed4738b6c869a9 [0,1,0,1,0,0|2,0,0]=4 19848 B13R1.2880 CCC(C)N[C@@H]1CCC[C@@H]1C(=O)O fa08f968d6cfab47152c3f08f16d0933 [0,1,0,1,0,0|1,0,0]=3 19849 B13R1.2880 CCC(C)N[C@@H]1COC[C@@H]1C(=O)O 56a92ab9bf8acc46ee389c773eceaae6 [0,1,0,1,0,0|2,0,0]=4 19850 B13R1.2880 CCC(C)N[C@@H]1COC[C@H]1C(=O)O ce5284eee99381a9775b916a2463bb55 [0,1,0,1,0,0|2,0,0]=4 19851 B13R1.2880 CCC(C)N[C@H]1CCC[C@@H]1C(=O)O 2458cf86c171f208daea39764cfc321b [0,1,0,1,0,0|1,0,0]=3 19852 B13R1.2880 CCC(C)N[C@H]1CCC[C@H]1C(=O)O d2d7f2344190aee0a0d11a9ae51f88c5 [0,1,0,1,0,0|1,0,0]=3 19853 B13R1.2880 CCC(C)N[C@H]1COC[C@@H]1C(=O)O d02cc2de356da17b506f6976ff03809a [0,1,0,1,0,0|2,0,0]=4 19854 B13R1.2880 CCC(C)N[C@H]1COC[C@H]1C(=O)O cfab68d050561e7b433ab0b13b1ba022 [0,1,0,1,0,0|2,0,0]=4 19855 B13R1.2880 CCC(C)OC1CCCC1C(=O)N 0e3ce0c7ba74fca479aa96e1db095fe8 [0,1,0,1,0,0|2,0,0]=4 19856 B13R1.2880 CCC(C)OC1CCCC1C(=O)O a707a475459f5b8071c02932fdf71596 [0,1,0,1,0,0|1,0,0]=3 19857 B13R1.2880 CCC(C)O[C@@H]1CCC[C@@H]1C(=O)O 0240d41fa708e8322b96d41d1a6447fd [0,1,0,1,0,0|1,0,0]=3 19858 B13R1.2880 CCC(C)O[C@@H]1CCC[C@H]1C(=O)O 28b03a4e0a30cc67ba07b5b9a8fb8913 [0,1,0,1,0,0|1,0,0]=3 19859 B13R1.2880 CCC(C)O[C@H]1CCC[C@H]1C(=O)O f480e81d12f6b0c6fabf5d0808d885bb [0,1,0,1,0,0|1,0,0]=3 19860 B13R1.2880 CCC(O)CN1CCCC1C(=O)N f7374f3d861ec263ed79da8b8297d6dc [0,1,0,1,0,0|2,0,0]=4 19861 B13R1.2880 CCC(O)CN1CCCC1C(=O)O b490cc17e72a68863012c6767a633565 [0,1,0,1,0,0|1,0,0]=3 19862 B13R1.2880 CCC(O)CN1CCC[C@@H]1C(=O)N 55f33af7e5410c03bbde75e399358a38 [0,1,0,1,0,0|2,0,0]=4 19863 B13R1.2880 CCC(O)CN1CCC[C@@H]1C(=O)O 2b7d69e2546b597e5befa67476f315e8 [0,1,0,1,0,0|1,0,0]=3 19864 B13R1.2880 CCC(O)CN1CCC[C@H]1C(=O)N d7ab999a475e312a6ed8c221c398265d [0,1,0,1,0,0|2,0,0]=4 19865 B13R1.2880 CCC(O)CN1CCC[C@H]1C(=O)O e56434788ec023ec7cc36c61100280b9 [0,1,0,1,0,0|1,0,0]=3 19866 B13R1.2880 CCC(O)CN1CCSC1C(=O)O 77e975f5a3698a8466663c04f94de8d5 [0,1,0,1,0,0|2,0,0]=4 19867 B13R1.2880 CC[C@@H](C)CN1CCCC1C(=O)N 38574e24c5024faa977fde8351e34807 [0,1,0,1,0,0|2,0,0]=4 19868 B13R1.2880 CC[C@@H](C)CN1CCCC1C(=O)O f8d2e3c98965564f575077b39097783d [0,1,0,1,0,0|1,0,0]=3 19869 B13R1.2880 CC[C@@H](C)CN1CCC[C@@H]1C(=O)N 74fd5691bc7b825aaf4f256d0819c236 [0,1,0,1,0,0|2,0,0]=4 19870 B13R1.2880 CC[C@@H](C)CN1CCC[C@@H]1C(=O)O 3508133a762477397bf75e92acea1fd5 [0,1,0,1,0,0|1,0,0]=3 19871 B13R1.2880 CC[C@@H](C)CN1CCC[C@H]1C(=O)N 42219cd09498f8854973143458102a17 [0,1,0,1,0,0|2,0,0]=4 19872 B13R1.2880 CC[C@@H](C)CN1CCC[C@H]1C(=O)O 70bc5d352bd92cc59377712cda6be236 [0,1,0,1,0,0|1,0,0]=3 19873 B13R1.2880 CC[C@@H](C)CN1CCSC1C(=O)O 061577e65d08bf3c626b5aa132b610c1 [0,1,0,1,0,0|2,0,0]=4 19874 B13R1.2880 CC[C@@H](C)CN1CSCC1C(=O)O e2cdf322d3c23c6a9f235628f82d3da3 [0,1,0,1,0,0|2,0,0]=4 19875 B13R1.2880 CC[C@@H](C)CN1CSC[C@@H]1C(=O)O 01fa5c2424d09fd7efa98fb163becb58 [0,1,0,1,0,0|2,0,0]=4 19876 B13R1.2880 CC[C@@H](C)CN1CSC[C@H]1C(=O)O 7c046f9d0b4d37294cae86071fc66c1c [0,1,0,1,0,0|2,0,0]=4 19877 B13R1.2880 CC[C@H](C)CN1CCCC1C(=O)N 3a11c8dbbc6211bdf61482a8efe488db [0,1,0,1,0,0|2,0,0]=4 19878 B13R1.2880 CC[C@H](C)CN1CCCC1C(=O)O 4433be0b6a32cce58b65891932b8341d [0,1,0,1,0,0|1,0,0]=3 19879 B13R1.2880 CC[C@H](C)CN1CCC[C@@H]1C(=O)N df9238a5ee70bc3ea93697e213bd508c [0,1,0,1,0,0|2,0,0]=4 19880 B13R1.2880 CC[C@H](C)CN1CCC[C@@H]1C(=O)O 1a35286a42c2206ee96d8eb513c59c3b [0,1,0,1,0,0|1,0,0]=3 19881 B13R1.2880 CC[C@H](C)CN1CCC[C@H]1C(=O)N 2aa509fe3eba751a3ffad58985301434 [0,1,0,1,0,0|2,0,0]=4 19882 B13R1.2880 CC[C@H](C)CN1CCC[C@H]1C(=O)O cb2e49f46dacdfa963e73a941722d00c [0,1,0,1,0,0|1,0,0]=3 19883 B13R1.2880 CC[C@H](C)CN1CCSC1C(=O)O 7a3174d5ad90bed74838d9ee5a5ba4bb [0,1,0,1,0,0|2,0,0]=4 19884 B13R1.2880 CC[C@H](C)CN1CSCC1C(=O)O 7bb426d9251d460aa3387615e9be0490 [0,1,0,1,0,0|2,0,0]=4 19885 B13R1.2880 CC[C@H](C)CN1CSC[C@@H]1C(=O)O 2200fe06cbea764ed0e379d4b82121e5 [0,1,0,1,0,0|2,0,0]=4 19886 B13R1.2880 CC[C@H](C)CN1CSC[C@H]1C(=O)O ceed3f0fc05a4dde12d9ae216df2ed3e [0,1,0,1,0,0|2,0,0]=4 19887 B13R1.2880 COC(C)CN1CCCC1C(=O)O 7292af3e51abda29e1131e38be928d73 [0,1,0,1,0,0|2,0,0]=4 19888 B13R1.2880 COC(C)CN1CCC[C@@H]1C(=O)O bc093d975f7e02b506df7718f7638318 [0,1,0,1,0,0|2,0,0]=4 19889 B13R1.2880 COC(C)CN1CCC[C@H]1C(=O)O f3f84344028d884aa97c1ab2f0f99619 [0,1,0,1,0,0|2,0,0]=4 19890 B13R1.2880 CO[C@@H](C)CN1CCCC1C(=O)O d8ce20641bebc4fce270dc6a68609dd2 [0,1,0,1,0,0|2,0,0]=4 19891 B13R1.2880 CO[C@@H](C)CN1CCC[C@@H]1C(=O)O f9a5c5bb69ce71c817cc8734fbda13eb [0,1,0,1,0,0|2,0,0]=4 19892 B13R1.2880 CO[C@@H](C)CN1CCC[C@H]1C(=O)O 7d6e5e1c84b4b29fc70739427641062b [0,1,0,1,0,0|2,0,0]=4 19893 B13R1.2880 CO[C@H](C)CN1CCCC1C(=O)O e7d3a39c4b2735d4ac95adaec26a018e [0,1,0,1,0,0|2,0,0]=4 19894 B13R1.2880 CO[C@H](C)CN1CCC[C@@H]1C(=O)O baaeb13fe876dcc52ef9d3934f96b586 [0,1,0,1,0,0|2,0,0]=4 19895 B13R1.2880 CO[C@H](C)CN1CCC[C@H]1C(=O)O 4ad60158aee5376ac63c300be068c88f [0,1,0,1,0,0|2,0,0]=4 19896 B13R1.2880 C[C@@H](CO)CN1CCCC1C(=O)O 4afb14d0557fabd39f99b9b2f409caa4 [0,1,0,1,0,0|2,0,0]=4 19897 B13R1.2880 C[C@@H](CO)CN1CCC[C@@H]1C(=O)O 6776f085c108d3ab08c045aef43e201e [0,1,0,1,0,0|2,0,0]=4 19898 B13R1.2880 C[C@@H](CO)CN1CCC[C@H]1C(=O)O 2972776a3d12e673ffb7dede6e069f9b [0,1,0,1,0,0|2,0,0]=4 19899 B13R1.2880 C[C@@H](CO)N[C@@H]1CCC[C@@H]1C(=O)O a34bef26bc99181cbdc16bd5d69809f2 [0,1,0,1,0,0|2,0,0]=4 19900 B13R1.2880 C[C@@H](CO)N[C@H]1CCC[C@@H]1C(=O)O a856ef6b009384a0def1bb9e29700ea7 [0,1,0,1,0,0|2,0,0]=4 19901 B13R1.2880 C[C@@H](CO)N[C@H]1CCC[C@H]1C(=O)O 4814e5393b1980c78e819d45916b5087 [0,1,0,1,0,0|2,0,0]=4 19902 B13R1.2880 C[C@H](CO)CN1CCCC1C(=O)O 87c981aa08887016e2652e85f8d99f5e [0,1,0,1,0,0|2,0,0]=4 19903 B13R1.2880 C[C@H](CO)CN1CCC[C@@H]1C(=O)O b1ab9b6b7dcce3f282633aa15edc18b9 [0,1,0,1,0,0|2,0,0]=4 19904 B13R1.2880 C[C@H](CO)CN1CCC[C@H]1C(=O)O b5b4f931e7468be96c2679c94ffc8233 [0,1,0,1,0,0|2,0,0]=4 19905 B13R1.2880 C[C@H](CO)N[C@@H]1CCC[C@@H]1C(=O)O 9dd2911a83e966d7e7c991e59b7f5258 [0,1,0,1,0,0|2,0,0]=4 19906 B13R1.2880 C[C@H](CO)N[C@H]1CCC[C@@H]1C(=O)O 2c0b1601b2acdf574d1f2fbf839efdf1 [0,1,0,1,0,0|2,0,0]=4 19907 B13R1.2880 C[C@H](CO)N[C@H]1CCC[C@H]1C(=O)O a0b85e38ab7fbd78c924774adf9ceafa [0,1,0,1,0,0|2,0,0]=4 19908 B13R1.2880 O=C(O)C1CCCN1CC(O)CF f6b07fe73ddc5ee6ed4da9a217e68560 [0,1,0,1,0,0|2,0,0]=4 19909 B13R1.2880 O=C(O)C1CCCN1CC(O)CO 78ae974d8b9abb11b32ac4c34b72b812 [0,1,0,1,0,0|2,0,0]=4 19910 B13R1.2880 O=C(O)C1CCCN1C[C@@H](O)CO 47ae6cd606c99079916ef0b57fb28410 [0,1,0,1,0,0|2,0,0]=4 19911 B13R1.2880 O=C(O)C1CCCN1C[C@H](O)CO 42e5c61f2060c99f460fa4ef0e6f6fa5 [0,1,0,1,0,0|2,0,0]=4 19912 B13R1.2880 O=C(O)[C@@H]1CCCN1CC(O)CF c1db1c759a9c2f9faa6baa924ef1b7dc [0,1,0,1,0,0|2,0,0]=4 19913 B13R1.2880 O=C(O)[C@@H]1CCCN1CC(O)CO 2282452ccdc6a91077759682ce50ef32 [0,1,0,1,0,0|2,0,0]=4 19914 B13R1.2880 O=C(O)[C@@H]1CCCN1C[C@@H](O)CO f4fedec304e9d22d18ca1ec11de5766a [0,1,0,1,0,0|2,0,0]=4 19915 B13R1.2880 O=C(O)[C@@H]1CCCN1C[C@H](O)CO 240313044ff738b45a4aed4ce8ef51f2 [0,1,0,1,0,0|2,0,0]=4 19916 B13R1.2880 O=C(O)[C@H]1CCCN1CC(O)CF 5206d8d5ed7583d1cc0865dc5ab799be [0,1,0,1,0,0|2,0,0]=4 19917 B13R1.2880 O=C(O)[C@H]1CCCN1CC(O)CO c0b61268245a039e8c15c0109e9046fd [0,1,0,1,0,0|2,0,0]=4 19918 B13R1.2880 O=C(O)[C@H]1CCCN1C[C@@H](O)CO 0f1a5449bf473bcb60b90121140a7a81 [0,1,0,1,0,0|2,0,0]=4 19919 B13R1.2880 O=C(O)[C@H]1CCCN1C[C@H](O)CO 0bdcd171d23b4f80bf913273dad9a2ce [0,1,0,1,0,0|2,0,0]=4 19920 B13R1.3127 CC1(CCCN1CCC(=O)O)CO 5efe25210a873bab464e75b0cd93ab0a [0,1,0,1,0,0|2,0,0]=4 19921 B13R1.3796 CC(=O)CCN1CCCC(CC1)C b33eb3612105a055c8343a6a002cafd6 [0,1,0,1,0,0|2,0,0]=4 19922 B13R1.3796 CC(=O)CCN1CCCC(CC1)F 3d0e976c70366b1607525beebc916229 [0,1,0,1,0,0|2,0,0]=4 19923 B13R1.3796 CC(=O)CCN1CCCC(CC1)O 11b43c5acee080c506afaa979da79ae0 [0,1,0,1,0,0|2,0,0]=4 19924 B13R1.3796 CC(=O)CCN1CCC[C@@H](CC1)O 6d5124efc95688fddbc0cf385bdd833f [0,1,0,1,0,0|2,0,0]=4 19925 B13R1.3796 CC(=O)CCN1CCC[C@H](CC1)O c16ed6006b3789e3910974e640acdc51 [0,1,0,1,0,0|2,0,0]=4 19926 B13R1.3796 CC1CCCN(CC1)CCC(=O)N a92821900185628477fe4733e81cb251 [0,1,0,1,0,0|2,0,0]=4 19927 B13R1.3796 CC1CCCN(CC1)CCC(=O)O f3ca73b04bd04274f53bb20ea26aed62 [0,1,0,1,0,0|1,0,0]=3 19928 B13R1.3796 CN1CCCC(CC1)NCC(=O)O 3dd2b9e4e2aab5268f4dd408313da859 [0,1,0,1,0,0|2,0,0]=4 19929 B13R1.3796 CN1CCCC(CC1)OCC(=O)O 97a134fdaafdfd522afc918f92080f58 [0,1,0,1,0,0|2,0,0]=4 19930 B13R1.3796 CN1CCCN(CC1)CCC(=O)O f965dec7098825b773f11ed7c658beab [0,1,0,1,0,0|2,0,0]=4 19931 B13R1.3796 CN1CCC[C@@H](CC1)OCC(=O)O c98df0bc71a174013dad568466d44afa [0,1,0,1,0,0|2,0,0]=4 19932 B13R1.3796 CN1CCC[C@H](CC1)OCC(=O)O 3810a9ddaeac86d67651f1cb105b535b [0,1,0,1,0,0|2,0,0]=4 19933 B13R1.3796 NC(=O)CCN1CCCC(CC1)F 3f24e5e8be91625a5569f418a93c381d [0,1,0,1,0,0|2,0,0]=4 19934 B13R1.3796 NC(=O)CCN1CCCC(CC1)O d3e742b84dcc70762b17e1fa9e0d77bf [0,1,0,1,0,0|2,0,0]=4 19935 B13R1.3796 NC(=O)CCN1CCC[C@@H](CC1)O 88378cae42cba90160ba2c66b97d1c06 [0,1,0,1,0,0|2,0,0]=4 19936 B13R1.3796 NC(=O)CCN1CCC[C@H](CC1)O 0a2ebfc1c5d98607988cb30107d695e8 [0,1,0,1,0,0|2,0,0]=4 19937 B13R1.3796 O=C(O)CCN1CCCC(CC1)F 36f2d049bd8fae117ea0e661690d0bec [0,1,0,1,0,0|1,0,0]=3 19938 B13R1.3796 O=C(O)CCN1CCCC(CC1)O 7677d494d2e67e01b5782410563affea [0,1,0,1,0,0|1,0,0]=3 19939 B13R1.3796 O=C(O)CCN1CCC[C@@H](CC1)O 70c142f932d49c73a9d905a0f6886d6a [0,1,0,1,0,0|1,0,0]=3 19940 B13R1.3796 O=C(O)CCN1CCC[C@H](CC1)O 97d4d0c8fe33f3b5e2d1c0853f6d933d [0,1,0,1,0,0|1,0,0]=3 19941 B13R1.7544 CC(=O)CCCN1CCC(C1C)O 4fba62b3638488ab1991851e66f69f1e [0,1,0,1,0,0|2,0,0]=4 19942 B13R1.7544 CC(=O)CCCN1CC[C@@H]([C@@H]1C)O 8eb3029cf8d54d810a9f5b074e19c413 [0,1,0,1,0,0|2,0,0]=4 19943 B13R1.7544 CC(=O)CCCN1CC[C@H]([C@H]1C)O 0c45ff90c726357ee41c053df925bb39 [0,1,0,1,0,0|2,0,0]=4 19944 B13R1.7544 CC1C(CCN1CCCC(=O)N)O cf603395902daf378254b25249b3622d [0,1,0,1,0,0|2,0,0]=4 19945 B13R1.7544 CC1C(CCN1CCCC(=O)O)O 11a548eeb8e272d9aad2149c8b2af2a6 [0,1,0,1,0,0|1,0,0]=3 19946 B13R1.7544 C[C@@H]1[C@@H](CCN1CCCC(=O)N)O ebcb94890672cbff4d4930a2877eae17 [0,1,0,1,0,0|2,0,0]=4 19947 B13R1.7544 C[C@@H]1[C@@H](CCN1CCCC(=O)O)O 9d4e08d4171d86cae791d27968c26511 [0,1,0,1,0,0|1,0,0]=3 19948 B13R1.7544 C[C@H]1[C@H](CCN1CCCC(=O)N)O 1abb19f9986712275f1506bed15a2111 [0,1,0,1,0,0|2,0,0]=4 19949 B13R1.7544 C[C@H]1[C@H](CCN1CCCC(=O)O)O dd730f5e64ce6a53dcd1202454af2212 [0,1,0,1,0,0|1,0,0]=3 19950 B13R1.23 CCCCNC(=O)C1CCC(=O)O1 fd672f49e41fa457addff0b337bb6a99 [0,1,0,1,0,0|1,0,1]=4 19951 B13R1.23 CCCCNC(=O)[C@@H]1CCC(=O)O1 57b12920b73af9d2958e6428d6e33c4d [0,1,0,1,0,0|1,0,1]=4 19952 B13R1.23 CCCCNC(=O)[C@H]1CCC(=O)O1 8ab774883ab9493872e15daa4348bba9 [0,1,0,1,0,0|1,0,1]=4 19953 B13R1.149 CC(=O)CCCN1CCCC(C1)C 5af2a2214021d591e11539a7d5a2b94e [0,1,0,1,0,0|2,0,0]=4 19954 B13R1.149 CC(=O)CCCN1CCCC(C1)F 683360ea0f81d1c16b64de3b70e0ea11 [0,1,0,1,0,0|2,0,0]=4 19955 B13R1.149 CC(=O)CCCN1CCCC(C1)O 191c65b62c22a442bebf10fb5008f306 [0,1,0,1,0,0|2,0,0]=4 19956 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)C 9e508279e090f82f85a3590d13e17251 [0,1,0,1,0,0|2,0,0]=4 19957 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)F 9b6c8e6e7bef21ed192b02d5ee1b00bd [0,1,0,1,0,0|2,0,0]=4 19958 B13R1.149 CC(=O)CCCN1CCC[C@@H](C1)O 952e7bba93ed8df4203b833ae0643715 [0,1,0,1,0,0|2,0,0]=4 19959 B13R1.149 CC(=O)CCCN1CCC[C@H](C1)C 4980ba0a5d364de667cc36d034654b02 [0,1,0,1,0,0|2,0,0]=4 19960 B13R1.149 CC(=O)CCCN1CCC[C@H](C1)F 0358c7d277efa0868f36fafec4300a50 [0,1,0,1,0,0|2,0,0]=4 19961 B13R1.149 CC(=O)CCCN1CCC[C@H](C1)O 2851f4d5880bbc28ed86aedbf3b0956f [0,1,0,1,0,0|2,0,0]=4 19962 B13R1.149 CC(=O)CCNC1CCCC(C1)C f7f1c2191ae8f413b5519c6c750c1dcf [0,1,0,1,0,0|2,0,0]=4 19963 B13R1.149 CC(=O)CCNC1CCCC(C1)O ec9817033a7056dc52c29af4029b9511 [0,1,0,1,0,0|2,0,0]=4 19964 B13R1.149 CC(=O)CCN[C@@H]1CCC[C@@H](C1)O 070a2c711da167422f156ca8e35bfdca [0,1,0,1,0,0|2,0,0]=4 19965 B13R1.149 CC(=O)CCN[C@@H]1CCC[C@H](C1)C 1dfc17db77933da80191c1bcf54507ec [0,1,0,1,0,0|2,0,0]=4 19966 B13R1.149 CC(=O)CCN[C@@H]1CCC[C@H](C1)O 9ff1220a2896224a2e9c2ef724dc37bf [0,1,0,1,0,0|2,0,0]=4 19967 B13R1.149 CC(=O)CCN[C@H]1CCC[C@@H](C1)O 48d1b2cd3fdf105d4e4ebcf7523dbae0 [0,1,0,1,0,0|2,0,0]=4 19968 B13R1.149 CC(=O)CCN[C@H]1CCC[C@H](C1)O 2ba7f02201f31152f38611a00a06d1a0 [0,1,0,1,0,0|2,0,0]=4 19969 B13R1.149 CC(=O)CCOC1CCCC(C1)C ddca2dc5b60a6423a07fd34b6deed89e [0,1,0,1,0,0|2,0,0]=4 19970 B13R1.149 CC(=O)CCO[C@@H]1CCC[C@@H](C1)C 42263f9357b2fd4fa3c05f9f0ae73255 [0,1,0,1,0,0|2,0,0]=4 19971 B13R1.149 CC(=O)CCO[C@H]1CCC[C@@H](C1)C 122ec463c67566fb599207c10d06300e [0,1,0,1,0,0|2,0,0]=4 19972 B13R1.149 CC(=O)CCO[C@H]1CCC[C@H](C1)C 7bbad5b334e1712535e4184a027f58f0 [0,1,0,1,0,0|2,0,0]=4 19973 B13R1.149 CC(C)CCCN1CCCC(=O)C1 329d1ebe70386a7c75b4731c1adc3730 [0,1,0,1,0,0|2,0,0]=4 19974 B13R1.149 CC(C)CCOC1CCCC(=O)C1 a1bc6bdbba605e02d6de823c4f4ba777 [0,1,0,1,0,0|2,0,0]=4 19975 B13R1.149 CC(C)CNCC1CCCC(=O)N1 0cb72121886f84de7119a06f48d893c3 [0,1,0,1,0,0|2,0,0]=4 19976 B13R1.149 CC(C)COCC1CCCC(=O)C1 89b52eb7be00add01c53bd813b20c7dd [0,1,0,1,0,0|2,0,0]=4 19977 B13R1.149 CC(C)COCC1CCCC(=O)N1 4fd2ea5539ac90083f942dccfce190bc [0,1,0,1,0,0|2,0,0]=4 19978 B13R1.149 CC(C)COC[C@@H]1CCCC(=O)N1 837a7b72f879d4547fd5548bf1c5ae4c [0,1,0,1,0,0|2,0,0]=4 19979 B13R1.149 CC(C)COC[C@H]1CCCC(=O)N1 6dc2d47952d4a70a5f29921df6efa675 [0,1,0,1,0,0|2,0,0]=4 19980 B13R1.149 CC(O)CCCN1CCCC(=O)C1 9de23a43ec232bee064a35c601f7ec83 [0,1,0,1,0,0|2,0,0]=4 19981 B13R1.149 CC(O)CCNC1CCCC(=O)C1 67b24784a28d693db3a216436cf1b6ac [0,1,0,1,0,0|2,0,0]=4 19982 B13R1.149 CC(O)CNCC1CCCC(=O)N1 b18a28ea6b60946f880646018209d2b0 [0,1,0,1,0,0|2,0,0]=4 19983 B13R1.149 CC1=CC(CCC1)OCCC(=O)O d1dd67e6726d3a7e1b99b42794585b51 [0,1,0,1,0,0|1,0,1]=4 19984 B13R1.149 CC1CC(CCO1)NCCC(=O)O fdf396cfe527a2bac096fa066112e31a [0,1,0,1,0,0|2,0,0]=4 19985 B13R1.149 CC1CC(CCO1)OCCC(=O)O dd63b51976b0af804f21b79417b40951 [0,1,0,1,0,0|2,0,0]=4 19986 B13R1.149 CC1CCCC(C1)CNCC(=O)N fd4364e91968a7006467293649741eb8 [0,1,0,1,0,0|2,0,0]=4 19987 B13R1.149 CC1CCCC(C1)CNCC(=O)O 39df50a8e2378443ea5484de3b31f4c2 [0,1,0,1,0,0|1,0,0]=3 19988 B13R1.149 CC1CCCC(C1)COCC(=O)N f5e654e1d5c466a13908444cac943e0a [0,1,0,1,0,0|2,0,0]=4 19989 B13R1.149 CC1CCCC(C1)COCC(=O)O 6c43f316b5b5bee603213716ac901962 [0,1,0,1,0,0|1,0,0]=3 19990 B13R1.149 CC1CCCC(C1)NCCC(=O)N 75859b2b0f9a33e47ed74549949aa9ae [0,1,0,1,0,0|2,0,0]=4 19991 B13R1.149 CC1CCCC(C1)NCCC(=O)O 7dc7e1937e49132edc7239f40ec59aa7 [0,1,0,1,0,0|1,0,0]=3 19992 B13R1.149 CC1CCCC(C1)OCCC(=O)N d90349f32074ef5d92a0beb4a2331244 [0,1,0,1,0,0|2,0,0]=4 19993 B13R1.149 CC1CCCC(C1)OCCC(=O)O 6635060f03182b1f95dd7c7edb3f7a11 [0,1,0,1,0,0|1,0,0]=3 19994 B13R1.149 CC1CCCN(C1)CCCC(=O)N e3c46a6004e8dc1abdaa30aaf6152a74 [0,1,0,1,0,0|2,0,0]=4 19995 B13R1.149 CC1CCCN(C1)CCCC(=O)O da0abe7406bb98d31fa3fa5b981e6fe1 [0,1,0,1,0,0|1,0,0]=3 19996 B13R1.149 CC1CN(CCO1)CCCC(=O)O f382175a89cef81659a2e5585bb22a50 [0,1,0,1,0,0|2,0,0]=4 19997 B13R1.149 CN1CCCC(C1)CNCC(=O)O e30f6349c082cee301beb09d752a1f85 [0,1,0,1,0,0|2,0,0]=4 19998 B13R1.149 CN1CCCC(C1)COCC(=O)O 720e2230e684d9ea7194c5a57c51c7e8 [0,1,0,1,0,0|2,0,0]=4 19999 B13R1.149 CN1CCCC(C1)NCCC(=O)O 38c4b87e2f2547cd8bc5483114e5e6ab [0,1,0,1,0,0|2,0,0]=4 20000 B13R1.149 CN1CCCC(C1)OCCC(=O)O a57d897bc644553268ae2ad5af349b65 [0,1,0,1,0,0|2,0,0]=4 20001 B13R1.149 CN1CCC[C@@H](C1)CNCC(=O)O bf6ff721f84cc184becf1e9f21dfe842 [0,1,0,1,0,0|2,0,0]=4 20002 B13R1.149 CN1CCC[C@@H](C1)COCC(=O)O e6c59cfd49c7c41dc0b3d4edcfac8efa [0,1,0,1,0,0|2,0,0]=4 20003 B13R1.149 CN1CCC[C@@H](C1)NCCC(=O)O 01b479ec6023fcb47a0757cb179d49f4 [0,1,0,1,0,0|2,0,0]=4 20004 B13R1.149 CN1CCC[C@@H](C1)OCCC(=O)O 4f5130d54c3af798588675959cc0502b [0,1,0,1,0,0|2,0,0]=4 20005 B13R1.149 CN1CCC[C@H](C1)CNCC(=O)O 17386e839922fc7b12bdc79923f70e87 [0,1,0,1,0,0|2,0,0]=4 20006 B13R1.149 CN1CCC[C@H](C1)COCC(=O)O 34d082ef997d0bc2abb9c7757ab59c6e [0,1,0,1,0,0|2,0,0]=4 20007 B13R1.149 CN1CCC[C@H](C1)NCCC(=O)O 63f10d7de7c0e8f4c7d69e68fd365ada [0,1,0,1,0,0|2,0,0]=4 20008 B13R1.149 CN1CCC[C@H](C1)OCCC(=O)O 654d44fc9d8971fcf4f727e20d1b1929 [0,1,0,1,0,0|2,0,0]=4 20009 B13R1.149 C[C@@H](O)CCNC1CCCC(=O)C1 ec51928178e2d4f769d6f0d631258ee3 [0,1,0,1,0,0|2,0,0]=4 20010 B13R1.149 C[C@@H](O)CNCC1CCCC(=O)N1 cbc109400c633e64777c1514a9c7219a [0,1,0,1,0,0|2,0,0]=4 20011 B13R1.149 C[C@@H]1CCCN(C1)CCCC(=O)N db71ddfbbac992ca84e796f30a348955 [0,1,0,1,0,0|2,0,0]=4 20012 B13R1.149 C[C@@H]1CCCN(C1)CCCC(=O)O d79949a3744b68f7ed700d9a47b2d411 [0,1,0,1,0,0|1,0,0]=3 20013 B13R1.149 C[C@@H]1CCC[C@@H](C1)OCCC(=O)N 3570e987bcc0019e92bef1b5320134a6 [0,1,0,1,0,0|2,0,0]=4 20014 B13R1.149 C[C@@H]1CCC[C@@H](C1)OCCC(=O)O a54b61e705ffb6f69d6f2cafef409b27 [0,1,0,1,0,0|1,0,0]=3 20015 B13R1.149 C[C@@H]1CCC[C@H](C1)NCCC(=O)N 468840f301e20a952ae030c55ce5bb56 [0,1,0,1,0,0|2,0,0]=4 20016 B13R1.149 C[C@@H]1CCC[C@H](C1)NCCC(=O)O ae052b0e0faea9284dcbab25873e04af [0,1,0,1,0,0|1,0,0]=3 20017 B13R1.149 C[C@@H]1CN(CCO1)CCCC(=O)O 5694b5fd50d39b5e43040fcf51b8f119 [0,1,0,1,0,0|2,0,0]=4 20018 B13R1.149 C[C@@H]1C[C@@H](CCO1)NCCC(=O)O a03525ca174f79244ac1a5ca849d789d [0,1,0,1,0,0|2,0,0]=4 20019 B13R1.149 C[C@@H]1C[C@@H](CCO1)OCCC(=O)O 8bfa48135c3af269a4341f554c46f7a2 [0,1,0,1,0,0|2,0,0]=4 20020 B13R1.149 C[C@@H]1C[C@H](CCO1)NCCC(=O)O a4cefd54a2332ff3d58590b51a7aa2b5 [0,1,0,1,0,0|2,0,0]=4 20021 B13R1.149 C[C@@H]1C[C@H](CCO1)OCCC(=O)O 20c7b27c85a420397ea94eb40467d99d [0,1,0,1,0,0|2,0,0]=4 20022 B13R1.149 C[C@H](O)CCNC1CCCC(=O)C1 35b661d9e263f12892e78eaec4b2ada7 [0,1,0,1,0,0|2,0,0]=4 20023 B13R1.149 C[C@H](O)CNCC1CCCC(=O)N1 a6800d6256e80ec7d0bca5b5ea49cb85 [0,1,0,1,0,0|2,0,0]=4 20024 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)N 98c3491b233097b66eef8f2ed396e15c [0,1,0,1,0,0|2,0,0]=4 20025 B13R1.149 C[C@H]1CCCN(C1)CCCC(=O)O c9396416c51583d1c6e2cfd03e8fac49 [0,1,0,1,0,0|1,0,0]=3 20026 B13R1.149 C[C@H]1CCC[C@@H](C1)OCCC(=O)N 33354e91dca3152c0cc551db5bf1693e [0,1,0,1,0,0|2,0,0]=4 20027 B13R1.149 C[C@H]1CCC[C@@H](C1)OCCC(=O)O d43ddcc84d2fb2a3f0e9e2f8dd930b94 [0,1,0,1,0,0|1,0,0]=3 20028 B13R1.149 C[C@H]1CCC[C@H](C1)OCCC(=O)N 81f054ac6fdf0b444899607d603db10d [0,1,0,1,0,0|2,0,0]=4 20029 B13R1.149 C[C@H]1CCC[C@H](C1)OCCC(=O)O 692db16c53066d59e3d86eb700449e55 [0,1,0,1,0,0|1,0,0]=3 20030 B13R1.149 C[C@H]1CN(CCO1)CCCC(=O)O a25e463291c15d3080fc3ed0492dccf8 [0,1,0,1,0,0|2,0,0]=4 20031 B13R1.149 C[C@H]1C[C@@H](CCO1)NCCC(=O)O 8a2ba83992593a2a7210c11f28f67388 [0,1,0,1,0,0|2,0,0]=4 20032 B13R1.149 C[C@H]1C[C@@H](CCO1)OCCC(=O)O 9af8c2252d9487d1f3e32fb1b395413b [0,1,0,1,0,0|2,0,0]=4 20033 B13R1.149 C[C@H]1C[C@H](CCO1)NCCC(=O)O 67e5f2f063fdb0dd15faf353a1567209 [0,1,0,1,0,0|2,0,0]=4 20034 B13R1.149 C[C@H]1C[C@H](CCO1)OCCC(=O)O df98340d932a1290899ba4e4ace9b47e [0,1,0,1,0,0|2,0,0]=4 20035 B13R1.149 NC(=O)CCCN1CCCC(C1)F 58514b9ce39eadb4c9303b5bfa8d5ea9 [0,1,0,1,0,0|2,0,0]=4 20036 B13R1.149 NC(=O)CCCN1CCCC(C1)O 0c7ecc95bbe40cd5077701c7d9397779 [0,1,0,1,0,0|2,0,0]=4 20037 B13R1.149 NC(=O)CCCN1CCC[C@@H](C1)F f570b7ba2abb264c08b03b307df3997c [0,1,0,1,0,0|2,0,0]=4 20038 B13R1.149 NC(=O)CCCN1CCC[C@@H](C1)O fc3fe430a461f4685c312e5d59395178 [0,1,0,1,0,0|2,0,0]=4 20039 B13R1.149 NC(=O)CCCN1CCC[C@H](C1)F 10663fb463a6eb77fc71738a4c1bf331 [0,1,0,1,0,0|2,0,0]=4 20040 B13R1.149 NC(=O)CCCN1CCC[C@H](C1)O 0e8c530cac9fb9295308228f8a9b66d1 [0,1,0,1,0,0|2,0,0]=4 20041 B13R1.149 NC(=O)CCNC1CCCC(C1)O 972f82669bf422a7e738ed0d5c4c4f42 [0,1,0,1,0,0|2,0,0]=4 20042 B13R1.149 NC(=O)CCN[C@@H]1CCC[C@@H](C1)O 042a0eb08110448adf1388eea9cdacaa [0,1,0,1,0,0|2,0,0]=4 20043 B13R1.149 NC(=O)CCN[C@@H]1CCC[C@H](C1)O 7a033de0eb646e93332411012842b35f [0,1,0,1,0,0|2,0,0]=4 20044 B13R1.149 NC(=O)CCN[C@H]1CCC[C@@H](C1)O 72f47b18a86225e1242ce160a152cff8 [0,1,0,1,0,0|2,0,0]=4 20045 B13R1.149 NC(=O)CCN[C@H]1CCC[C@H](C1)O bcdc204f59e3bee6ea679faf7adaa9d5 [0,1,0,1,0,0|2,0,0]=4 20046 B13R1.149 NC(=O)CNCC1CCCC(C1)O 6b427158edfd6634f747762bb624d5d5 [0,1,0,1,0,0|2,0,0]=4 20047 B13R1.149 NC(=O)CNC[C@H]1CCC[C@H](C1)O 01ef898deeb5e42b0fd685412f7f7777 [0,1,0,1,0,0|2,0,0]=4 20048 B13R1.149 O=C(O)CCCN1CCCC(C1)F 2e33ac5229ae6ac4e150066b3591eae6 [0,1,0,1,0,0|1,0,0]=3 20049 B13R1.149 O=C(O)CCCN1CCCC(C1)O 4ecc5a7bfb52122b9b89a3809ce1e29f [0,1,0,1,0,0|1,0,0]=3 20050 B13R1.149 O=C(O)CCCN1CCC[C@@H](C1)F 3d97c207bc106d8ae772bf96288baa90 [0,1,0,1,0,0|1,0,0]=3 20051 B13R1.149 O=C(O)CCCN1CCC[C@@H](C1)O 8354651ebeb42f575844850056012157 [0,1,0,1,0,0|1,0,0]=3 20052 B13R1.149 O=C(O)CCCN1CCC[C@H](C1)F 0e3f661126a0808a61f88fcc908d4b08 [0,1,0,1,0,0|1,0,0]=3 20053 B13R1.149 O=C(O)CCCN1CCC[C@H](C1)O 2911ff2fbdb83ad250d3643d2b42d5b0 [0,1,0,1,0,0|1,0,0]=3 20054 B13R1.149 O=C(O)CCNC1CCCC(C1)O 9d0494a039c10614a810fbbe18a4fc18 [0,1,0,1,0,0|1,0,0]=3 20055 B13R1.149 O=C(O)CCNC1COCC(C1)O 4d9c5c61fa0bc869168700b0c37f79cc [0,1,0,1,0,0|2,0,0]=4 20056 B13R1.149 O=C(O)CCN[C@@H]1CCC[C@@H](C1)O f17114706b19632e381802b794ccbb75 [0,1,0,1,0,0|1,0,0]=3 20057 B13R1.149 O=C(O)CCN[C@@H]1CCC[C@H](C1)O 57dee1a937a0ccc0d51f20ed1b5ba19f [0,1,0,1,0,0|1,0,0]=3 20058 B13R1.149 O=C(O)CCN[C@@H]1COC[C@@H](C1)O 62bab59bd90ac39566ed5155f3e01f08 [0,1,0,1,0,0|2,0,0]=4 20059 B13R1.149 O=C(O)CCN[C@H]1CCC[C@@H](C1)O 0578af01f4bdd97e20676e4c35a86946 [0,1,0,1,0,0|1,0,0]=3 20060 B13R1.149 O=C(O)CCN[C@H]1CCC[C@H](C1)O 4b67b49ed88cd4f3d17623d0a3337e4b [0,1,0,1,0,0|1,0,0]=3 20061 B13R1.149 O=C(O)CCN[C@H]1COC[C@H](C1)O 0f398d758bff007e41752fab3b9bd3ef [0,1,0,1,0,0|2,0,0]=4 20062 B13R1.149 O=C(O)CCOC1CCCC(=O)C1 65e90cfbd2495cf7d42a857b10df3406 [0,1,0,1,0,0|1,0,1]=4 20063 B13R1.149 O=C(O)CNCC1CCCC(C1)O 6cbacbfd354246723e4be441bfd17894 [0,1,0,1,0,0|1,0,0]=3 20064 B13R1.149 O=C(O)CNC[C@H]1CCC[C@H](C1)O 41e2ef92a3043c231cc50e635abe9634 [0,1,0,1,0,0|1,0,0]=3 20065 B13R1.149 O=C(O)COCC1CCCC(=O)C1 e2304713812d43328b6be75bd387da61 [0,1,0,1,0,0|1,0,1]=4 20066 B13R1.232 CCCC1CN(C1)CCCC(=O)C b9b1308a1fae88c545db2520036dab54 [0,1,0,1,0,0|2,0,0]=4 20067 B13R1.232 CCCC1CN(C1)CCCC(=O)N 5bf1ca592ec3daf647f86323c94009c1 [0,1,0,1,0,0|2,0,0]=4 20068 B13R1.232 CCCN1CC(C1)OCCC(=O)O 93f51c132da835733e6f190ccf99284e [0,1,0,1,0,0|2,0,0]=4 20069 B13R1.232 CCOC1CN(C1)CCCC(=O)O ff1b82390b85068d249692439457c90c [0,1,0,1,0,0|2,0,0]=4 20070 B13R1.232 CCO[C@H]1C[C@@H](C1)OCCC(=O)O e84d8141525ece8ff85497dfd5ce9238 [0,1,0,1,0,0|2,0,0]=4 20071 B13R1.232 CCO[C@H]1C[C@H](C1)OCCC(=O)O 9d2e7140f786e45f6d35e621ae819177 [0,1,0,1,0,0|2,0,0]=4 20072 B13R1.232 COCC1CC(C1)NCCC(=O)O 275129b93b3da04471868253fd8dc6df [0,1,0,1,0,0|2,0,0]=4 20073 B13R1.232 COCC1CN(C1)CCCC(=O)O 077983e6fc448a9da2efb86400995b72 [0,1,0,1,0,0|2,0,0]=4 20074 B13R1.232 COC[C@H]1C[C@@H](C1)OCCC(=O)O 7529346502e0e7dbd1ec8e6398dde7bc [0,1,0,1,0,0|2,0,0]=4 20075 B13R1.232 COC[C@H]1C[C@H](C1)OCCC(=O)O a5a7acec8dc6303aab9027cec88e4fb9 [0,1,0,1,0,0|2,0,0]=4 20076 B13R1.280 C=C(C)CCN1CCCCCC1C b031aa53b1239d05ba4cdedfe8ee3c94 [0,1,0,1,0,0|2,0,0]=4 20077 B13R1.280 CC(=O)CCN1CCCCCC1C c79a0ebee0bdabca74d1f6ecc15aafc4 [0,1,0,1,0,0|1,0,0]=3 20078 B13R1.280 CC(=O)CCN1CCCOCC1C c017240dee275aad0200d15fb1cbcf69 [0,1,0,1,0,0|2,0,0]=4 20079 B13R1.280 CC(=O)CCN1CCOCCC1C 53b1ae03143fd207bb0b892a0aeecd2a [0,1,0,1,0,0|2,0,0]=4 20080 B13R1.280 CC(=O)CCN1CCSCCC1C 7ce04b2692998d2371ce8d24a37ada72 [0,1,0,1,0,0|2,0,0]=4 20081 B13R1.280 CC(=O)OCN1CCCCCC1C 0ad0c3cfd12ee01dfbb2fa6261771c42 [0,1,0,1,0,0|2,0,0]=4 20082 B13R1.280 CC(O)CCN1CCCCCC1C 9ca67d3f66c625573bd643121f0a73be [0,1,0,1,0,0|1,0,1]=4 20083 B13R1.280 CC1CCCCCN1CCC(=O)N 35755eaabf27dc7a2dfb38c85c5f2e55 [0,1,0,1,0,0|1,0,0]=3 20084 B13R1.280 CC1CCCCCN1CCC(=O)O aac07d5b66022a5ccb6d9e1724419074 [0,1,0,1,0,0|0,0,0]=2 20085 B13R1.280 CC1CCCCCN1CCS(=O)C e28bbb8ef1cddbd87ee6b9146e7a4abd [0,1,0,1,0,0|2,0,0]=4 20086 B13R1.280 CC1CCCCCN1CSC(=O)N 6a3f4d456e68abc1288b71533846a9f5 [0,1,0,1,0,0|2,0,0]=4 20087 B13R1.280 CC1CCOCCN1CCC(=O)N 36a91cd009139a4a0897d7f8449d7dc7 [0,1,0,1,0,0|2,0,0]=4 20088 B13R1.280 CC1CCOCCN1CCC(=O)O bf9364284057917baa7d6a35e09eb648 [0,1,0,1,0,0|1,0,0]=3 20089 B13R1.280 CC1CCSCCN1CCC(=O)N a0b7c7953953eff7da62143ff904d98d [0,1,0,1,0,0|2,0,0]=4 20090 B13R1.280 CC1CCSCCN1CCC(=O)O f9d1166633f830b47ea816714859f8e8 [0,1,0,1,0,0|1,0,0]=3 20091 B13R1.280 CC1COCCCN1CCC(=O)N ceb6900627dfbe51f22dc970f9abcced [0,1,0,1,0,0|2,0,0]=4 20092 B13R1.280 CC1COCCCN1CCC(=O)O cba5bb0730ef6281a52187953a6f7147 [0,1,0,1,0,0|1,0,0]=3 20093 B13R1.280 NC(=O)CN[C@@H]1CCCCC[C@@H]1O 76e124e34e4365b78a60c0ee423eb038 [0,1,0,1,0,0|2,0,0]=4 20094 B13R1.280 NC(=O)CN[C@@H]1CCCCC[C@H]1O a08363823c5fddb74f29fadd87458c9c [0,1,0,1,0,0|2,0,0]=4 20095 B13R1.280 NC(=O)CN[C@H]1CCCCC[C@@H]1O 4e38886c8be3a8bffd2e0a359a20517f [0,1,0,1,0,0|2,0,0]=4 20096 B13R1.280 O=C(O)CN[C@@H]1CCCCC[C@@H]1O 49c1c55560994bdc62dc10af84166624 [0,1,0,1,0,0|1,0,0]=3 20097 B13R1.280 O=C(O)CN[C@@H]1CCCCC[C@H]1O b5b8e2478ba424834fb9e2d51ff8939f [0,1,0,1,0,0|1,0,0]=3 20098 B13R1.280 O=C(O)CN[C@H]1CCCCC[C@@H]1O 5db0b2eefd61baf6e065e9fbf83ec5a0 [0,1,0,1,0,0|1,0,0]=3 20099 B13R1.280 O=C(O)COC1CCCCCC1=O 1fe90659c5161d0c642945ff599c47c9 [0,1,0,1,0,0|1,0,1]=4 20100 B13R1.342 CC(=O)CCCN(C)C1CCCC1 8c5ac0303ec988b71f65ee7f5d876213 [0,1,0,1,0,0|2,0,0]=4 20101 B13R1.342 CC(=O)CCNC(C)C1CCCC1 86f45076eb0e5a75a9bd59c0bda7b535 [0,1,0,1,0,0|2,0,0]=4 20102 B13R1.342 CC(=O)CCOC(C)C1CCCC1 37f9a729110b85a3a62fcb5edd92e4af [0,1,0,1,0,0|2,0,0]=4 20103 B13R1.342 CC(CNCC(=O)O)N1CCCC1 49458141ce002bbabf74863ea75be66a [0,1,0,1,0,0|2,0,0]=4 20104 B13R1.342 CC(COCC(=O)O)N1CCCC1 d15071b13b21e3d0e31b90e38925f83e [0,1,0,1,0,0|2,0,0]=4 20105 B13R1.342 CC(NCCC(=O)N)C1CCCC1 6f239c5ab464edf83c62a912fd43170f [0,1,0,1,0,0|2,0,0]=4 20106 B13R1.342 CC(NCCC(=O)O)C1CCCC1 3c695de375dc3ce0274f247a0eee37de [0,1,0,1,0,0|1,0,0]=3 20107 B13R1.342 CC(NCCC(=O)O)C1CCCO1 a2de6c5af106d3ad9c833768543fc6e2 [0,1,0,1,0,0|2,0,0]=4 20108 B13R1.342 CC(OCCC(=O)N)C1CCCC1 dc5022db6f0bbcea694a28a015b841f4 [0,1,0,1,0,0|2,0,0]=4 20109 B13R1.342 CC(OCCC(=O)O)C1CCCC1 cb57728df4aaafc6ff63f500ed92be5d [0,1,0,1,0,0|1,0,0]=3 20110 B13R1.342 CC(OCCC(=O)O)C1CCOC1 fb204266aba1d48373d747d709c87973 [0,1,0,1,0,0|2,0,0]=4 20111 B13R1.342 CN(CCCC(=O)N)C1CCCC1 09f7469a4193a94cdf2a98c6c73ce453 [0,1,0,1,0,0|2,0,0]=4 20112 B13R1.342 C[C@@H](COCC(=O)O)N1CCCC1 33882169ab6885ea0178c0a6caf87e49 [0,1,0,1,0,0|2,0,0]=4 20113 B13R1.342 C[C@@H](NCCC(=O)O)C1CCOC1 604ca4192d6bfdcd3a263f41491b746a [0,1,0,1,0,0|2,0,0]=4 20114 B13R1.342 C[C@@H](OCCC(=O)O)[C@H]1CCCO1 21ad338e55b2673f72687c1cf728a003 [0,1,0,1,0,0|2,0,0]=4 20115 B13R1.342 C[C@H](NCCC(=O)O)[C@@H]1CCCO1 b13e180ee25dd37f88dcce06fdf36a74 [0,1,0,1,0,0|2,0,0]=4 20116 B13R1.342 O=C(O)CNCC(=O)C1CCCC1 93b575a94ab39d25102088ce24798d40 [0,1,0,1,0,0|1,0,1]=4 20117 B13R1.342 O=C(O)COCC(=O)C1CCCC1 c7fd0ea00aa0485dbf8080f622bdc26e [0,1,0,1,0,0|1,0,1]=4 20118 B13R1.356 CCCN1CC(CCC1C(=O)O)O 0267529542b45fc1fe32058ac99b1354 [0,1,0,1,0,0|1,0,0]=3 20119 B13R1.356 CCCN1C[C@H](CC[C@H]1C(=O)O)O 2783a17073967ff0979440dd9b80fc7e [0,1,0,1,0,0|1,0,0]=3 20120 B13R1.356 CCO[C@@H]1C[C@@H](CC[C@H]1C(=O)O)C 35c4cc4fcabc1ccd7e807b1c9af17d9c [0,1,0,1,0,0|1,0,0]=3 20121 B13R1.356 CCO[C@H]1C[C@@H](CC[C@H]1C(=O)O)C 0811e887fece22e9f39b114e4179e607 [0,1,0,1,0,0|1,0,0]=3 20122 B13R1.356 COCN1CC(CCC1C(=O)O)O fec7e9860869a05d7e28976695d4cc8e [0,1,0,1,0,0|2,0,0]=4 20123 B13R1.356 COCN1C[C@H](CC[C@H]1C(=O)O)O 5d75cacf658836fe6cbd99e1fefa9987 [0,1,0,1,0,0|2,0,0]=4 20124 B13R1.356 CSCN1CC(CCC1C(=O)O)O d2027bfb37049ed0c5b4cf002d0d5181 [0,1,0,1,0,0|2,0,0]=4 20125 B13R1.356 CSCN1C[C@H](CC[C@H]1C(=O)O)O 9a0e0b55ce7ced6347143140c4995a36 [0,1,0,1,0,0|2,0,0]=4 20126 B13R1.356 C[C@@H]1CC[C@H]([C@@H](C1)OCF)C(=O)O a2af0df911166406a27cb946651b83f9 [0,1,0,1,0,0|2,0,0]=4 20127 B13R1.356 C[C@@H]1CC[C@H]([C@H](C1)OCF)C(=O)O 50f989b9f5ace5ed923b59f0eb88fedb [0,1,0,1,0,0|2,0,0]=4 20128 B13R1.356 O=C(O)C1CCC(CN1CCF)O 8ead99dcc5a5fff579b5c661e58c82bf [0,1,0,1,0,0|2,0,0]=4 20129 B13R1.356 O=C(O)C1CCC(CN1CCO)O 4c201444e97d42f05be443e9cd322ce1 [0,1,0,1,0,0|2,0,0]=4 20130 B13R1.356 O=C(O)C1CCC(CN1CCS)O 78c834e3ef45c185900d7c4e2ab2b11b [0,1,0,1,0,0|2,0,0]=4 20131 B13R1.356 O=C(O)[C@@H]1CC[C@@H](CN1CCF)O b98fb6067bd45edb51866f498d07f60e [0,1,0,1,0,0|2,0,0]=4 20132 B13R1.356 O=C(O)[C@@H]1CC[C@@H](CN1CCO)O 554eae5222c34c45c7eea6fa20440eda [0,1,0,1,0,0|2,0,0]=4 20133 B13R1.356 O=C(O)[C@@H]1CC[C@@H](CN1CCS)O 2a30dd6de28770099a76843bff7d1aab [0,1,0,1,0,0|2,0,0]=4 20134 B13R1.658 CCCCCN1CCC(C1)C(=O)C ce779fe2a48db132873037b795dcd331 [0,1,0,1,0,0|2,0,0]=4 20135 B13R1.658 CCCCCN1CCC(C1)C(=O)N 5dd294b1cb747e27b3f5bac57893d1a4 [0,1,0,1,0,0|2,0,0]=4 20136 B13R1.658 CCCCCN1CCC(C1)C(=O)O f959ac60b2c526041d95f9c863039c38 [0,1,0,1,0,0|1,0,0]=3 20137 B13R1.658 CCCCCN1CC[C@@H](C1)C(=O)N 8b14a2bb627684f25525a27a9b39f97f [0,1,0,1,0,0|2,0,0]=4 20138 B13R1.658 CCCCCN1CC[C@@H](C1)C(=O)O 38db70d142491196e5862afaaf319d90 [0,1,0,1,0,0|1,0,0]=3 20139 B13R1.658 CCCCCN1CC[C@H](C1)C(=O)N d7de59cd73e5c63f25b7ae3c8abe61c6 [0,1,0,1,0,0|2,0,0]=4 20140 B13R1.658 CCCCCN1CC[C@H](C1)C(=O)O 3bf8dfa11a71b1a347c0d23dc09d1554 [0,1,0,1,0,0|1,0,0]=3 20141 B13R1.658 CCCCNC1CCC(C1)C(=O)N 5eecccdb023d9104e732725824d758dd [0,1,0,1,0,0|2,0,0]=4 20142 B13R1.658 CCCCNC1CCC(C1)C(=O)O b820dea5db8dca15756d268f8b1ac29b [0,1,0,1,0,0|1,0,0]=3 20143 B13R1.658 CCCCN[C@@H]1CC[C@@H](C1)C(=O)N 459baeee275b7ca2e4a075df65c4a834 [0,1,0,1,0,0|2,0,0]=4 20144 B13R1.658 CCCCN[C@@H]1CC[C@@H](C1)C(=O)O 8d722465533b15c6d88d52e2ad43db25 [0,1,0,1,0,0|1,0,0]=3 20145 B13R1.658 CCCCN[C@@H]1CC[C@H](C1)C(=O)N e7fb9be75654e433786ad93bf1656c8f [0,1,0,1,0,0|2,0,0]=4 20146 B13R1.658 CCCCN[C@@H]1CC[C@H](C1)C(=O)O 19056c131b09c11b63f6841baaa669f3 [0,1,0,1,0,0|1,0,0]=3 20147 B13R1.658 CCCCN[C@H]1CC[C@@H](C1)C(=O)N f263f4a83c49934def9a2b22424e624b [0,1,0,1,0,0|2,0,0]=4 20148 B13R1.658 CCCCN[C@H]1CC[C@@H](C1)C(=O)O 9708fb97ef2aa5f2613054dcede9d274 [0,1,0,1,0,0|1,0,0]=3 20149 B13R1.658 CCCCN[C@H]1CC[C@H](C1)C(=O)N e2cee9c64a24549a274917d5c0e3d0b7 [0,1,0,1,0,0|2,0,0]=4 20150 B13R1.658 CCCCN[C@H]1CC[C@H](C1)C(=O)O 14bf60006653cd43354bcfa7aacd8937 [0,1,0,1,0,0|1,0,0]=3 20151 B13R1.658 CCCCOC1CCC(C1)C(=O)O 6cce627162d3706661cbd8303405c154 [0,1,0,1,0,0|1,0,0]=3 20152 B13R1.658 CCCCOC1CSC(O1)C(=O)O 35c1ef1b6e6c7c08d65e92d23588f584 [0,1,0,1,0,0|2,0,0]=4 20153 B13R1.658 CCCCO[C@@H]1CC[C@@H](C1)C(=O)O bbcf2399dc0f5a69d62fd94cba7f0784 [0,1,0,1,0,0|1,0,0]=3 20154 B13R1.658 CCCCO[C@@H]1CC[C@H](C1)C(=O)O 13e287771a451a5f8b6e96264361e6ce [0,1,0,1,0,0|1,0,0]=3 20155 B13R1.658 CCCCO[C@H]1CC[C@@H](C1)C(=O)O 868ff3127d5fce4f3c883cd2ed06b5a2 [0,1,0,1,0,0|1,0,0]=3 20156 B13R1.658 CCCCO[C@H]1CC[C@H](C1)C(=O)O 28eeca1b83c571fcf8bfaccd895850c4 [0,1,0,1,0,0|1,0,0]=3 20157 B13R1.658 CCOCCN1CCC(C1)C(=O)O 4ac380dd6a7a41e4946e3e89aaa32182 [0,1,0,1,0,0|2,0,0]=4 20158 B13R1.658 CCOCCN1CC[C@@H](C1)C(=O)O 99bc5bc00dc81d72d3fd456f66462bbd [0,1,0,1,0,0|2,0,0]=4 20159 B13R1.658 CCOCCN1CC[C@H](C1)C(=O)O ba5d582294bf901a48586bf839bc2946 [0,1,0,1,0,0|2,0,0]=4 20160 B13R1.658 CCOCNC1CCC(C1)C(=O)O 997bd5812a5e7af4e761c55e9d1c6750 [0,1,0,1,0,0|2,0,0]=4 20161 B13R1.658 CCOCN[C@@H]1CC[C@@H](C1)C(=O)O 981d2b3eff55de4794215428ecefd316 [0,1,0,1,0,0|2,0,0]=4 20162 B13R1.658 CCOCN[C@@H]1CC[C@H](C1)C(=O)O c77bd80fec3e11176524ceacaad474d4 [0,1,0,1,0,0|2,0,0]=4 20163 B13R1.658 CCOCN[C@H]1CC[C@@H](C1)C(=O)O 5c69b031cdbaccbad214a34abf99aa6b [0,1,0,1,0,0|2,0,0]=4 20164 B13R1.658 CCOCN[C@H]1CC[C@H](C1)C(=O)O 407b060fe513d028e0abed78537bd834 [0,1,0,1,0,0|2,0,0]=4 20165 B13R1.658 CCSCCN1CCC(C1)C(=O)O 267ed8ae227215119dd9c0c160dbd5c8 [0,1,0,1,0,0|2,0,0]=4 20166 B13R1.658 CCSCCN1CC[C@@H](C1)C(=O)O 21392759013f7c606b578a56e97c57bf [0,1,0,1,0,0|2,0,0]=4 20167 B13R1.658 CCSCCN1CC[C@H](C1)C(=O)O bc8fefd5787afcc03e564482351e3a4b [0,1,0,1,0,0|2,0,0]=4 20168 B13R1.658 COCCCN1CCC(C1)C(=O)O b8cdddb4bc48d32ec73d52b0175c66db [0,1,0,1,0,0|2,0,0]=4 20169 B13R1.658 COCCCN1CC[C@@H](C1)C(=O)O 552e1911dc7e816d8c2d154f37cba5e7 [0,1,0,1,0,0|2,0,0]=4 20170 B13R1.658 COCCCN1CC[C@H](C1)C(=O)O ad7065fcc3688127126b27f91a2bc89a [0,1,0,1,0,0|2,0,0]=4 20171 B13R1.658 COCCNC1CCC(C1)C(=O)O ed691c916b642694b9e7f3113a434eba [0,1,0,1,0,0|2,0,0]=4 20172 B13R1.658 COCCN[C@@H]1CC[C@@H](C1)C(=O)O 3da9aec60a5e6c83ab8aa3696be8ce07 [0,1,0,1,0,0|2,0,0]=4 20173 B13R1.658 COCCN[C@@H]1CC[C@H](C1)C(=O)O 457d74696166e1dc68c211acf15d4c59 [0,1,0,1,0,0|2,0,0]=4 20174 B13R1.658 COCCN[C@H]1CC[C@@H](C1)C(=O)O 8dbbf8e0e64732a792050d0babf2aa03 [0,1,0,1,0,0|2,0,0]=4 20175 B13R1.658 COCCN[C@H]1CC[C@H](C1)C(=O)O 5256d12ad188e0cf566c493690c1d6b1 [0,1,0,1,0,0|2,0,0]=4 20176 B13R1.658 COCCOC1CCC(C1)C(=O)O b8e7bd226d33f2e480b7c295e3cfb060 [0,1,0,1,0,0|2,0,0]=4 20177 B13R1.658 COCCO[C@@H]1CC[C@@H](C1)C(=O)O d49751fec26ce3d63729ba44d5810a98 [0,1,0,1,0,0|2,0,0]=4 20178 B13R1.658 COCCO[C@@H]1CC[C@H](C1)C(=O)O 109c7ba6eee6ecbcaa0ad73f0dfaa7e1 [0,1,0,1,0,0|2,0,0]=4 20179 B13R1.658 COCCO[C@H]1CC[C@@H](C1)C(=O)O b04b365fcdf11bf21336720bbb2954d7 [0,1,0,1,0,0|2,0,0]=4 20180 B13R1.658 COCCO[C@H]1CC[C@H](C1)C(=O)O 95367447794fbb258e3ba150b818adce [0,1,0,1,0,0|2,0,0]=4 20181 B13R1.658 CSCCCN1CCC(C1)C(=O)O 8fa569b24f704d293b7ebca64b5c0417 [0,1,0,1,0,0|2,0,0]=4 20182 B13R1.658 CSCCCN1CC[C@@H](C1)C(=O)O 0ed4c7a5b006e60d5836946235ddd83f [0,1,0,1,0,0|2,0,0]=4 20183 B13R1.658 CSCCCN1CC[C@H](C1)C(=O)O 79cae8482cc459e1f5c703395f08670d [0,1,0,1,0,0|2,0,0]=4 20184 B13R1.658 CSCCNC1CCC(C1)C(=O)O 671f481257bf4b054df88ac450cb123f [0,1,0,1,0,0|2,0,0]=4 20185 B13R1.658 CSCCN[C@@H]1CC[C@@H](C1)C(=O)O 8f59e999cb5a6335786fd952aeff5822 [0,1,0,1,0,0|2,0,0]=4 20186 B13R1.658 CSCCN[C@@H]1CC[C@H](C1)C(=O)O b53707efb3482785fe292ccb7e2823ff [0,1,0,1,0,0|2,0,0]=4 20187 B13R1.658 CSCCN[C@H]1CC[C@@H](C1)C(=O)O 94f98ad01512f71c25f86c5ab5ae709c [0,1,0,1,0,0|2,0,0]=4 20188 B13R1.658 CSCCN[C@H]1CC[C@H](C1)C(=O)O a2742cd05a926e81006fdb8e82059e5c [0,1,0,1,0,0|2,0,0]=4 20189 B13R1.658 CSCCOC1CCC(C1)C(=O)O 921b69867965714ab8cb129eb5bf0845 [0,1,0,1,0,0|2,0,0]=4 20190 B13R1.658 CSCCO[C@@H]1CC[C@@H](C1)C(=O)O 90f41c639ae52d755d9c35a896abf024 [0,1,0,1,0,0|2,0,0]=4 20191 B13R1.658 CSCCO[C@@H]1CC[C@H](C1)C(=O)O 47f5c628611c826b2fbfb45e3756499d [0,1,0,1,0,0|2,0,0]=4 20192 B13R1.658 CSCCO[C@H]1CC[C@@H](C1)C(=O)O 418cee4ff8028dc455568a3da78376f5 [0,1,0,1,0,0|2,0,0]=4 20193 B13R1.658 CSCCO[C@H]1CC[C@H](C1)C(=O)O f7f95af3b1f29c51dfb268c211bc8097 [0,1,0,1,0,0|2,0,0]=4 20194 B13R1.658 O=C(O)C1CCC(C1)NCCCCl 118f50466da57e1342d1e1b31727658b [0,1,0,1,0,0|2,0,0]=4 20195 B13R1.658 O=C(O)C1CCC(C1)NCCCF 21de190112fdd3c39c3ee46b6a9aa6f7 [0,1,0,1,0,0|2,0,0]=4 20196 B13R1.658 O=C(O)C1CCC(C1)NCCCO cd3227392f51f3ee398214746d83a9c0 [0,1,0,1,0,0|2,0,0]=4 20197 B13R1.658 O=C(O)C1CCC(C1)NCCCS 2c60fbad4bdcc4ccf26c541aba67f09e [0,1,0,1,0,0|2,0,0]=4 20198 B13R1.658 O=C(O)C1CCC(C1)OCCCF 8cc68b1fb8d0bec0a973f0862341f1c1 [0,1,0,1,0,0|2,0,0]=4 20199 B13R1.658 O=C(O)C1CCC(C1)OCCCS 2a63a84414c926483cc92ad36a84f9d8 [0,1,0,1,0,0|2,0,0]=4 20200 B13R1.658 O=C(O)C1CCN(C1)CCCCF 0bb7ac14621b27ab2a6dd5fdcaa63b6a [0,1,0,1,0,0|2,0,0]=4 20201 B13R1.658 O=C(O)C1CCN(C1)CCCCO 34bcc3d9111f80db8bc4d01e8621468f [0,1,0,1,0,0|2,0,0]=4 20202 B13R1.658 O=C(O)[C@@H]1CCN(C1)CCCCF 5e25b772f7dcf14c8b3bf56dd777e8fe [0,1,0,1,0,0|2,0,0]=4 20203 B13R1.658 O=C(O)[C@@H]1CCN(C1)CCCCO ba3a0307d830158f9fe9c01a67302cde [0,1,0,1,0,0|2,0,0]=4 20204 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCF 76f74c9639c126d0c5f8ce02167e9093 [0,1,0,1,0,0|2,0,0]=4 20205 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCO 5ac9fb236de033437529e8f64e25a64e [0,1,0,1,0,0|2,0,0]=4 20206 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCS add7c3d2daa8901c880e7bae30c3858b [0,1,0,1,0,0|2,0,0]=4 20207 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)OCCCF 68ec00ab613dd1cfd3c9a65661a19cce [0,1,0,1,0,0|2,0,0]=4 20208 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)OCCCS 0a6ef61783057ca4c5c8099358bea5a7 [0,1,0,1,0,0|2,0,0]=4 20209 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)NCCCF 750eb75e01c58608c28bf5563bc4c4ad [0,1,0,1,0,0|2,0,0]=4 20210 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)NCCCO 915b736fd3c9410a72b3e62e682167ca [0,1,0,1,0,0|2,0,0]=4 20211 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)NCCCS 8558d00441d1ea085445cf2b2ba9aacb [0,1,0,1,0,0|2,0,0]=4 20212 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)OCCCF 15e36371f7af38d0c3e99901e1496a68 [0,1,0,1,0,0|2,0,0]=4 20213 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)OCCCS 3f88134fb4358c829ac8caebf5cff03e [0,1,0,1,0,0|2,0,0]=4 20214 B13R1.658 O=C(O)[C@H]1CCN(C1)CCCCF 28643880ca221cc53c9df6d73d72ab46 [0,1,0,1,0,0|2,0,0]=4 20215 B13R1.658 O=C(O)[C@H]1CCN(C1)CCCCO edb3eabf86c78947aa6036987ddebf74 [0,1,0,1,0,0|2,0,0]=4 20216 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)NCCCF 3fff4573b062bf221ad44085ecc46186 [0,1,0,1,0,0|2,0,0]=4 20217 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)NCCCO bc17e8ef003441ce28df317fbdb828ab [0,1,0,1,0,0|2,0,0]=4 20218 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)NCCCS 4860f712aab13534dc916d7bbd5d88f1 [0,1,0,1,0,0|2,0,0]=4 20219 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)OCCCF bf19c2859cbe369fb8c128734e611d99 [0,1,0,1,0,0|2,0,0]=4 20220 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)OCCCS 00f9fe1fb36015ef87a681ef479033e3 [0,1,0,1,0,0|2,0,0]=4 20221 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)NCCCF b13c6973dd05818b5d942d4cac87d3e6 [0,1,0,1,0,0|2,0,0]=4 20222 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)NCCCO c7ce432e9320fe72d9ba1691c2970e10 [0,1,0,1,0,0|2,0,0]=4 20223 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)NCCCS a23eb77bba7c45aa3fbe227f8ee7a44d [0,1,0,1,0,0|2,0,0]=4 20224 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)OCCCF fa42bedd42ef41440660ded80d551219 [0,1,0,1,0,0|2,0,0]=4 20225 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)OCCCS eb68d3fc94fd648ff1f6c1d4a4581336 [0,1,0,1,0,0|2,0,0]=4 20226 B13R1.727 CCCCCC(C)NC1CC(=O)C1 a63df2a44464e3b68f835f9873b9ec8f [0,1,0,1,0,0|2,0,0]=4 20227 B13R1.727 CCCCC[C@H](C)NC1CC(=O)C1 b6f8b6cb8a76dd32b524bdcc733d8c9e [0,1,0,1,0,0|2,0,0]=4 20228 B13R1.727 CCOCCN(C)CC1CC(=O)O1 1660b4387aafdb0c705d22e5438cde38 [0,1,0,1,0,0|2,0,0]=4 20229 B13R1.727 CN(CCCCO)CC1CC(=O)O1 0d523b028a6a391578fbb787bfb7ed69 [0,1,0,1,0,0|2,0,0]=4 20230 B13R1.1047 CC(=O)CCCN(C)CC1CCC1 ff3bd70310cd0bbe5adbd3353bcc1f2e [0,1,0,1,0,0|2,0,0]=4 20231 B13R1.1047 CN(CCCC(=O)N)CC1CCC1 3c289630b8c57cafb7d34e3e533dc6d9 [0,1,0,1,0,0|2,0,0]=4 20232 B13R1.1047 CN(CCCC(=O)O)CC1CCC1 ff89cb52834afd22a5c39efbf86042c6 [0,1,0,1,0,0|1,0,0]=3 20233 B13R1.1047 CN(CCCC(=O)O)CC1CCO1 027995dac8c339162b3a473263f1a2b9 [0,1,0,1,0,0|2,0,0]=4 20234 B13R1.1047 CN(CCCC(=O)O)CC1COC1 2a8e2ee4ce3e623f4499c795a0d7e5cc [0,1,0,1,0,0|2,0,0]=4 20235 B13R1.1047 CN(CCCC(=O)O)C[C@@H]1CCO1 6cf19adb34590b00ca13da04e39318bd [0,1,0,1,0,0|2,0,0]=4 20236 B13R1.1047 CN(CCCC(=O)O)C[C@H]1CCO1 2f5b5c3ad5928f36cf72a25a55042c2b [0,1,0,1,0,0|2,0,0]=4 20237 B13R1.1048 CN(CCCC(=O)N)CCC1CC1 99fea3cf190d923112e7d518fea081af [0,1,0,1,0,0|2,0,0]=4 20238 B13R1.1048 CN(CCCC(=O)O)CCC1CC1 c821e8d8906bbc6fc823edbdbe70d1b3 [0,1,0,1,0,0|1,0,0]=3 20239 B13R1.1141 C=CCCC[C@@H]1C[C@H]1OCC(=O)O af1bb6e8fd48ef0852bef849a5ce380e [0,1,0,1,0,0|0,0,2]=4 20240 B13R1.1149 CCCCCN1CCCC(=O)CC1 12a6823eb8fdba3e21f92ad63532f9c3 [0,1,0,1,0,0|2,0,0]=4 20241 B13R1.1149 CCCCOC1CCCC(=O)NC1 f7a47c629dd01d16abbc3c3ecb95cfae [0,1,0,1,0,0|2,0,0]=4 20242 B13R1.1149 CCCOCC1CCNC(=O)CO1 a7bdc3f9a63b9b92d001653018f9563d [0,1,0,1,0,0|2,0,0]=4 20243 B13R1.1988 C=C(Br)CCOC1CCCCCC1 526bfd40d09c14d7036d5f981b93a1ce [0,1,0,1,0,0|2,0,0]=4 20244 B13R1.1988 C=C(Br)CNCC1CCCCCC1 af110d6d1bfce456a585cbc0cd9f02d8 [0,1,0,1,0,0|2,0,0]=4 20245 B13R1.1988 C=C(Br)COCC1CCCCCC1 5a56bafe7cc49ac3ca92c17739bd61d8 [0,1,0,1,0,0|2,0,0]=4 20246 B13R1.1988 C=C(C)CCCN1CCCCCC1 d96452eb24b8e1e4af829c9f5cbbf490 [0,1,0,1,0,0|2,0,0]=4 20247 B13R1.1988 C=C(C)CCNC1CCCCCC1 ff835d641957b0892f1ed6253a58d4f3 [0,1,0,1,0,0|2,0,0]=4 20248 B13R1.1988 C=C(C)CCOC1CCCCCC1 bb4a8ad6a2a06cd9e0186250687d9a3e [0,1,0,1,0,0|2,0,0]=4 20249 B13R1.1988 C=C(C)CNCC1CCCCCC1 63390056effee502d1a532f5af5b3cbb [0,1,0,1,0,0|2,0,0]=4 20250 B13R1.1988 C=C(C)COCC1CCCCCC1 27a5bc6ce4ff7a67161f8c766bd81bbc [0,1,0,1,0,0|2,0,0]=4 20251 B13R1.1988 C=C(Cl)CNCC1CCCCCC1 e0430a2de8aed3528c7902d7408c4270 [0,1,0,1,0,0|2,0,0]=4 20252 B13R1.1988 C=C(Cl)COCC1CCCCCC1 1cb740e8212891451435dcf838c714dd [0,1,0,1,0,0|2,0,0]=4 20253 B13R1.1988 C=C(F)CNCC1CCCCCC1 aca44152bd586d376713258ac41d767a [0,1,0,1,0,0|2,0,0]=4 20254 B13R1.1988 C=C(F)COCC1CCCCCC1 cb923e79545e3ec16de3ced73cd3a85f [0,1,0,1,0,0|2,0,0]=4 20255 B13R1.1988 C=C(I)COCC1CCCCCC1 f8c236d325aeae56fb111139d7176d73 [0,1,0,1,0,0|2,0,0]=4 20256 B13R1.1988 CC(=O)CCCN1CCCCCC1 5e834cf4fef9fc7d36f0f335d82867e8 [0,1,0,1,0,0|1,0,0]=3 20257 B13R1.1988 CC(=O)CCCN1CCCOCC1 433cc928d4825ae7a3cbb63cdb7f54c5 [0,1,0,1,0,0|2,0,0]=4 20258 B13R1.1988 CC(=O)CCNC1CCCCCC1 13ca331e58b790dcb3c60e7974f3fd86 [0,1,0,1,0,0|1,0,0]=3 20259 B13R1.1988 CC(=O)CCNC1CCCOCC1 111b566a7de3d1cf94858c44a7f033c8 [0,1,0,1,0,0|2,0,0]=4 20260 B13R1.1988 CC(=O)CCOC1CCCCCC1 ef9a2e6bd369585408cb1685ae54ea83 [0,1,0,1,0,0|1,0,0]=3 20261 B13R1.1988 CC(=O)CCOC1CCCOCC1 40b93d77e2d4d4061873ab751f490f21 [0,1,0,1,0,0|2,0,0]=4 20262 B13R1.1988 CC(=O)CNCC1CCCCCC1 d8b16388775849e6cc095d458b7a2138 [0,1,0,1,0,0|1,0,0]=3 20263 B13R1.1988 CC(=O)COCC1CCCCCC1 9acf124b47c1412004cf89ddea82ce09 [0,1,0,1,0,0|1,0,0]=3 20264 B13R1.1988 CC(=O)NCCC1CCCCCC1 1390abe9276021635d4d4fa1d93352cd [0,1,0,1,0,0|1,0,0]=3 20265 B13R1.1988 CC(=O)NCCN1CCCCCC1 3fc36d8f92da2f0066053775407adf19 [0,1,0,1,0,0|2,0,0]=4 20266 B13R1.1988 CC(=O)NCOC1CCCCCC1 258dec942e41277fbaa3f29f0e38e1e3 [0,1,0,1,0,0|2,0,0]=4 20267 B13R1.1988 CC(=O)OCCN1CCCCCC1 5677f4b0701d68f57f4775bb86bdee95 [0,1,0,1,0,0|2,0,0]=4 20268 B13R1.1988 CC(=O)OCNC1CCCCCC1 ba1c84de8db383c13df2e80369601bbd [0,1,0,1,0,0|2,0,0]=4 20269 B13R1.1988 CC(=O)OCOC1CCCCCC1 eade90ab385e2b9b9ea9e7dc37deb1ea [0,1,0,1,0,0|2,0,0]=4 20270 B13R1.1988 CC(=O)SCCN1CCCCCC1 65a8c3e5e7b5a7d7156698849381568d [0,1,0,1,0,0|2,0,0]=4 20271 B13R1.1988 CC(O)CCCN1CCCCCC1 5a8c7d664e88a7f7afd4987c3f87a309 [0,1,0,1,0,0|1,0,1]=4 20272 B13R1.1988 CC(O)CCNC1CCCCCC1 c1e3e2c105787c8414dd6778a37fb5be [0,1,0,1,0,0|1,0,1]=4 20273 B13R1.1988 CC(O)CNCC1CCCCCC1 691e6ec02206fc582c49fee1a3ae7b03 [0,1,0,1,0,0|1,0,1]=4 20274 B13R1.1988 CS(=O)CCNC1CCCCCC1 cfb37ccb0ee91ee400bb5793c4380550 [0,1,0,1,0,0|2,0,0]=4 20275 B13R1.1988 CS(=O)CCOC1CCCCCC1 7011ddb4e790a02c86189bbf34a94df2 [0,1,0,1,0,0|2,0,0]=4 20276 B13R1.1988 C[C@@H](O)CCNC1CCCCCC1 5ba735c89c1bae6f3bc567885acf5444 [0,1,0,1,0,0|1,0,1]=4 20277 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 48415738e536ac8e2b1a337918a27be6 [0,1,0,1,0,0|1,0,1]=4 20278 B13R1.1988 C[C@H](O)CCNC1CCCCCC1 fabc3bb461034e4f545c1d8a94c4248e [0,1,0,1,0,0|1,0,1]=4 20279 B13R1.1988 C[C@H](O)CNCC1CCCCCC1 bbb758185a80c0a63aff2e6e97985379 [0,1,0,1,0,0|1,0,1]=4 20280 B13R1.1988 NC(=O)CCCN1CCCCCC1 9cc25c5ec7e4716e548fdc3545d7a5f3 [0,1,0,1,0,0|1,0,0]=3 20281 B13R1.1988 NC(=O)CCCN1CCCOCC1 1c861fcbfcdbe85ed27333b9dcd52460 [0,1,0,1,0,0|2,0,0]=4 20282 B13R1.1988 NC(=O)CCNC1CCCCCC1 2611273d4804ae45c737f0ae693eb68b [0,1,0,1,0,0|1,0,0]=3 20283 B13R1.1988 NC(=O)CCNC1CCCOCC1 5be4510e7cf84aa95e50498bf1560929 [0,1,0,1,0,0|2,0,0]=4 20284 B13R1.1988 NC(=O)CCOC1CCCCCC1 54e0c7363ff2da58fb44c1edf47b6711 [0,1,0,1,0,0|1,0,0]=3 20285 B13R1.1988 NC(=O)CCOC1CCCOCC1 463a0d9f2fbcb5f1329d1284217a0d7a [0,1,0,1,0,0|2,0,0]=4 20286 B13R1.1988 NC(=O)CNCC1CCCCCC1 4505fdf3dd3307b94f01bc5204989ce4 [0,1,0,1,0,0|1,0,0]=3 20287 B13R1.1988 NC(=O)COCC1CCCCCC1 c2f1a96ca7d30d1945e1dfb240935e3f [0,1,0,1,0,0|1,0,0]=3 20288 B13R1.1988 NC(=O)NCCN1CCCCCC1 ba75847eed95caa034a5ed45eff929cd [0,1,0,1,0,0|2,0,0]=4 20289 B13R1.1988 NC(=O)NCOC1CCCCCC1 36a1f1a13a83b12472f0073f7770fa77 [0,1,0,1,0,0|2,0,0]=4 20290 B13R1.1988 NC(=O)SCNC1CCCCCC1 9ebf2f706010e9c40e732b57df2e25c1 [0,1,0,1,0,0|2,0,0]=4 20291 B13R1.1988 NC(=O)SCOC1CCCCCC1 8a2cfbd4ac759b9213cf4c5b5d4e8c31 [0,1,0,1,0,0|2,0,0]=4 20292 B13R1.1988 NC(=S)CCNC1CCCCCC1 c703ac5061fdecc4a8ed79228485d4eb [0,1,0,1,0,0|1,1,0]=4 20293 B13R1.1988 NC(=S)COCC1CCCCCC1 009d0757aed17dc173609908335271a7 [0,1,0,1,0,0|1,1,0]=4 20294 B13R1.1988 O=C(O)/C=C/CN1CCCCCC1 9beeb129d8fc364d6a06f2ce479f8a3b [0,1,0,1,0,0|0,0,2]=4 20295 B13R1.1988 O=C(O)C=CCN1CCCCCC1 5e37a7b6e44714d351a56993a7130b71 [0,1,0,1,0,0|0,0,2]=4 20296 B13R1.1988 O=C(O)CCNC1CCC=CCC1 0feec5d7372d8c8d55cbdc56196c6a7f [0,1,0,1,0,0|0,0,2]=4 20297 B13R1.1988 O=C(O)CCNC1CCCCCC1 51bae8bd8ca06ecb222203d37d82a38a [0,1,0,1,0,0|0,0,0]=2 20298 B13R1.1988 O=C(O)CCNC1CCCOCC1 76ad564cb55cf204647f57df83e94aed [0,1,0,1,0,0|1,0,0]=3 20299 B13R1.1988 O=C(O)CCOC1CCCCCC1 83377bc176c2f458b0089e2ea5f2a7a2 [0,1,0,1,0,0|0,0,0]=2 20300 B13R1.1988 O=C(O)CCOC1CCCOCC1 07a913326860b1fde74682b99e1da07b [0,1,0,1,0,0|1,0,0]=3 20301 B13R1.1988 O=C(O)CCOC1COCCOC1 e86d833a2622efaa50cd46cd745eeb4d [0,1,0,1,0,0|2,0,0]=4 20302 B13R1.1988 O=C(O)CNCC1CCCCCC1 b81c26e321048c84da841e7c0538bc42 [0,1,0,1,0,0|0,0,0]=2 20303 B13R1.1988 O=C(O)CNCC1COCCOC1 a37cc0008b0b242d283874dd94c9851b [0,1,0,1,0,0|2,0,0]=4 20304 B13R1.1988 O=C(O)COCC1CCCCCC1 09f27392c9363f19623c7a83beb1c055 [0,1,0,1,0,0|0,0,0]=2 20305 B13R1.1988 O=C(O)COCC1COCCOC1 a8380331dc256f36aeac047f1e9f8a5e [0,1,0,1,0,0|2,0,0]=4 20306 B13R1.1988 O=S(O)CCNC1CCCCCC1 4a5ea46a402006f4d20e31207df1adb8 [0,1,0,1,0,0|1,0,0]=3 20307 B13R1.1988 O=S(O)CCNC1CCCOCC1 b3e57f862bb752bb2bd81b6bb6369252 [0,1,0,1,0,0|2,0,0]=4 20308 B13R1.1988 O=S(O)COCC1CCCCCC1 387058646d538475a51a384a948c701a [0,1,0,1,0,0|1,0,0]=3 20309 B13R1.1988 O=[N+]([O-])CCCN1CCCCCC1 fcd3ae53a96f6f5f87f5dd760ff03391 [0,1,0,1,0,0|1,0,1]=4 20310 B13R1.1988 O=[N+]([O-])CCOC1CCCCCC1 d61b8632b4d1ca19a561e1522af7f28a [0,1,0,1,0,0|1,0,1]=4 20311 B13R1.1988 O=[N+]([O-])CNCC1CCCCCC1 777f72b923a574eaba7811e22d2e43c3 [0,1,0,1,0,0|1,0,1]=4 20312 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 dd456ea59827a726031e539ee20a54a1 [0,1,0,1,0,0|1,0,1]=4 20313 B13R1.2744 CCCCCN(C)[C@@H]1C[C@@H]1C(=O)O 56811d80ac5767697432fb5f4040c679 [0,1,0,1,0,0|1,0,0]=3 20314 B13R1.2744 CCCCCN(C)[C@H]1C[C@@H]1C(=O)O 7f779e2dea81f7bbafee74009077256a [0,1,0,1,0,0|1,0,0]=3 20315 B13R1.2744 CCCCCN(C)[C@H]1C[C@H]1C(=O)O a5310ec0cc9cd978a396be588ed798e1 [0,1,0,1,0,0|1,0,0]=3 20316 B13R1.2744 CCOCCN(C)[C@@H]1C[C@@H]1C(=O)O ee76b44103274eb9e060bbecb0cf0640 [0,1,0,1,0,0|2,0,0]=4 20317 B13R1.2744 CCOCCN(C)[C@H]1C[C@@H]1C(=O)O 95062b609698f0258c2361b82d5e7651 [0,1,0,1,0,0|2,0,0]=4 20318 B13R1.2744 CCOCCN(C)[C@H]1C[C@H]1C(=O)O 8ebb2f768cf6e347496a0af7e42575fc [0,1,0,1,0,0|2,0,0]=4 20319 B13R1.2744 CN(CCCCO)[C@@H]1C[C@@H]1C(=O)O 962dc422271b4f90db28bab260f6bca4 [0,1,0,1,0,0|2,0,0]=4 20320 B13R1.2744 CN(CCCCO)[C@H]1C[C@@H]1C(=O)O 5b083e9de31abc3cfe891eb22ec7e326 [0,1,0,1,0,0|2,0,0]=4 20321 B13R1.2744 CN(CCCCO)[C@H]1C[C@H]1C(=O)O 93266135229f6330e398b7c495350b43 [0,1,0,1,0,0|2,0,0]=4 20322 B13R1.2744 COCCCN(C)[C@@H]1C[C@@H]1C(=O)O 5c671ca0d5cb1d905c7a45c7c1f3cd55 [0,1,0,1,0,0|2,0,0]=4 20323 B13R1.2744 COCCCN(C)[C@H]1C[C@@H]1C(=O)O 96b2997ba7f7faa9ae079a82537056a5 [0,1,0,1,0,0|2,0,0]=4 20324 B13R1.2744 COCCCN(C)[C@H]1C[C@H]1C(=O)O 26cc24706511765bb4b4c517126ec165 [0,1,0,1,0,0|2,0,0]=4 20325 B13R1.3089 CCC1COC(CN1CC(=O)O)C f4d8a92e29c901fa77f9d5cbd1e933d0 [0,1,0,1,0,0|2,0,0]=4 20326 B13R1.3386 CCCCN1C(SCC1C(=O)O)C 68171fb612eea35668b21de0ba805e47 [0,1,0,1,0,0|2,0,0]=4 20327 B13R1.3566 CN1CCC[C@@]1(C)COCC(=O)O 31f71b8d3641bc515d3c75d266c8b98d [0,1,0,1,0,0|2,0,0]=4 20328 B13R1.3787 CC(=O)CCN1C(CCCC1C)C fe27175243a46166fb42b3b4cf097a0e [0,1,0,1,0,0|2,0,0]=4 20329 B13R1.3787 CC(=O)CCN1[C@@H](CCC[C@@H]1C)C 6649b4b33f5305a634440c95b05255fa [0,1,0,1,0,0|2,0,0]=4 20330 B13R1.3787 CC(=O)CCN1[C@@H](CCC[C@H]1C)C 99d7981cf184dde95749befc82c1f0ac [0,1,0,1,0,0|2,0,0]=4 20331 B13R1.3787 CC(=O)CCN1[C@H](CCC[C@@H]1C)C 4dc7c5b496a256e00e2d57fa59c46fab [0,1,0,1,0,0|2,0,0]=4 20332 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 117062ce525d956c92f00eb4df19c395 [0,1,0,1,0,0|2,0,0]=4 20333 B13R1.3787 CC1CCCC(C1OCC(=O)O)C 3f522c783e29b5f3fa6b113cb04ef183 [0,1,0,1,0,0|1,0,0]=3 20334 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 9b988d86212087e47627be37afa0dbe8 [0,1,0,1,0,0|2,0,0]=4 20335 B13R1.3787 CC1CCCC(N1CCC(=O)O)C 1b07bd4f0a4840b6eb52206f411e44b4 [0,1,0,1,0,0|1,0,0]=3 20336 B13R1.3787 CC1COCC(N1CCC(=O)O)C 87ef557fd362c66c8ea3c61ffc271d23 [0,1,0,1,0,0|2,0,0]=4 20337 B13R1.3787 C[C@@H]1CCC[C@@H](N1CCC(=O)N)C 414438bef27819aaedcc7d7e348f2326 [0,1,0,1,0,0|2,0,0]=4 20338 B13R1.3787 C[C@@H]1CCC[C@@H](N1CCC(=O)O)C d0c8165b1a604a2119ce8843831dd2a6 [0,1,0,1,0,0|1,0,0]=3 20339 B13R1.3787 C[C@@H]1CCC[C@H](N1CCC(=O)N)C 2f36d88d624973f06bae09faaf1b7e2c [0,1,0,1,0,0|2,0,0]=4 20340 B13R1.3787 C[C@@H]1CCC[C@H](N1CCC(=O)O)C 9828d1200d5ee62f08b3de331a1f67ce [0,1,0,1,0,0|1,0,0]=3 20341 B13R1.3787 C[C@@H]1COC[C@@H](N1CCC(=O)O)C 5b73d63f9758e9a3511a431ef5671c76 [0,1,0,1,0,0|2,0,0]=4 20342 B13R1.3787 C[C@@H]1COC[C@H](N1CCC(=O)O)C d28745470e36dcda52ee2a8e782c4616 [0,1,0,1,0,0|2,0,0]=4 20343 B13R1.3787 C[C@H]1CCC[C@@H](N1CCC(=O)N)C 096a199052827d76a85a975470c71870 [0,1,0,1,0,0|2,0,0]=4 20344 B13R1.3787 C[C@H]1CCC[C@@H](N1CCC(=O)O)C ff8915711aa9348aaf44189c518c526e [0,1,0,1,0,0|1,0,0]=3 20345 B13R1.3787 C[C@H]1COC[C@@H](N1CCC(=O)O)C 12f9c47db7648eb8382212c5d5b7c775 [0,1,0,1,0,0|2,0,0]=4 20346 B13R1.3787 O=C(O)CN[C@H]1[C@@H](CCC[C@@H]1O)O 923a5ffb414e616b4673fcfc168997ec [0,1,0,1,0,0|2,0,0]=4 20347 B13R1.5134 CC(=O)CCNC1(CCCCC1)C d000a22bdb2cd5ee3d3b0f059a7dadb3 [0,1,0,1,0,0|2,0,0]=4 20348 B13R1.5134 CC(=O)CNCC1(CCCCC1)C b62c075a451d2c46a88b31d28476c616 [0,1,0,1,0,0|2,0,0]=4 20349 B13R1.5134 CC(=O)COCC1(CCCCC1)C 6069306682003aae697d481e8ca7d69a [0,1,0,1,0,0|2,0,0]=4 20350 B13R1.5134 CC(=O)NCCC1(CCCCC1)O fee27df19ba439b4c910f66ae54c2f81 [0,1,0,1,0,0|2,0,0]=4 20351 B13R1.5134 CC1(CCCCC1)CNCC(=O)N cafa693f5864fd57b0a991ab14bd535e [0,1,0,1,0,0|2,0,0]=4 20352 B13R1.5134 CC1(CCCCC1)CNCC(=O)O 8490bead94ca67cb444bf2abda6ed764 [0,1,0,1,0,0|1,0,0]=3 20353 B13R1.5134 CC1(CCCCC1)COCC(=O)N 991350299b9e5e8be5db27b2394e627d [0,1,0,1,0,0|2,0,0]=4 20354 B13R1.5134 CC1(CCCCC1)COCC(=O)O c3c888256941d77447c54f36dcc6f699 [0,1,0,1,0,0|1,0,0]=3 20355 B13R1.5134 CC1(CCCCC1)COCS(=O)O 2522d90918db32db73eb17b0c40785ba [0,1,0,1,0,0|2,0,0]=4 20356 B13R1.5134 CC1(CCCCC1)NCCC(=O)N 64c6f1a0c319607f5728521b68a90620 [0,1,0,1,0,0|2,0,0]=4 20357 B13R1.5134 CC1(CCCCC1)NCCC(=O)O 5cce9f026510e3e69ab9de77f71a4c3b [0,1,0,1,0,0|1,0,0]=3 20358 B13R1.5134 CC1(CCOCC1)CNCC(=O)O 8fde4aae0ba1f23f61a72313910ab82a [0,1,0,1,0,0|2,0,0]=4 20359 B13R1.5134 CC1(CCOCC1)COCC(=O)O 6218ab0b3a106c55e0672d3cd7505658 [0,1,0,1,0,0|2,0,0]=4 20360 B13R1.5134 CC1(CCOCC1)NCCC(=O)O d60df379f4fa941023d0b6e2c77f5341 [0,1,0,1,0,0|2,0,0]=4 20361 B13R1.5134 NC(=O)CNCC1(CCCCC1)O 3d8b0bb90d50721fdf42fda20762764a [0,1,0,1,0,0|2,0,0]=4 20362 B13R1.5134 NC(=O)COCC1(CCCCC1)F a5c661156469266a57183e207d224cd8 [0,1,0,1,0,0|2,0,0]=4 20363 B13R1.5134 O=C(O)CNCC1(CCCCC1)O e3378db4e1cd65dd306fab15f8ff03fa [0,1,0,1,0,0|1,0,0]=3 20364 B13R1.5134 O=C(O)CNCC1(CCOCC1)F cbfcc567e944b90f8975610fced40b0a [0,1,0,1,0,0|2,0,0]=4 20365 B13R1.5134 O=C(O)CNCC1(CCOCC1)O 0e014fceeb6e16b0f56291066379dff9 [0,1,0,1,0,0|2,0,0]=4 20366 B13R1.5134 O=C(O)CNCC1(CCSCC1)O e6326920bde54b15d064a86df28dd11a [0,1,0,1,0,0|2,0,0]=4 20367 B13R1.5134 O=C(O)COCC1(CCCCC1)F 61633f7ddb24e0bd490e58e947d34abc [0,1,0,1,0,0|1,0,0]=3 20368 B13R1.5134 O=C(O)COCC1(CCCOC1)F 9413862f287c4bde3e70cdafaef6b582 [0,1,0,1,0,0|2,0,0]=4 20369 B13R1.5134 O=C(O)COCC1(CCOCC1)F a42e4d3280dd14c0b7ca2891c9c0ac30 [0,1,0,1,0,0|2,0,0]=4 20370 B13R1.6 CCCCCCN1CCCC(=O)C1 bb46bfa9e79877aff95a0f89ed3859de [0,1,0,1,0,0|1,0,0]=3 20371 B13R1.6 CCCCCCN1CCCC(C1)O 6edbc2fb3c2943aa61edeb1446d822c1 [0,1,0,1,0,0|1,0,1]=4 20372 B13R1.6 CCCCCCN1CCC[C@@H](C1)O 387fa201f7574f508a6f61a9ab4eee9d [0,1,0,1,0,0|1,0,1]=4 20373 B13R1.6 CCCCCCN1CCC[C@H](C1)O e4a999f7c458c1449a3cd1d67b88625d [0,1,0,1,0,0|1,0,1]=4 20374 B13R1.6 CCCCCCN1CCNC(=O)C1 cba30a18a294b3be9b1786db2936a1b7 [0,1,0,1,0,0|2,0,0]=4 20375 B13R1.6 CCCCCCN1CCOC(=O)C1 cd0966c31e6bdf74c976738e13f992c9 [0,1,0,1,0,0|2,0,0]=4 20376 B13R1.6 CCCCCNC1CCCC(=O)C1 f4adbee4bc7bf8035cf9711c7c626d81 [0,1,0,1,0,0|1,0,0]=3 20377 B13R1.6 CCCCCNC1CCCC(C1)O c256f2daa23598bfce245448e4d37055 [0,1,0,1,0,0|1,0,1]=4 20378 B13R1.6 CCCCCNC1CCNC(=O)C1 e04038718dd4f2f9e9bd4ebd0255a2c7 [0,1,0,1,0,0|2,0,0]=4 20379 B13R1.6 CCCCCN[C@@H]1CCC[C@@H](C1)O 62dcbd4e8c566b1798de648e2e9ba915 [0,1,0,1,0,0|1,0,1]=4 20380 B13R1.6 CCCCCN[C@@H]1CCC[C@H](C1)O 0b86f92de0dcb6633ad3ba1dc7ff458d [0,1,0,1,0,0|1,0,1]=4 20381 B13R1.6 CCCCCN[C@@H]1CCNC(=O)C1 38fd456ebf490860fe1435a07a9718c2 [0,1,0,1,0,0|2,0,0]=4 20382 B13R1.6 CCCCCN[C@H]1CCC[C@@H](C1)O 00914c101cce0ebc50035f4b4044f89d [0,1,0,1,0,0|1,0,1]=4 20383 B13R1.6 CCCCCN[C@H]1CCC[C@H](C1)O 123de14985f892753d7785992b8bb61d [0,1,0,1,0,0|1,0,1]=4 20384 B13R1.6 CCCCCN[C@H]1CCNC(=O)C1 461276802aa006b642135abfe75c0e82 [0,1,0,1,0,0|2,0,0]=4 20385 B13R1.6 CCCCCOC1=CC(=O)CCC1 9cc40e8a9c314872c6e6f7594414cf08 [0,1,0,1,0,0|1,0,1]=4 20386 B13R1.6 CCCCCOC1C=C(CCC1)C 6687f86ea76eb81b9e5b003f88e2cf35 [0,1,0,1,0,0|2,0,0]=4 20387 B13R1.6 CCCCCOC1CCCC(=O)C1 4c0bf9a524c1874a0dd45767b0c699db [0,1,0,1,0,0|1,0,0]=3 20388 B13R1.6 CCCCCOC1CCNC(=O)C1 3eb8c4c432c76c93aeb3dda6f0e3d100 [0,1,0,1,0,0|2,0,0]=4 20389 B13R1.6 CCCCCO[C@@H]1CCNC(=O)C1 0eaa272342bc06c80b66ad8eb4ebfe53 [0,1,0,1,0,0|2,0,0]=4 20390 B13R1.6 CCCCCO[C@H]1CCNC(=O)C1 032baab9860ea188cadcf13391bc3802 [0,1,0,1,0,0|2,0,0]=4 20391 B13R1.6 CCCCNCC1CCCC(=O)N1 89482884f60a8de78f6ebb72c45d0beb [0,1,0,1,0,0|1,0,0]=3 20392 B13R1.6 CCCCNCC1CCCC(C1)O 9b1c81d7d049d0ca59933c053bc1222a [0,1,0,1,0,0|1,0,1]=4 20393 B13R1.6 CCCCNCC1CCNC(=O)C1 8b747b7ff244d5fdcc29e8627a73cc84 [0,1,0,1,0,0|2,0,0]=4 20394 B13R1.6 CCCCNC[C@H]1CCC[C@H](C1)O 12f0d195958fbd949a9f5ec8234e0eea [0,1,0,1,0,0|1,0,1]=4 20395 B13R1.6 CCCCOCC1CCCC(=O)C1 4237d4e470698d994b85f6ae2b60d298 [0,1,0,1,0,0|1,0,0]=3 20396 B13R1.6 CCCCOCC1CCCC(=O)N1 babe5f789fdc20f812570a13c2b04c6c [0,1,0,1,0,0|1,0,0]=3 20397 B13R1.6 CCCCOCC1CCNC(=O)C1 c379e0800acfb4f42f494870035e3f83 [0,1,0,1,0,0|2,0,0]=4 20398 B13R1.6 CCCCOCC1COCC(=O)N1 6ed7641dd6e04ce6432845f698bc7eb2 [0,1,0,1,0,0|2,0,0]=4 20399 B13R1.6 CCCCOCN1CCCC(=O)C1 4d03baba74306d3bae698ed67ca43eea [0,1,0,1,0,0|2,0,0]=4 20400 B13R1.6 CCCCOC[C@@H]1CCCC(=O)N1 7083870063003620c1c86e04d1fdc8b7 [0,1,0,1,0,0|1,0,0]=3 20401 B13R1.6 CCCCOC[C@@H]1COCC(=O)N1 0f7bb28bfa8a5a32de5ac3b0ef070216 [0,1,0,1,0,0|2,0,0]=4 20402 B13R1.6 CCCCOC[C@H]1CCCC(=O)N1 0c12a9d68e4ce050b7f5e6d8f632c068 [0,1,0,1,0,0|1,0,0]=3 20403 B13R1.6 CCCCOC[C@H]1COCC(=O)N1 013a454a0b70e76a8617fe8ebcbd5350 [0,1,0,1,0,0|2,0,0]=4 20404 B13R1.6 CCCOCCN1CCCC(=O)C1 fabc8b1ea3236eef95756d7605d4bc4d [0,1,0,1,0,0|2,0,0]=4 20405 B13R1.6 CCOCCCN1CCCC(=O)C1 9987c70c7e3636b221e70a918c666fdd [0,1,0,1,0,0|2,0,0]=4 20406 B13R1.6 CCOCCNC1CCCC(=O)C1 75c6092c0ac04fdab970b9d90a8ac61b [0,1,0,1,0,0|2,0,0]=4 20407 B13R1.6 CCOCCOC1CCCC(=O)C1 3534990cb10c93a819eb5e25d3c36930 [0,1,0,1,0,0|2,0,0]=4 20408 B13R1.6 CCOCOCC1CCCC(=O)N1 b36c6454acb54fa8f161e545fd0c0b57 [0,1,0,1,0,0|2,0,0]=4 20409 B13R1.6 CCOCOC[C@@H]1CCCC(=O)N1 2389dd99ab5bf1034543bebe327e86a4 [0,1,0,1,0,0|2,0,0]=4 20410 B13R1.6 CCOCOC[C@H]1CCCC(=O)N1 11a3261f01d497ee2528f8a8f170959e [0,1,0,1,0,0|2,0,0]=4 20411 B13R1.6 CCSCCCN1CCCC(=O)C1 34e257a715b2732437fcacd00e10b100 [0,1,0,1,0,0|2,0,0]=4 20412 B13R1.6 CCSCCNC1CCCC(=O)C1 af39879b89a6cfd4af1b67c02747d87a [0,1,0,1,0,0|2,0,0]=4 20413 B13R1.6 CCSCCOC1CCCC(=O)C1 640520d65d3b943c19344911879068d7 [0,1,0,1,0,0|2,0,0]=4 20414 B13R1.6 COCCCCN1CCCC(=O)C1 55380fd52436188b45fc5614b2c20959 [0,1,0,1,0,0|2,0,0]=4 20415 B13R1.6 COCCCOC1CCCC(=O)C1 3f03a4cf5c8985e60e3c0a9682c48fca [0,1,0,1,0,0|2,0,0]=4 20416 B13R1.6 COCCNCC1CCCC(=O)N1 e7065181242d04ded4a5fca5bf00f088 [0,1,0,1,0,0|2,0,0]=4 20417 B13R1.6 COCCOCC1CCCC(=O)C1 94b90bb3205066f82fb7729c4bd8bddf [0,1,0,1,0,0|2,0,0]=4 20418 B13R1.6 COCCOCC1CCCC(=O)N1 0bbe72f886d24bfe7a243b1790923eac [0,1,0,1,0,0|2,0,0]=4 20419 B13R1.6 COCCOC[C@@H]1CCCC(=O)N1 ea481d53817c167eb549eac1f03931c6 [0,1,0,1,0,0|2,0,0]=4 20420 B13R1.6 COCCOC[C@H]1CCCC(=O)N1 bdb9806699a847310ee0f8163e17f93a [0,1,0,1,0,0|2,0,0]=4 20421 B13R1.6 CSCCCNC1CCCC(=O)C1 786bd7d855123bab4f8840cc583e4b88 [0,1,0,1,0,0|2,0,0]=4 20422 B13R1.6 CSCCCOC1CCCC(=O)C1 d7d2d11ca64b8050646e881c22651f39 [0,1,0,1,0,0|2,0,0]=4 20423 B13R1.6 CSCCNCC1CCCC(=O)N1 5863c36b84af7a3fe2e90770aafe198c [0,1,0,1,0,0|2,0,0]=4 20424 B13R1.6 CSCCOCC1CCCC(=O)C1 5021c81ebcae88823c43327542384d67 [0,1,0,1,0,0|2,0,0]=4 20425 B13R1.6 CSCCOCC1CCCC(=O)N1 5fd4a27502eb9ec9baf13f45509891af [0,1,0,1,0,0|2,0,0]=4 20426 B13R1.6 CSCCOC[C@@H]1CCCC(=O)N1 fc62e7cbaf7a9853f1e03ce83149751c [0,1,0,1,0,0|2,0,0]=4 20427 B13R1.6 CSCCOC[C@H]1CCCC(=O)N1 0c5d130a157b4884b1952d3a35929cb6 [0,1,0,1,0,0|2,0,0]=4 20428 B13R1.6 O=C1CCCC(C1)COCCCF c7f75cc7c4f9f7af7ffcd8d165c3950a [0,1,0,1,0,0|2,0,0]=4 20429 B13R1.6 O=C1CCCC(C1)COCCCS 19a26f2853fb8870e99c651b808f6245 [0,1,0,1,0,0|2,0,0]=4 20430 B13R1.6 O=C1CCCC(C1)NCCCCCl 43a9b6d85338ebfc9ff7b29d04f7fefd [0,1,0,1,0,0|2,0,0]=4 20431 B13R1.6 O=C1CCCC(C1)NCCCCO 5c46b5b5a972bfeb629c050e182256cf [0,1,0,1,0,0|2,0,0]=4 20432 B13R1.6 O=C1CCCC(C1)NCCCCS 73833f9a18322327698df60596719aeb [0,1,0,1,0,0|2,0,0]=4 20433 B13R1.6 O=C1CCCC(C1)OCCCCF 367bc3dc5f80a875f4f3ea8f664a5182 [0,1,0,1,0,0|2,0,0]=4 20434 B13R1.6 O=C1CCCC(C1)OCCCCS f0be88b2d9706bd9201ba73c481994e5 [0,1,0,1,0,0|2,0,0]=4 20435 B13R1.6 O=C1CCCC(N1)CNCCCF f53f10aa1cbfce0d4a0931a2025f662c [0,1,0,1,0,0|2,0,0]=4 20436 B13R1.6 O=C1CCCC(N1)CNCCCO 661a863269cd5252cc2d9d45e7312ccb [0,1,0,1,0,0|2,0,0]=4 20437 B13R1.6 O=C1CCCC(N1)CNCCCS db4e820dbbb8ddb37ac345eb41b1f304 [0,1,0,1,0,0|2,0,0]=4 20438 B13R1.6 O=C1CCCC(N1)COCCCF c996d56a857f0ea0f4441f233e7b3529 [0,1,0,1,0,0|2,0,0]=4 20439 B13R1.6 O=C1CCCC(N1)COCCCS e00616ae3361513ca0f518994259e1b7 [0,1,0,1,0,0|2,0,0]=4 20440 B13R1.6 O=C1CCCN(C1)CCCCCF bf13cb4febea9878baca0d719e14030d [0,1,0,1,0,0|2,0,0]=4 20441 B13R1.6 O=C1CCCN(C1)CCCCCO 788f303b80eadf267d8ea99cd22f64bc [0,1,0,1,0,0|2,0,0]=4 20442 B13R1.6 O=C1CCC[C@@H](N1)COCCCF 59d2fca4aeb7048ef34c8540b72af3fc [0,1,0,1,0,0|2,0,0]=4 20443 B13R1.6 O=C1CCC[C@@H](N1)COCCCS 12332eb098733c739d23b9a78cdd2d27 [0,1,0,1,0,0|2,0,0]=4 20444 B13R1.6 O=C1CCC[C@H](N1)COCCCF 045330a8ac4072af6ec6b66dbbadc117 [0,1,0,1,0,0|2,0,0]=4 20445 B13R1.6 O=C1CCC[C@H](N1)COCCCS 2c4426c5e5278c12103aef5e655b87ae [0,1,0,1,0,0|2,0,0]=4 20446 B13R1.90 C#CC1CCCCC1OCC(=O)O e1d480ced467f4423152338d4368bb49 [0,1,0,1,0,0|0,0,2]=4 20447 B13R1.90 C#CC1CCCCN1CCC(=O)O 5b5ca44d466e351ef7fc18829787a9c2 [0,1,0,1,0,0|0,0,2]=4 20448 B13R1.90 C#C[C@@H]1CCCC[C@@H]1OCC(=O)O a06fbc203bfb11f7c1d85ce27cc89e82 [0,1,0,1,0,0|0,0,2]=4 20449 B13R1.90 C#C[C@@H]1CCCC[C@H]1OCC(=O)O f5970778e621902677c42d327d332caa [0,1,0,1,0,0|0,0,2]=4 20450 B13R1.90 C=C(Br)COC1CCCCC1CC a06817274b5e281dc0be490806d5c397 [0,1,0,1,0,0|2,0,0]=4 20451 B13R1.90 C=C(C)CCN1CCCCC1CC 12b8aefe5b77afe96c4340452b4f2e32 [0,1,0,1,0,0|2,0,0]=4 20452 B13R1.90 C=C(C)CCN1CCCC[C@@H]1CC b5361a384dabbf9de8b082a03962daae [0,1,0,1,0,0|2,0,0]=4 20453 B13R1.90 C=C(C)CCN1CCCC[C@H]1CC 25f7ec71a7e145011f1bcb3cf8f136ec [0,1,0,1,0,0|2,0,0]=4 20454 B13R1.90 C=C(C)COC1CCCCC1CC e2200fe96afb6be815c5aad2739cb0d7 [0,1,0,1,0,0|2,0,0]=4 20455 B13R1.90 C=C(Cl)COC1CCCCC1CC 0e07abaf725484440ef8bbc4610c4992 [0,1,0,1,0,0|2,0,0]=4 20456 B13R1.90 C=C(F)COC1CCCCC1CC ea8bab88fc09b501a779b909ccaee10e [0,1,0,1,0,0|2,0,0]=4 20457 B13R1.90 CC(=O)CCN1CCCCC1CO 0b73562d4a3cebb96580c78767ac78ca [0,1,0,1,0,0|2,0,0]=4 20458 B13R1.90 CC(=O)CCN1CCCC[C@@H]1CO 87e8a1525fb966cfdc4d150c55202496 [0,1,0,1,0,0|2,0,0]=4 20459 B13R1.90 CC(=O)CCN1CCCC[C@H]1CO 674ab085ccda6b524a20d0c659359463 [0,1,0,1,0,0|2,0,0]=4 20460 B13R1.90 CCC1CCCCC1OCC(=O)N 61478bd5b20f6dced26f5b6f387f1567 [0,1,0,1,0,0|1,0,0]=3 20461 B13R1.90 CCC1CCCCC1OCC(=O)O ce3d996ac59c6f08029f858e9d1a8404 [0,1,0,1,0,0|0,0,0]=2 20462 B13R1.90 CCC1CCCCC1OC[N+](=O)[O-] 7d1f3fa801c5fdac743c1c8c1bc8c830 [0,1,0,1,0,0|1,0,1]=4 20463 B13R1.90 CCC1CCCCN1CCC(=O)C 147b2741092151476d1cac4d5c38ca55 [0,1,0,1,0,0|1,0,0]=3 20464 B13R1.90 CCC1CCCCN1CCC(=O)N b22f3957e0c33a57d02877b4ac237af5 [0,1,0,1,0,0|1,0,0]=3 20465 B13R1.90 CCC1CCCCN1CCC(=O)O 3df5945447bed85da38232ce3e0085fc [0,1,0,1,0,0|0,0,0]=2 20466 B13R1.90 CCC1CCCCN1CCC(C)O 2c97d14dd28397759e35318c05868775 [0,1,0,1,0,0|1,0,1]=4 20467 B13R1.90 CCC1CCCCN1CCS(=O)C b149660be2ddfc582568f3ca05483455 [0,1,0,1,0,0|2,0,0]=4 20468 B13R1.90 CCC1CCCCN1COC(=O)C dbab594adb1df58d9f7048227e40577e [0,1,0,1,0,0|2,0,0]=4 20469 B13R1.90 CCC1CCCCN1CSC(=O)N c98cfb259b055bfdc4959d06e38a9130 [0,1,0,1,0,0|2,0,0]=4 20470 B13R1.90 CCC1COCCC1NCC(=O)N a81c1968010add071cf11ea5bd3cdefb [0,1,0,1,0,0|2,0,0]=4 20471 B13R1.90 CCC1COCCC1NCC(=O)O f327c285edaa1bf3f152fe51f06fdaae [0,1,0,1,0,0|1,0,0]=3 20472 B13R1.90 CCC1COCCN1CCC(=O)C 207d7559991cb00428e3ff28078334a6 [0,1,0,1,0,0|2,0,0]=4 20473 B13R1.90 CCC1COCCN1CCC(=O)N 2acf6b69c8ee27c9d49995d2636d0a10 [0,1,0,1,0,0|2,0,0]=4 20474 B13R1.90 CCC1COCCN1CCC(=O)O 499b020c52b420ba137d6e139120c02b [0,1,0,1,0,0|1,0,0]=3 20475 B13R1.90 CCN1CCCCC1CCC(=O)O de8ff0f6f7079068957556051851ed66 [0,1,0,1,0,0|0,0,0]=2 20476 B13R1.90 CCN1CCCCC1CNC(=O)C 36b51c3efceace938f613ceb01d412bb [0,1,0,1,0,0|2,0,0]=4 20477 B13R1.90 CC[C@@H]1CCCCN1CCC(=O)C 4eb76a8a4f3c283d23bfe26541ce0820 [0,1,0,1,0,0|1,0,0]=3 20478 B13R1.90 CC[C@@H]1CCCCN1CCC(=O)N cd33f1b5fe2de131eee3dbabfe361871 [0,1,0,1,0,0|1,0,0]=3 20479 B13R1.90 CC[C@@H]1CCCCN1CCC(=O)O 00b39f00d9025efaf3d4d10a299f9de4 [0,1,0,1,0,0|0,0,0]=2 20480 B13R1.90 CC[C@@H]1CCCCN1CCC(C)O 9ab6122cc380bbb0769cfef2c7eab274 [0,1,0,1,0,0|1,0,1]=4 20481 B13R1.90 CC[C@@H]1CCCCN1CCS(=O)C 380e15ac15a1623d79df8603a35cccbd [0,1,0,1,0,0|2,0,0]=4 20482 B13R1.90 CC[C@@H]1CCCCN1COC(=O)C 44f5a5df1409719e51b1083bea4f930c [0,1,0,1,0,0|2,0,0]=4 20483 B13R1.90 CC[C@@H]1CCCCN1CSC(=O)N 5fe7e2f44883eb465a8fbf1487075644 [0,1,0,1,0,0|2,0,0]=4 20484 B13R1.90 CC[C@@H]1COCCN1CCC(=O)C 8f686c9d6a0b55f57a20cfa64041d1c8 [0,1,0,1,0,0|2,0,0]=4 20485 B13R1.90 CC[C@@H]1COCCN1CCC(=O)N eb5e9a3d2adda397ed83bed5e1c688c2 [0,1,0,1,0,0|2,0,0]=4 20486 B13R1.90 CC[C@@H]1COCCN1CCC(=O)O 2d7fa5c2d4bc033e8bc566fc3b845ad1 [0,1,0,1,0,0|1,0,0]=3 20487 B13R1.90 CC[C@H]1CCCCN1CCC(=O)C 4c0ea5176765a20895b06cf0f8dfd019 [0,1,0,1,0,0|1,0,0]=3 20488 B13R1.90 CC[C@H]1CCCCN1CCC(=O)N 5be7e66aaf257738de7835b74728c1a0 [0,1,0,1,0,0|1,0,0]=3 20489 B13R1.90 CC[C@H]1CCCCN1CCC(=O)O 1b19729a0f93fe01bf71930961118d59 [0,1,0,1,0,0|0,0,0]=2 20490 B13R1.90 CC[C@H]1CCCCN1CCC(C)O 5c59a577e79b95f5f440d64eabc2d7c1 [0,1,0,1,0,0|1,0,1]=4 20491 B13R1.90 CC[C@H]1CCCCN1CCS(=O)C afd70ed5b6e0cee24956c30470a412d9 [0,1,0,1,0,0|2,0,0]=4 20492 B13R1.90 CC[C@H]1CCCCN1COC(=O)C cd7af1b93ecad6cf0c79b2106f303d96 [0,1,0,1,0,0|2,0,0]=4 20493 B13R1.90 CC[C@H]1CCCCN1CSC(=O)N 18783cf8c4fed8a39145c257c69ad870 [0,1,0,1,0,0|2,0,0]=4 20494 B13R1.90 CC[C@H]1COCCN1CCC(=O)C d89533329a73f502a30d2ed9e38bfe5e [0,1,0,1,0,0|2,0,0]=4 20495 B13R1.90 CC[C@H]1COCCN1CCC(=O)N cee58375592d104cf6577e6c4df16d27 [0,1,0,1,0,0|2,0,0]=4 20496 B13R1.90 CC[C@H]1COCCN1CCC(=O)O 5a76499fd920982471feaa8eff59315c [0,1,0,1,0,0|1,0,0]=3 20497 B13R1.90 COC1CCCCC1NCC(=O)N 36abd4020dcd475dc53497d5c6bc4d21 [0,1,0,1,0,0|2,0,0]=4 20498 B13R1.90 COC1CCCCC1NCC(=O)O 975f04107a2c787bb775a2b54af62cd0 [0,1,0,1,0,0|1,0,0]=3 20499 B13R1.90 COC1CCCCC1OCC(=O)N 1856604dca7b35a0fad5bda92e6e2837 [0,1,0,1,0,0|2,0,0]=4 20500 B13R1.90 COC1CCCCC1OCC(=O)O f61ac241a8580a93c903a471bb98a413 [0,1,0,1,0,0|1,0,0]=3 20501 B13R1.90 CO[C@@H]1COCC[C@@H]1NCC(=O)O 8405f8148fd1347b41d503d3358ca715 [0,1,0,1,0,0|2,0,0]=4 20502 B13R1.90 CO[C@@H]1COCC[C@H]1NCC(=O)O 8ce757a661a249a275480539161056c4 [0,1,0,1,0,0|2,0,0]=4 20503 B13R1.90 CO[C@H]1CCCC[C@@H]1NCC(=O)N bf9894579a7b3ca560f15933629e00a1 [0,1,0,1,0,0|2,0,0]=4 20504 B13R1.90 CO[C@H]1CCCC[C@@H]1NCC(=O)O 118274b31352b065578b4466ff582c3d [0,1,0,1,0,0|1,0,0]=3 20505 B13R1.90 CO[C@H]1COCC[C@@H]1NCC(=O)O 7b86d348b6a2edfc42f76dd99d3eda46 [0,1,0,1,0,0|2,0,0]=4 20506 B13R1.90 CO[C@H]1COCC[C@H]1NCC(=O)O 51928e6e141a008b86a4325ba9bb4493 [0,1,0,1,0,0|2,0,0]=4 20507 B13R1.90 CS[C@@H]1CCCC[C@H]1OCC(=O)N d9f848899d6731b5c7c4aaf021548e4d [0,1,0,1,0,0|2,0,0]=4 20508 B13R1.90 CS[C@@H]1CCCC[C@H]1OCC(=O)O 75df391a491205e76c47bad2f4d9b7b8 [0,1,0,1,0,0|1,0,0]=3 20509 B13R1.90 N#CC1CCCCC1NCC(=O)O a948d53ecffbda05ef14c709967ec7cd [0,1,0,1,0,0|1,0,1]=4 20510 B13R1.90 N#CC1CCCCN1CCC(=O)O f191d43f2820467ea8383a0943f79be9 [0,1,0,1,0,0|1,0,1]=4 20511 B13R1.90 N#C[C@@H]1CCCCN1CCC(=O)O fabd441ef9d674d6b6b5f1e05854f973 [0,1,0,1,0,0|1,0,1]=4 20512 B13R1.90 N#C[C@@H]1CCCC[C@@H]1NCC(=O)O 7abf476e832e3e3352623d84683d9acd [0,1,0,1,0,0|1,0,1]=4 20513 B13R1.90 N#C[C@H]1CCCCN1CCC(=O)O 74c1dfdcf9f3770a2b19140913203c1e [0,1,0,1,0,0|1,0,1]=4 20514 B13R1.90 NC(=O)CCN1CCCCC1CO 5dc0cf8b22629a6ee93e028277ddc150 [0,1,0,1,0,0|2,0,0]=4 20515 B13R1.90 NC(=O)CCN1CCCC[C@@H]1CO 0eef97c739293d07113d66d7cc28a8e8 [0,1,0,1,0,0|2,0,0]=4 20516 B13R1.90 NC(=O)CCN1CCCC[C@H]1CO 6ad81ea815f2966b66d966836a9455d3 [0,1,0,1,0,0|2,0,0]=4 20517 B13R1.90 NC(=O)CN[C@@H]1CCCC[C@@H]1CO fdade1ea5060c2dd64003b7f6caee092 [0,1,0,1,0,0|2,0,0]=4 20518 B13R1.90 NC(=O)CN[C@@H]1CCCC[C@H]1CO ad310b241f95d9936d8968d34888ac64 [0,1,0,1,0,0|2,0,0]=4 20519 B13R1.90 NC(=O)CN[C@H]1CCCC[C@H]1CO 71633f11851246325ef106cfc6c451de [0,1,0,1,0,0|2,0,0]=4 20520 B13R1.90 O=C(O)CCC1CCCCN1CF 8d3a07e0511d4d84386732415c0b31f2 [0,1,0,1,0,0|1,0,0]=3 20521 B13R1.90 O=C(O)CCC1CCCCN1CO 01a33da1b48c2368b34c5d6562162187 [0,1,0,1,0,0|1,0,0]=3 20522 B13R1.90 O=C(O)CCN1CCCCC1CO dbd4e26506004a04355a71856885ebca [0,1,0,1,0,0|1,0,0]=3 20523 B13R1.90 O=C(O)CCN1CCCC[C@@H]1CO b1e55639ecce9b4eac11cad452a25974 [0,1,0,1,0,0|1,0,0]=3 20524 B13R1.90 O=C(O)CCN1CCCC[C@H]1CO b20dfe650006d88be6822a54421a6d13 [0,1,0,1,0,0|1,0,0]=3 20525 B13R1.90 O=C(O)CCN1CCOCC1CO cd6f4350089d1b79b093ea1aaceac6dc [0,1,0,1,0,0|2,0,0]=4 20526 B13R1.90 O=C(O)CCN1CCOC[C@@H]1CO 8e544323ddb8d80540da10fa3f4b2e1f [0,1,0,1,0,0|2,0,0]=4 20527 B13R1.90 O=C(O)CCN1CCOC[C@H]1CO d868b39b42c2f7a30b00d4467b78c434 [0,1,0,1,0,0|2,0,0]=4 20528 B13R1.90 O=C(O)CNC1CCOCC1CO ae2f84590937ab2eb244aaa2ba38e304 [0,1,0,1,0,0|2,0,0]=4 20529 B13R1.90 O=C(O)CN[C@@H]1CCCC[C@@H]1CO a28a24876f01d534fa3faf8acf561c8b [0,1,0,1,0,0|1,0,0]=3 20530 B13R1.90 O=C(O)CN[C@@H]1CCCC[C@H]1CO b9618704e824b47225a91ae439a07962 [0,1,0,1,0,0|1,0,0]=3 20531 B13R1.90 O=C(O)CN[C@@H]1CCOC[C@@H]1CO 2c8cfb187c47126da84f24cb71390e63 [0,1,0,1,0,0|2,0,0]=4 20532 B13R1.90 O=C(O)CN[C@H]1CCCC[C@H]1CO 696411bdabc64117ef6fa618e5fe34a5 [0,1,0,1,0,0|1,0,0]=3 20533 B13R1.90 O=CC1CCCCN1CCC(=O)O 3b2dcec859cf8a97cedce0ab2c66dc25 [0,1,0,1,0,0|1,0,1]=4 20534 B13R1.103 C#CC1CCCC1OCCC(=O)O 49d42942877b853e969f5d24e9daef54 [0,1,0,1,0,0|0,0,2]=4 20535 B13R1.103 C#CC1CCCN1CCCC(=O)O 2732695119f74c362ff2c0c2a366cefa [0,1,0,1,0,0|0,0,2]=4 20536 B13R1.103 C=C(C)CCCN1CCCC1CC 6f426808a7d54ca8a258c29f231e3eb4 [0,1,0,1,0,0|2,0,0]=4 20537 B13R1.103 C=C(C)CCCN1CCC[C@H]1CC 211ef29d918f974833974ff11968d4e1 [0,1,0,1,0,0|2,0,0]=4 20538 B13R1.103 C=C(C)CCN[C@@H]1CCC[C@H]1CC 0d83bf2674d9434c4c33777770010a23 [0,1,0,1,0,0|2,0,0]=4 20539 B13R1.103 CC(=O)CCCN1CCCC1CO 5b7f725f016239c71c673a2877f339ba [0,1,0,1,0,0|2,0,0]=4 20540 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CF e8647e75931658998344f624b3a6bb3b [0,1,0,1,0,0|2,0,0]=4 20541 B13R1.103 CC(=O)CCCN1CCC[C@@H]1CO 71a4e0c1f9e516d08de09f08e553d771 [0,1,0,1,0,0|2,0,0]=4 20542 B13R1.103 CC(=O)CCCN1CCC[C@H]1CF b4fb15cd7ed965a747546e73aabf2c7c [0,1,0,1,0,0|2,0,0]=4 20543 B13R1.103 CC(=O)CCCN1CCC[C@H]1CO aa9fb4bd41c851ed3ef5d7793eea52d0 [0,1,0,1,0,0|2,0,0]=4 20544 B13R1.103 CC(=O)CCN[C@H]1CCC[C@H]1CO 6db13930445301c3858070e8f54c9ce1 [0,1,0,1,0,0|2,0,0]=4 20545 B13R1.103 CCC1CCCN1C/C=C/C(=O)O a26ce1fa1602c1009a474dac2adf77f9 [0,1,0,1,0,0|0,0,2]=4 20546 B13R1.103 CCC1CCCN1CC=CC(=O)O a2e35922fd5003242e687c1e3ff0ad29 [0,1,0,1,0,0|0,0,2]=4 20547 B13R1.103 CCC1CCCN1CCCC(=O)C ec74cb265bcd430146ecd6ca75dd4a38 [0,1,0,1,0,0|1,0,0]=3 20548 B13R1.103 CCC1CCCN1CCCC(=O)N e95770080f525fffceaee394530716c4 [0,1,0,1,0,0|1,0,0]=3 20549 B13R1.103 CCC1CCCN1CCCC(=O)O 2e731b2842537942a412306a55bd08f4 [0,1,0,1,0,0|0,0,0]=2 20550 B13R1.103 CCC1CCCN1CCCC(C)O abad244eec5f7216063c776948127433 [0,1,0,1,0,0|1,0,1]=4 20551 B13R1.103 CCC1CCCN1CCC[N+](=O)[O-] d90531bd9e70a0cca26693baff74c15d [0,1,0,1,0,0|1,0,1]=4 20552 B13R1.103 CCC1CCCN1CCNC(=O)C 65f4a7c366b68cc46e722a59492213e9 [0,1,0,1,0,0|2,0,0]=4 20553 B13R1.103 CCC1CCCN1CCNC(=O)N ddd9e3923544b74eb158fdc2d5e96efc [0,1,0,1,0,0|2,0,0]=4 20554 B13R1.103 CCC1CCCN1CCOC(=O)C 92570ed06c67f7c7819865b0f1b046ea [0,1,0,1,0,0|2,0,0]=4 20555 B13R1.103 CCC1CCCN1CCSC(=O)C 760c64ea6763e6cb58d94c2d0b260de9 [0,1,0,1,0,0|2,0,0]=4 20556 B13R1.103 CCN1CCCC1CNCC(=O)N e791d1b78996cd9416dc557034b8e954 [0,1,0,1,0,0|2,0,0]=4 20557 B13R1.103 CCN1CCCC1CNCC(=O)O 322956c4e4a8fc2f57d1fabc015021ea [0,1,0,1,0,0|1,0,0]=3 20558 B13R1.103 CCN1CCCC1COCC(=O)N 37aa11dd49a15b44dfd2a95f40385869 [0,1,0,1,0,0|2,0,0]=4 20559 B13R1.103 CCN1CCCC1COCC(=O)O 6a65aabbc7cc0170a5b1e5c057eabfd8 [0,1,0,1,0,0|1,0,0]=3 20560 B13R1.103 CCN1CCC[C@@H]1CNCC(=O)N 22d6c0f23d3dccb13d0edf6abb53254d [0,1,0,1,0,0|2,0,0]=4 20561 B13R1.103 CCN1CCC[C@@H]1CNCC(=O)O 4894fd4aac808cbb4278881750e5cdec [0,1,0,1,0,0|1,0,0]=3 20562 B13R1.103 CCN1CCC[C@@H]1COCC(=O)N ab9aec62b8e7571d5a015e4600fd166a [0,1,0,1,0,0|2,0,0]=4 20563 B13R1.103 CCN1CCC[C@@H]1COCC(=O)O 3aa9db7b1d778a81513fce2268d978a4 [0,1,0,1,0,0|1,0,0]=3 20564 B13R1.103 CCN1CCC[C@H]1CNCC(=O)N d0aa00644d5365ca25f38491c814f4ce [0,1,0,1,0,0|2,0,0]=4 20565 B13R1.103 CCN1CCC[C@H]1CNCC(=O)O 3ebd0c478819f2da1f9919ec13f25d27 [0,1,0,1,0,0|1,0,0]=3 20566 B13R1.103 CCN1CCC[C@H]1COCC(=O)N 386f4252160824df4a00888b8c9aa2d1 [0,1,0,1,0,0|2,0,0]=4 20567 B13R1.103 CCN1CCC[C@H]1COCC(=O)O 05a67a843574a07d027170b5b3fa5b6c [0,1,0,1,0,0|1,0,0]=3 20568 B13R1.103 CC[C@@H]1CCCN1C/C=C/C(=O)O faaa72b1cbf35260cdc87097399f7a42 [0,1,0,1,0,0|0,0,2]=4 20569 B13R1.103 CC[C@@H]1CCCN1CC=CC(=O)O 469bed11b5255a37a9c6bfd1665bdcb9 [0,1,0,1,0,0|0,0,2]=4 20570 B13R1.103 CC[C@@H]1CCCN1CCCC(=O)C cc8002dd18fea3c99d49da47e3e04c89 [0,1,0,1,0,0|1,0,0]=3 20571 B13R1.103 CC[C@@H]1CCCN1CCCC(=O)N 2542d6f48ba9830f230a324dc19bcea7 [0,1,0,1,0,0|1,0,0]=3 20572 B13R1.103 CC[C@@H]1CCCN1CCCC(=O)O 31070978689590b47e6162baf8a70b50 [0,1,0,1,0,0|0,0,0]=2 20573 B13R1.103 CC[C@@H]1CCCN1CCCC(C)O cc0e88f12382262a21c7b7f2bfd8c2ff [0,1,0,1,0,0|1,0,1]=4 20574 B13R1.103 CC[C@@H]1CCCN1CCC[N+](=O)[O-] c41dca777793c8d81ab4fccc3e4154cc [0,1,0,1,0,0|1,0,1]=4 20575 B13R1.103 CC[C@@H]1CCCN1CCNC(=O)C e97da58e2a70eedf9d89efba4d9e4dc7 [0,1,0,1,0,0|2,0,0]=4 20576 B13R1.103 CC[C@@H]1CCCN1CCNC(=O)N 0127a0f62f20b7087b349f998fd85541 [0,1,0,1,0,0|2,0,0]=4 20577 B13R1.103 CC[C@@H]1CCCN1CCOC(=O)C a33c14e754affcd6fe60fbe184988525 [0,1,0,1,0,0|2,0,0]=4 20578 B13R1.103 CC[C@@H]1CCCN1CCSC(=O)C efcbc7ce7d299517fae7c1828b6f07a2 [0,1,0,1,0,0|2,0,0]=4 20579 B13R1.103 CC[C@@H]1CCC[C@H]1NCCC(=O)C ced24469fed273db17f54f81ca7c089e [0,1,0,1,0,0|1,0,0]=3 20580 B13R1.103 CC[C@@H]1CCC[C@H]1NCCC(=O)N c03179f88415a4d9356a41aac6baf505 [0,1,0,1,0,0|1,0,0]=3 20581 B13R1.103 CC[C@@H]1CCC[C@H]1NCCC(=O)O a5b226c516fcd1b9859584a70f60a8c2 [0,1,0,1,0,0|0,0,0]=2 20582 B13R1.103 CC[C@@H]1CCC[C@H]1NCCC(C)O 6b882f8eee34046c51a483721e5487c6 [0,1,0,1,0,0|1,0,1]=4 20583 B13R1.103 CC[C@@H]1CCC[C@H]1NCCS(=O)C 425c1256f49fccc04e77327dd343dba7 [0,1,0,1,0,0|2,0,0]=4 20584 B13R1.103 CC[C@@H]1CCC[C@H]1NCOC(=O)C d75c04909a556c596081a96f1fce8371 [0,1,0,1,0,0|2,0,0]=4 20585 B13R1.103 CC[C@@H]1CCC[C@H]1NCSC(=O)N a6ec421d1c5e1f8aabcef0d96d1a5d04 [0,1,0,1,0,0|2,0,0]=4 20586 B13R1.103 COC1CCCC1NCCC(=O)C 720bdc58c7f0f770e32844ff964e4637 [0,1,0,1,0,0|2,0,0]=4 20587 B13R1.103 COC1CCCC1NCCC(=O)N 40a65c2a223c8491ecd7d7cf786b927a [0,1,0,1,0,0|2,0,0]=4 20588 B13R1.103 COC1CCCC1NCCC(=O)O 659a03e6a18f3d5850bf448cd3a7cd0f [0,1,0,1,0,0|1,0,0]=3 20589 B13R1.103 COC1CCCN1CCCC(=O)C a790b7959393f60989fe89b306a705af [0,1,0,1,0,0|2,0,0]=4 20590 B13R1.103 COC1CCCN1CCCC(=O)N 4d40ae17fa3c44037f9e6bc9c375cd26 [0,1,0,1,0,0|2,0,0]=4 20591 B13R1.103 COC1CCCN1CCCC(=O)O 98f29b6580726c9d38010711a52d2bf2 [0,1,0,1,0,0|1,0,0]=3 20592 B13R1.103 COC1COCC1NCCC(=O)O d3e7db3985cfaec21b03c8f070178ec2 [0,1,0,1,0,0|2,0,0]=4 20593 B13R1.103 CO[C@@H]1CCC[C@@H]1NCCC(=O)C ad1ff89b846ab757b3add597b635980b [0,1,0,1,0,0|2,0,0]=4 20594 B13R1.103 CO[C@@H]1CCC[C@@H]1NCCC(=O)N d16da52ae0e081efddef065e6230c1bb [0,1,0,1,0,0|2,0,0]=4 20595 B13R1.103 CO[C@@H]1CCC[C@@H]1NCCC(=O)O cf828896246b87a82172b8f6aaa0e409 [0,1,0,1,0,0|1,0,0]=3 20596 B13R1.103 CO[C@@H]1CCC[C@H]1NCCC(=O)C 7134323b918284ec5315f53b424ce604 [0,1,0,1,0,0|2,0,0]=4 20597 B13R1.103 CO[C@@H]1CCC[C@H]1NCCC(=O)N aba2a2cf7ea56419687036a6a8a9b67c [0,1,0,1,0,0|2,0,0]=4 20598 B13R1.103 CO[C@@H]1CCC[C@H]1NCCC(=O)O 12f51494e9a9eb1b634629902575f91a [0,1,0,1,0,0|1,0,0]=3 20599 B13R1.103 CO[C@@H]1COC[C@@H]1NCCC(=O)O a39254d80f48714cd6904886d969f5da [0,1,0,1,0,0|2,0,0]=4 20600 B13R1.103 CO[C@@H]1COC[C@H]1NCCC(=O)O 71fe5cb70c069e9c56cbb0025bdf2b65 [0,1,0,1,0,0|2,0,0]=4 20601 B13R1.103 CO[C@H]1CCC[C@@H]1NCCC(=O)C 8fc942d1e1297e46e8030c43feaae989 [0,1,0,1,0,0|2,0,0]=4 20602 B13R1.103 CO[C@H]1CCC[C@@H]1NCCC(=O)N 50f519264cdf1d24f17c24c0122c63d7 [0,1,0,1,0,0|2,0,0]=4 20603 B13R1.103 CO[C@H]1CCC[C@@H]1NCCC(=O)O 8aa99ca17d7703d08ed1f2bf917d6e7f [0,1,0,1,0,0|1,0,0]=3 20604 B13R1.103 CO[C@H]1COC[C@@H]1NCCC(=O)O 1d95d579d514c0d351720a65b74be215 [0,1,0,1,0,0|2,0,0]=4 20605 B13R1.103 CO[C@H]1COC[C@H]1NCCC(=O)O a7e0850269034e146b1ee76fd5ebfa64 [0,1,0,1,0,0|2,0,0]=4 20606 B13R1.103 N#CC1CCCC1OCCC(=O)O 693eeada29275b8c796798514cb2979f [0,1,0,1,0,0|1,0,1]=4 20607 B13R1.103 N#CC1CCCN1CCCC(=O)O 58e825d32a870ac4ef3ebfae8ef2f88c [0,1,0,1,0,0|1,0,1]=4 20608 B13R1.103 N#C[C@@H]1CCCN1CCCC(=O)O 15568929654e68dfb9ef02c600e89443 [0,1,0,1,0,0|1,0,1]=4 20609 B13R1.103 N#C[C@@H]1CCC[C@@H]1NCCC(=O)O 910994c122d193309a442390837f67bb [0,1,0,1,0,0|1,0,1]=4 20610 B13R1.103 N#C[C@@H]1CCC[C@H]1OCCC(=O)O c90fbc8e0060d5d2a2dca538b050b30f [0,1,0,1,0,0|1,0,1]=4 20611 B13R1.103 NC(=O)CCCN1CCCC1CO c011b44f0bb5bc3ddeac7bbbcb4fa743 [0,1,0,1,0,0|2,0,0]=4 20612 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CF ad6d74c69d6c38e2a38d31a8d59d2a1b [0,1,0,1,0,0|2,0,0]=4 20613 B13R1.103 NC(=O)CCCN1CCC[C@@H]1CO b011a20ebdd40dd59d71bb250f7186c1 [0,1,0,1,0,0|2,0,0]=4 20614 B13R1.103 NC(=O)CCCN1CCC[C@H]1CF c0b666b2dbbb647a59fec684c9ce465c [0,1,0,1,0,0|2,0,0]=4 20615 B13R1.103 NC(=O)CCCN1CCC[C@H]1CO 05f4a65e6fafe3b7b17855b79b335252 [0,1,0,1,0,0|2,0,0]=4 20616 B13R1.103 NC(=O)CCN[C@H]1CCC[C@H]1CO 934e30010dd37b16ad40430b8f754f5f [0,1,0,1,0,0|2,0,0]=4 20617 B13R1.103 O=C(O)CCCN1CCCC1CO d3d624f4106e4f2692bc9adb46b71aca [0,1,0,1,0,0|1,0,0]=3 20618 B13R1.103 O=C(O)CCCN1CCC[C@@H]1CF 8e79785cbf6467a762812791605d39a3 [0,1,0,1,0,0|1,0,0]=3 20619 B13R1.103 O=C(O)CCCN1CCC[C@@H]1CO c622cea72d9b2322f4d0f74a16d63f3f [0,1,0,1,0,0|1,0,0]=3 20620 B13R1.103 O=C(O)CCCN1CCC[C@H]1CF efbae0109f7fd858f0db1074dd78ee02 [0,1,0,1,0,0|1,0,0]=3 20621 B13R1.103 O=C(O)CCCN1CCC[C@H]1CO e97946f80337cf5b5a42cc33170e9729 [0,1,0,1,0,0|1,0,0]=3 20622 B13R1.103 O=C(O)CCNC1COCC1CO 89085e7cca04a5507475478722f8ec17 [0,1,0,1,0,0|2,0,0]=4 20623 B13R1.103 O=C(O)CCN[C@@H]1COC[C@H]1CO cc46cf54eed8411bc8c4e5fead1e7a50 [0,1,0,1,0,0|2,0,0]=4 20624 B13R1.103 O=C(O)CCN[C@H]1CCC[C@H]1CO efbb7a2259bf573f5ef813d3dc2775e2 [0,1,0,1,0,0|1,0,0]=3 20625 B13R1.103 O=C(O)CCN[C@H]1CSC[C@@H]1CO d5a7416901f8f758267c3b28fb99b672 [0,1,0,1,0,0|2,0,0]=4 20626 B13R1.167 C=C(C)CCCOC1CCCC1C 6dbc8ab41472e7665e7a17f083b696a1 [0,1,0,1,0,0|2,0,0]=4 20627 B13R1.167 C=C(C)CCCO[C@@H]1CCC[C@@H]1C e152804bfc39e5ad02971d03cf28ec1e [0,1,0,1,0,0|2,0,0]=4 20628 B13R1.167 C=C(C)CCCO[C@@H]1CCC[C@H]1C 29324aab67c9106dad1fd56beeb3b15b [0,1,0,1,0,0|2,0,0]=4 20629 B13R1.167 C=C(C)CCCO[C@H]1CCC[C@@H]1C ea739a64cf1cb6682293f19fbee11c6f [0,1,0,1,0,0|2,0,0]=4 20630 B13R1.167 C=C(C)CCCO[C@H]1CCC[C@H]1C 31a30e8d296117f31230ca43f4bbb412 [0,1,0,1,0,0|2,0,0]=4 20631 B13R1.167 C=C(C)CCOCC1CCCC1C 8b75ba48263d550ff004116ed3cd522d [0,1,0,1,0,0|2,0,0]=4 20632 B13R1.167 CC(=O)CCCCN1CCCC1C 648d3dd20406f7df6c2a7cfaf839fb7c [0,1,0,1,0,0|1,0,0]=3 20633 B13R1.167 CC(=O)CCCCN1CCCC1O 7b713dc50d2ff2f09ce1357fdb030360 [0,1,0,1,0,0|2,0,0]=4 20634 B13R1.167 CC(=O)CCCCN1CCC[C@@H]1C be6d78acceccf264a405be7a2817c1ae [0,1,0,1,0,0|1,0,0]=3 20635 B13R1.167 CC(=O)CCCCN1CCC[C@H]1C 9a33702c17fc8eec4cd2d11130b753dc [0,1,0,1,0,0|1,0,0]=3 20636 B13R1.167 CC(=O)CCCCN1CCSC1C f93593407eccebf25c8e3a6356cf8afc [0,1,0,1,0,0|2,0,0]=4 20637 B13R1.167 CC(=O)CCCNC1CCCC1O 33844475471aa7be006f52ecfe9d6d67 [0,1,0,1,0,0|2,0,0]=4 20638 B13R1.167 CC(=O)CCCN[C@@H]1CCC[C@@H]1O 771b7cabaa1502cf6fbd02e9a02a34b7 [0,1,0,1,0,0|2,0,0]=4 20639 B13R1.167 CC(=O)CCCN[C@@H]1CCC[C@H]1O 69e554db285fb620b4cbb1487364c4f7 [0,1,0,1,0,0|2,0,0]=4 20640 B13R1.167 CC(=O)CCCN[C@H]1CCC[C@@H]1O 267930685781456a100ed867a27abb81 [0,1,0,1,0,0|2,0,0]=4 20641 B13R1.167 CC(=O)CCCN[C@H]1CCC[C@H]1O 348f45735a2014c30d340f88a41ed942 [0,1,0,1,0,0|2,0,0]=4 20642 B13R1.167 CC(=O)CCCOC1CCCC1C dcd0d26976b0320036a3edff448866c2 [0,1,0,1,0,0|1,0,0]=3 20643 B13R1.167 CC(=O)CCCOC1COCC1C f5d799cbbeff06567b9d339c1422d7a8 [0,1,0,1,0,0|2,0,0]=4 20644 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@@H]1C 151b60511b1ebf7c7c539e99a50716a1 [0,1,0,1,0,0|1,0,0]=3 20645 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@H]1C dd46b00fb934ff1225675cc3ac37b8fd [0,1,0,1,0,0|1,0,0]=3 20646 B13R1.167 CC(=O)CCCO[C@@H]1CCC[C@H]1F e21edad013aa1d03ca23ebef7b1cddc3 [0,1,0,1,0,0|2,0,0]=4 20647 B13R1.167 CC(=O)CCCO[C@@H]1COC[C@@H]1C 5834c33e587cfb411d470cce3d12c67b [0,1,0,1,0,0|2,0,0]=4 20648 B13R1.167 CC(=O)CCCO[C@H]1CCC[C@@H]1C 0227e824ef70a337608920a5c1bd3121 [0,1,0,1,0,0|1,0,0]=3 20649 B13R1.167 CC(=O)CCCO[C@H]1CCC[C@H]1C bdd72ac45dc52b8c72ddc32d903782b8 [0,1,0,1,0,0|1,0,0]=3 20650 B13R1.167 CC(=O)CCCO[C@H]1COC[C@@H]1C f2ea2a81ef2dad9ac642dca97f48736c [0,1,0,1,0,0|2,0,0]=4 20651 B13R1.167 CC(=O)CCCO[C@H]1COC[C@H]1C 4c84da73ad4b88324e04ca33e57c915c [0,1,0,1,0,0|2,0,0]=4 20652 B13R1.167 CC(=O)CCNCC1CCCC1O b1a3ebd624ea36b94c60b6fecc8c7f3c [0,1,0,1,0,0|2,0,0]=4 20653 B13R1.167 CC(=O)CCNCC1CCCN1C b502c64f7faaf88c232003a35dc7010f [0,1,0,1,0,0|2,0,0]=4 20654 B13R1.167 CC(=O)CCNC[C@@H]1CCCN1C de7d08f226c4d9598baae06f61ab0b7e [0,1,0,1,0,0|2,0,0]=4 20655 B13R1.167 CC(=O)CCNC[C@H]1CCCN1C 65f3489b626b116ddc5054f0d3f71bc8 [0,1,0,1,0,0|2,0,0]=4 20656 B13R1.167 CC(=O)CCOCC1CCCC1C a8e75b98ed6d293f620d967fcad51bb3 [0,1,0,1,0,0|1,0,0]=3 20657 B13R1.167 CC(=O)CCOCC1CCCN1C bd5f7639da6aee50362e35ad17f5d831 [0,1,0,1,0,0|2,0,0]=4 20658 B13R1.167 CC(=O)CCOCC1COCC1C e0164551c43e02a7d26d59ce6b2fcc40 [0,1,0,1,0,0|2,0,0]=4 20659 B13R1.167 CC(=O)CCOCC1OCCC1C 018441d3c29fe4223410312fd17da667 [0,1,0,1,0,0|2,0,0]=4 20660 B13R1.167 CC(=O)CCOC[C@@H]1CCCN1C 91e958205dbd68e07afdf1b030e2aa8d [0,1,0,1,0,0|2,0,0]=4 20661 B13R1.167 CC(=O)CCOC[C@@H]1CCC[C@H]1F 6b890c4b4fab45a0d33c5b6252a72c3b [0,1,0,1,0,0|2,0,0]=4 20662 B13R1.167 CC(=O)CCOC[C@@H]1CCO[C@@H]1C c34d5ed77390da2150ace7147cf2419f [0,1,0,1,0,0|2,0,0]=4 20663 B13R1.167 CC(=O)CCOC[C@H]1CCCN1C 73cf5c604069a9909f941fe1a8c0c528 [0,1,0,1,0,0|2,0,0]=4 20664 B13R1.167 CC(=O)CNCCC1CCCN1C 8dc66fc28dd920bd83a287d3d6376580 [0,1,0,1,0,0|2,0,0]=4 20665 B13R1.167 CC(=O)COCCC1CCCN1C 2e1f2cc3dff33a84e70fcf4b47ef5895 [0,1,0,1,0,0|2,0,0]=4 20666 B13R1.167 CC(=O)NCCCN1CCCC1C b73c12ccc1c82e074b07aee146d5255a [0,1,0,1,0,0|2,0,0]=4 20667 B13R1.167 CC(=O)NCCCN1CCC[C@@H]1C 7edc2fd8618bf6086b7fd8688abd057e [0,1,0,1,0,0|2,0,0]=4 20668 B13R1.167 CC(=O)NCCCN1CCC[C@H]1C e679d8096b0cf8d2c562d91405d566f1 [0,1,0,1,0,0|2,0,0]=4 20669 B13R1.167 CC(=O)NCCOC1CCCC1C 438734d3d86e59978766127ffde98eb1 [0,1,0,1,0,0|2,0,0]=4 20670 B13R1.167 CC(=O)NCCO[C@@H]1CCC[C@@H]1C 0f04243ce68007f375a74d07441760d4 [0,1,0,1,0,0|2,0,0]=4 20671 B13R1.167 CC(=O)NCCO[C@@H]1CCC[C@H]1C 20a43fa645544c16de0d901c5855b78a [0,1,0,1,0,0|2,0,0]=4 20672 B13R1.167 CC(=O)NCCO[C@H]1CCC[C@@H]1C c8acb71a6b22f6a763788af08cb9a4c7 [0,1,0,1,0,0|2,0,0]=4 20673 B13R1.167 CC(=O)NCCO[C@H]1CCC[C@H]1C 916933f17e19116eb96933d7552c2840 [0,1,0,1,0,0|2,0,0]=4 20674 B13R1.167 CC(=O)OCCCN1CCCC1C 785d41d30490b2f76d6f6d76e63a3ddc [0,1,0,1,0,0|2,0,0]=4 20675 B13R1.167 CC(=O)OCCCN1CCC[C@@H]1C 46b4710e902830d0fd0f2e3349eae2a2 [0,1,0,1,0,0|2,0,0]=4 20676 B13R1.167 CC(=O)OCCCN1CCC[C@H]1C 76ce846846b52694b384d10a91a9586c [0,1,0,1,0,0|2,0,0]=4 20677 B13R1.167 CC(=O)OCCOC1CCCC1C 1c4a7e3c18590dd27a75c123fa545f45 [0,1,0,1,0,0|2,0,0]=4 20678 B13R1.167 CC(=O)OCCO[C@@H]1CCC[C@@H]1C 32ecd0ab11d445abc854423cc0fd24c2 [0,1,0,1,0,0|2,0,0]=4 20679 B13R1.167 CC(=O)OCCO[C@@H]1CCC[C@H]1C c37977ebe4daf1b72adb7a0e6caae77e [0,1,0,1,0,0|2,0,0]=4 20680 B13R1.167 CC(=O)OCCO[C@H]1CCC[C@@H]1C 77d9d3ee8ca82c35d2a50086eed66b65 [0,1,0,1,0,0|2,0,0]=4 20681 B13R1.167 CC(=O)OCCO[C@H]1CCC[C@H]1C 275300c749eb07c89a47bda32552be02 [0,1,0,1,0,0|2,0,0]=4 20682 B13R1.167 CC(=O)OCOCC1CCCC1C 5a2dd7edea045f48bded759bfc6b4a6b [0,1,0,1,0,0|2,0,0]=4 20683 B13R1.167 CC(=O)SCCCN1CCCC1C 35280b81bd0dde553d676cc8fb4164ed [0,1,0,1,0,0|2,0,0]=4 20684 B13R1.167 CC(=O)SCCCN1CCC[C@@H]1C 89ffc43b9ec1d81311c449fb8d249a3e [0,1,0,1,0,0|2,0,0]=4 20685 B13R1.167 CC(=O)SCCCN1CCC[C@H]1C c6507c097a64261e7f0eec77964731c8 [0,1,0,1,0,0|2,0,0]=4 20686 B13R1.167 CC(=O)SCCOC1CCCC1C 7eb37926317844021959488aef8b1d83 [0,1,0,1,0,0|2,0,0]=4 20687 B13R1.167 CC(=O)SCCO[C@@H]1CCC[C@@H]1C e3aba827e987b42914f2553cd7f58926 [0,1,0,1,0,0|2,0,0]=4 20688 B13R1.167 CC(=O)SCCO[C@@H]1CCC[C@H]1C ecf535b905325df2fcb8080a6b071887 [0,1,0,1,0,0|2,0,0]=4 20689 B13R1.167 CC(=O)SCCO[C@H]1CCC[C@@H]1C b48a2f547485e2cadde06f328e1f1f76 [0,1,0,1,0,0|2,0,0]=4 20690 B13R1.167 CC(=O)SCCO[C@H]1CCC[C@H]1C 2c33180a959ef94572ecfd5c076888b1 [0,1,0,1,0,0|2,0,0]=4 20691 B13R1.167 CC(O)CCCCN1CCCC1C f9c4d2a5f6eb40edec97b797af2eaaa3 [0,1,0,1,0,0|1,0,1]=4 20692 B13R1.167 CC(O)CCCCN1CCC[C@@H]1C 952efbe63be71fa8fb051de1381f9c60 [0,1,0,1,0,0|1,0,1]=4 20693 B13R1.167 CC(O)CCCCN1CCC[C@H]1C 0168233fbf7c013ef21d87823f6ff19e [0,1,0,1,0,0|1,0,1]=4 20694 B13R1.167 CC1CCCC1COCCC(=O)N 0db5c281cfd8798f7080551abf021df3 [0,1,0,1,0,0|1,0,0]=3 20695 B13R1.167 CC1CCCC1COCCC(=O)O 16b9f2779489c7c7e8a713b6f75b0ed4 [0,1,0,1,0,0|0,0,0]=2 20696 B13R1.167 CC1CCCC1COCCS(=O)C bfd9fbf6c17fc886a9ec7649ece6d4f1 [0,1,0,1,0,0|2,0,0]=4 20697 B13R1.167 CC1CCCC1COCSC(=O)N 38e3055e8e61a57bbf5daefeb3f46bcc [0,1,0,1,0,0|2,0,0]=4 20698 B13R1.167 CC1CCCC1OC/C=C/C(=O)O 07b7f61df39d48faf0528ad68423148f [0,1,0,1,0,0|0,0,2]=4 20699 B13R1.167 CC1CCCC1OCC=CC(=O)O 292424a3f2a8d59fff6f3976a8516cee [0,1,0,1,0,0|0,0,2]=4 20700 B13R1.167 CC1CCCC1OCCCC(=O)N 75618470efcf094b47618808baa2a5fb [0,1,0,1,0,0|1,0,0]=3 20701 B13R1.167 CC1CCCC1OCCCC(=O)O 5e40d7cde00a6b7e108959d03a33d7d6 [0,1,0,1,0,0|0,0,0]=2 20702 B13R1.167 CC1CCCC1OCCC[N+](=O)[O-] fb2f053432e95ea5b4200584b96042aa [0,1,0,1,0,0|1,0,1]=4 20703 B13R1.167 CC1CCCC1OCCNC(=O)N 78fecbd6aeba97564c8a2858dc75df3d [0,1,0,1,0,0|2,0,0]=4 20704 B13R1.167 CC1CCCN1CCCCC(=O)N be7c3c934531e9aae1a39759dbb3e768 [0,1,0,1,0,0|1,0,0]=3 20705 B13R1.167 CC1CCCN1CCCCC(=O)O 3fcfa4e118495a817317095903fc69d3 [0,1,0,1,0,0|0,0,0]=2 20706 B13R1.167 CC1CCCN1CCCC[C@@H](C)O 2a629ce64d47c6befecbfce52cb23f13 [0,1,0,1,0,0|1,0,1]=4 20707 B13R1.167 CC1CCCN1CCOCC(=O)N 2c9f2fb891a70ca9081e722760cd09f6 [0,1,0,1,0,0|2,0,0]=4 20708 B13R1.167 CC1CCCN1CCOCC(=O)O 8568fc8eda1d51a87bdac60d835ff7e8 [0,1,0,1,0,0|1,0,0]=3 20709 B13R1.167 CC1CCOC1COCCC(=O)N 885f847c5483679ed07e768185375996 [0,1,0,1,0,0|2,0,0]=4 20710 B13R1.167 CC1CCOC1COCCC(=O)O 3b6bb27fcd122e49deb695ec0ceba14a [0,1,0,1,0,0|1,0,0]=3 20711 B13R1.167 CC1COCC1CNCCC(=O)N ac1e89661acca51e17887bcf1fe25b42 [0,1,0,1,0,0|2,0,0]=4 20712 B13R1.167 CC1COCC1CNCCC(=O)O e93ee2fa64a5f9fe9b3c0a26710c1bfb [0,1,0,1,0,0|1,0,0]=3 20713 B13R1.167 CC1COCC1CNCCS(=O)O 28098303ee99874a3f8a4a8413f5b77b [0,1,0,1,0,0|2,0,0]=4 20714 B13R1.167 CC1COCC1COCCC(=O)N 829303d69963c2015f46db98fd4b79be [0,1,0,1,0,0|2,0,0]=4 20715 B13R1.167 CC1COCC1COCCC(=O)O 914ba2d58c4a82a3e6fc8c95c4d35faa [0,1,0,1,0,0|1,0,0]=3 20716 B13R1.167 CC1COCC1OCCCC(=O)N fc376fd338e1241fd35f34fd74c6978d [0,1,0,1,0,0|2,0,0]=4 20717 B13R1.167 CC1COCC1OCCCC(=O)O b2799f47dd35ea15b15e4546d6b478cf [0,1,0,1,0,0|1,0,0]=3 20718 B13R1.167 CC1SCCN1CCCCC(=O)N 5f4267ce0f56ea8c14dc786098e52c23 [0,1,0,1,0,0|2,0,0]=4 20719 B13R1.167 CN1CCCC1CCNCC(=O)N ab17b7231e50da6293df3ae25fae9fe3 [0,1,0,1,0,0|2,0,0]=4 20720 B13R1.167 CN1CCCC1CCNCC(=O)O fd56bee736ae6557da764d75cdd5472b [0,1,0,1,0,0|1,0,0]=3 20721 B13R1.167 CN1CCCC1CCOCC(=O)N ca845d51fb3fe309aac8a96dfc3398b1 [0,1,0,1,0,0|2,0,0]=4 20722 B13R1.167 CN1CCCC1CCOCC(=O)O 7352a4ab167f77e507d826064efd3fe6 [0,1,0,1,0,0|1,0,0]=3 20723 B13R1.167 CN1CCCC1CCOCS(=O)O 175b9b747a3544ebc1adf27bd71ca9c3 [0,1,0,1,0,0|2,0,0]=4 20724 B13R1.167 CN1CCCC1CNCCC(=O)N 44da1a508498dfeb030bf6af7b070c6a [0,1,0,1,0,0|2,0,0]=4 20725 B13R1.167 CN1CCCC1CNCCC(=O)O 04af2b9e8c486207ebed653aca2a728e [0,1,0,1,0,0|1,0,0]=3 20726 B13R1.167 CN1CCCC1COCCC(=O)N c2054618287ae69e2534b6a61bdd8b61 [0,1,0,1,0,0|2,0,0]=4 20727 B13R1.167 CN1CCCC1COCCC(=O)O 39383356caedbadfadfb707a75256dd1 [0,1,0,1,0,0|1,0,0]=3 20728 B13R1.167 CN1CCC[C@@H]1CCNCC(=O)N 919e019c4b5125b53511e42efd55c0ee [0,1,0,1,0,0|2,0,0]=4 20729 B13R1.167 CN1CCC[C@@H]1CCNCC(=O)O 7d9e4c0de9c94d4b449329ec3d570593 [0,1,0,1,0,0|1,0,0]=3 20730 B13R1.167 CN1CCC[C@@H]1CCOCC(=O)N 5a78c9c59db514d6258b39277d991861 [0,1,0,1,0,0|2,0,0]=4 20731 B13R1.167 CN1CCC[C@@H]1CCOCC(=O)O f0f7246a6ecd9a51f8ad795e8487a005 [0,1,0,1,0,0|1,0,0]=3 20732 B13R1.167 CN1CCC[C@@H]1CNCCC(=O)N 826da048e6e8ace41479a5553ac6e582 [0,1,0,1,0,0|2,0,0]=4 20733 B13R1.167 CN1CCC[C@@H]1CNCCC(=O)O 41c3b30bf23b527ac9a577c2fc714ba8 [0,1,0,1,0,0|1,0,0]=3 20734 B13R1.167 CN1CCC[C@@H]1COCCC(=O)N cc004d36debfae91da618c4a844ff277 [0,1,0,1,0,0|2,0,0]=4 20735 B13R1.167 CN1CCC[C@@H]1COCCC(=O)O c6f951837a3a78823f0ae6a3f7ace5be [0,1,0,1,0,0|1,0,0]=3 20736 B13R1.167 CN1CCC[C@H]1CCNCC(=O)N 4fcb58604c872e1f6f4d543cfbcfb9aa [0,1,0,1,0,0|2,0,0]=4 20737 B13R1.167 CN1CCC[C@H]1CCNCC(=O)O 7c447bbfc9f8e32429c3c663bd79935c [0,1,0,1,0,0|1,0,0]=3 20738 B13R1.167 CN1CCC[C@H]1CCOCC(=O)N 530a5a1e8c77f30e2f9592c7814760d8 [0,1,0,1,0,0|2,0,0]=4 20739 B13R1.167 CN1CCC[C@H]1CCOCC(=O)O 02ed723c3d64d3865b0a702a2b606307 [0,1,0,1,0,0|1,0,0]=3 20740 B13R1.167 CN1CCC[C@H]1CNCCC(=O)N b1c42bc5d7086aecd9744c30b6b10f87 [0,1,0,1,0,0|2,0,0]=4 20741 B13R1.167 CN1CCC[C@H]1CNCCC(=O)O a7b88072d64ccb58d0ab5d7224445371 [0,1,0,1,0,0|1,0,0]=3 20742 B13R1.167 CN1CCC[C@H]1COCCC(=O)N 7351ddac1100966abd99e69b00847061 [0,1,0,1,0,0|2,0,0]=4 20743 B13R1.167 CN1CCC[C@H]1COCCC(=O)O c668cd11dd665da8074927e2456cbdfd [0,1,0,1,0,0|1,0,0]=3 20744 B13R1.167 C[C@@H](O)CCCCN1CCC[C@@H]1C 0d04dc4b30a01d9289683bc93968d710 [0,1,0,1,0,0|1,0,1]=4 20745 B13R1.167 C[C@@H]1CCCN1CCCCC(=O)N 6d7de5909f1f93604ab7ec688ac137cc [0,1,0,1,0,0|1,0,0]=3 20746 B13R1.167 C[C@@H]1CCCN1CCCCC(=O)O 4b12038ffaaaa827e8182706427ec881 [0,1,0,1,0,0|0,0,0]=2 20747 B13R1.167 C[C@@H]1CCCN1CCCC[C@@H](C)O 7f3e4d2dc2961050b3e34cd2e58c8aca [0,1,0,1,0,0|1,0,1]=4 20748 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)N 4b634b7c531260681f1f3b83506c259a [0,1,0,1,0,0|2,0,0]=4 20749 B13R1.167 C[C@@H]1CCCN1CCOCC(=O)O 7612cb656fcacb269f471852111b3614 [0,1,0,1,0,0|1,0,0]=3 20750 B13R1.167 C[C@@H]1CCC[C@@H]1OC/C=C/C(=O)O b08c297a4d7f3fb1c01102e1a9e4e1db [0,1,0,1,0,0|0,0,2]=4 20751 B13R1.167 C[C@@H]1CCC[C@@H]1OCC=CC(=O)O 0b7c1c6b8b4f04f0456657a60bcfe473 [0,1,0,1,0,0|0,0,2]=4 20752 B13R1.167 C[C@@H]1CCC[C@@H]1OCCCC(=O)N 09168614ea7067cc27547fcf4af04557 [0,1,0,1,0,0|1,0,0]=3 20753 B13R1.167 C[C@@H]1CCC[C@@H]1OCCCC(=O)O 78e1eee664bb45b0b1472584adc5d5e3 [0,1,0,1,0,0|0,0,0]=2 20754 B13R1.167 C[C@@H]1CCC[C@@H]1OCCC[N+](=O)[O-] b4d2e749266c9dacf68dabb3ae5d9302 [0,1,0,1,0,0|1,0,1]=4 20755 B13R1.167 C[C@@H]1CCC[C@@H]1OCCNC(=O)N abcf8995467fbda0236ca658864e5cbe [0,1,0,1,0,0|2,0,0]=4 20756 B13R1.167 C[C@@H]1CCC[C@H]1OC/C=C/C(=O)O 8a86c86c0b623cc12bd1c88ea945efcb [0,1,0,1,0,0|0,0,2]=4 20757 B13R1.167 C[C@@H]1CCC[C@H]1OCC=CC(=O)O 4b6ec5e6b39f4bb3a24f2483b01b71b6 [0,1,0,1,0,0|0,0,2]=4 20758 B13R1.167 C[C@@H]1CCC[C@H]1OCCCC(=O)N d489ccdd9b8a30e3e093ca9e878c7aa0 [0,1,0,1,0,0|1,0,0]=3 20759 B13R1.167 C[C@@H]1CCC[C@H]1OCCCC(=O)O c650039148aaf5e09f6294a091823911 [0,1,0,1,0,0|0,0,0]=2 20760 B13R1.167 C[C@@H]1CCC[C@H]1OCCC[N+](=O)[O-] f29ecf46c0a46a7313e83c429032d2a6 [0,1,0,1,0,0|1,0,1]=4 20761 B13R1.167 C[C@@H]1CCC[C@H]1OCCNC(=O)N fc4ef035d177accfea40dea54db7b70f [0,1,0,1,0,0|2,0,0]=4 20762 B13R1.167 C[C@@H]1COC[C@@H]1OCCCC(=O)N edb820666846426ce0d0a4ab2de8ce4b [0,1,0,1,0,0|2,0,0]=4 20763 B13R1.167 C[C@@H]1COC[C@@H]1OCCCC(=O)O be03ef31d92dfd644d0f5e6002d38d8c [0,1,0,1,0,0|1,0,0]=3 20764 B13R1.167 C[C@H]1CCCN1CCCCC(=O)N d05872bd303f4cc88160b0f4f0fc1385 [0,1,0,1,0,0|1,0,0]=3 20765 B13R1.167 C[C@H]1CCCN1CCCCC(=O)O 4a13c5df6c02724fe25bf0750f0a2ab1 [0,1,0,1,0,0|0,0,0]=2 20766 B13R1.167 C[C@H]1CCCN1CCOCC(=O)N 588819e736b1ceb466e82c4e518d742a [0,1,0,1,0,0|2,0,0]=4 20767 B13R1.167 C[C@H]1CCCN1CCOCC(=O)O bee9cc8411384e3318c7a7c52886c29f [0,1,0,1,0,0|1,0,0]=3 20768 B13R1.167 C[C@H]1CCC[C@@H]1OC/C=C/C(=O)O 5857b9f3fa0fd3e71b844f1d0b69d94f [0,1,0,1,0,0|0,0,2]=4 20769 B13R1.167 C[C@H]1CCC[C@@H]1OCC=CC(=O)O c87752bf547b50cb0db3f8d73f0eef5b [0,1,0,1,0,0|0,0,2]=4 20770 B13R1.167 C[C@H]1CCC[C@@H]1OCCCC(=O)N b711a8db0039a130b2328d651a4b2cc7 [0,1,0,1,0,0|1,0,0]=3 20771 B13R1.167 C[C@H]1CCC[C@@H]1OCCCC(=O)O ff2677dc9b7f6ac8127375747b8a2c14 [0,1,0,1,0,0|0,0,0]=2 20772 B13R1.167 C[C@H]1CCC[C@@H]1OCCC[N+](=O)[O-] 7db089406f291f95bc79af40509388a9 [0,1,0,1,0,0|1,0,1]=4 20773 B13R1.167 C[C@H]1CCC[C@@H]1OCCNC(=O)N b08280297c5f2cc0b3494181bd82b7b8 [0,1,0,1,0,0|2,0,0]=4 20774 B13R1.167 C[C@H]1CCC[C@H]1OC/C=C/C(=O)O ba80f479ce88414e92922d95889f6dd6 [0,1,0,1,0,0|0,0,2]=4 20775 B13R1.167 C[C@H]1CCC[C@H]1OCC=CC(=O)O 5257dc01af3eb4afc5660e230a60f443 [0,1,0,1,0,0|0,0,2]=4 20776 B13R1.167 C[C@H]1CCC[C@H]1OCCCC(=O)N 883015ddce735e6702ec9a15f7ce000f [0,1,0,1,0,0|1,0,0]=3 20777 B13R1.167 C[C@H]1CCC[C@H]1OCCCC(=O)O d174c1108a7d1608f5f07c5ec0e3faa4 [0,1,0,1,0,0|0,0,0]=2 20778 B13R1.167 C[C@H]1CCC[C@H]1OCCC[N+](=O)[O-] e2de3649b9a57f765227288a6d7ec573 [0,1,0,1,0,0|1,0,1]=4 20779 B13R1.167 C[C@H]1CCC[C@H]1OCCNC(=O)N 4d4ec0a40b647613fd917da94eb8f8a9 [0,1,0,1,0,0|2,0,0]=4 20780 B13R1.167 C[C@H]1COC[C@@H]1OCCCC(=O)N 7975642e4a3e4dc67b05beffe4d02277 [0,1,0,1,0,0|2,0,0]=4 20781 B13R1.167 C[C@H]1COC[C@@H]1OCCCC(=O)O 964e160cd8180ef3b408073d69dcc144 [0,1,0,1,0,0|1,0,0]=3 20782 B13R1.167 C[C@H]1COC[C@H]1OCCCC(=O)N 0f193d04e2b7c7153ecc3cfb18702f4d [0,1,0,1,0,0|2,0,0]=4 20783 B13R1.167 C[C@H]1COC[C@H]1OCCCC(=O)O bfb8d875e9a7eb939a01856ac9dbb1ef [0,1,0,1,0,0|1,0,0]=3 20784 B13R1.167 C[C@H]1OCC[C@H]1COCCC(=O)N 58b406f3005ce8c0ab2628584abf2015 [0,1,0,1,0,0|2,0,0]=4 20785 B13R1.167 C[C@H]1OCC[C@H]1COCCC(=O)O 4fde9551369b800da8897ddf4073b6c3 [0,1,0,1,0,0|1,0,0]=3 20786 B13R1.167 NC(=O)CCCCN1CCCC1O 609b08960df7d78a663033c8b215b3d5 [0,1,0,1,0,0|2,0,0]=4 20787 B13R1.167 NC(=O)CCCNC1CCCC1O 2c2c2486edf56f5dfdc0fd75dc151f05 [0,1,0,1,0,0|2,0,0]=4 20788 B13R1.167 NC(=O)CCCN[C@@H]1CCC[C@@H]1O 8a4dabde3529619c22896bf1b85f6aaa [0,1,0,1,0,0|2,0,0]=4 20789 B13R1.167 NC(=O)CCCN[C@@H]1CCC[C@H]1O 284357a809cdd8e4a900d26d7b8bdc96 [0,1,0,1,0,0|2,0,0]=4 20790 B13R1.167 NC(=O)CCCN[C@H]1CCC[C@@H]1O e2a7ac57d1e5d225cffa9f45323b8988 [0,1,0,1,0,0|2,0,0]=4 20791 B13R1.167 NC(=O)CCCN[C@H]1CCC[C@H]1O f101ee3508edf5d283d9360f1360fe83 [0,1,0,1,0,0|2,0,0]=4 20792 B13R1.167 NC(=O)CCCO[C@@H]1CCC[C@H]1F a231e85d7ee08d86ce54183a9321345d [0,1,0,1,0,0|2,0,0]=4 20793 B13R1.167 NC(=O)CCNCC1CCCC1O 26eac3b297f4a122f3540330c03545d2 [0,1,0,1,0,0|2,0,0]=4 20794 B13R1.167 NC(=O)CCOC[C@@H]1CCC[C@H]1F dfabfded8526b5f412326d052a1fcd9e [0,1,0,1,0,0|2,0,0]=4 20795 B13R1.167 O=C(O)CCCCN1CCCC1O 5571fbec82c85e8f9e95216b47d44dae [0,1,0,1,0,0|1,0,0]=3 20796 B13R1.167 O=C(O)CCCNC1CCCC1O 657556061cb0e72b40a888e8a1a1f4a3 [0,1,0,1,0,0|1,0,0]=3 20797 B13R1.167 O=C(O)CCCNC1COCC1O 0914d65e23286457b1b133d8d4a5babd [0,1,0,1,0,0|2,0,0]=4 20798 B13R1.167 O=C(O)CCCN[C@@H]1CCC[C@@H]1O 3e9c16d0e5e500384e3d4576608fd371 [0,1,0,1,0,0|1,0,0]=3 20799 B13R1.167 O=C(O)CCCN[C@@H]1CCC[C@H]1O 30b0f6ebffbb13271eae6ae3dd71b350 [0,1,0,1,0,0|1,0,0]=3 20800 B13R1.167 O=C(O)CCCN[C@@H]1COC[C@@H]1O e95b7ddf23b043cd734d99ea20165e0b [0,1,0,1,0,0|2,0,0]=4 20801 B13R1.167 O=C(O)CCCN[C@@H]1COC[C@H]1O 1778387e33c16134983c9f7eca0b36d1 [0,1,0,1,0,0|2,0,0]=4 20802 B13R1.167 O=C(O)CCCN[C@H]1CCC[C@@H]1O 613cb2a520fdb40f774cf331fdfc5e4d [0,1,0,1,0,0|1,0,0]=3 20803 B13R1.167 O=C(O)CCCN[C@H]1CCC[C@H]1O f7f646cb2c69386b0ce363f3dc6ccf94 [0,1,0,1,0,0|1,0,0]=3 20804 B13R1.167 O=C(O)CCCN[C@H]1COC[C@@H]1O e4c7e208d50c8457d8444ca62ee42d05 [0,1,0,1,0,0|2,0,0]=4 20805 B13R1.167 O=C(O)CCCN[C@H]1COC[C@H]1F 8efc7e35e7183cb0eaeecf2cbfcf123c [0,1,0,1,0,0|2,0,0]=4 20806 B13R1.167 O=C(O)CCCN[C@H]1COC[C@H]1O 667781c27882b2407a6baa8f9b4a1b2f [0,1,0,1,0,0|2,0,0]=4 20807 B13R1.167 O=C(O)CCCOC1COCC1F 50c5490528db0f4ff58afe14d4420d17 [0,1,0,1,0,0|2,0,0]=4 20808 B13R1.167 O=C(O)CCCO[C@@H]1CCC[C@H]1F ed276dcd57da74e6e91954f1bedce241 [0,1,0,1,0,0|1,0,0]=3 20809 B13R1.167 O=C(O)CCCO[C@@H]1COC[C@H]1F 9a50c3d80dbc2115475f8b6f968478e7 [0,1,0,1,0,0|2,0,0]=4 20810 B13R1.167 O=C(O)CCCO[C@H]1COC[C@H]1F f3cd4e19c4e2780dc2eb96d73eadc708 [0,1,0,1,0,0|2,0,0]=4 20811 B13R1.167 O=C(O)CCNCC1CCCC1O 803e3f07405606d246fa6c4b3dd8973d [0,1,0,1,0,0|1,0,0]=3 20812 B13R1.167 O=C(O)CCNC[C@@H]1COC[C@@H]1O 3400d6a8313fd89f7ff4a6a49a35fa4f [0,1,0,1,0,0|2,0,0]=4 20813 B13R1.167 O=C(O)CCOCC1CCCC1=O d4e48e31b5693f3afb0ec70670a20e36 [0,1,0,1,0,0|1,0,1]=4 20814 B13R1.167 O=C(O)CCOC[C@@H]1CCC[C@H]1F 71d6cd9bda382642434107912c45a8ff [0,1,0,1,0,0|1,0,0]=3 20815 B13R1.167 O=C(O)COCCN1CCCC1O a1f20814b24c1e2a58fd6aab43c9cfb3 [0,1,0,1,0,0|2,0,0]=4 20816 B13R1.193 CCCCCNC1CCCC1(C)O 37ea65ba40126dfcdbcde1ca58daddb1 [0,1,0,1,0,0|1,0,1]=4 20817 B13R1.193 CCCCCN[C@@H]1CCC[C@@]1(C)O 07b0d5830e18b16e911fdc8ef20667ee [0,1,0,1,0,0|1,0,1]=4 20818 B13R1.193 CCCCCN[C@H]1CCC[C@]1(C)O 7a67d4620475c3b21ad2672b6291ffbb [0,1,0,1,0,0|1,0,1]=4 20819 B13R1.193 CCCCOCC1CCCS1(=O)=O 075fe20531418d3478fe3ea2337838ac [0,1,0,1,0,0|1,0,1]=4 20820 B13R1.218 CC(=O)CCCN1CCC1CCO 6f899f4c794924924ea7bf9f1d99005d [0,1,0,1,0,0|2,0,0]=4 20821 B13R1.218 COCC1CCN1CCCC(=O)C 0b3010acb64a6b724dbc7ca008ba2581 [0,1,0,1,0,0|2,0,0]=4 20822 B13R1.218 COCC1CCN1CCCC(=O)N ed3b4815e9b8d35b0132214c1ad27e7d [0,1,0,1,0,0|2,0,0]=4 20823 B13R1.218 COCC1CCN1CCCC(=O)O f2cdf0f0a6114b33a3cc76603a2761f8 [0,1,0,1,0,0|1,0,0]=3 20824 B13R1.218 COC[C@@H]1CCN1CCCC(=O)C e64596f2258ce7361b154d5efffa13f7 [0,1,0,1,0,0|2,0,0]=4 20825 B13R1.218 COC[C@@H]1CCN1CCCC(=O)N 3b8102a2c4356e37091a5597502ff40c [0,1,0,1,0,0|2,0,0]=4 20826 B13R1.218 COC[C@@H]1CCN1CCCC(=O)O 7e379022d093745b6570459b799eee96 [0,1,0,1,0,0|1,0,0]=3 20827 B13R1.218 COC[C@H]1CCN1CCCC(=O)C 850f66ede106563806c76908866d57df [0,1,0,1,0,0|2,0,0]=4 20828 B13R1.218 COC[C@H]1CCN1CCCC(=O)N b5ca5eb05350fbe1eb623e27746f05f9 [0,1,0,1,0,0|2,0,0]=4 20829 B13R1.218 COC[C@H]1CCN1CCCC(=O)O 79fcfccb898ef1394b406b8688fa94d4 [0,1,0,1,0,0|1,0,0]=3 20830 B13R1.218 NC(=O)CCCN1CCC1CCO ccdbbe5657b027f4f81322f4fa828ca2 [0,1,0,1,0,0|2,0,0]=4 20831 B13R1.218 O=C(O)CCCN1CCC1CCO 49c92d1ae334188f913600b796dc7f77 [0,1,0,1,0,0|1,0,0]=3 20832 B13R1.224 C#CCN1CCCCCC1C(=O)O cf470a5a309704ab3118dfe937049c89 [0,1,0,1,0,0|0,0,2]=4 20833 B13R1.224 C#CCN1CCCCC[C@@H]1C(=O)O 6ae7e2d0fe6e3b7648f320a79d421e69 [0,1,0,1,0,0|0,0,2]=4 20834 B13R1.224 C#CCN1CCCCC[C@H]1C(=O)O 17853d76aa33b52408f4774f4c9a7eee [0,1,0,1,0,0|0,0,2]=4 20835 B13R1.224 C=CCN1CCCCCC1C(=O)O 52782a65e2c59411f8c6c457cbacd893 [0,1,0,1,0,0|0,0,2]=4 20836 B13R1.224 C=CCN1CCCCC[C@@H]1C(=O)O e0b3c3aa3c9a2557875ddc5214194895 [0,1,0,1,0,0|0,0,2]=4 20837 B13R1.224 C=CCN1CCCCC[C@H]1C(=O)O 297a1da05ee811f011796863f4169ac1 [0,1,0,1,0,0|0,0,2]=4 20838 B13R1.224 CCCN1CCCCCC1C(=O)O 9cde5800c737fb793388021fe86bffeb [0,1,0,1,0,0|0,0,0]=2 20839 B13R1.224 CCCN1CCCCC[C@@H]1C(=O)O 20d4334221962889fe3c3201c63574e4 [0,1,0,1,0,0|0,0,0]=2 20840 B13R1.224 CCCN1CCCCC[C@H]1C(=O)O 506d9c2aecf971b754b046056f7f351a [0,1,0,1,0,0|0,0,0]=2 20841 B13R1.224 CCCN1CCCOCC1C(=O)O d8c8451a733895fcc6ba96aa57d2d56a [0,1,0,1,0,0|1,0,0]=3 20842 B13R1.224 COCN1CCCCCC1C(=O)O b4744f736d2ec7a68aabd7d006d32144 [0,1,0,1,0,0|1,0,0]=3 20843 B13R1.224 COCN1CCCCC[C@@H]1C(=O)O 35e986ccfbe08fc178a33a0e7e5483ba [0,1,0,1,0,0|1,0,0]=3 20844 B13R1.224 COCN1CCCCC[C@H]1C(=O)O 4b33b1ef22488921af9b407812190d2d [0,1,0,1,0,0|1,0,0]=3 20845 B13R1.224 COCN1CCCOCC1C(=O)O d9d6be92ebf5ac036f5ca5c45c70351c [0,1,0,1,0,0|2,0,0]=4 20846 B13R1.224 CSCN1CCCCCC1C(=O)O d61de447b0e1553fd45ce31e6b50e3b7 [0,1,0,1,0,0|1,0,0]=3 20847 B13R1.224 CSCN1CCCCC[C@@H]1C(=O)O 0343d7776f883de5d0fd5e957d3bf21c [0,1,0,1,0,0|1,0,0]=3 20848 B13R1.224 CSCN1CCCCC[C@H]1C(=O)O f5d60aca5b16192caee587c65bb54848 [0,1,0,1,0,0|1,0,0]=3 20849 B13R1.224 CSCN1CCCOCC1C(=O)O d6e08576fd4a78c8e6b845425dcdd753 [0,1,0,1,0,0|2,0,0]=4 20850 B13R1.224 N#CCN1CCCCCC1C(=O)O c652bd2eda3f80f5900fbc5d2864863e [0,1,0,1,0,0|1,0,1]=4 20851 B13R1.224 N#CCN1CCCCC[C@@H]1C(=O)O 064188d2d2a7e6c6938ccfb3b878a393 [0,1,0,1,0,0|1,0,1]=4 20852 B13R1.224 N#CCN1CCCCC[C@H]1C(=O)O db55be1c5709a41de8912fa6a18d6acb [0,1,0,1,0,0|1,0,1]=4 20853 B13R1.224 O=C(O)C1CCCCCN1CCF 6a63a5624c8db1807262c1c0aac3489b [0,1,0,1,0,0|1,0,0]=3 20854 B13R1.224 O=C(O)C1CCCCCN1CCO 0c86c2f35eb80614835bafe6c5aa304e [0,1,0,1,0,0|1,0,0]=3 20855 B13R1.224 O=C(O)C1CCCCCN1CCS 9fb6b7da19f8d5cda47370b835f672ca [0,1,0,1,0,0|1,0,0]=3 20856 B13R1.224 O=C(O)C1COCCCN1CCF 51d24f2bd35bc1bb2b096dcde0b21a52 [0,1,0,1,0,0|2,0,0]=4 20857 B13R1.224 O=C(O)C1COCCCN1CCO 0dcbe52b3e1d545fdd3ae48743da3da8 [0,1,0,1,0,0|2,0,0]=4 20858 B13R1.224 O=C(O)C1COCCCN1CCS 8ff8c3a8536fac3cd621711f6f2d96e7 [0,1,0,1,0,0|2,0,0]=4 20859 B13R1.224 O=C(O)[C@@H]1CCCCCN1CCF b6925ddfc4b2befc783bf51090af2da2 [0,1,0,1,0,0|1,0,0]=3 20860 B13R1.224 O=C(O)[C@@H]1CCCCCN1CCO af762c973c1263409d63ffa05e4aa5a9 [0,1,0,1,0,0|1,0,0]=3 20861 B13R1.224 O=C(O)[C@@H]1CCCCCN1CCS 615e07ec15c993bc66b1754e2e8f2ae6 [0,1,0,1,0,0|1,0,0]=3 20862 B13R1.224 O=C(O)[C@H]1CCCCCN1CCF 4781c7f95a853cb28d2c57d9929e023d [0,1,0,1,0,0|1,0,0]=3 20863 B13R1.224 O=C(O)[C@H]1CCCCCN1CCO e6eaf4ac64926d773d6a24c5ac38b4c6 [0,1,0,1,0,0|1,0,0]=3 20864 B13R1.224 O=C(O)[C@H]1CCCCCN1CCS 36d6a1903ac5f8a6fb781a0b22215a27 [0,1,0,1,0,0|1,0,0]=3 20865 B13R1.224 O=CCN1CCCCCC1C(=O)O bb1fb64df07595359d0c40a0a51d4c6e [0,1,0,1,0,0|1,0,1]=4 20866 B13R1.224 O=CCN1CCCCC[C@@H]1C(=O)O 3cce895b8a70ba39b8d426d70269711f [0,1,0,1,0,0|1,0,1]=4 20867 B13R1.224 O=CCN1CCCCC[C@H]1C(=O)O 0600f13650f8407a448b8ec9491ff9d0 [0,1,0,1,0,0|1,0,1]=4 20868 B13R1.283 CC(=O)N[C@H]1CCCCCC[C@@H]1O 3571539dc0f2c3ee744abd0c4178570f [0,1,0,1,0,0|2,0,0]=4 20869 B13R1.343 C=C(Br)CCOCCC1CCCC1 a67bf544337614d598d7abf6fd05ea1f [0,1,0,1,0,0|2,0,0]=4 20870 B13R1.343 C=C(Br)CNCCCC1CCCC1 afd37ff40aa7ac2a30bce4a5dfc7fe97 [0,1,0,1,0,0|2,0,0]=4 20871 B13R1.343 C=C(Br)COCCCC1CCCC1 c28cd83bb5cb398d17ee29bf9a45be02 [0,1,0,1,0,0|2,0,0]=4 20872 B13R1.343 C=C(C)CCCNCC1CCCC1 046ba43f8864a1f9808f9acf05dc5d30 [0,1,0,1,0,0|2,0,0]=4 20873 B13R1.343 C=C(C)CCCOCC1CCCC1 792af48af2849b4375b8f19b8355fee7 [0,1,0,1,0,0|2,0,0]=4 20874 B13R1.343 C=C(C)CCNCCC1CCCC1 0120562ae5927b08d87db002e023864e [0,1,0,1,0,0|2,0,0]=4 20875 B13R1.343 C=C(C)CCOCCC1CCCC1 c983835172f7b36fbe6bf534583bf087 [0,1,0,1,0,0|2,0,0]=4 20876 B13R1.343 C=C(C)CNCCCC1CCCC1 b43480782694c567481f1de06d543aed [0,1,0,1,0,0|2,0,0]=4 20877 B13R1.343 C=C(C)COCCCC1CCCC1 e4ef05fb28356e0d1967ae84a8f59454 [0,1,0,1,0,0|2,0,0]=4 20878 B13R1.343 C=C(Cl)CNCCCC1CCCC1 f99bc9cd72cdf743c1c82db669106246 [0,1,0,1,0,0|2,0,0]=4 20879 B13R1.343 C=C(Cl)COCCCC1CCCC1 978540c7298bc64b6cf191fbbeb64764 [0,1,0,1,0,0|2,0,0]=4 20880 B13R1.343 C=C(F)COCCCC1CCCC1 ad97148577b18e7229cca9e2df5dc1bf [0,1,0,1,0,0|2,0,0]=4 20881 B13R1.343 C=C(I)COCCCC1CCCC1 378be1fc3ab6b947c1ed3450347341d7 [0,1,0,1,0,0|2,0,0]=4 20882 B13R1.343 CC(=O)CCCCCN1CCSC1 c76aba1878e0400557a75cce14297cb1 [0,1,0,1,0,0|2,0,0]=4 20883 B13R1.343 CC(=O)CCCCNC1CCCC1 392bba383052bd4b3d66273d0e722720 [0,1,0,1,0,0|1,0,0]=3 20884 B13R1.343 CC(=O)CCCCNC1CCOC1 b122b3ccb8880560e56d7b7b10e73252 [0,1,0,1,0,0|2,0,0]=4 20885 B13R1.343 CC(=O)CCCCNC1CCSC1 8e8863ed76f60270dc6fb7a2a202de57 [0,1,0,1,0,0|2,0,0]=4 20886 B13R1.343 CC(=O)CCCCN[C@@H]1CCOC1 24d5e41d6097b27b73ebfbb1d385c4c6 [0,1,0,1,0,0|2,0,0]=4 20887 B13R1.343 CC(=O)CCCCN[C@H]1CCOC1 090d2dd4bf8f78570311e9178e71370f [0,1,0,1,0,0|2,0,0]=4 20888 B13R1.343 CC(=O)CCCCOC1CCCC1 194b85d175bc543191765c87280b8851 [0,1,0,1,0,0|1,0,0]=3 20889 B13R1.343 CC(=O)CCCCOC1CCCO1 bf44ccb6795cf6f0ed7e86df5be832b0 [0,1,0,1,0,0|2,0,0]=4 20890 B13R1.343 CC(=O)CCCCOC1CCOC1 fd2bf57825208393accada6b06b21d7c [0,1,0,1,0,0|2,0,0]=4 20891 B13R1.343 CC(=O)CCCCOC1CCSC1 bd0169c03c4366f1e5b25e9f8560706a [0,1,0,1,0,0|2,0,0]=4 20892 B13R1.343 CC(=O)CCCCO[C@@H]1CCOC1 c38e75262d6ee1fbb149eb964533ec83 [0,1,0,1,0,0|2,0,0]=4 20893 B13R1.343 CC(=O)CCCCO[C@@H]1CCSC1 189247b8f43e16988187ef064f58dd63 [0,1,0,1,0,0|2,0,0]=4 20894 B13R1.343 CC(=O)CCCCO[C@H]1CCOC1 96b37e77f9c7cd344513ebfac94dddcf [0,1,0,1,0,0|2,0,0]=4 20895 B13R1.343 CC(=O)CCCCO[C@H]1CCSC1 7b217a55991780987bb06020c1805b4c [0,1,0,1,0,0|2,0,0]=4 20896 B13R1.343 CC(=O)CCCNCC1CCCC1 f65740728a7303c1c975d363e7594a12 [0,1,0,1,0,0|1,0,0]=3 20897 B13R1.343 CC(=O)CCCNCC1CCCO1 f4174de4e8cbe9d9ac717092d45a468b [0,1,0,1,0,0|2,0,0]=4 20898 B13R1.343 CC(=O)CCCNCC1CCOC1 680b39b8d658aa541f9f523409572daa [0,1,0,1,0,0|2,0,0]=4 20899 B13R1.343 CC(=O)CCCNC[C@@H]1CCCO1 bda0b7db0be5f7b5df3c913acdab4915 [0,1,0,1,0,0|2,0,0]=4 20900 B13R1.343 CC(=O)CCCNC[C@@H]1CCOC1 c2d15487d58e03a1c4d559af1bb69782 [0,1,0,1,0,0|2,0,0]=4 20901 B13R1.343 CC(=O)CCCNC[C@H]1CCCO1 a6f9511d750edf8a1aa48d07b558267b [0,1,0,1,0,0|2,0,0]=4 20902 B13R1.343 CC(=O)CCCNC[C@H]1CCOC1 d3340d8e6eb9ec7cc53e01ccc83bd4c2 [0,1,0,1,0,0|2,0,0]=4 20903 B13R1.343 CC(=O)CCCOCC1CCCC1 9e0c089dc8a49988e939cf79a513dd73 [0,1,0,1,0,0|1,0,0]=3 20904 B13R1.343 CC(=O)CCCOCC1CCCO1 296914c374cb9e4445cd187f67e77a82 [0,1,0,1,0,0|2,0,0]=4 20905 B13R1.343 CC(=O)CCCOCC1CCCS1 7ff6626a45c193a0d281a2320f062a20 [0,1,0,1,0,0|2,0,0]=4 20906 B13R1.343 CC(=O)CCCOCC1CCOC1 92ce59577334add59e7fe9a78640a8d1 [0,1,0,1,0,0|2,0,0]=4 20907 B13R1.343 CC(=O)CCCOCN1CCCC1 a604a3576d7c8297e3dad97bdf4d11ae [0,1,0,1,0,0|2,0,0]=4 20908 B13R1.343 CC(=O)CCCOC[C@@H]1CCCO1 fdf6830852187a0cb63891d2db78bcaa [0,1,0,1,0,0|2,0,0]=4 20909 B13R1.343 CC(=O)CCCOC[C@@H]1CCOC1 caa29515035e8f724b3dcda557b37e58 [0,1,0,1,0,0|2,0,0]=4 20910 B13R1.343 CC(=O)CCCOC[C@H]1CCCO1 10e73194f669d98a0dc9fd113d6852f6 [0,1,0,1,0,0|2,0,0]=4 20911 B13R1.343 CC(=O)CCCOC[C@H]1CCOC1 24568619bd8101adbb322512b5428df3 [0,1,0,1,0,0|2,0,0]=4 20912 B13R1.343 CC(=O)CCNCCC1CCCC1 87605c2692ad09e825d6c424eabc2e11 [0,1,0,1,0,0|1,0,0]=3 20913 B13R1.343 CC(=O)CCNCCC1CCCO1 c110726b4281309044ae9e72775b3bf9 [0,1,0,1,0,0|2,0,0]=4 20914 B13R1.343 CC(=O)CCNCCC1CCOC1 229121778e34b6d30f2a7eaf937cff79 [0,1,0,1,0,0|2,0,0]=4 20915 B13R1.343 CC(=O)CCNCCN1CCCC1 c0f537b985691dec282e6aff6e0a7903 [0,1,0,1,0,0|2,0,0]=4 20916 B13R1.343 CC(=O)CCOCCC1CCCC1 6d43d6ad7ac5926e250564fa0235232d [0,1,0,1,0,0|1,0,0]=3 20917 B13R1.343 CC(=O)CCOCCC1CCCO1 1386b616ba9eeb9c2270b627ee20da7f [0,1,0,1,0,0|2,0,0]=4 20918 B13R1.343 CC(=O)CCOCCC1CCOC1 32e1c08c36e4a790266a329c9172f2e7 [0,1,0,1,0,0|2,0,0]=4 20919 B13R1.343 CC(=O)CCOCCN1CCCC1 0445335f042713a4385751ba77eb86c7 [0,1,0,1,0,0|2,0,0]=4 20920 B13R1.343 CC(=O)CNCCCC1CCCC1 197ff7bb541a6a8aba5884f0f2cc65fe [0,1,0,1,0,0|1,0,0]=3 20921 B13R1.343 CC(=O)CNCCCN1CCCC1 ee0697c306ed7ffba11ca69aeb3d1eef [0,1,0,1,0,0|2,0,0]=4 20922 B13R1.343 CC(=O)COCCCC1CCCC1 894b5f6e4b458910fa55ed057f111702 [0,1,0,1,0,0|1,0,0]=3 20923 B13R1.343 CC(=O)COCCCN1CCCC1 1e0c9d025a7363adc9ab7a6530bdd354 [0,1,0,1,0,0|2,0,0]=4 20924 B13R1.343 CC(=O)NCCCCC1CCCC1 4615f363af1d532d90633104468f35f7 [0,1,0,1,0,0|1,0,0]=3 20925 B13R1.343 CC(=O)NCCCCN1CCCC1 d3c09294ea998c388000d0692634d483 [0,1,0,1,0,0|2,0,0]=4 20926 B13R1.343 CC(=O)NCCCNC1CCCC1 b023349893117fa13c0aa902bab0d1c7 [0,1,0,1,0,0|2,0,0]=4 20927 B13R1.343 CC(=O)NCCCOC1CCCC1 d27af8ba5abbe5ca3ee8f9b1b62ebe6f [0,1,0,1,0,0|2,0,0]=4 20928 B13R1.343 CC(=O)NCCNCC1CCCC1 02e0d9c70b7e98cad2ce913ba011deb5 [0,1,0,1,0,0|2,0,0]=4 20929 B13R1.343 CC(=O)NCCOCC1CCCC1 dabaec4f512ccdb2a8db183daae2ebb6 [0,1,0,1,0,0|2,0,0]=4 20930 B13R1.343 CC(=O)NCOCCC1CCCC1 96463ad8d59a5da554c7793fe9adfac5 [0,1,0,1,0,0|2,0,0]=4 20931 B13R1.343 CC(=O)OCCCNC1CCCC1 95c11139431326608f79582a045f09f0 [0,1,0,1,0,0|2,0,0]=4 20932 B13R1.343 CC(=O)OCCCOC1CCCC1 774d79fabc55c01cb260288c109f724a [0,1,0,1,0,0|2,0,0]=4 20933 B13R1.343 CC(=O)OCCNCC1CCCC1 cfa62ed7a4e4dc0e704d45cd3b060c3b [0,1,0,1,0,0|2,0,0]=4 20934 B13R1.343 CC(=O)OCCOCC1CCCC1 22f521ada3e9485fe86e5f4c783ba75f [0,1,0,1,0,0|2,0,0]=4 20935 B13R1.343 CC(=O)OCNCCC1CCCC1 a3ee862bffb33ba5d75abf28e6b6a142 [0,1,0,1,0,0|2,0,0]=4 20936 B13R1.343 CC(=O)OCOCCC1CCCC1 cf0f11127ba2448107cd4da3f5953baa [0,1,0,1,0,0|2,0,0]=4 20937 B13R1.343 CC(=O)SCCCNC1CCCC1 50c3b75401342d8cf7e119a316147ba8 [0,1,0,1,0,0|2,0,0]=4 20938 B13R1.343 CC(=O)SCCCOC1CCCC1 7e63cae6926400c7b1ff6cf373309882 [0,1,0,1,0,0|2,0,0]=4 20939 B13R1.343 CC(=O)SCCNCC1CCCC1 f50c30537806386b46a4020a9824cb15 [0,1,0,1,0,0|2,0,0]=4 20940 B13R1.343 CC(=O)SCCOCC1CCCC1 9a419aaa43b1aa40813dfb152416f638 [0,1,0,1,0,0|2,0,0]=4 20941 B13R1.343 CC(O)CCCCNC1CCCC1 29e2b069fcbdd37d28b70af6eaf93976 [0,1,0,1,0,0|1,0,1]=4 20942 B13R1.343 CC(O)CCCNCC1CCCC1 9fea8e4a1d54e5fede0ab1d3ace3be9f [0,1,0,1,0,0|1,0,1]=4 20943 B13R1.343 CC(O)CCNCCC1CCCC1 939980fa387f75a165cf81bf8134da9c [0,1,0,1,0,0|1,0,1]=4 20944 B13R1.343 CC(O)CNCCCC1CCCC1 46fbfd1478c9195a2aa522fc8da81b59 [0,1,0,1,0,0|1,0,1]=4 20945 B13R1.343 CS(=O)CCCNCC1CCCC1 54013542e002688caa5aee6895843d2f [0,1,0,1,0,0|2,0,0]=4 20946 B13R1.343 CS(=O)CCNCCC1CCCC1 a602966cb4e94060bdaeb3f2f210ceb7 [0,1,0,1,0,0|2,0,0]=4 20947 B13R1.343 CS(=O)CCOCCC1CCCC1 bcc901b9b4771187f5900e722f254bfc [0,1,0,1,0,0|2,0,0]=4 20948 B13R1.343 C[C@@H](O)CCCCNC1CCCC1 7da12ec1b8ca0f410da1671ed6454034 [0,1,0,1,0,0|1,0,1]=4 20949 B13R1.343 C[C@@H](O)CCNCCC1CCCC1 4732b2e05e965dbc23c43954f7271c7f [0,1,0,1,0,0|1,0,1]=4 20950 B13R1.343 C[C@@H](O)CNCCCC1CCCC1 27b23b27315df7d078c422a3e77aef84 [0,1,0,1,0,0|1,0,1]=4 20951 B13R1.343 C[C@H](O)CCNCCC1CCCC1 1b6fb8ccd7b8f577517e39aff939dc04 [0,1,0,1,0,0|1,0,1]=4 20952 B13R1.343 C[C@H](O)CNCCCC1CCCC1 6f4d8fb06effe2387ffc181b7b58ae91 [0,1,0,1,0,0|1,0,1]=4 20953 B13R1.343 NC(=O)CCCCCN1CCSC1 75835adcac8e302ed98a2146d3933a20 [0,1,0,1,0,0|2,0,0]=4 20954 B13R1.343 NC(=O)CCCCNC1CCCC1 b75590c098e2d3ad7a41b9b32c98a884 [0,1,0,1,0,0|1,0,0]=3 20955 B13R1.343 NC(=O)CCCCNC1CCOC1 865512aa91e22093e5831122bbc9f226 [0,1,0,1,0,0|2,0,0]=4 20956 B13R1.343 NC(=O)CCCCNC1CCSC1 b816413e23fd6796ebd02d42de37b9b0 [0,1,0,1,0,0|2,0,0]=4 20957 B13R1.343 NC(=O)CCCCN[C@@H]1CCOC1 70e5a75e5531b96d6763d6354244db3d [0,1,0,1,0,0|2,0,0]=4 20958 B13R1.343 NC(=O)CCCCN[C@H]1CCOC1 9c4bfcbb5c09835e8bfc8720a1190791 [0,1,0,1,0,0|2,0,0]=4 20959 B13R1.343 NC(=O)CCCCOC1CCCC1 634310346f2cdb9ba9409e3fe8e60394 [0,1,0,1,0,0|1,0,0]=3 20960 B13R1.343 NC(=O)CCCCOC1CCCO1 5b85fe7265e508f1416e6dc41a0bd52b [0,1,0,1,0,0|2,0,0]=4 20961 B13R1.343 NC(=O)CCCCOC1CCOC1 18fa3f1f6056cc4ccd4bd47b6c8145fa [0,1,0,1,0,0|2,0,0]=4 20962 B13R1.343 NC(=O)CCCCOC1CCSC1 c62d31a48ef41ee3241415788c057331 [0,1,0,1,0,0|2,0,0]=4 20963 B13R1.343 NC(=O)CCCCO[C@@H]1CCOC1 bb63e88413528272c28a8701e6cb10b4 [0,1,0,1,0,0|2,0,0]=4 20964 B13R1.343 NC(=O)CCCCO[C@@H]1CCSC1 0afba36677500d8c19dd9f82e1306231 [0,1,0,1,0,0|2,0,0]=4 20965 B13R1.343 NC(=O)CCCCO[C@H]1CCOC1 5bb43177a141fa59d317b37797a83c4b [0,1,0,1,0,0|2,0,0]=4 20966 B13R1.343 NC(=O)CCCCO[C@H]1CCSC1 4fd209677653fcf7ebdedb53a9ff1ceb [0,1,0,1,0,0|2,0,0]=4 20967 B13R1.343 NC(=O)CCCNCC1CCCC1 e2979961a7a06f60728c762103330267 [0,1,0,1,0,0|1,0,0]=3 20968 B13R1.343 NC(=O)CCCNCC1CCCO1 9cda18b4772944d61960fa80ceaa8032 [0,1,0,1,0,0|2,0,0]=4 20969 B13R1.343 NC(=O)CCCNCC1CCOC1 cb3eb1d55382d6840019e29dab75c278 [0,1,0,1,0,0|2,0,0]=4 20970 B13R1.343 NC(=O)CCCNC[C@@H]1CCCO1 10790bbe4b2b6b18ec4f90908fc26703 [0,1,0,1,0,0|2,0,0]=4 20971 B13R1.343 NC(=O)CCCNC[C@@H]1CCOC1 270dce74e4a929070375cae656178377 [0,1,0,1,0,0|2,0,0]=4 20972 B13R1.343 NC(=O)CCCNC[C@H]1CCCO1 79a0e8cda895c67258d58827d225cf08 [0,1,0,1,0,0|2,0,0]=4 20973 B13R1.343 NC(=O)CCCNC[C@H]1CCOC1 4813a573e5cbb23d0ca472c301536e52 [0,1,0,1,0,0|2,0,0]=4 20974 B13R1.343 NC(=O)CCCOCC1CCCC1 f8a45b54f2c89c1a3d6fcd8c40607f92 [0,1,0,1,0,0|1,0,0]=3 20975 B13R1.343 NC(=O)CCCOCC1CCCO1 1fe7856c407610d21cd07e19a3cff0c1 [0,1,0,1,0,0|2,0,0]=4 20976 B13R1.343 NC(=O)CCCOCC1CCCS1 15a5533b0704994bb1ae717233a8620d [0,1,0,1,0,0|2,0,0]=4 20977 B13R1.343 NC(=O)CCCOCC1CCOC1 cfa712b2439de2eac92fd0c9894ca89e [0,1,0,1,0,0|2,0,0]=4 20978 B13R1.343 NC(=O)CCCOCN1CCCC1 9a866c41c2dc4912444290de9f9b5c64 [0,1,0,1,0,0|2,0,0]=4 20979 B13R1.343 NC(=O)CCCOC[C@@H]1CCCO1 40b5c21ea7143ebbb07e15daa82d5ae3 [0,1,0,1,0,0|2,0,0]=4 20980 B13R1.343 NC(=O)CCCOC[C@@H]1CCOC1 b21d446974b589b192b8f2d3d18ae035 [0,1,0,1,0,0|2,0,0]=4 20981 B13R1.343 NC(=O)CCCOC[C@H]1CCCO1 c53385fe30e24b146452b8d177d374d9 [0,1,0,1,0,0|2,0,0]=4 20982 B13R1.343 NC(=O)CCCOC[C@H]1CCOC1 d80ec1eea3a494e8c41fab9227e7248c [0,1,0,1,0,0|2,0,0]=4 20983 B13R1.343 NC(=O)CCNCCC1CCCC1 533b8d827bee5d12519ce78e4b6645b3 [0,1,0,1,0,0|1,0,0]=3 20984 B13R1.343 NC(=O)CCNCCC1CCCO1 919f69141f50ae10d16817ddae667f16 [0,1,0,1,0,0|2,0,0]=4 20985 B13R1.343 NC(=O)CCNCCC1CCOC1 a07974356d00bf1916a329734f45818e [0,1,0,1,0,0|2,0,0]=4 20986 B13R1.343 NC(=O)CCNCCN1CCCC1 a3c321dddc804e09ee44db9b71b93aba [0,1,0,1,0,0|2,0,0]=4 20987 B13R1.343 NC(=O)CCOCCC1CCCC1 e8b155e7f766f68180cbfd7f6afa746e [0,1,0,1,0,0|1,0,0]=3 20988 B13R1.343 NC(=O)CCOCCC1CCCO1 7a28b034ff9516dd6b022b61657a4f92 [0,1,0,1,0,0|2,0,0]=4 20989 B13R1.343 NC(=O)CCOCCC1CCOC1 a9346a347f611e8a8cdddc0709ded98f [0,1,0,1,0,0|2,0,0]=4 20990 B13R1.343 NC(=O)CCOCCN1CCCC1 b8553f903e214a773d3e4d1a9e4c75d2 [0,1,0,1,0,0|2,0,0]=4 20991 B13R1.343 NC(=O)CNCCCC1CCCC1 f32e2b74c1e736b75bf34f3f3c3bd472 [0,1,0,1,0,0|1,0,0]=3 20992 B13R1.343 NC(=O)CNCCCC1CCOC1 2354ca6d9b6e8eac0ff445b58bacb1d2 [0,1,0,1,0,0|2,0,0]=4 20993 B13R1.343 NC(=O)CNCCCN1CCCC1 04c67d965662f9bda9abb584f974e07d [0,1,0,1,0,0|2,0,0]=4 20994 B13R1.343 NC(=O)CNCCOC1CCCC1 930b1b7bb5e1d3532c745cf7e1fa7686 [0,1,0,1,0,0|2,0,0]=4 20995 B13R1.343 NC(=O)CNCCSC1CCCC1 99f855236bf9eb939b2db7f232615546 [0,1,0,1,0,0|2,0,0]=4 20996 B13R1.343 NC(=O)COCCCC1CCCC1 e43fb2177564c6ca5ac652a648c0684c [0,1,0,1,0,0|1,0,0]=3 20997 B13R1.343 NC(=O)COCCCN1CCCC1 e124176077716e9abd884a595d263bcd [0,1,0,1,0,0|2,0,0]=4 20998 B13R1.343 NC(=O)COCCNC1CCCC1 533b23856fa04b759b6a093f9708ca38 [0,1,0,1,0,0|2,0,0]=4 20999 B13R1.343 NC(=O)COCCOC1CCCC1 74a30534d01ed02dc7d1ac432f16093f [0,1,0,1,0,0|2,0,0]=4 21000 B13R1.343 NC(=O)CSCCOC1CCCC1 0d0a01f64e3d58e6fb445d65cfe96c86 [0,1,0,1,0,0|2,0,0]=4 21001 B13R1.343 NC(=O)NCCNCC1CCCC1 1305cd5ed530e8a4b567c05cefa66337 [0,1,0,1,0,0|2,0,0]=4 21002 B13R1.343 NC(=O)NCCOCC1CCCC1 d51ff261a0d0e88f1524f7c1c76955c6 [0,1,0,1,0,0|2,0,0]=4 21003 B13R1.343 NC(=O)NCOCCC1CCCC1 6ead82450462347d337dc6d4c8c1671d [0,1,0,1,0,0|2,0,0]=4 21004 B13R1.343 NC(=O)SCNCCC1CCCC1 a027434f39cd5d2484fdf24fe1298ceb [0,1,0,1,0,0|2,0,0]=4 21005 B13R1.343 NC(=O)SCOCCC1CCCC1 3162bfdb9f2491dbacf51a5b2488dec0 [0,1,0,1,0,0|2,0,0]=4 21006 B13R1.343 NC(=S)CCNCCC1CCCC1 f6b6649c7c1dd650a722ca78ad94d728 [0,1,0,1,0,0|1,1,0]=4 21007 B13R1.343 NC(=S)COCCCC1CCCC1 8bf8f0f1bfcf54298cb2088c0cbfdc6e [0,1,0,1,0,0|1,1,0]=4 21008 B13R1.343 O=C(O)/C=C/CNCC1CCCC1 f37cf10455820c8d72fa9db073036149 [0,1,0,1,0,0|0,0,2]=4 21009 B13R1.343 O=C(O)/C=C/COCC1CCCC1 eee790dcd5c66b4a168f1e51b4de1f06 [0,1,0,1,0,0|0,0,2]=4 21010 B13R1.343 O=C(O)C#CCCOC1CCCC1 c6d02991e802c7e2f7a0718be04b62ee [0,1,0,1,0,0|0,0,2]=4 21011 B13R1.343 O=C(O)C#CCNCC1CCCC1 6f644ce9a5a97d239d4012b810fd0cd7 [0,1,0,1,0,0|0,0,2]=4 21012 B13R1.343 O=C(O)C#CCOCC1CCCC1 9a5c8cd57ee05e068e506ae5c0b8cae3 [0,1,0,1,0,0|0,0,2]=4 21013 B13R1.343 O=C(O)C=CCNCC1CCCC1 5cf263a25b0ffeb4da45c6cc4b823d5c [0,1,0,1,0,0|0,0,2]=4 21014 B13R1.343 O=C(O)C=CCOCC1CCCC1 4e80353359829d2c639d4403e99ac3a6 [0,1,0,1,0,0|0,0,2]=4 21015 B13R1.343 O=C(O)CCCCCN1CC=CC1 c245190f0bdd15ccb3a1c3d89da01065 [0,1,0,1,0,0|0,0,2]=4 21016 B13R1.343 O=C(O)CCCCCN1CCSC1 d388a3eef08e6d9c4e1b23db10b71266 [0,1,0,1,0,0|1,0,0]=3 21017 B13R1.343 O=C(O)CCCCNC1CC=CC1 6c741055d058a25c3af68ea35ccd5228 [0,1,0,1,0,0|0,0,2]=4 21018 B13R1.343 O=C(O)CCCCNC1CCCC1 735469e0242df960af5be4dfc3a741a9 [0,1,0,1,0,0|0,0,0]=2 21019 B13R1.343 O=C(O)CCCCNC1CCOC1 37c45eb3ce23263a7d0111878694c104 [0,1,0,1,0,0|1,0,0]=3 21020 B13R1.343 O=C(O)CCCCNC1CCSC1 e06a24275ab45c3cd1e9e9f5776daac7 [0,1,0,1,0,0|1,0,0]=3 21021 B13R1.343 O=C(O)CCCCN[C@@H]1CCOC1 b880ff1db614eceffd4473d04eef5e3c [0,1,0,1,0,0|1,0,0]=3 21022 B13R1.343 O=C(O)CCCCN[C@H]1CCOC1 dcd6b52cc4c7b60dcf96d2d99f4f133a [0,1,0,1,0,0|1,0,0]=3 21023 B13R1.343 O=C(O)CCCCOC1C=CCC1 6c8a9738e0043fdbc5a92225d6bbc613 [0,1,0,1,0,0|0,0,2]=4 21024 B13R1.343 O=C(O)CCCCOC1CC=CC1 acdbde9f5c2f09e667c77077367b6e52 [0,1,0,1,0,0|0,0,2]=4 21025 B13R1.343 O=C(O)CCCCOC1CCCC1 1b330a71d363df41265fa673af9c1dd6 [0,1,0,1,0,0|0,0,0]=2 21026 B13R1.343 O=C(O)CCCNCC1CC=CC1 f5ae77be84e7d4e73dc567a30463636d [0,1,0,1,0,0|0,0,2]=4 21027 B13R1.343 O=C(O)CCCNCC1CCCC1 ada08880c6e87950d27981a3d654282a [0,1,0,1,0,0|0,0,0]=2 21028 B13R1.343 O=C(O)CCCNCC1CCCO1 e6e551e720cf46a90b98e74885c329e6 [0,1,0,1,0,0|1,0,0]=3 21029 B13R1.343 O=C(O)CCCNCC1CCOC1 513335342622d143e731f934fe350f02 [0,1,0,1,0,0|1,0,0]=3 21030 B13R1.343 O=C(O)CCCNC[C@@H]1CCCO1 85b83bcbc7cb84d48d83148fe1f25498 [0,1,0,1,0,0|1,0,0]=3 21031 B13R1.343 O=C(O)CCCNC[C@@H]1CCOC1 a45f93c9a76611559127742fbeb6b5b6 [0,1,0,1,0,0|1,0,0]=3 21032 B13R1.343 O=C(O)CCCNC[C@H]1CCCO1 44486b9b58eec7ccd9aeff50cc11b2fc [0,1,0,1,0,0|1,0,0]=3 21033 B13R1.343 O=C(O)CCCNC[C@H]1CCOC1 909a2fe704794b01fdad235e862758cd [0,1,0,1,0,0|1,0,0]=3 21034 B13R1.343 O=C(O)CCCOCC1C=CCC1 482bc6eec1507d84715c029be1ea5d76 [0,1,0,1,0,0|0,0,2]=4 21035 B13R1.343 O=C(O)CCCOCC1CC=CC1 5846d96cf57abf0b59062abfdf1a0389 [0,1,0,1,0,0|0,0,2]=4 21036 B13R1.343 O=C(O)CCCOCC1CCCC1 389779b85e65edeac6411413c4e1dca2 [0,1,0,1,0,0|0,0,0]=2 21037 B13R1.343 O=C(O)CCCOCC1CCOC1 30391690e06c2d3a1ab9f92fd1c6d669 [0,1,0,1,0,0|1,0,0]=3 21038 B13R1.343 O=C(O)CCCOCN1CCCC1 1911829f5e14656fdb60e29161a5373d [0,1,0,1,0,0|1,0,0]=3 21039 B13R1.343 O=C(O)CCCOC[C@@H]1CCOC1 3fc5b7e3e5c0b2cd0f1c751cc105c892 [0,1,0,1,0,0|1,0,0]=3 21040 B13R1.343 O=C(O)CCCOC[C@H]1CCOC1 f4783c69ba0ba126611d99b01430cd7c [0,1,0,1,0,0|1,0,0]=3 21041 B13R1.343 O=C(O)CCNCCC1CCCC1 b0f35ead0a958a777deb6d6737eedc10 [0,1,0,1,0,0|0,0,0]=2 21042 B13R1.343 O=C(O)CCNCCC1CCCO1 dc61e55d1bef64c8f1ee643440c047a5 [0,1,0,1,0,0|1,0,0]=3 21043 B13R1.343 O=C(O)CCNCCC1CCOC1 a3d188e657857271e039f629704a0e7e [0,1,0,1,0,0|1,0,0]=3 21044 B13R1.343 O=C(O)CCNCCN1CCCC1 80af51e47e5925ac3bc67679dd391961 [0,1,0,1,0,0|1,0,0]=3 21045 B13R1.343 O=C(O)CCOCC=C1CCCC1 c0c66e4b1b567f435236c38525da5af2 [0,1,0,1,0,0|0,0,2]=4 21046 B13R1.343 O=C(O)CCOCCC1CCCC1 5cd1f12c4f5011b29ae61261df59757e [0,1,0,1,0,0|0,0,0]=2 21047 B13R1.343 O=C(O)CCOCCC1CCCO1 d5b2e1b04dcec9039f08f62b78258d52 [0,1,0,1,0,0|1,0,0]=3 21048 B13R1.343 O=C(O)CCOCCC1CCOC1 ac650b5fbb74745f5ddedd44ab7535bd [0,1,0,1,0,0|1,0,0]=3 21049 B13R1.343 O=C(O)CCOCCN1CCCC1 c0cb98cb0412ee2cc21989611b69436d [0,1,0,1,0,0|1,0,0]=3 21050 B13R1.343 O=C(O)CCOCCN1CCOC1 01cf61df2c9493540a5631f39d2dfac2 [0,1,0,1,0,0|2,0,0]=4 21051 B13R1.343 O=C(O)CCOCCN1CCSC1 563e21b08d3ca2c8d28463547ba87d6a [0,1,0,1,0,0|2,0,0]=4 21052 B13R1.343 O=C(O)CNCCCC1CCCC1 d05960260f3a30c09ba8835387922d86 [0,1,0,1,0,0|0,0,0]=2 21053 B13R1.343 O=C(O)CNCCCC1CCOC1 9d3d25120607d6cf2e4eb287138ca028 [0,1,0,1,0,0|1,0,0]=3 21054 B13R1.343 O=C(O)CNCCCN1CCCC1 6f11e968eb732166ce3a286a33f76abd [0,1,0,1,0,0|1,0,0]=3 21055 B13R1.343 O=C(O)CNCCOC1CCCC1 ee61e3da4783cc1becbe1c26744becfa [0,1,0,1,0,0|1,0,0]=3 21056 B13R1.343 O=C(O)CNCCOC1CCOC1 80786ffb1af4a18f01f016587ed951af [0,1,0,1,0,0|2,0,0]=4 21057 B13R1.343 O=C(O)CNCCSC1CCCC1 7ae8a3553c47aa1e3f5f3dda639f46d3 [0,1,0,1,0,0|1,0,0]=3 21058 B13R1.343 O=C(O)COCCCC1CCCC1 80be45ce70b57c2dcfe5873dba5fb429 [0,1,0,1,0,0|0,0,0]=2 21059 B13R1.343 O=C(O)COCCCN1CCCC1 53c0ca4b66ec48e49b5894988ca77022 [0,1,0,1,0,0|1,0,0]=3 21060 B13R1.343 O=C(O)COCCCN1CCSC1 dc4d9123c0d01954cd533f1610e51f43 [0,1,0,1,0,0|2,0,0]=4 21061 B13R1.343 O=C(O)COCCNC1CCOC1 c1b4278b0ddddda718b7f0145adbe977 [0,1,0,1,0,0|2,0,0]=4 21062 B13R1.343 O=C(O)COCCN[C@@H]1CCOC1 3e669241a52b3fc96923a66d813babf2 [0,1,0,1,0,0|2,0,0]=4 21063 B13R1.343 O=C(O)COCCN[C@H]1CCOC1 4ce8f464af07e68fa0299112bff7ccbe [0,1,0,1,0,0|2,0,0]=4 21064 B13R1.343 O=C(O)COCCOC1CCCC1 e48fa8310932292ba2450f600e98d4a7 [0,1,0,1,0,0|1,0,0]=3 21065 B13R1.343 O=C(O)COCCOC1CCCO1 fe4f767b5595a9797f29af123b4e70ae [0,1,0,1,0,0|2,0,0]=4 21066 B13R1.343 O=C(O)COCCOC1CCOC1 ae1747867d1aa67fa458ec75f1b37340 [0,1,0,1,0,0|2,0,0]=4 21067 B13R1.343 O=C(O)COCCOC1CCSC1 4ad1b99e8c2dc0c08eb7ec24200a9941 [0,1,0,1,0,0|2,0,0]=4 21068 B13R1.343 O=C(O)COCCO[C@@H]1CCOC1 5d07df66c684b7e99b33bdd4c5be9be5 [0,1,0,1,0,0|2,0,0]=4 21069 B13R1.343 O=C(O)COCCO[C@@H]1CCSC1 f54dc47a72ba2902c8adb049f0bf085d [0,1,0,1,0,0|2,0,0]=4 21070 B13R1.343 O=C(O)COCCO[C@H]1CCOC1 f7d83c7bc1a4147203bc962bbf217f00 [0,1,0,1,0,0|2,0,0]=4 21071 B13R1.343 O=C(O)COCCO[C@H]1CCSC1 2c0ab8ab6d2a5f2542e9021032cc0e35 [0,1,0,1,0,0|2,0,0]=4 21072 B13R1.343 O=S(O)CCNCCC1CCCC1 1ebf777a0571c46c336d40b5d7ffc223 [0,1,0,1,0,0|1,0,0]=3 21073 B13R1.343 O=S(O)CCNCCC1CCCO1 5e99abe6607837050c7eef08c98a04b6 [0,1,0,1,0,0|2,0,0]=4 21074 B13R1.343 O=S(O)CCNCCC1CCOC1 1b468c486ac3d0cb94e8977014e38d67 [0,1,0,1,0,0|2,0,0]=4 21075 B13R1.343 O=S(O)CCNCCN1CCCC1 b7c689fa438b303c69e99d9ae53f880b [0,1,0,1,0,0|2,0,0]=4 21076 B13R1.343 O=S(O)COCCCC1CCCC1 8f9548038fd604534856a8e829305b1a [0,1,0,1,0,0|1,0,0]=3 21077 B13R1.343 O=S(O)COCCCN1CCCC1 8f227d2d4ffacaf560e92aa6cf6c02df [0,1,0,1,0,0|2,0,0]=4 21078 B13R1.343 O=[N+]([O-])CCCCOC1CCCC1 2d2e67924628dca3928c4f4292c425c6 [0,1,0,1,0,0|1,0,1]=4 21079 B13R1.343 O=[N+]([O-])CCCNCC1CCCC1 0253266f9d533510fa40c7bc35216b0a [0,1,0,1,0,0|1,0,1]=4 21080 B13R1.343 O=[N+]([O-])CCCOCC1CCCC1 5cfa0e8c6a3022d9922e25f3ca98d33e [0,1,0,1,0,0|1,0,1]=4 21081 B13R1.343 O=[N+]([O-])CCOCCC1CCCC1 c72778ec5ceabc1edeb11764d2a8b197 [0,1,0,1,0,0|1,0,1]=4 21082 B13R1.343 O=[N+]([O-])CNCCCC1CCCC1 7bed234ca89bf55b1ff74e325d0b7864 [0,1,0,1,0,0|1,0,1]=4 21083 B13R1.343 O=[N+]([O-])COCCCC1CCCC1 5f852ad1d94e8b98c523dff395725e98 [0,1,0,1,0,0|1,0,1]=4 21084 B13R1.362 C#CCCCCNCC1CC(=O)O1 6c91ff3f9c6705ec0f78489376c9729e [0,1,0,1,0,0|0,0,2]=4 21085 B13R1.362 C#CCCCCOCC1CC(=O)O1 f9251f63a13817922b6aa7230bc11fa6 [0,1,0,1,0,0|0,0,2]=4 21086 B13R1.362 C/C=C/CCCOCC1CC(=O)O1 9b7e8ab169850e3772127e9b1cc9311c [0,1,0,1,0,0|0,0,2]=4 21087 B13R1.362 C/C=C\CCCOCC1CC(=O)O1 385c5d2ffaff7daae9a92f402fd4d17e [0,1,0,1,0,0|0,0,2]=4 21088 B13R1.362 C=C1CC(C1)CNCCCCCC 27b55b8f66d0409c9f7a380d4fd96518 [0,1,0,1,0,0|2,0,0]=4 21089 B13R1.362 C=C1CC(C1)COCCCCCC 2cb798cae68f07743294304aa2d24367 [0,1,0,1,0,0|2,0,0]=4 21090 B13R1.362 C=CCCCCNCC1CC(=O)O1 31d2781095867703b62099e15af365b3 [0,1,0,1,0,0|0,0,2]=4 21091 B13R1.362 C=CCCCCOCC1CC(=O)O1 66d8cbfcdc517e863a20b112704f094a [0,1,0,1,0,0|0,0,2]=4 21092 B13R1.362 CC#CCCCOCC1CC(=O)O1 c9ee07b695e491b67b2dea16272dd8b7 [0,1,0,1,0,0|0,0,2]=4 21093 B13R1.362 CC/C=C/CCOCC1CC(=O)O1 683684a95b875f6a3eecb99851bd5ac7 [0,1,0,1,0,0|0,0,2]=4 21094 B13R1.362 CC/C=C\CCOCC1CC(=O)O1 2911ebd29a5f8cf551a50588cd3baeb6 [0,1,0,1,0,0|0,0,2]=4 21095 B13R1.362 CC=CCCCOCC1CC(=O)O1 a8f4ba77c90d286d6ef0295f697adc22 [0,1,0,1,0,0|0,0,2]=4 21096 B13R1.362 CCC#CCCOCC1CC(=O)O1 ada7c4c4c1703d58ef26bc49909c7efd [0,1,0,1,0,0|0,0,2]=4 21097 B13R1.362 CCC/C=C/COCC1CC(=O)O1 805f07241fb47e3e4118e1a4eafff7bc [0,1,0,1,0,0|0,0,2]=4 21098 B13R1.362 CCC/C=C\COCC1CC(=O)O1 ce9fd4e90f6152e98888f6cd66c466ad [0,1,0,1,0,0|0,0,2]=4 21099 B13R1.362 CCCC#CCOCC1CC(=O)O1 503dfe31084c9cb727163a678564e2fd [0,1,0,1,0,0|0,0,2]=4 21100 B13R1.362 CCCCCCCCN1CC(C1)O 299d311f3f092e82d77f84f108bc2aad [0,1,0,1,0,0|1,0,1]=4 21101 B13R1.362 CCCCCCCNC1CC(=O)C1 badf837d614ad7aa53a9c14566c69393 [0,1,0,1,0,0|1,0,0]=3 21102 B13R1.362 CCCCCCCNC1CC(C1)O 4187dc4603f81c3db53c0443f652cefc [0,1,0,1,0,0|1,0,1]=4 21103 B13R1.362 CCCCCCCN[C@H]1C[C@@H](C1)O 9eceb308792a0fecb6ba057cd0915f3b [0,1,0,1,0,0|1,0,1]=4 21104 B13R1.362 CCCCCCCN[C@H]1C[C@H](C1)O 30c651cba061fc49bdbc0e4bb0f71c02 [0,1,0,1,0,0|1,0,1]=4 21105 B13R1.362 CCCCCCCOC1CC(=O)C1 e7d2adb4ec638035c896f942943293c3 [0,1,0,1,0,0|1,0,0]=3 21106 B13R1.362 CCCCCCNCC1CC(=O)C1 806cedabb061ac1712dc0d2cbc26f816 [0,1,0,1,0,0|1,0,0]=3 21107 B13R1.362 CCCCCCNCC1CC(=O)N1 667926bcc3b068b00b38d25459822d9d [0,1,0,1,0,0|1,0,0]=3 21108 B13R1.362 CCCCCCNCC1CC(=O)O1 510e1e89603d1aea7a4403c60683e259 [0,1,0,1,0,0|0,0,0]=2 21109 B13R1.362 CCCCCCNCC1CC(C1)O 66a6322c69bffca91ca638dd9d79148e [0,1,0,1,0,0|1,0,1]=4 21110 B13R1.362 CCCCCCNC[C@H]1C[C@@H](C1)O 39ee9c456ee87fdb329c4850033393c1 [0,1,0,1,0,0|1,0,1]=4 21111 B13R1.362 CCCCCCNC[C@H]1C[C@H](C1)O b973b2df692d97d4ea67384ae3c508e7 [0,1,0,1,0,0|1,0,1]=4 21112 B13R1.362 CCCCCCOCC1CC(=O)C1 457ac90e2e070097c1fde8e16216df3d [0,1,0,1,0,0|1,0,0]=3 21113 B13R1.362 CCCCCCOCC1CC(=O)N1 fb8c061bfdd9ce83fdafc563fd12d230 [0,1,0,1,0,0|1,0,0]=3 21114 B13R1.362 CCCCCCOCC1CC(=O)O1 3b0794138c390a4fb98b9451ce4ba1f6 [0,1,0,1,0,0|0,0,0]=2 21115 B13R1.362 CCCCCCOC[C@@H]1CC(=O)N1 20ba6b81b03ca2dd66037be96cd7609a [0,1,0,1,0,0|1,0,0]=3 21116 B13R1.362 CCCCCCOC[C@H]1CC(=O)N1 05ab4725a6a2a6b2d8a7ce2dab6c93ac [0,1,0,1,0,0|1,0,0]=3 21117 B13R1.362 CCCCOCCOC1CC(=O)C1 0614409cb4dd7bf2555faa88fbfd74be [0,1,0,1,0,0|2,0,0]=4 21118 B13R1.362 CCCCOCOCC1CC(=O)C1 c29635ebf7650aff27a3733dd9e63163 [0,1,0,1,0,0|2,0,0]=4 21119 B13R1.362 CCCCOCOCC1CC(=O)N1 33a683db46c06620156662c7d5bee07f [0,1,0,1,0,0|2,0,0]=4 21120 B13R1.362 CCCCOCOC[C@@H]1CC(=O)N1 c7dc8ea3bbf7dda55dce6526fa40d2c9 [0,1,0,1,0,0|2,0,0]=4 21121 B13R1.362 CCCCOCOC[C@H]1CC(=O)N1 41eac1aae49af5e9ac9d3cebac54dae3 [0,1,0,1,0,0|2,0,0]=4 21122 B13R1.362 CCCOCCCNC1CC(=O)C1 f22d63ee4b95afbf64dd73676c7a96af [0,1,0,1,0,0|2,0,0]=4 21123 B13R1.362 CCCOCCCOC1CC(=O)C1 3d09b8a6e29d9e8b3286045b1c88b05a [0,1,0,1,0,0|2,0,0]=4 21124 B13R1.362 CCCOCCNCC1CC(=O)C1 4540ae4ff54dc276f8fb5e03a4700c6e [0,1,0,1,0,0|2,0,0]=4 21125 B13R1.362 CCCOCCNCC1CC(=O)N1 a580b4b789e0ca49a01f1017d85f4043 [0,1,0,1,0,0|2,0,0]=4 21126 B13R1.362 CCCOCCNCC1CC(=O)O1 6b806c706dac1b61228f6ad468414bc1 [0,1,0,1,0,0|1,0,0]=3 21127 B13R1.362 CCCOCCOCC1CC(=O)C1 1012676bed7aa2dd0b7dd2d35630b0a9 [0,1,0,1,0,0|2,0,0]=4 21128 B13R1.362 CCCOCCOCC1CC(=O)N1 dd46364090de37ee2817fcb4cad4f0a7 [0,1,0,1,0,0|2,0,0]=4 21129 B13R1.362 CCCOCCOCC1CC(=O)O1 1fd114d1ac3cb43b2956866d4c285ea4 [0,1,0,1,0,0|1,0,0]=3 21130 B13R1.362 CCCOCCOC[C@@H]1CC(=O)N1 5d67e666fe20481a1daef8116da53bf4 [0,1,0,1,0,0|2,0,0]=4 21131 B13R1.362 CCCOCCOC[C@H]1CC(=O)N1 886d12b4e8b3f0d503e932a816f3ba18 [0,1,0,1,0,0|2,0,0]=4 21132 B13R1.362 CCCSCCOCC1CC(=O)C1 1e1485afdc64506683879776575fb843 [0,1,0,1,0,0|2,0,0]=4 21133 B13R1.362 CCCSCCOCC1CC(=O)N1 447daab59228f27db1f453b8a5a4d8a6 [0,1,0,1,0,0|2,0,0]=4 21134 B13R1.362 CCCSCCOCC1CC(=O)O1 c712eda83f86d96187633230501982bc [0,1,0,1,0,0|1,0,0]=3 21135 B13R1.362 CCOCCCNCC1CC(=O)C1 11c28e52d25f9b17494e982039a45d97 [0,1,0,1,0,0|2,0,0]=4 21136 B13R1.362 CCOCCCNCC1CC(=O)N1 aadb387923e35a88abd0048df53bf209 [0,1,0,1,0,0|2,0,0]=4 21137 B13R1.362 CCOCCCNCC1CC(=O)O1 78460366ae737f72f57ca25329d866bb [0,1,0,1,0,0|1,0,0]=3 21138 B13R1.362 CCOCCCOCC1CC(=O)C1 ae88ba73203f136e5cf909ca5d1052a3 [0,1,0,1,0,0|2,0,0]=4 21139 B13R1.362 CCOCCCOCC1CC(=O)N1 58e0605104415b7536c8dcc5ba68f587 [0,1,0,1,0,0|2,0,0]=4 21140 B13R1.362 CCOCCCOCC1CC(=O)O1 6367efac1bc4705737761d32dc7057f0 [0,1,0,1,0,0|1,0,0]=3 21141 B13R1.362 CCOCCCOC[C@@H]1CC(=O)N1 350282e653d20b1a35b936a695f905da [0,1,0,1,0,0|2,0,0]=4 21142 B13R1.362 CCOCCCOC[C@H]1CC(=O)N1 0bad967e7ce2145f4f0929ac2a1379c2 [0,1,0,1,0,0|2,0,0]=4 21143 B13R1.362 CCSCCCOCC1CC(=O)C1 8a8e218a33657a7c64821fcb6b1fbdce [0,1,0,1,0,0|2,0,0]=4 21144 B13R1.362 CCSCCCOCC1CC(=O)N1 f65a58e416d2df9ef637b5d5b9714e68 [0,1,0,1,0,0|2,0,0]=4 21145 B13R1.362 CCSCCCOCC1CC(=O)O1 17ddae11086ed12201328cf74c957aae [0,1,0,1,0,0|1,0,0]=3 21146 B13R1.362 CCSCCCOC[C@@H]1CC(=O)N1 96735f0f855007ec42e88b2bc16a3a52 [0,1,0,1,0,0|2,0,0]=4 21147 B13R1.362 CCSCCCOC[C@H]1CC(=O)N1 eb33b56c36685673c8b8c9793ce6542d [0,1,0,1,0,0|2,0,0]=4 21148 B13R1.362 COCCCCCOC1CC(=O)C1 e8d1d6bacee12e03190f6dc43c284a1c [0,1,0,1,0,0|2,0,0]=4 21149 B13R1.362 COCCCCNCC1CC(=O)C1 85af627e259ea8a235dbd38710b8dc7d [0,1,0,1,0,0|2,0,0]=4 21150 B13R1.362 COCCCCNCC1CC(=O)N1 73e256152a9d8eee41e4500e8dc58ce9 [0,1,0,1,0,0|2,0,0]=4 21151 B13R1.362 COCCCCNCC1CC(=O)O1 c8525b2e681405fd245c3b8aa855d0a8 [0,1,0,1,0,0|1,0,0]=3 21152 B13R1.362 COCCCCOCC1CC(=O)C1 24845eb8d7d15deaa8516e183569e591 [0,1,0,1,0,0|2,0,0]=4 21153 B13R1.362 COCCCCOCC1CC(=O)N1 9f70c99726b3fabc3822c38637f2c164 [0,1,0,1,0,0|2,0,0]=4 21154 B13R1.362 COCCCCOCC1CC(=O)O1 505f4f7a22ac3f355852ca8cd7c6087d [0,1,0,1,0,0|1,0,0]=3 21155 B13R1.362 COCCCCOC[C@@H]1CC(=O)N1 086b79e87b4ffe7f5cb266224fd7a5a7 [0,1,0,1,0,0|2,0,0]=4 21156 B13R1.362 COCCCCOC[C@H]1CC(=O)N1 16697b91f09e95ab36022a6c92dff3d2 [0,1,0,1,0,0|2,0,0]=4 21157 B13R1.362 CSCCCCNCC1CC(=O)C1 d2f79248b1ba23507cb5730d9c2f90bf [0,1,0,1,0,0|2,0,0]=4 21158 B13R1.362 CSCCCCNCC1CC(=O)N1 7332152782fbb93bd18ce8dca8c8e2d8 [0,1,0,1,0,0|2,0,0]=4 21159 B13R1.362 CSCCCCNCC1CC(=O)O1 27f32320c57d9b72e6b390ee641bd046 [0,1,0,1,0,0|1,0,0]=3 21160 B13R1.362 CSCCCCOCC1CC(=O)C1 b47c1ccaecb4927aa0f03ee0a2d6c218 [0,1,0,1,0,0|2,0,0]=4 21161 B13R1.362 CSCCCCOCC1CC(=O)N1 78a7560b574923e1849c7f81a0aaa4cd [0,1,0,1,0,0|2,0,0]=4 21162 B13R1.362 CSCCCCOCC1CC(=O)O1 92095a22176d876e0ffd71ecb8c5a34c [0,1,0,1,0,0|1,0,0]=3 21163 B13R1.362 N#CCCCCNCC1CC(=O)O1 384e4348b8068ffd731e131ce3847c79 [0,1,0,1,0,0|1,0,1]=4 21164 B13R1.362 N#CCCCCOCC1CC(=O)O1 32772d54ccde36c4ea4393e09b74365f [0,1,0,1,0,0|1,0,1]=4 21165 B13R1.362 O=C1CC(C1)CNCCCCCCl 185541832971b6c6672241fe28c86cf2 [0,1,0,1,0,0|2,0,0]=4 21166 B13R1.362 O=C1CC(C1)CNCCCCCO ec97584ce0f6a040ed4adb6454f58791 [0,1,0,1,0,0|2,0,0]=4 21167 B13R1.362 O=C1CC(C1)COCCCCCF 02f3a17471f97d7212847a4627358012 [0,1,0,1,0,0|2,0,0]=4 21168 B13R1.362 O=C1CC(C1)NCCCCCCO aff4cabb660abe4419b87a21835b5a75 [0,1,0,1,0,0|2,0,0]=4 21169 B13R1.362 O=C1CC(C1)OCCCCCCF b42c7b4d05af7cdaea51609ac5bc4322 [0,1,0,1,0,0|2,0,0]=4 21170 B13R1.362 O=C1CC(N1)CNCCCCCCl dd5e083feaab4499eb387faee6789792 [0,1,0,1,0,0|2,0,0]=4 21171 B13R1.362 O=C1CC(N1)CNCCCCCO 0148d3a7453daa18d846aa6d758e3e7b [0,1,0,1,0,0|2,0,0]=4 21172 B13R1.362 O=C1CC(N1)COCCCCCF 8dadc16d07c9e7188ecf2f457fb8bd2e [0,1,0,1,0,0|2,0,0]=4 21173 B13R1.362 O=C1CC(O1)CNCCCCCCl 2b6ef48987976746a3e79f475343b56b [0,1,0,1,0,0|1,0,0]=3 21174 B13R1.362 O=C1CC(O1)CNCCCCCO 736eefd688ad3b74a912900cdf160dfb [0,1,0,1,0,0|1,0,0]=3 21175 B13R1.362 O=C1CC(O1)CNCCOCCO c9153d7d031c4b6f2fae3139ff6cfba2 [0,1,0,1,0,0|2,0,0]=4 21176 B13R1.362 O=C1CC(O1)CNCCOCCS 792fc76a9e957f1d3a24ef75bbdc1831 [0,1,0,1,0,0|2,0,0]=4 21177 B13R1.362 O=C1CC(O1)CNCCSCCO 70c8ebf0fb5cf3f5a982108241bbf9aa [0,1,0,1,0,0|2,0,0]=4 21178 B13R1.362 O=C1CC(O1)COCCOCCF 6a375d55dc01caf6fb4414b6226ea452 [0,1,0,1,0,0|2,0,0]=4 21179 B13R1.362 O=C1CC(O1)COCCOCCS a2b775ae5e8801a30b406f5935ecc78e [0,1,0,1,0,0|2,0,0]=4 21180 B13R1.362 O=C1C[C@@H](N1)COCCCCCF cfec053cc532d8dad61e85770ee1c4a6 [0,1,0,1,0,0|2,0,0]=4 21181 B13R1.362 O=C1C[C@H](N1)COCCCCCF bef72b2105a8d448eef84019a8892ae4 [0,1,0,1,0,0|2,0,0]=4 21182 B13R1.362 O=CCCCCOCC1CC(=O)O1 cc27d02eaae701f5d688224ce7698e80 [0,1,0,1,0,0|1,0,1]=4 21183 B13R1.380 C#CCN1CCCCC1CC(=O)O f2e0cde7352a31aede8148fc8162f90a [0,1,0,1,0,0|0,0,2]=4 21184 B13R1.380 C#CCN1CCCC[C@H]1CC(=O)O 1f63b23d84acf4019e05a8446f18b56c [0,1,0,1,0,0|0,0,2]=4 21185 B13R1.380 C=CCN1CCCCC1CC(=O)O ccac8ec5141bb26734b79b4eaf6802da [0,1,0,1,0,0|0,0,2]=4 21186 B13R1.380 C=CCN1CCCC[C@H]1CC(=O)O 5c31d2bffdb823156a02305c403f25b2 [0,1,0,1,0,0|0,0,2]=4 21187 B13R1.380 CCCC1COCCN1CC(=O)N 152ea96f15459c53faa1923e5f3a4771 [0,1,0,1,0,0|2,0,0]=4 21188 B13R1.380 CCCC1COCCN1CC(=O)O f0dfc9aaf83fc032ea6b5450121bcd0f [0,1,0,1,0,0|1,0,0]=3 21189 B13R1.380 CCCN1CCCCC1CC(=O)N d1229177b3f7c30425f6ef646cf2c1ac [0,1,0,1,0,0|1,0,0]=3 21190 B13R1.380 CCCN1CCCCC1CC(=O)O a2af3532eea15f8fcb0d76a12e2664f9 [0,1,0,1,0,0|0,0,0]=2 21191 B13R1.380 CCCN1CCCC[C@@H]1CC(=O)N a7fc0e40c11e2ce6b0f00dcc0a7302ea [0,1,0,1,0,0|1,0,0]=3 21192 B13R1.380 CCCN1CCCC[C@H]1CC(=O)N 2b786780070ef5cbd2812b004dff6ee5 [0,1,0,1,0,0|1,0,0]=3 21193 B13R1.380 CCCN1CCCC[C@H]1CC(=O)O 5d778f9ac6c8ecb4df13a7fcba65d3fc [0,1,0,1,0,0|0,0,0]=2 21194 B13R1.380 CCCN1CCOCC1CC(=O)O 594efd896011564e1733d5e203f5d71b [0,1,0,1,0,0|1,0,0]=3 21195 B13R1.380 CCO[C@H]1CCCC[C@@H]1NC(=O)C cb1513ae9b8e7b0ad732ac4b068e8e98 [0,1,0,1,0,0|2,0,0]=4 21196 B13R1.380 COCC1CCCCN1CC(=O)N 042ef6670e5fb9ce72e319490d5cafc6 [0,1,0,1,0,0|2,0,0]=4 21197 B13R1.380 COCC1CCCCN1CC(=O)O 25c476816b0406b6057d2072a82bc9a7 [0,1,0,1,0,0|1,0,0]=3 21198 B13R1.380 COCN1CCCCC1CC(=O)N 10dfe5f7acb1491c3db734ce4cb008d0 [0,1,0,1,0,0|2,0,0]=4 21199 B13R1.380 COCN1CCCCC1CC(=O)O 5ee43be9918671aa4bab95718fd014c4 [0,1,0,1,0,0|1,0,0]=3 21200 B13R1.380 COCN1CCCC[C@@H]1CC(=O)N 91a0371e85c330e6ce0fb3f4681435cb [0,1,0,1,0,0|2,0,0]=4 21201 B13R1.380 COCN1CCCC[C@H]1CC(=O)N fafb560d791bf61cd42109c80aadbc12 [0,1,0,1,0,0|2,0,0]=4 21202 B13R1.380 COCN1CCCC[C@H]1CC(=O)O f4927aaf204dd5ae919aa711bdcfd4a4 [0,1,0,1,0,0|1,0,0]=3 21203 B13R1.380 COCN1CCOCC1CC(=O)O b01422a6487d78822252230379e6951a [0,1,0,1,0,0|2,0,0]=4 21204 B13R1.380 COC[C@@H]1COCCN1CC(=O)O a9f6e598cf35e637b244ac4f4cf678e3 [0,1,0,1,0,0|2,0,0]=4 21205 B13R1.380 COC[C@H]1COCCN1CC(=O)O c4d98a3663c755438b7179ab807e169b [0,1,0,1,0,0|2,0,0]=4 21206 B13R1.380 CSCN1CCCCC1CC(=O)N 731fbfa66822b0c29e18b440be10739f [0,1,0,1,0,0|2,0,0]=4 21207 B13R1.380 CSCN1CCCCC1CC(=O)O 8697ed3de9874643bc63f625d767c7eb [0,1,0,1,0,0|1,0,0]=3 21208 B13R1.380 CSCN1CCCC[C@@H]1CC(=O)N 53a4cab221d9c8930513941fb2861896 [0,1,0,1,0,0|2,0,0]=4 21209 B13R1.380 CSCN1CCCC[C@H]1CC(=O)N db07447881228c4f29b5f8662826bf13 [0,1,0,1,0,0|2,0,0]=4 21210 B13R1.380 CSCN1CCCC[C@H]1CC(=O)O 014882c6d20788246327d4c4c7829899 [0,1,0,1,0,0|1,0,0]=3 21211 B13R1.380 CSCN1CCOCC1CC(=O)O d6e7b6e54482091e6cbec1989d0b4e52 [0,1,0,1,0,0|2,0,0]=4 21212 B13R1.380 N#CCC1CCCCN1CC(=O)O 9120594bbfecb8f2da272dacf4ca73ba [0,1,0,1,0,0|1,0,1]=4 21213 B13R1.380 N#CCN1CCCCC1CC(=O)O 352598bda49cd894c8e9cd664fb0f661 [0,1,0,1,0,0|1,0,1]=4 21214 B13R1.380 N#CCN1CCCC[C@H]1CC(=O)O 3211b23b003deb6dd877941225f8013c [0,1,0,1,0,0|1,0,1]=4 21215 B13R1.380 NC(=O)CC1CCCCN1CCF 52658b7f7f595ec7c2369b9c06b91bf0 [0,1,0,1,0,0|2,0,0]=4 21216 B13R1.380 NC(=O)CC1CCCCN1CCO 74d08a68f4cd0855a02b0ff3a7db4153 [0,1,0,1,0,0|2,0,0]=4 21217 B13R1.380 NC(=O)CC1CCCCN1CCS f37b679b9862f1c912edc618095ecf55 [0,1,0,1,0,0|2,0,0]=4 21218 B13R1.380 NC(=O)CN1CCCCC1CCCl aa11697c249691fb119985a8c1f86be7 [0,1,0,1,0,0|2,0,0]=4 21219 B13R1.380 NC(=O)CN1CCCCC1CCO f3be650924786def46f0b2c0dc55d56e [0,1,0,1,0,0|2,0,0]=4 21220 B13R1.380 NC(=O)CN1CCCC[C@@H]1CCO 7cc47bdb16b185548f6ea2892a3c9c65 [0,1,0,1,0,0|2,0,0]=4 21221 B13R1.380 NC(=O)CN1CCCC[C@H]1CCO e7cd5528f08fb5599f6d30e5260db247 [0,1,0,1,0,0|2,0,0]=4 21222 B13R1.380 NC(=O)C[C@@H]1CCCCN1CCF 84085db36a72d7716e23f0873c41393e [0,1,0,1,0,0|2,0,0]=4 21223 B13R1.380 NC(=O)C[C@@H]1CCCCN1CCO 4a7541d64144f6d050c1ec9b82305540 [0,1,0,1,0,0|2,0,0]=4 21224 B13R1.380 NC(=O)C[C@@H]1CCCCN1CCS c8ae34b1705f2212be3a95408cbd9750 [0,1,0,1,0,0|2,0,0]=4 21225 B13R1.380 NC(=O)C[C@H]1CCCCN1CCF 456c7853eda29072aaadb59aadb37ebb [0,1,0,1,0,0|2,0,0]=4 21226 B13R1.380 NC(=O)C[C@H]1CCCCN1CCO 7b40ad8f4c20f1928ad45d7cfbf97e3b [0,1,0,1,0,0|2,0,0]=4 21227 B13R1.380 NC(=O)C[C@H]1CCCCN1CCS dc2862128ea6d894d1dd8f15beb9d2cd [0,1,0,1,0,0|2,0,0]=4 21228 B13R1.380 O=C(O)CC1CCCCN1CCF ab687792312db964eea400f7abcbb532 [0,1,0,1,0,0|1,0,0]=3 21229 B13R1.380 O=C(O)CC1CCCCN1CCO 86db110ab498ccbb86cf0c88922e0ef0 [0,1,0,1,0,0|1,0,0]=3 21230 B13R1.380 O=C(O)CC1CCCCN1CCS ceaee2ee80ae1ee1c7ce9acfb0b9a27d [0,1,0,1,0,0|1,0,0]=3 21231 B13R1.380 O=C(O)CC1COCCN1CCF 2ff0f601fd40bb87596f3cf707ad0fcb [0,1,0,1,0,0|2,0,0]=4 21232 B13R1.380 O=C(O)CC1COCCN1CCO aae4aded1f7aa639673ba30fc5290c8e [0,1,0,1,0,0|2,0,0]=4 21233 B13R1.380 O=C(O)CC1COCCN1CCS 44aad1f2e73f03d265894031c86fff1a [0,1,0,1,0,0|2,0,0]=4 21234 B13R1.380 O=C(O)CN1CCCCC1CCCl 7209033c988e7bc851a62da27a32d23e [0,1,0,1,0,0|1,0,0]=3 21235 B13R1.380 O=C(O)CN1CCCCC1CCO 501a1e4c9b7d671c8936e98f9d333439 [0,1,0,1,0,0|1,0,0]=3 21236 B13R1.380 O=C(O)CN1CCCC[C@@H]1CCO fc2f5c5b902d8d5852912712ea2ab0fb [0,1,0,1,0,0|1,0,0]=3 21237 B13R1.380 O=C(O)CN1CCCC[C@H]1CCO 735245b7b31e77a30f3f641f24b0b583 [0,1,0,1,0,0|1,0,0]=3 21238 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCF 5b5d092354879044f81bcc36b743963a [0,1,0,1,0,0|1,0,0]=3 21239 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCO b542a1af6f25d15a05d69585529fe1f3 [0,1,0,1,0,0|1,0,0]=3 21240 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCS 6e2a6b6d2d8fc7c7b4b1457ec5f72255 [0,1,0,1,0,0|1,0,0]=3 21241 B13R1.380 O=CCN1CCCCC1CC(=O)O 5ee2c568bf4ede6280cc836397df425d [0,1,0,1,0,0|1,0,1]=4 21242 B13R1.380 O=CCN1CCCC[C@H]1CC(=O)O 0178d5cf5b100c9c96f9cb354c57e05c [0,1,0,1,0,0|1,0,1]=4 21243 B13R1.392 CC(=O)CCN1CCCC1CCO 48de3ed67e2d1be6c04c45d9f6294282 [0,1,0,1,0,0|2,0,0]=4 21244 B13R1.392 CC(=O)CCN1CCC[C@@H]1CCO 1725d5d8e56fe7ce8c63e994ded79eda [0,1,0,1,0,0|2,0,0]=4 21245 B13R1.392 CCCC1C=CCN1CCC(=O)O 6a8063412330f15eebf111020bdf1f54 [0,1,0,1,0,0|0,0,2]=4 21246 B13R1.392 CCCC1SCCN1CCC(=O)C 28d6d9d866c84698155bee018045db1e [0,1,0,1,0,0|2,0,0]=4 21247 B13R1.392 CCCC1SCCN1CCC(=O)N 51dbc4c0fbf3ebb34ee42ad42d5be186 [0,1,0,1,0,0|2,0,0]=4 21248 B13R1.392 CCCC1SCCN1CCC(=O)O 7dd8c76f1ef05e952535d1fa2e3a0a79 [0,1,0,1,0,0|1,0,0]=3 21249 B13R1.392 COCC1CCCN1CCC(=O)C 58723becc175a4aee2c4a52aa47929e3 [0,1,0,1,0,0|2,0,0]=4 21250 B13R1.392 COCC1CCCN1CCC(=O)N 02ce2801117b3f472695279d6a37f92f [0,1,0,1,0,0|2,0,0]=4 21251 B13R1.392 COCC1CCCN1CCC(=O)O b493787e051b18df251687e03d920652 [0,1,0,1,0,0|1,0,0]=3 21252 B13R1.392 COC[C@@H]1CCCN1CCC(=O)C a68007abab577960309670a6d689c0ce [0,1,0,1,0,0|2,0,0]=4 21253 B13R1.392 COC[C@@H]1CCCN1CCC(=O)N 0fd7ff1201d5cf03a476c46223141f93 [0,1,0,1,0,0|2,0,0]=4 21254 B13R1.392 COC[C@@H]1CCCN1CCC(=O)O e770c95c001c4d9f6c505a41feb19217 [0,1,0,1,0,0|1,0,0]=3 21255 B13R1.392 COC[C@@H]1CCC[C@@H]1NCC(=O)N 140e7fabf4b11b0ba93a9fa0062197a2 [0,1,0,1,0,0|2,0,0]=4 21256 B13R1.392 COC[C@@H]1CCC[C@@H]1NCC(=O)O a13f05f1698af70cde4b26edafa78726 [0,1,0,1,0,0|1,0,0]=3 21257 B13R1.392 COC[C@H]1CCCN1CCC(=O)C 476d68a0dbedf6ddda378ab104bc127d [0,1,0,1,0,0|2,0,0]=4 21258 B13R1.392 COC[C@H]1CCCN1CCC(=O)N 0e37b587b421a48a5144deb25c30af9c [0,1,0,1,0,0|2,0,0]=4 21259 B13R1.392 COC[C@H]1CCCN1CCC(=O)O 50c3d78d9c99f7a4554c9204b0819a58 [0,1,0,1,0,0|1,0,0]=3 21260 B13R1.392 COC[C@H]1CCC[C@H]1NCC(=O)N fc611bed994b4b534ba697e3df66cf19 [0,1,0,1,0,0|2,0,0]=4 21261 B13R1.392 COC[C@H]1CCC[C@H]1NCC(=O)O c4c076f9941c0a3e8aca7e42882bdfda [0,1,0,1,0,0|1,0,0]=3 21262 B13R1.392 CSCC1CCCN1CCC(=O)C 84390abc09e7df3d3f17748296aad385 [0,1,0,1,0,0|2,0,0]=4 21263 B13R1.392 CSCC1CCCN1CCC(=O)N bed7e370e9080db3969fd5fc29a88852 [0,1,0,1,0,0|2,0,0]=4 21264 B13R1.392 CSCC1CCCN1CCC(=O)O af7d0ee74b4908ef3e49cfe34fa92b47 [0,1,0,1,0,0|1,0,0]=3 21265 B13R1.392 NC(=O)CCN1CCCC1CCO dd110b22c30189b9295ff521a3b4758f [0,1,0,1,0,0|2,0,0]=4 21266 B13R1.392 NC(=O)CCN1CCC[C@@H]1CCO d87e83f111eea0385e3ee7adc3807528 [0,1,0,1,0,0|2,0,0]=4 21267 B13R1.392 O=C(O)CCN1CCCC1CCO 90af6b2295df96217e4d885407b23a7d [0,1,0,1,0,0|1,0,0]=3 21268 B13R1.392 O=C(O)CCN1CCC[C@@H]1CCO d5e9f2b09ca5b9c6e3c32978b3eea9f6 [0,1,0,1,0,0|1,0,0]=3 21269 B13R1.478 CCOC[C@@H]1CC[C@@H]1COC(=O)C 98c3f24e9e45e6f5d1858889d1287149 [0,1,0,1,0,0|2,0,0]=4 21270 B13R1.478 CCOC[C@H]1CC[C@H]1COC(=O)C 78b90e52d19634133d6c57d772e7f677 [0,1,0,1,0,0|2,0,0]=4 21271 B13R1.559 C=C1CC1COCCCCCCC 575d35b69df0b21ab06fd1bb8688ece9 [0,1,0,1,0,0|2,0,0]=4 21272 B13R1.572 C#CCCN1CCCCC1C(=O)O 7b61f24498cbcec3b07cf365138aac00 [0,1,0,1,0,0|0,0,2]=4 21273 B13R1.572 C#CCCN1CCCC[C@@H]1C(=O)O d7dfc67c71b1c4336f16dad9b3c0ee1a [0,1,0,1,0,0|0,0,2]=4 21274 B13R1.572 C#CCCN1CCCC[C@H]1C(=O)O 8ad2884a66d455f176d3c44f752f459b [0,1,0,1,0,0|0,0,2]=4 21275 B13R1.572 C#CCNC1CCCCC1C(=O)O 02de9698a71b01f7d5fc1a683e375d14 [0,1,0,1,0,0|0,0,2]=4 21276 B13R1.572 C#CCN[C@H]1CCCC[C@@H]1C(=O)O 4a830435140aece28f7b7c85e7058bc6 [0,1,0,1,0,0|0,0,2]=4 21277 B13R1.572 C#CCN[C@H]1CCCC[C@H]1C(=O)O ca89c5881b0ef4894491a45f9fd67d85 [0,1,0,1,0,0|0,0,2]=4 21278 B13R1.572 C#CCOC1CCCCC1C(=O)O 00d257b621900c5a58030bf6c3a5ddd0 [0,1,0,1,0,0|0,0,2]=4 21279 B13R1.572 C/C=C/CN1CCCCC1C(=O)O b3611d4d4adb8ddd18cbad8a4e225eb4 [0,1,0,1,0,0|0,0,2]=4 21280 B13R1.572 C/C=C/CN1CCCC[C@@H]1C(=O)O 66ac0b191433a5ccc1823fe7a9af66f1 [0,1,0,1,0,0|0,0,2]=4 21281 B13R1.572 C/C=C/CN1CCCC[C@H]1C(=O)O 459c3333ca1e8690ae28eb41e8abfa4e [0,1,0,1,0,0|0,0,2]=4 21282 B13R1.572 C/C=C\CN1CCCCC1C(=O)O 538800deefc1ce0750ff837efbad1be7 [0,1,0,1,0,0|0,0,2]=4 21283 B13R1.572 C/C=C\CN1CCCC[C@@H]1C(=O)O dff5b8c86d8cbaa529075c0b5b901079 [0,1,0,1,0,0|0,0,2]=4 21284 B13R1.572 C/C=C\CN1CCCC[C@H]1C(=O)O 1f8ae188bbaa0805bb925e3316838f5b [0,1,0,1,0,0|0,0,2]=4 21285 B13R1.572 C=CCCN1CCCCC1C(=O)O 308e885c3bf165a7a5929c9e69e6ef88 [0,1,0,1,0,0|0,0,2]=4 21286 B13R1.572 C=CCCN1CCCC[C@@H]1C(=O)O 00bc1b7621ee965a37bce9ec21819402 [0,1,0,1,0,0|0,0,2]=4 21287 B13R1.572 C=CCCN1CCCC[C@H]1C(=O)O 3585eba811d9552493627e2bbecdd0c0 [0,1,0,1,0,0|0,0,2]=4 21288 B13R1.572 C=CCNC1CCCCC1C(=O)O 3dfe08c8a251c6926772713001d218aa [0,1,0,1,0,0|0,0,2]=4 21289 B13R1.572 C=CCN[C@H]1CCCC[C@@H]1C(=O)O 40606d2cf5bffa64d482e2a3252e9346 [0,1,0,1,0,0|0,0,2]=4 21290 B13R1.572 C=CCN[C@H]1CCCC[C@H]1C(=O)O e03494951e830047ec7b507857ac1037 [0,1,0,1,0,0|0,0,2]=4 21291 B13R1.572 C=CCOC1CCCCC1C(=O)O 6ef97e16b468f3ad903b3c358a22be40 [0,1,0,1,0,0|0,0,2]=4 21292 B13R1.572 CC(=O)C1CCCCN1CCCF fea0c1d0456d24ec61deeb3db21b839d [0,1,0,1,0,0|2,0,0]=4 21293 B13R1.572 CC(=O)C1CCCCN1CCCO aab3fdbd2e073499f8d76060ae4e6a89 [0,1,0,1,0,0|2,0,0]=4 21294 B13R1.572 CC(=O)C1CCCCN1CCCS 5db741996ee8e49d8959a1f3d80ad572 [0,1,0,1,0,0|2,0,0]=4 21295 B13R1.572 CC(=O)N1CCCCC1CCCO 2d7eae2c16efcdd5e058ec4ef02109b6 [0,1,0,1,0,0|2,0,0]=4 21296 B13R1.572 CCCCN1CC=CC[C@H]1C(=O)O 180ad9504b6ec2b8eca80cd6ec5da37a [0,1,0,1,0,0|0,0,2]=4 21297 B13R1.572 CCCCN1CCCCC1C(=O)C bd97ea84bc34f779ce7f4323fe652561 [0,1,0,1,0,0|1,0,0]=3 21298 B13R1.572 CCCCN1CCCCC1C(=O)N 3f4cfc1c9a572f0064581f1d86ad0e55 [0,1,0,1,0,0|1,0,0]=3 21299 B13R1.572 CCCCN1CCCCC1C(=O)O 1f52fecf3aa8b78dd1ffff90bc902c33 [0,1,0,1,0,0|0,0,0]=2 21300 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)N 98bc9f2d731b6be6673ddba9e5be3efc [0,1,0,1,0,0|1,0,0]=3 21301 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 47e06aac6667d4e81d956a86c9e7163a [0,1,0,1,0,0|0,0,0]=2 21302 B13R1.572 CCCCN1CCCC[C@H]1C(=O)N 2751594260f688e93ee5226bd4c8a637 [0,1,0,1,0,0|1,0,0]=3 21303 B13R1.572 CCCCN1CCCC[C@H]1C(=O)O 63d1cdb85cf96247585912b18ebc86a0 [0,1,0,1,0,0|0,0,0]=2 21304 B13R1.572 CCCCN1CCCSC1C(=O)O 88a30a909d58a6f8c487d9a4f54799d9 [0,1,0,1,0,0|1,0,0]=3 21305 B13R1.572 CCCCN1CCOCC1C(=O)N 3e6b832fa09e91bf4c227ce13a1c8b42 [0,1,0,1,0,0|2,0,0]=4 21306 B13R1.572 CCCCN1CCOCC1C(=O)O 5efc818cf3a41e87496123d5a776d1a8 [0,1,0,1,0,0|1,0,0]=3 21307 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)N 210fe42795d324d024361a427513db70 [0,1,0,1,0,0|2,0,0]=4 21308 B13R1.572 CCCCN1CCOC[C@@H]1C(=O)O 0a80e5a89dbfd3e84db7a69d275624ef [0,1,0,1,0,0|1,0,0]=3 21309 B13R1.572 CCCCN1CCOC[C@H]1C(=O)N 91fb3a4ab3d72a9d9d059c08569594a6 [0,1,0,1,0,0|2,0,0]=4 21310 B13R1.572 CCCCN1CCOC[C@H]1C(=O)O 5d95ecf1231a093aeef5a99de347540d [0,1,0,1,0,0|1,0,0]=3 21311 B13R1.572 CCCCN1CCSCC1C(=O)O 9020c880ba12599fed3a406afa70a2d8 [0,1,0,1,0,0|1,0,0]=3 21312 B13R1.572 CCCCN1CCSC[C@@H]1C(=O)O 0063c60a3d0adb718c5c5391b69626b8 [0,1,0,1,0,0|1,0,0]=3 21313 B13R1.572 CCCCN1CCSC[C@H]1C(=O)O bb9e7dca7c31e878e178ab68e1364c10 [0,1,0,1,0,0|1,0,0]=3 21314 B13R1.572 CCCNC1CCCCC1C(=O)O 244aca53fd6340b8174b276176c41540 [0,1,0,1,0,0|0,0,0]=2 21315 B13R1.572 CCCN[C@@H]1CC=CC[C@@H]1C(=O)O 87fece4eff9a64740bb51cfbbacbbd19 [0,1,0,1,0,0|0,0,2]=4 21316 B13R1.572 CCCN[C@@H]1CCCC[C@@H]1C(=O)N 6d588f0f2216d6490d4ef543c354e290 [0,1,0,1,0,0|1,0,0]=3 21317 B13R1.572 CCCN[C@@H]1CCCC[C@H]1C(=O)N 048f063ccd6f92c4ccfa2efb8551238d [0,1,0,1,0,0|1,0,0]=3 21318 B13R1.572 CCCN[C@H]1CC=CC[C@@H]1C(=O)O 32a8bad6b9167e402539a3c8720209bc [0,1,0,1,0,0|0,0,2]=4 21319 B13R1.572 CCCN[C@H]1CCCC[C@@H]1C(=O)N 813c0878c0dd87079b8249877bb16c69 [0,1,0,1,0,0|1,0,0]=3 21320 B13R1.572 CCCN[C@H]1CCCC[C@@H]1C(=O)O a86ad4a5f368603e91898d71d916ca97 [0,1,0,1,0,0|0,0,0]=2 21321 B13R1.572 CCCN[C@H]1CCCC[C@H]1C(=O)N 658bf7cdde1dba17c919b43cf559bfd8 [0,1,0,1,0,0|1,0,0]=3 21322 B13R1.572 CCCN[C@H]1CCCC[C@H]1C(=O)O 625d5fb1f6708ed369ee1b91e2f0726d [0,1,0,1,0,0|0,0,0]=2 21323 B13R1.572 CCCN[C@H]1COCC[C@H]1C(=O)O 51a63c7029c1833d54f8979c029ad65f [0,1,0,1,0,0|1,0,0]=3 21324 B13R1.572 CCCOC1CCCCC1C(=O)O cb6c5c99f1c3b565c53509328478ddb8 [0,1,0,1,0,0|0,0,0]=2 21325 B13R1.572 CCCOC1CCCCC1[N+](=O)[O-] d291f1dbd88dc0a14e4ceadbb27fbf22 [0,1,0,1,0,0|1,0,1]=4 21326 B13R1.572 CCCOC1CCOCC1C(=O)O 3980a46dab71beac1e835ab2e49c16f7 [0,1,0,1,0,0|1,0,0]=3 21327 B13R1.572 CCOCN1CCCCC1C(=O)C d82b313b6c10872cc49e3ecca64da5b8 [0,1,0,1,0,0|2,0,0]=4 21328 B13R1.572 CCOCN1CCCCC1C(=O)N 67929f71107439931601c7bb15433961 [0,1,0,1,0,0|2,0,0]=4 21329 B13R1.572 CCOCN1CCCCC1C(=O)O d38cabedca6d015f8caf68ae8218ef5a [0,1,0,1,0,0|1,0,0]=3 21330 B13R1.572 CCOCN1CCCC[C@@H]1C(=O)N 593dc20500b4eb0d892ea5c6171c5a54 [0,1,0,1,0,0|2,0,0]=4 21331 B13R1.572 CCOCN1CCCC[C@@H]1C(=O)O e9d7dbe78447908b1f491e5bde639396 [0,1,0,1,0,0|1,0,0]=3 21332 B13R1.572 CCOCN1CCCC[C@H]1C(=O)N 7b917991b219fd7d9959895a1cdea42d [0,1,0,1,0,0|2,0,0]=4 21333 B13R1.572 CCOCN1CCCC[C@H]1C(=O)O 16935404e2f3ef9d5bb2c3f5cb197c38 [0,1,0,1,0,0|1,0,0]=3 21334 B13R1.572 CCOCN1CCCSC1C(=O)O f76bba677a78613521e040fd0974e1d0 [0,1,0,1,0,0|2,0,0]=4 21335 B13R1.572 CCOCN1CCOCC1C(=O)O 22bc0203fa54c7241f1ccf74f0723e1d [0,1,0,1,0,0|2,0,0]=4 21336 B13R1.572 CCOCN1CCOC[C@@H]1C(=O)O df49fe441663a9cd94cbf63500cbf119 [0,1,0,1,0,0|2,0,0]=4 21337 B13R1.572 CCOCN1CCOC[C@H]1C(=O)O b28b2e294905a07903e8342c830be39a [0,1,0,1,0,0|2,0,0]=4 21338 B13R1.572 CCOCN1CCSCC1C(=O)O 3f241a90599e71c72dafdbe590bcbdf0 [0,1,0,1,0,0|2,0,0]=4 21339 B13R1.572 CCOCN1CCSC[C@@H]1C(=O)O b322077f9e0d89754f17d9761b17c5a6 [0,1,0,1,0,0|2,0,0]=4 21340 B13R1.572 CCOCN1CCSC[C@H]1C(=O)O 70930b66d7af51649f3beb303010c415 [0,1,0,1,0,0|2,0,0]=4 21341 B13R1.572 COCCC1CCCCN1C(=O)C 330bf6320536d80c4a6e2d41bac3641a [0,1,0,1,0,0|2,0,0]=4 21342 B13R1.572 COCCN1CCCCC1C(=O)C f12c66d723a533e637513a361511d706 [0,1,0,1,0,0|2,0,0]=4 21343 B13R1.572 COCCN1CCCCC1C(=O)N e6fb87c2e13a76b437562954f0d64560 [0,1,0,1,0,0|2,0,0]=4 21344 B13R1.572 COCCN1CCCCC1C(=O)O f2213714655badc4634137a18cd03693 [0,1,0,1,0,0|1,0,0]=3 21345 B13R1.572 COCCN1CCCC[C@@H]1C(=O)N f9a746757f93a929be7019ed3d24eb87 [0,1,0,1,0,0|2,0,0]=4 21346 B13R1.572 COCCN1CCCC[C@@H]1C(=O)O ea0ef39d9cfb1f2584eb8abc9ca2478b [0,1,0,1,0,0|1,0,0]=3 21347 B13R1.572 COCCN1CCCC[C@H]1C(=O)N e968b8c6c11255907965d2ce4a1a63df [0,1,0,1,0,0|2,0,0]=4 21348 B13R1.572 COCCN1CCCC[C@H]1C(=O)O b9de0e4767c15f80d3b14bf367204c99 [0,1,0,1,0,0|1,0,0]=3 21349 B13R1.572 COCCN1CCCSC1C(=O)O 258a231556c13ba66f00048896300887 [0,1,0,1,0,0|2,0,0]=4 21350 B13R1.572 COCCN1CCOCC1C(=O)O b8da6c678dc265da635e40d3ba4ad467 [0,1,0,1,0,0|2,0,0]=4 21351 B13R1.572 COCCN1CCOC[C@@H]1C(=O)O dd4e32246b3cae8f15552409e61136e5 [0,1,0,1,0,0|2,0,0]=4 21352 B13R1.572 COCCN1CCOC[C@H]1C(=O)O 4204151c25c55bf79561b6792544c3ac [0,1,0,1,0,0|2,0,0]=4 21353 B13R1.572 COCCN1CCSCC1C(=O)O 89d09a9e22b5fae6a4f3e8532d83233a [0,1,0,1,0,0|2,0,0]=4 21354 B13R1.572 COCCN1CCSC[C@@H]1C(=O)O 4fc837ab0aea120f799d94bdf2bce284 [0,1,0,1,0,0|2,0,0]=4 21355 B13R1.572 COCCN1CCSC[C@H]1C(=O)O a3737c5cafdc04832a12d1c58dbbe05d [0,1,0,1,0,0|2,0,0]=4 21356 B13R1.572 COCNC1CCCCC1C(=O)O 46a649e894fbd6e107893e470a6f0141 [0,1,0,1,0,0|1,0,0]=3 21357 B13R1.572 COCN[C@@H]1CCCC[C@@H]1C(=O)N 79e6230e49a3ed5c4ab94636ee0458ad [0,1,0,1,0,0|2,0,0]=4 21358 B13R1.572 COCN[C@@H]1CCCC[C@H]1C(=O)N ce785d73e3a3e06152190369b16ce086 [0,1,0,1,0,0|2,0,0]=4 21359 B13R1.572 COCN[C@H]1CCCC[C@@H]1C(=O)N 517919fa32ae97be151112a9a0f68efb [0,1,0,1,0,0|2,0,0]=4 21360 B13R1.572 COCN[C@H]1CCCC[C@@H]1C(=O)O cd6dab1703dfd35f801ecde4412e888a [0,1,0,1,0,0|1,0,0]=3 21361 B13R1.572 COCN[C@H]1CCCC[C@H]1C(=O)N e54b6d249c777e69d2ff1dce285bb916 [0,1,0,1,0,0|2,0,0]=4 21362 B13R1.572 COCN[C@H]1CCCC[C@H]1C(=O)O 46e7520729f562a48f11f50322fe980b [0,1,0,1,0,0|1,0,0]=3 21363 B13R1.572 COCN[C@H]1COCC[C@H]1C(=O)O 9f3ae3f9ea7acceb8778b2e0acd365f7 [0,1,0,1,0,0|2,0,0]=4 21364 B13R1.572 COCOC1CCCCC1C(=O)O 79202dff9e931ac27781d725f36be133 [0,1,0,1,0,0|1,0,0]=3 21365 B13R1.572 COCOC1CCOCC1C(=O)O 4e50e869d964de8700d62fcfbacf62b5 [0,1,0,1,0,0|2,0,0]=4 21366 B13R1.572 CSCCN1CCCCC1C(=O)C 13055844f2eeb02504c3d7d0ec1eff2a [0,1,0,1,0,0|2,0,0]=4 21367 B13R1.572 CSCCN1CCCCC1C(=O)N 192bab2a539429c75d3ca4c01a18e2a6 [0,1,0,1,0,0|2,0,0]=4 21368 B13R1.572 CSCCN1CCCCC1C(=O)O 61f89a03fa4eda6a1146abb1a3a2ca02 [0,1,0,1,0,0|1,0,0]=3 21369 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)N 69f4122fb8a08851247931a5eee1eb3e [0,1,0,1,0,0|2,0,0]=4 21370 B13R1.572 CSCCN1CCCC[C@@H]1C(=O)O ec2ac9dec35c89193b709777ec592147 [0,1,0,1,0,0|1,0,0]=3 21371 B13R1.572 CSCCN1CCCC[C@H]1C(=O)N 87895db26aa8e330c4a347eb6a53e7d5 [0,1,0,1,0,0|2,0,0]=4 21372 B13R1.572 CSCCN1CCCC[C@H]1C(=O)O 16ed1420f75e6ca7a6f340bd04a05f7d [0,1,0,1,0,0|1,0,0]=3 21373 B13R1.572 CSCCN1CCCSC1C(=O)O b780a0981b8826d246d6dbc118e40ceb [0,1,0,1,0,0|2,0,0]=4 21374 B13R1.572 CSCCN1CCOCC1C(=O)O 3d3bc5e06ad17717845ab9b1ff2753cf [0,1,0,1,0,0|2,0,0]=4 21375 B13R1.572 CSCCN1CCOC[C@@H]1C(=O)O d2e592e48e5e7756240a2a01cac05adf [0,1,0,1,0,0|2,0,0]=4 21376 B13R1.572 CSCCN1CCOC[C@H]1C(=O)O 9f2c0354902f7ade17bc0ef618f50150 [0,1,0,1,0,0|2,0,0]=4 21377 B13R1.572 CSCCN1CCSCC1C(=O)O be03a9eec490232df996bb9dea9e073f [0,1,0,1,0,0|2,0,0]=4 21378 B13R1.572 CSCCN1CCSC[C@@H]1C(=O)O 309f58140cbd1992433d1a96cee7ffd4 [0,1,0,1,0,0|2,0,0]=4 21379 B13R1.572 CSCCN1CCSC[C@H]1C(=O)O e1e8548cfe8d3f80ee9015fb27e4bc06 [0,1,0,1,0,0|2,0,0]=4 21380 B13R1.572 CSCNC1CCCCC1C(=O)O 48b8876f0297d34135d8876b9ecbddb3 [0,1,0,1,0,0|1,0,0]=3 21381 B13R1.572 CSCN[C@@H]1CCCC[C@@H]1C(=O)N 9c85092096be123013ada680cb61c215 [0,1,0,1,0,0|2,0,0]=4 21382 B13R1.572 CSCN[C@@H]1CCCC[C@H]1C(=O)N ce28f7ee82f06d040edcfc3c445c6f77 [0,1,0,1,0,0|2,0,0]=4 21383 B13R1.572 CSCN[C@H]1CCCC[C@@H]1C(=O)N be5dff36df6fefe3f5344363878c06a9 [0,1,0,1,0,0|2,0,0]=4 21384 B13R1.572 CSCN[C@H]1CCCC[C@@H]1C(=O)O 1210a2a9e5b8652301836120c716df8c [0,1,0,1,0,0|1,0,0]=3 21385 B13R1.572 CSCN[C@H]1CCCC[C@H]1C(=O)N e4dac95183566340029ce755804922b1 [0,1,0,1,0,0|2,0,0]=4 21386 B13R1.572 CSCN[C@H]1CCCC[C@H]1C(=O)O 7b95c48d44a7c261428a1a8ac6ff454e [0,1,0,1,0,0|1,0,0]=3 21387 B13R1.572 CSCN[C@H]1COCC[C@H]1C(=O)O e1297206f20e8e2217159afd6661c82c [0,1,0,1,0,0|2,0,0]=4 21388 B13R1.572 CSCOC1CCCCC1C(=O)O ef7d962225adb84632f5d36ddc8ccd2f [0,1,0,1,0,0|1,0,0]=3 21389 B13R1.572 CSCOC1CCOCC1C(=O)O 04e9be6b1963f081f9d2c1e9343e7d9d [0,1,0,1,0,0|2,0,0]=4 21390 B13R1.572 N#CCCN1CCCCC1C(=O)O a9b31d33dc32338e4c2a6c1c4920922d [0,1,0,1,0,0|1,0,1]=4 21391 B13R1.572 N#CCCN1CCCC[C@@H]1C(=O)O f009f405fb6ee9372e00d27f9890d84f [0,1,0,1,0,0|1,0,1]=4 21392 B13R1.572 N#CCCN1CCCC[C@H]1C(=O)O 25aeea40464a05158cc156509faa6542 [0,1,0,1,0,0|1,0,1]=4 21393 B13R1.572 N#CCNC1CCCCC1C(=O)O e553f33e9b6a06f1abaf7c00bc675458 [0,1,0,1,0,0|1,0,1]=4 21394 B13R1.572 N#CCN[C@H]1CCCC[C@@H]1C(=O)O 3ebbf1ccee84d14239cd95faa2b8c7ce [0,1,0,1,0,0|1,0,1]=4 21395 B13R1.572 N#CCN[C@H]1CCCC[C@H]1C(=O)O 7573dd9542b48421449c273060159410 [0,1,0,1,0,0|1,0,1]=4 21396 B13R1.572 N#CCOC1CCCCC1C(=O)O ede5f389b341dc9596998d837c5df62f [0,1,0,1,0,0|1,0,1]=4 21397 B13R1.572 NC(=O)C1CCCCN1CCCF fa51bf4fb53a08f8e845c4ff65030743 [0,1,0,1,0,0|2,0,0]=4 21398 B13R1.572 NC(=O)C1CCCCN1CCCO e6ebcb5a4d1b4cbc37293292b35fd9d2 [0,1,0,1,0,0|2,0,0]=4 21399 B13R1.572 NC(=O)C1CCCCN1CCCS bc94eb37f2bff5bb6ade885e20dfc6c6 [0,1,0,1,0,0|2,0,0]=4 21400 B13R1.572 NC(=O)[C@@H]1CCCCN1CCCF fe455eba6a224d28673d8c08054dfcd7 [0,1,0,1,0,0|2,0,0]=4 21401 B13R1.572 NC(=O)[C@@H]1CCCCN1CCCO 103413577a93da512f5c36142a284424 [0,1,0,1,0,0|2,0,0]=4 21402 B13R1.572 NC(=O)[C@@H]1CCCCN1CCCS 802a8dd85b0b9f1c1531146928d1a626 [0,1,0,1,0,0|2,0,0]=4 21403 B13R1.572 NC(=O)[C@@H]1CCCC[C@@H]1NCCF 8020ba29879a338bc370b129b8b4fd41 [0,1,0,1,0,0|2,0,0]=4 21404 B13R1.572 NC(=O)[C@@H]1CCCC[C@@H]1NCCO e2485625c448432bc66c35061ce9a54f [0,1,0,1,0,0|2,0,0]=4 21405 B13R1.572 NC(=O)[C@@H]1CCCC[C@@H]1NCCS 96764785bbed520483c802d064c4a807 [0,1,0,1,0,0|2,0,0]=4 21406 B13R1.572 NC(=O)[C@@H]1CCCC[C@H]1NCCF e1dd49e0bca5fc210a5497586fb0e8ad [0,1,0,1,0,0|2,0,0]=4 21407 B13R1.572 NC(=O)[C@@H]1CCCC[C@H]1NCCO f6a787f8c7c770abf2ee054da4acbf20 [0,1,0,1,0,0|2,0,0]=4 21408 B13R1.572 NC(=O)[C@@H]1CCCC[C@H]1NCCS 607cbe816f0fc8620500d739529bff65 [0,1,0,1,0,0|2,0,0]=4 21409 B13R1.572 NC(=O)[C@H]1CCCCN1CCCF 49d62114ee59c82f517a14a69e7d9453 [0,1,0,1,0,0|2,0,0]=4 21410 B13R1.572 NC(=O)[C@H]1CCCCN1CCCO 134b8d50660338e081005af25f18a456 [0,1,0,1,0,0|2,0,0]=4 21411 B13R1.572 NC(=O)[C@H]1CCCCN1CCCS 0a58c2e517c243a4bf3fae6bf2f64002 [0,1,0,1,0,0|2,0,0]=4 21412 B13R1.572 NC(=O)[C@H]1CCCC[C@@H]1NCCF 5e903b8b81e9aa581b5bb83d366cdbda [0,1,0,1,0,0|2,0,0]=4 21413 B13R1.572 NC(=O)[C@H]1CCCC[C@@H]1NCCO d96ee581f7b489127b56d5031bc6bcaf [0,1,0,1,0,0|2,0,0]=4 21414 B13R1.572 NC(=O)[C@H]1CCCC[C@@H]1NCCS 49061e09a0047a8fad086d56d03e783f [0,1,0,1,0,0|2,0,0]=4 21415 B13R1.572 NC(=O)[C@H]1CCCC[C@H]1NCCF 8496d400030d156bbaa0187e6614f717 [0,1,0,1,0,0|2,0,0]=4 21416 B13R1.572 NC(=O)[C@H]1CCCC[C@H]1NCCO d5907c9a50651f7d1cfc7e5b4e6de959 [0,1,0,1,0,0|2,0,0]=4 21417 B13R1.572 NC(=O)[C@H]1CCCC[C@H]1NCCS 0798adc01da7de1f39cde7929b17075d [0,1,0,1,0,0|2,0,0]=4 21418 B13R1.572 O=C(O)C1CCCCC1NCCF 795e4833acafbcc0f327bf81da9237be [0,1,0,1,0,0|1,0,0]=3 21419 B13R1.572 O=C(O)C1CCCCC1NCCO bcf0f2669082056122b8228cb97aedba [0,1,0,1,0,0|1,0,0]=3 21420 B13R1.572 O=C(O)C1CCCCC1NCCS 13d5ac89e16dc7d49d26c9322318e31c [0,1,0,1,0,0|1,0,0]=3 21421 B13R1.572 O=C(O)C1CCCCC1OCCF 8800293b2bf256568ee0a1d0248862ac [0,1,0,1,0,0|1,0,0]=3 21422 B13R1.572 O=C(O)C1CCCCC1OCCS 12475ab1da799a2e28cab19e9011c249 [0,1,0,1,0,0|1,0,0]=3 21423 B13R1.572 O=C(O)C1CCCCN1CCCF c0efe5bee3c4e092d456bda4ddf2ef20 [0,1,0,1,0,0|1,0,0]=3 21424 B13R1.572 O=C(O)C1CCCCN1CCCO d6bb8075dfb0539bd039b58672e17657 [0,1,0,1,0,0|1,0,0]=3 21425 B13R1.572 O=C(O)C1CCCCN1CCCS c7bc48e801574fe22c59db1d8c976319 [0,1,0,1,0,0|1,0,0]=3 21426 B13R1.572 O=C(O)C1COCCC1OCCF d064af68b52b1f0f66f5e0d4893bd4b5 [0,1,0,1,0,0|2,0,0]=4 21427 B13R1.572 O=C(O)C1COCCC1OCCS abda7e9a4aac237250d279a62c702753 [0,1,0,1,0,0|2,0,0]=4 21428 B13R1.572 O=C(O)C1COCCN1CCCF 8eeee5d14aa6739f51171ee4c1d1debc [0,1,0,1,0,0|2,0,0]=4 21429 B13R1.572 O=C(O)C1COCCN1CCCO 4b14462e7ffb669f17ca339406687eeb [0,1,0,1,0,0|2,0,0]=4 21430 B13R1.572 O=C(O)C1COCCN1CCCS 17c8eb15cb6dd964a635f784dcc4b1fd [0,1,0,1,0,0|2,0,0]=4 21431 B13R1.572 O=C(O)C1CSCCN1CCCF 312d02d28185c5d895ca56cd83269bc3 [0,1,0,1,0,0|2,0,0]=4 21432 B13R1.572 O=C(O)C1CSCCN1CCCO 46dfc08a43726c5c32a1526dae870c87 [0,1,0,1,0,0|2,0,0]=4 21433 B13R1.572 O=C(O)C1CSCCN1CCCS ab736c4b679e4ccb971ef62265a01229 [0,1,0,1,0,0|2,0,0]=4 21434 B13R1.572 O=C(O)C1SCCCN1CCCF b7506e23c245620d510ff59accbad7b2 [0,1,0,1,0,0|2,0,0]=4 21435 B13R1.572 O=C(O)C1SCCCN1CCCO 8b26cb369f7a157744f640f7849594d8 [0,1,0,1,0,0|2,0,0]=4 21436 B13R1.572 O=C(O)C1SCCCN1CCCS c431546ef1f636531e3a81924d8a931f [0,1,0,1,0,0|2,0,0]=4 21437 B13R1.572 O=C(O)[C@@H]1CCCCN1CCCF c1cd63a403fd21fd384995babab45d31 [0,1,0,1,0,0|1,0,0]=3 21438 B13R1.572 O=C(O)[C@@H]1CCCCN1CCCO 2703558d6e2a8a1d258316312dfc5458 [0,1,0,1,0,0|1,0,0]=3 21439 B13R1.572 O=C(O)[C@@H]1CCCCN1CCCS a57b558c1dd86dbbb010e6807b388628 [0,1,0,1,0,0|1,0,0]=3 21440 B13R1.572 O=C(O)[C@@H]1CCCC[C@@H]1NCCF 6292ee4e4c8b9f99523bcf0ff8366f94 [0,1,0,1,0,0|1,0,0]=3 21441 B13R1.572 O=C(O)[C@@H]1CCCC[C@@H]1NCCO b012e2c78177f85dd623fe2ac5da15b9 [0,1,0,1,0,0|1,0,0]=3 21442 B13R1.572 O=C(O)[C@@H]1CCCC[C@@H]1NCCS 7889d1147b4edd104711714d984a884f [0,1,0,1,0,0|1,0,0]=3 21443 B13R1.572 O=C(O)[C@@H]1CCOC[C@@H]1NCCF 38879c977d6449fafa4a55c4d42b0f74 [0,1,0,1,0,0|2,0,0]=4 21444 B13R1.572 O=C(O)[C@@H]1CCOC[C@@H]1NCCO 7b2689a594efffdc6ac2392b629f2550 [0,1,0,1,0,0|2,0,0]=4 21445 B13R1.572 O=C(O)[C@@H]1CCOC[C@@H]1NCCS 0cdf9c7cbe422c672691ca92d20bb873 [0,1,0,1,0,0|2,0,0]=4 21446 B13R1.572 O=C(O)[C@@H]1COCCN1CCCF 5a2c3c30e225d4da87e306b439466ece [0,1,0,1,0,0|2,0,0]=4 21447 B13R1.572 O=C(O)[C@@H]1COCCN1CCCO dfdced2d2bac717aad464da4f19bd0e4 [0,1,0,1,0,0|2,0,0]=4 21448 B13R1.572 O=C(O)[C@@H]1COCCN1CCCS 7cf2e4a9ec6d7d103bef16a39867a9cc [0,1,0,1,0,0|2,0,0]=4 21449 B13R1.572 O=C(O)[C@@H]1CSCCN1CCCF 2b008a375d2e9e9f09170845f2a4cb1b [0,1,0,1,0,0|2,0,0]=4 21450 B13R1.572 O=C(O)[C@@H]1CSCCN1CCCO 2b2199e5f6763ed190a93b1d2c7142f9 [0,1,0,1,0,0|2,0,0]=4 21451 B13R1.572 O=C(O)[C@@H]1CSCCN1CCCS af81847f7884225e4a36dfd23ab7fa20 [0,1,0,1,0,0|2,0,0]=4 21452 B13R1.572 O=C(O)[C@H]1CCCCN1CCCF d62d753570007918abfd0b046c8e31d9 [0,1,0,1,0,0|1,0,0]=3 21453 B13R1.572 O=C(O)[C@H]1CCCCN1CCCO 4e98b48471724ff036bba45e672a3917 [0,1,0,1,0,0|1,0,0]=3 21454 B13R1.572 O=C(O)[C@H]1CCCCN1CCCS 19f599dfda8ae2fa8661b4a015e86dd4 [0,1,0,1,0,0|1,0,0]=3 21455 B13R1.572 O=C(O)[C@H]1CCCC[C@@H]1NCCF 33d112fa721849b0975f6f2d5e639b74 [0,1,0,1,0,0|1,0,0]=3 21456 B13R1.572 O=C(O)[C@H]1CCCC[C@@H]1NCCO 8a6b1f67725b0da2ab6f9b6bd1796bb9 [0,1,0,1,0,0|1,0,0]=3 21457 B13R1.572 O=C(O)[C@H]1CCCC[C@@H]1NCCS d73977c2d4bbc758413d78b7c486f8a6 [0,1,0,1,0,0|1,0,0]=3 21458 B13R1.572 O=C(O)[C@H]1COCCN1CCCF acfebdb1ad4d996117826e49a6cc8924 [0,1,0,1,0,0|2,0,0]=4 21459 B13R1.572 O=C(O)[C@H]1COCCN1CCCO ef7a5284c77aa6e4ca7582a44d4174ab [0,1,0,1,0,0|2,0,0]=4 21460 B13R1.572 O=C(O)[C@H]1COCCN1CCCS 56ab70d22bd10da32b2f8bd2d0ece38b [0,1,0,1,0,0|2,0,0]=4 21461 B13R1.572 O=C(O)[C@H]1CSCCN1CCCF 84ae8a0ae5e9f0fb075211c7373668c2 [0,1,0,1,0,0|2,0,0]=4 21462 B13R1.572 O=C(O)[C@H]1CSCCN1CCCO 9461ca7a705020e29e82fef66e7a1918 [0,1,0,1,0,0|2,0,0]=4 21463 B13R1.572 O=C(O)[C@H]1CSCCN1CCCS a4172b1ac7f760389726988847061487 [0,1,0,1,0,0|2,0,0]=4 21464 B13R1.572 O=CCCN1CCCCC1C(=O)O fb395f1810b276609c94e69f0b95da2d [0,1,0,1,0,0|1,0,1]=4 21465 B13R1.572 O=CCCN1CCCC[C@@H]1C(=O)O 1ffcc71eca0c7b3c756c59dc750bd028 [0,1,0,1,0,0|1,0,1]=4 21466 B13R1.572 O=CCCN1CCCC[C@H]1C(=O)O 7f68719de9f84546cb5b413ce9618cc4 [0,1,0,1,0,0|1,0,1]=4 21467 B13R1.572 O=CCNC1CCCCC1C(=O)O 1aef67b7384f4aa9f4cc38d98a0d2fae [0,1,0,1,0,0|1,0,1]=4 21468 B13R1.572 O=CCN[C@H]1CCCC[C@@H]1C(=O)O 544438845f0317ca5f12de2f3fe227ce [0,1,0,1,0,0|1,0,1]=4 21469 B13R1.572 O=CCN[C@H]1CCCC[C@H]1C(=O)O 259fe5ccb764fc0a242b4257c9c32875 [0,1,0,1,0,0|1,0,1]=4 21470 B13R1.572 O=CCOC1CCCCC1C(=O)O 28989480dd22c0e626444c231f2ad81e [0,1,0,1,0,0|1,0,1]=4 21471 B13R1.578 C#CCCN1CCCC1CC(=O)O defaebece3070b461f8eddc8ad48649a [0,1,0,1,0,0|0,0,2]=4 21472 B13R1.578 C#CCCN1CCC[C@@H]1CC(=O)O fcb5ddb3cd68ef5cd2fe0cd489ad2d7e [0,1,0,1,0,0|0,0,2]=4 21473 B13R1.578 C#CCCN1CCC[C@H]1CC(=O)O 43d298efeed240411bbe40435cbc9ecb [0,1,0,1,0,0|0,0,2]=4 21474 B13R1.578 C/C=C/CN1CCCC1CC(=O)O 673c717d1f7cbebe5a1044047da7eb45 [0,1,0,1,0,0|0,0,2]=4 21475 B13R1.578 C/C=C/CN1CCC[C@@H]1CC(=O)O d0356f8bf8e023fdc4c60eca7f42efb4 [0,1,0,1,0,0|0,0,2]=4 21476 B13R1.578 C/C=C/CN1CCC[C@H]1CC(=O)O 2612320806afe388fe99278e325abf92 [0,1,0,1,0,0|0,0,2]=4 21477 B13R1.578 C/C=C\CN1CCCC1CC(=O)O 30fadea76880c98b398dbc5bf0b8ebc2 [0,1,0,1,0,0|0,0,2]=4 21478 B13R1.578 C/C=C\CN1CCC[C@@H]1CC(=O)O 6a8f4eafbcaac08e23b1a31ce76aa213 [0,1,0,1,0,0|0,0,2]=4 21479 B13R1.578 C/C=C\CN1CCC[C@H]1CC(=O)O 3bfd10210f6b2e05b34502aac4b148b2 [0,1,0,1,0,0|0,0,2]=4 21480 B13R1.578 C=C(Br)CN1CCCC1CCCC 494b06f709acf1ebf4927d42292b7995 [0,1,0,1,0,0|2,0,0]=4 21481 B13R1.578 C=C(C)CN1CCCC1CCCC 78f2ce91864946febed7c2ae60d3da0d [0,1,0,1,0,0|2,0,0]=4 21482 B13R1.578 C=C(Cl)CN1CCCC1CCCC 080071211fb39ec3bacdc669ef6ea4fe [0,1,0,1,0,0|2,0,0]=4 21483 B13R1.578 C=C(F)CN1CCCC1CCCC f0de98585e02a2a9a29fc4d7f636f2a7 [0,1,0,1,0,0|2,0,0]=4 21484 B13R1.578 C=CCCN1CCCC1CC(=O)O 791dc66b90bb74a2f92379004623b221 [0,1,0,1,0,0|0,0,2]=4 21485 B13R1.578 C=CCCN1CCC[C@@H]1CC(=O)O 22713491ce5acf49d00c0973456aeba8 [0,1,0,1,0,0|0,0,2]=4 21486 B13R1.578 C=CCCN1CCC[C@H]1CC(=O)O f90873803ba483a8948790f23533c636 [0,1,0,1,0,0|0,0,2]=4 21487 B13R1.578 CCCCC1CCCC1NC(=O)C b32b6b28ac5bf3bde6691d76e88a2c42 [0,1,0,1,0,0|1,0,0]=3 21488 B13R1.578 CCCCC1CCCN1CC(=O)N 340eb673ac3c2a587d43a35298e72f49 [0,1,0,1,0,0|1,0,0]=3 21489 B13R1.578 CCCCC1CCCN1CC(=O)O 6c88ac149e87c36e2a38e6bb4e678b8a [0,1,0,1,0,0|0,0,0]=2 21490 B13R1.578 CCCCC1CCCN1CC(C)O d40615023bf406cb9ae25d40f0969a5e [0,1,0,1,0,0|1,0,1]=4 21491 B13R1.578 CCCCC1CCCN1C[C@@H](C)O 51c10d405454efb93acbe8ff37d03382 [0,1,0,1,0,0|1,0,1]=4 21492 B13R1.578 CCCCC1CCCN1C[C@H](C)O 26b1ba7877b11739c7309e8b952ffc9a [0,1,0,1,0,0|1,0,1]=4 21493 B13R1.578 CCCCC1CCCN1C[N+](=O)[O-] c11b048d62a759646c4ffd1ed799bd55 [0,1,0,1,0,0|1,0,1]=4 21494 B13R1.578 CCCCN1CCCC1CC(=O)O ab0c4deef01f0fb7afdc84e7f02da33c [0,1,0,1,0,0|0,0,0]=2 21495 B13R1.578 CCCCN1CCC[C@@H]1CC(=O)O dc1cb37fbff76df38748739b605b4cd4 [0,1,0,1,0,0|0,0,0]=2 21496 B13R1.578 CCCCN1CCC[C@H]1CC(=O)O c6eefcd251955ab05d3ba672eaeda9c2 [0,1,0,1,0,0|0,0,0]=2 21497 B13R1.578 CCCO[C@H]1CCC[C@@H]1NC(=O)C 6d807dc2b379fc56d633edcefa1b3af7 [0,1,0,1,0,0|2,0,0]=4 21498 B13R1.578 CCOCC1CCCN1CC(=O)N c31a69f325c1d5308885b6a2295dc8e6 [0,1,0,1,0,0|2,0,0]=4 21499 B13R1.578 CCOCC1CCCN1CC(=O)O 4439a2b7a05b3496cd72e8721fe96eaf [0,1,0,1,0,0|1,0,0]=3 21500 B13R1.578 CCOCN1CCCC1CC(=O)O a2eec9ddfedc5cdc6ddfd10dabc042d0 [0,1,0,1,0,0|1,0,0]=3 21501 B13R1.578 CCOCN1CCC[C@@H]1CC(=O)O 10da6fc86ce01dc78042f4e9c2124243 [0,1,0,1,0,0|1,0,0]=3 21502 B13R1.578 CCOCN1CCC[C@H]1CC(=O)O 75554271cf8d65a539c59b1ee441c0fa [0,1,0,1,0,0|1,0,0]=3 21503 B13R1.578 CCOC[C@@H]1CCCN1CC(=O)N a2fe36db40593ae213a2da05943d1d07 [0,1,0,1,0,0|2,0,0]=4 21504 B13R1.578 CCOC[C@@H]1CCCN1CC(=O)O a03300ffc4609e5677f4565fc0f181a3 [0,1,0,1,0,0|1,0,0]=3 21505 B13R1.578 COCCC1CCCN1CC(=O)N bd0bc39489a6badf2747c02dc2d01209 [0,1,0,1,0,0|2,0,0]=4 21506 B13R1.578 COCCC1CCCN1CC(=O)O a20044eab9bd2d49a8a53af3b1e9b266 [0,1,0,1,0,0|1,0,0]=3 21507 B13R1.578 COCCN1CCCC1CC(=O)O 9ba57be9d098462479b5d55b2f02094a [0,1,0,1,0,0|1,0,0]=3 21508 B13R1.578 COCCN1CCC[C@@H]1CC(=O)O a639ebc57ed539b9ae4952224574a3ce [0,1,0,1,0,0|1,0,0]=3 21509 B13R1.578 COCCN1CCC[C@H]1CC(=O)O 916789fb0d1eff0f7bff41a66cf78b16 [0,1,0,1,0,0|1,0,0]=3 21510 B13R1.578 CSCCN1CCCC1CC(=O)O 25652520f747fcf8a719883da79b0c0b [0,1,0,1,0,0|1,0,0]=3 21511 B13R1.578 CSCCN1CCC[C@@H]1CC(=O)O b1e998ec62d38eaadbe9207b6eacc987 [0,1,0,1,0,0|1,0,0]=3 21512 B13R1.578 CSCCN1CCC[C@H]1CC(=O)O 67b576185f5990069c46b4c8a35f6a3f [0,1,0,1,0,0|1,0,0]=3 21513 B13R1.578 N#CCCN1CCCC1CC(=O)O b6be21330d3c11254a9952058c63b8e8 [0,1,0,1,0,0|1,0,1]=4 21514 B13R1.578 N#CCCN1CCC[C@@H]1CC(=O)O 9b2ccb848d333f35572003f0c8f27980 [0,1,0,1,0,0|1,0,1]=4 21515 B13R1.578 N#CCCN1CCC[C@H]1CC(=O)O c180127990c6b2861b8859713986726e [0,1,0,1,0,0|1,0,1]=4 21516 B13R1.578 O=C(O)CC1CCCN1CCCF 4b8119806683a7f220bf63f4ca8e5806 [0,1,0,1,0,0|1,0,0]=3 21517 B13R1.578 O=C(O)CC1CCCN1CCCO 28ed6fa9b5b55319b9cf93b029844566 [0,1,0,1,0,0|1,0,0]=3 21518 B13R1.578 O=C(O)CC1CCCN1CCCS 26a564673dc41e7036994e68a830841d [0,1,0,1,0,0|1,0,0]=3 21519 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCF 759d1b93d621eac3227e3d7a3fcd9efc [0,1,0,1,0,0|1,0,0]=3 21520 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCO 64510545c98def5f3ec4e9477301ca86 [0,1,0,1,0,0|1,0,0]=3 21521 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCS 7c5d0ba559dc7ae924ded2e873151d1e [0,1,0,1,0,0|1,0,0]=3 21522 B13R1.578 O=C(O)C[C@H]1CCCN1CCCF 067c9b1c15d6ad0a9a07c5ed96f49433 [0,1,0,1,0,0|1,0,0]=3 21523 B13R1.578 O=C(O)C[C@H]1CCCN1CCCO 974af4510935ca770c2e5dba61dce529 [0,1,0,1,0,0|1,0,0]=3 21524 B13R1.578 O=C(O)C[C@H]1CCCN1CCCS 48b20c8682c5c94ab023eac6b49e47d1 [0,1,0,1,0,0|1,0,0]=3 21525 B13R1.578 O=CCCN1CCCC1CC(=O)O e8c8ea71fa27732de2bb72db0b4950ca [0,1,0,1,0,0|1,0,1]=4 21526 B13R1.578 O=CCCN1CCC[C@@H]1CC(=O)O 7f7f3289f4d5b2502417e1a47cf15169 [0,1,0,1,0,0|1,0,1]=4 21527 B13R1.578 O=CCCN1CCC[C@H]1CC(=O)O 7596ed3bd8ef1d5070894a11619d95df [0,1,0,1,0,0|1,0,1]=4 21528 B13R1.610 NC(=O)CN1CCCCCC1CO e42d3894cc0e8b80ff0c311ff5274acd [0,1,0,1,0,0|2,0,0]=4 21529 B13R1.610 O=C(O)CN1CCCCCC1CO 2f3c1122a53e626873e1ea329c7c13a1 [0,1,0,1,0,0|1,0,0]=3 21530 B13R1.610 O=C(O)CN1CCCOCC1CO 78f796763223c8421d300d2ff93c808d [0,1,0,1,0,0|2,0,0]=4 21531 B13R1.610 O=C(O)CN1CCCOC[C@@H]1CO df1767dbe71758a28bf4790e8a813f0a [0,1,0,1,0,0|2,0,0]=4 21532 B13R1.610 O=C(O)CN1CCCOC[C@H]1CO b325a7907957b40399b52c4f71c2ae57 [0,1,0,1,0,0|2,0,0]=4 21533 B13R1.647 CC(=O)CCCCN1CCC1CO 5656ed28695ee4710420df69e06cc07c [0,1,0,1,0,0|2,0,0]=4 21534 B13R1.647 CC(=O)CCCCN1CC[C@@H]1CO 575e0e76eb0741cdb3e763fe58820e51 [0,1,0,1,0,0|2,0,0]=4 21535 B13R1.647 CC(=O)CCCCN1CC[C@H]1CO 33537a5360fce51d98c25b370c47931f [0,1,0,1,0,0|2,0,0]=4 21536 B13R1.647 CCC1CCN1CCCCC(=O)C 921cdcd238dcb50a08f07c61fafbbc25 [0,1,0,1,0,0|1,0,0]=3 21537 B13R1.647 CCC1CCN1CCCCC(=O)N 90731c48998e546392f4eea529a8a591 [0,1,0,1,0,0|1,0,0]=3 21538 B13R1.647 CCC1CCN1CCCCC(=O)O f972cd33665993d437e62e4a8a73ca65 [0,1,0,1,0,0|0,0,0]=2 21539 B13R1.647 CCC1CCN1CCCCC(C)O aaadcab0b4f22869bf05c2fea4bea65f [0,1,0,1,0,0|1,0,1]=4 21540 B13R1.647 CCC1CCN1CCCC[C@@H](C)O 4793def507d5d69f366deda033a19e40 [0,1,0,1,0,0|1,0,1]=4 21541 B13R1.647 CCC1CCN1CCCNC(=O)C 7a336d62a95db4a0cf78cf28b5249dfa [0,1,0,1,0,0|2,0,0]=4 21542 B13R1.647 CCC1CCN1CCCOC(=O)C 2441e1e99435c0c9ae6681fc5616df80 [0,1,0,1,0,0|2,0,0]=4 21543 B13R1.647 CCC1CCN1CCCSC(=O)C 15c5f1aa9aeebdc3ce79b638baa1f422 [0,1,0,1,0,0|2,0,0]=4 21544 B13R1.647 CCC1CCN1CCOCC(=O)N 76be6d9ef32c143e345a58b94be1fdf8 [0,1,0,1,0,0|2,0,0]=4 21545 B13R1.647 CCC1CCN1CCOCC(=O)O 12d529bfadd4dad478721cd0ccf658c5 [0,1,0,1,0,0|1,0,0]=3 21546 B13R1.647 COC1CCC1COCCC(=O)C ebd51c811226043ecc732059b0a01874 [0,1,0,1,0,0|2,0,0]=4 21547 B13R1.647 COC1CCC1COCCC(=O)N a84ae71a137e9cca32e1bf54b69d0caa [0,1,0,1,0,0|2,0,0]=4 21548 B13R1.647 COC1CCC1COCCC(=O)O 06b406efdffdfaef5a7148c1cce3d910 [0,1,0,1,0,0|1,0,0]=3 21549 B13R1.647 COC1CCC1NCCCC(=O)C a6f934e56dfb859b22fd92dd96f381bc [0,1,0,1,0,0|2,0,0]=4 21550 B13R1.647 COC1CCC1NCCCC(=O)N 80dd596fdca147c9ea2b6fa3b90e62a2 [0,1,0,1,0,0|2,0,0]=4 21551 B13R1.647 COC1CCC1NCCCC(=O)O 3af92fafed09c9f00195be521788ef9a [0,1,0,1,0,0|1,0,0]=3 21552 B13R1.647 CO[C@@H]1CC[C@@H]1COCCC(=O)C 3d39f8a741d3c39a6b7b19906c511ebe [0,1,0,1,0,0|2,0,0]=4 21553 B13R1.647 CO[C@@H]1CC[C@@H]1COCCC(=O)N 633b67ada01bb0ceb6a91a8c4e8bf3f4 [0,1,0,1,0,0|2,0,0]=4 21554 B13R1.647 CO[C@@H]1CC[C@@H]1COCCC(=O)O a75f8f4adc271fde59bdc30ef961dffb [0,1,0,1,0,0|1,0,0]=3 21555 B13R1.647 CO[C@@H]1CC[C@@H]1NCCCC(=O)C d8633e530795bdd2008d1296b1ce9743 [0,1,0,1,0,0|2,0,0]=4 21556 B13R1.647 CO[C@@H]1CC[C@@H]1NCCCC(=O)N 4c1355c0d03e10be7e967d2758c12ba6 [0,1,0,1,0,0|2,0,0]=4 21557 B13R1.647 CO[C@@H]1CC[C@@H]1NCCCC(=O)O 6a4a98e8e693bb4a2f70645cad3feb6d [0,1,0,1,0,0|1,0,0]=3 21558 B13R1.647 CO[C@@H]1CC[C@H]1COCCC(=O)C cd8e4fe101268a2a89ec8cc77e62c8a1 [0,1,0,1,0,0|2,0,0]=4 21559 B13R1.647 CO[C@@H]1CC[C@H]1COCCC(=O)N b28de00e74f24a619ded4217cbb88f61 [0,1,0,1,0,0|2,0,0]=4 21560 B13R1.647 CO[C@@H]1CC[C@H]1COCCC(=O)O 7fc893848431d82857f86d6c74c37c9f [0,1,0,1,0,0|1,0,0]=3 21561 B13R1.647 CO[C@@H]1CC[C@H]1NCCCC(=O)C b51a6ed3504c8247e26359adc30f5874 [0,1,0,1,0,0|2,0,0]=4 21562 B13R1.647 CO[C@@H]1CC[C@H]1NCCCC(=O)N bd706f9be651de5324791a93479484af [0,1,0,1,0,0|2,0,0]=4 21563 B13R1.647 CO[C@@H]1CC[C@H]1NCCCC(=O)O 3a0331fbfab001612d50b0f1b6af293b [0,1,0,1,0,0|1,0,0]=3 21564 B13R1.647 CO[C@H]1CC[C@@H]1NCCCC(=O)C 06539d100ddf998d1c48819c8de8732c [0,1,0,1,0,0|2,0,0]=4 21565 B13R1.647 CO[C@H]1CC[C@@H]1NCCCC(=O)N 60403daef53e2dd3abb527eb8753d1bf [0,1,0,1,0,0|2,0,0]=4 21566 B13R1.647 CO[C@H]1CC[C@@H]1NCCCC(=O)O d47720c02fe0a5efb4dce55493b6be7b [0,1,0,1,0,0|1,0,0]=3 21567 B13R1.647 CO[C@H]1CC[C@H]1NCCCC(=O)C 02f1ffdf430d89271ab1dacd16d5d6f9 [0,1,0,1,0,0|2,0,0]=4 21568 B13R1.647 CO[C@H]1CC[C@H]1NCCCC(=O)N d9a203009b1bae0a7d0990e7fc4c9414 [0,1,0,1,0,0|2,0,0]=4 21569 B13R1.647 CO[C@H]1CC[C@H]1NCCCC(=O)O 74d74df2e2c8a497625371116dd8b789 [0,1,0,1,0,0|1,0,0]=3 21570 B13R1.647 NC(=O)CCCCN1CCC1CO e016c508ef1507ca8fd4391dd3ec7726 [0,1,0,1,0,0|2,0,0]=4 21571 B13R1.647 NC(=O)CCCCN1CC[C@@H]1CO f37247e173b7bf2e48bc84b484cab8d2 [0,1,0,1,0,0|2,0,0]=4 21572 B13R1.647 NC(=O)CCCCN1CC[C@H]1CO 6b34344d303859b1afe54bcf30f41c30 [0,1,0,1,0,0|2,0,0]=4 21573 B13R1.647 O=C(O)COCCN1CCC1CO 34e119335de44e9c275c41df83d1fcec [0,1,0,1,0,0|2,0,0]=4 21574 B13R1.647 O=C(O)COCCN1CC[C@@H]1CO e226d1050898c952687941513cf342dc [0,1,0,1,0,0|2,0,0]=4 21575 B13R1.647 O=C(O)COCCN1CC[C@H]1CO df098a93c39998f0a071521e793e5460 [0,1,0,1,0,0|2,0,0]=4 21576 B13R1.668 CCCCNC1CCCCC1(C)O 73a849f49f8338657e196df5330c24ba [0,1,0,1,0,0|1,0,1]=4 21577 B13R1.670 C#CCCCN1CCCC1C(=O)O f3544284b022be75f2695f7f2f0f8c59 [0,1,0,1,0,0|0,0,2]=4 21578 B13R1.670 C#CCCCN1CCC[C@@H]1C(=O)O 245264f52a80a38be7ac85d2328dcf75 [0,1,0,1,0,0|0,0,2]=4 21579 B13R1.670 C#CCCCN1CCC[C@H]1C(=O)O 3d82cd35f015e062f47dce3a41e8c525 [0,1,0,1,0,0|0,0,2]=4 21580 B13R1.670 C#CCCN[C@@H]1CCC[C@@H]1C(=O)O 732a3f9e77559ef29ad9b446c337667f [0,1,0,1,0,0|0,0,2]=4 21581 B13R1.670 C#CCCN[C@H]1CCC[C@@H]1C(=O)O 672975440226546caf7b4a1fcd7c3384 [0,1,0,1,0,0|0,0,2]=4 21582 B13R1.670 C#CCCN[C@H]1CCC[C@H]1C(=O)O b3a17fe6b1b19074895170f5158d62f3 [0,1,0,1,0,0|0,0,2]=4 21583 B13R1.670 C#CCCOC1CCCC1C(=O)O fb2c27b042334ffef34d512a9fca2cb6 [0,1,0,1,0,0|0,0,2]=4 21584 B13R1.670 C#CCCO[C@@H]1CCC[C@@H]1C(=O)O 1c6141dd8a96bd2c6b6cff76109a6e09 [0,1,0,1,0,0|0,0,2]=4 21585 B13R1.670 C#CCCO[C@@H]1CCC[C@H]1C(=O)O d2954d817d8e78a67bbc6c28f0810f0d [0,1,0,1,0,0|0,0,2]=4 21586 B13R1.670 C#CCCO[C@H]1CCC[C@H]1C(=O)O 70150366f2b27bee405fedb6a411fadf [0,1,0,1,0,0|0,0,2]=4 21587 B13R1.670 C/C=C/CN[C@@H]1CCC[C@@H]1C(=O)O d1ec12c0540f3dffafd2ca8bfdd88b7e [0,1,0,1,0,0|0,0,2]=4 21588 B13R1.670 C/C=C/CN[C@H]1CCC[C@@H]1C(=O)O f6f8002efea7fc3c56042e447b4e66c0 [0,1,0,1,0,0|0,0,2]=4 21589 B13R1.670 C/C=C/CN[C@H]1CCC[C@H]1C(=O)O faf1f886cd9caf0d9939a483b4f5a2c1 [0,1,0,1,0,0|0,0,2]=4 21590 B13R1.670 C/C=C/COC1CCCC1C(=O)O 2bc87832abbb1eba5a2efc685213868c [0,1,0,1,0,0|0,0,2]=4 21591 B13R1.670 C/C=C/CO[C@@H]1CCC[C@@H]1C(=O)O aab63b414bcca92d187bb1cc4428403d [0,1,0,1,0,0|0,0,2]=4 21592 B13R1.670 C/C=C/CO[C@@H]1CCC[C@H]1C(=O)O 52970fa73799d3e7de54c7538cc28788 [0,1,0,1,0,0|0,0,2]=4 21593 B13R1.670 C/C=C/CO[C@H]1CCC[C@H]1C(=O)O 4d6dde36025e94054372dfc90c65257e [0,1,0,1,0,0|0,0,2]=4 21594 B13R1.670 C/C=C\CN[C@@H]1CCC[C@@H]1C(=O)O eb41345ef70bc24e9eac1deaeb0af98f [0,1,0,1,0,0|0,0,2]=4 21595 B13R1.670 C/C=C\CN[C@H]1CCC[C@@H]1C(=O)O a677545d08980b86c73c6f98c560dc7e [0,1,0,1,0,0|0,0,2]=4 21596 B13R1.670 C/C=C\CN[C@H]1CCC[C@H]1C(=O)O 98d6fbc3a3903193bf5528c683671b72 [0,1,0,1,0,0|0,0,2]=4 21597 B13R1.670 C/C=C\COC1CCCC1C(=O)O ea3d4892e6ad676b3608e4792673a879 [0,1,0,1,0,0|0,0,2]=4 21598 B13R1.670 C/C=C\CO[C@@H]1CCC[C@@H]1C(=O)O e516a25b149db8b63668c573a3fc5a71 [0,1,0,1,0,0|0,0,2]=4 21599 B13R1.670 C/C=C\CO[C@@H]1CCC[C@H]1C(=O)O 36740240d5cf0473b9e8457b4170ca29 [0,1,0,1,0,0|0,0,2]=4 21600 B13R1.670 C/C=C\CO[C@H]1CCC[C@H]1C(=O)O e0f2b239c28a9a207cfc596107669849 [0,1,0,1,0,0|0,0,2]=4 21601 B13R1.670 C=CCCCN1CCCC1C(=O)O 0be8284ee4d9dc703fc8efe421fde7d0 [0,1,0,1,0,0|0,0,2]=4 21602 B13R1.670 C=CCCCN1CCC[C@@H]1C(=O)O 96458aa87435e53c0b891b007924a1a8 [0,1,0,1,0,0|0,0,2]=4 21603 B13R1.670 C=CCCCN1CCC[C@H]1C(=O)O 7a6c8d4fad00562484351e029e7000e6 [0,1,0,1,0,0|0,0,2]=4 21604 B13R1.670 C=CCCN[C@@H]1CCC[C@@H]1C(=O)O 36cfec016140b2714888cddd69f717b9 [0,1,0,1,0,0|0,0,2]=4 21605 B13R1.670 C=CCCN[C@H]1CCC[C@@H]1C(=O)O 2866ad66e81e70cf24e437e484831841 [0,1,0,1,0,0|0,0,2]=4 21606 B13R1.670 C=CCCN[C@H]1CCC[C@H]1C(=O)O ff73800e74a70979ec31b22ade8f1c43 [0,1,0,1,0,0|0,0,2]=4 21607 B13R1.670 C=CCCOC1CCCC1C(=O)O bc802fc20343fe72ac0fa1f911e8e935 [0,1,0,1,0,0|0,0,2]=4 21608 B13R1.670 C=CCCO[C@@H]1CCC[C@@H]1C(=O)O f22dfebb6102f54b9ff4950069f7c3fb [0,1,0,1,0,0|0,0,2]=4 21609 B13R1.670 C=CCCO[C@@H]1CCC[C@H]1C(=O)O 509faf879ebbe3b90150dc5d9cfb4d37 [0,1,0,1,0,0|0,0,2]=4 21610 B13R1.670 C=CCCO[C@H]1CCC[C@H]1C(=O)O a76e76a05cc9bc00cfc282e87da6fb4f [0,1,0,1,0,0|0,0,2]=4 21611 B13R1.670 CC/C=C/CN1CCCC1C(=O)O 3e17325b167ea8c0f8d347b71779333b [0,1,0,1,0,0|0,0,2]=4 21612 B13R1.670 CC/C=C/CN1CCC[C@@H]1C(=O)O 7917c4a5cdac8106d357310815fe92d0 [0,1,0,1,0,0|0,0,2]=4 21613 B13R1.670 CC/C=C/CN1CCC[C@H]1C(=O)O a93c2d767adcb55a81e5a47868a4f8b3 [0,1,0,1,0,0|0,0,2]=4 21614 B13R1.670 CCC#CCN1CCCC1C(=O)O 4b905386f0f684743ca4802384bd0e8c [0,1,0,1,0,0|0,0,2]=4 21615 B13R1.670 CCC#CCN1CCC[C@@H]1C(=O)O fa6ec5c5bc1cffbe88a4f93165aeed54 [0,1,0,1,0,0|0,0,2]=4 21616 B13R1.670 CCC#CCN1CCC[C@H]1C(=O)O 033ce772cb1915fac798aab530e0a516 [0,1,0,1,0,0|0,0,2]=4 21617 B13R1.670 CCCCCN1CC=CC1C(=O)O 51d7a2db0bc82102cd8e65b58ac8d951 [0,1,0,1,0,0|0,0,2]=4 21618 B13R1.670 CCCCCN1CC=C[C@H]1C(=O)O 8aa18994ea6144ddb60763b1e720cd40 [0,1,0,1,0,0|0,0,2]=4 21619 B13R1.670 CCCCCN1CCCC1C(=O)N 4c1d80fcc2bc1ae4e8b0eed767db3d57 [0,1,0,1,0,0|1,0,0]=3 21620 B13R1.670 CCCCCN1CCCC1C(=O)O 7501bb5f170e75df87f34da9c060f3cf [0,1,0,1,0,0|0,0,0]=2 21621 B13R1.670 CCCCCN1CCCC1C(C)O 5ecd18674d92dade2a6d0bab0e052997 [0,1,0,1,0,0|1,0,1]=4 21622 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)N 8945424fbbcf1ea000e2a585db539865 [0,1,0,1,0,0|1,0,0]=3 21623 B13R1.670 CCCCCN1CCC[C@@H]1C(=O)O 696eb4646a5aedeb4c01baee88c3a84d [0,1,0,1,0,0|0,0,0]=2 21624 B13R1.670 CCCCCN1CCC[C@@H]1C(C)O d26f1dcc6bf27fba2e1be1658941a630 [0,1,0,1,0,0|1,0,1]=4 21625 B13R1.670 CCCCCN1CCC[C@H]1C(=O)N 19d29d713b82186d588fec7ea13c626a [0,1,0,1,0,0|1,0,0]=3 21626 B13R1.670 CCCCCN1CCC[C@H]1C(=O)O 53f578dd29c93526b25a57c0a032c757 [0,1,0,1,0,0|0,0,0]=2 21627 B13R1.670 CCCCCN1CCC[C@H]1[C@H](C)O 1d75cbc09b70dda4f3e89d234e5380e2 [0,1,0,1,0,0|1,0,1]=4 21628 B13R1.670 CCCCCN1CCSC1C(=O)O 1892dbe0c142828644b5c6df1a7e54c8 [0,1,0,1,0,0|1,0,0]=3 21629 B13R1.670 CCCCCN1CSCC1C(=O)O ff1adcf654ee18b70e2042e891e72dd4 [0,1,0,1,0,0|1,0,0]=3 21630 B13R1.670 CCCCCN1CSC[C@@H]1C(=O)O e19a999c19dbc0a82d34cf4df514b481 [0,1,0,1,0,0|1,0,0]=3 21631 B13R1.670 CCCCCN1CSC[C@H]1C(=O)O a863b6f632d56ec36c1ea56472ce83c8 [0,1,0,1,0,0|1,0,0]=3 21632 B13R1.670 CCCCNC1C=CCC1C(=O)O 747c97d7e780daf95b8c05cf628e2d8d [0,1,0,1,0,0|0,0,2]=4 21633 B13R1.670 CCCCNC1COCC1C(=O)N 8316b9f1b43badf2c12fbca80578c5ef [0,1,0,1,0,0|2,0,0]=4 21634 B13R1.670 CCCCN[C@@H]1CCC[C@@H]1C(=O)O 1ae0b8569cf9a9add47ec52e1dbee0a7 [0,1,0,1,0,0|0,0,0]=2 21635 B13R1.670 CCCCN[C@@H]1COC[C@@H]1C(=O)N 78f75eba2ef74074f69e67dffba9197b [0,1,0,1,0,0|2,0,0]=4 21636 B13R1.670 CCCCN[C@@H]1COC[C@@H]1C(=O)O 3255e80edc7a3c950fdadc4a1ca928eb [0,1,0,1,0,0|1,0,0]=3 21637 B13R1.670 CCCCN[C@@H]1COC[C@H]1C(=O)N 8521a8e345172f05ca43bec89794943e [0,1,0,1,0,0|2,0,0]=4 21638 B13R1.670 CCCCN[C@@H]1COC[C@H]1C(=O)O 0d9faa4188b80634e9484ed3db8ba489 [0,1,0,1,0,0|1,0,0]=3 21639 B13R1.670 CCCCN[C@H]1CCC[C@@H]1C(=O)O 83dabc2287cbf509873a8a4f6782598b [0,1,0,1,0,0|0,0,0]=2 21640 B13R1.670 CCCCN[C@H]1CCC[C@H]1C(=O)O 99a7cd8afcbeec1cb6c4bac2d0533f8d [0,1,0,1,0,0|0,0,0]=2 21641 B13R1.670 CCCCN[C@H]1COC[C@@H]1C(=O)N 0c2bf376b0eedb9656f2c35de170ea63 [0,1,0,1,0,0|2,0,0]=4 21642 B13R1.670 CCCCN[C@H]1COC[C@@H]1C(=O)O f59744b57ba6e39cd54dd66dd8868894 [0,1,0,1,0,0|1,0,0]=3 21643 B13R1.670 CCCCN[C@H]1COC[C@H]1C(=O)N 18aaffba69daebf8fbf27e5b1247ae50 [0,1,0,1,0,0|2,0,0]=4 21644 B13R1.670 CCCCN[C@H]1COC[C@H]1C(=O)O 931df33e8341fb0aeb68c4f1fc52d721 [0,1,0,1,0,0|1,0,0]=3 21645 B13R1.670 CCCCOC1CCCC1C(=O)N 9d1ab36377ddb74fbc11f7aadfe76150 [0,1,0,1,0,0|1,0,0]=3 21646 B13R1.670 CCCCOC1CCCC1C(=O)O d9c4e0f12fb20cd1c7a8309ac1081e86 [0,1,0,1,0,0|0,0,0]=2 21647 B13R1.670 CCCCO[C@@H]1CCC[C@@H]1C(=O)O 276bdcfe96692f65c82bb54a5125e7b6 [0,1,0,1,0,0|0,0,0]=2 21648 B13R1.670 CCCCO[C@@H]1CCC[C@H]1C(=O)O 71b7999169ca81625689d875852522a9 [0,1,0,1,0,0|0,0,0]=2 21649 B13R1.670 CCCCO[C@H]1CCC[C@H]1C(=O)O 3de144c897b72cb1030f8177c0317506 [0,1,0,1,0,0|0,0,0]=2 21650 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)C e6ac22330499f1f0b7876ebd109e5c86 [0,1,0,1,0,0|2,0,0]=4 21651 B13R1.670 CCCOC[C@@H]1CCCN1C(=O)N 072671f720698ee6165200f9c89b28c0 [0,1,0,1,0,0|2,0,0]=4 21652 B13R1.670 CCCOC[C@H]1CCCN1C(=O)C f53a8df04cbe9964b137a0ed2eb60e77 [0,1,0,1,0,0|2,0,0]=4 21653 B13R1.670 CCOCCN1CCCC1C(=O)N f3da933e0cff5b1ad86547acbbd25429 [0,1,0,1,0,0|2,0,0]=4 21654 B13R1.670 CCOCCN1CCCC1C(=O)O b7c58f95a9c4afc0d39ced455f59915e [0,1,0,1,0,0|1,0,0]=3 21655 B13R1.670 CCOCCN1CCC[C@@H]1C(=O)N ed3363337f53dbcaa7a028ab4a6aeaf2 [0,1,0,1,0,0|2,0,0]=4 21656 B13R1.670 CCOCCN1CCC[C@@H]1C(=O)O e6e4ce6e08dcefa0174c2bf18452aeb2 [0,1,0,1,0,0|1,0,0]=3 21657 B13R1.670 CCOCCN1CCC[C@H]1C(=O)N 8a499ba2d2072b2ac2777447bb8fe877 [0,1,0,1,0,0|2,0,0]=4 21658 B13R1.670 CCOCCN1CCC[C@H]1C(=O)O 0cc97120557161a1723d208084bb5f88 [0,1,0,1,0,0|1,0,0]=3 21659 B13R1.670 CCOCCN1CCSC1C(=O)O 76e0b346cd33abd5d0b149ad3a03373f [0,1,0,1,0,0|2,0,0]=4 21660 B13R1.670 CCOCCN1CSCC1C(=O)O f63e40040fc7978aeefbb4101a83b704 [0,1,0,1,0,0|2,0,0]=4 21661 B13R1.670 CCOCCN1CSC[C@@H]1C(=O)O 02c1b4cb5330e0b87f724f7d971da574 [0,1,0,1,0,0|2,0,0]=4 21662 B13R1.670 CCOCCN1CSC[C@H]1C(=O)O 4e7aa23142c3b38f7988ba67dbb67585 [0,1,0,1,0,0|2,0,0]=4 21663 B13R1.670 CCOCN[C@@H]1CCC[C@@H]1C(=O)O 4ad49ffd5502f80a43398aa73eb556d4 [0,1,0,1,0,0|1,0,0]=3 21664 B13R1.670 CCOCN[C@@H]1COC[C@@H]1C(=O)O 2054b9b6030247c39d2488fbf075d784 [0,1,0,1,0,0|2,0,0]=4 21665 B13R1.670 CCOCN[C@@H]1COC[C@H]1C(=O)O f31f62ab8cf32cb1bef30f871f642866 [0,1,0,1,0,0|2,0,0]=4 21666 B13R1.670 CCOCN[C@H]1CCC[C@@H]1C(=O)O 0e0cb649906474a36cfab8dd6df91d97 [0,1,0,1,0,0|1,0,0]=3 21667 B13R1.670 CCOCN[C@H]1CCC[C@H]1C(=O)O d209aafd6d9aa432a28e87fca8cb2879 [0,1,0,1,0,0|1,0,0]=3 21668 B13R1.670 CCOCN[C@H]1COC[C@@H]1C(=O)O e9f061c8a634109ef1075a0be477a99c [0,1,0,1,0,0|2,0,0]=4 21669 B13R1.670 CCOCN[C@H]1COC[C@H]1C(=O)O 45529cb2c924ef71a491da7c0dd4892c [0,1,0,1,0,0|2,0,0]=4 21670 B13R1.670 CCSCCN1CCCC1C(=O)N 539e1dd118db6fb32aaa5df8853f8a5e [0,1,0,1,0,0|2,0,0]=4 21671 B13R1.670 CCSCCN1CCCC1C(=O)O 1444992db6ba14b5744d9a3bdf50da48 [0,1,0,1,0,0|1,0,0]=3 21672 B13R1.670 CCSCCN1CCC[C@@H]1C(=O)N 63c43ee4c32d76ea359936e6fee9fa23 [0,1,0,1,0,0|2,0,0]=4 21673 B13R1.670 CCSCCN1CCC[C@@H]1C(=O)O 19933372e4fc45c4f714edc36664e30c [0,1,0,1,0,0|1,0,0]=3 21674 B13R1.670 CCSCCN1CCC[C@H]1C(=O)N a7d1a8eb68fe2721d8897fa7a7f46840 [0,1,0,1,0,0|2,0,0]=4 21675 B13R1.670 CCSCCN1CCC[C@H]1C(=O)O 97f65a9707a109c28e54010f5f930984 [0,1,0,1,0,0|1,0,0]=3 21676 B13R1.670 CCSCCN1CCSC1C(=O)O 524ef8bdcc2b9acbbb65b409a75e574a [0,1,0,1,0,0|2,0,0]=4 21677 B13R1.670 CCSCCN1CSCC1C(=O)O b383fe82181ce5021497933d63c7b651 [0,1,0,1,0,0|2,0,0]=4 21678 B13R1.670 CCSCCN1CSC[C@@H]1C(=O)O db50adc9963eaec6e6027bb027412706 [0,1,0,1,0,0|2,0,0]=4 21679 B13R1.670 CCSCCN1CSC[C@H]1C(=O)O 2dcfc3d6a840e6119a7a36528f58ab2d [0,1,0,1,0,0|2,0,0]=4 21680 B13R1.670 COCCCN1CCCC1C(=O)N 4f072097764872228418cc08bf4fa25f [0,1,0,1,0,0|2,0,0]=4 21681 B13R1.670 COCCCN1CCCC1C(=O)O 068888f0795957ed4ce0fedc8694f2ed [0,1,0,1,0,0|1,0,0]=3 21682 B13R1.670 COCCCN1CCC[C@@H]1C(=O)N c3913033e8a144dd254d79d9f59e8ad7 [0,1,0,1,0,0|2,0,0]=4 21683 B13R1.670 COCCCN1CCC[C@@H]1C(=O)O 9b1650823e78a109658b7a35ef0879be [0,1,0,1,0,0|1,0,0]=3 21684 B13R1.670 COCCCN1CCC[C@H]1C(=O)N e287e6bd12b926e377324aaa06713eba [0,1,0,1,0,0|2,0,0]=4 21685 B13R1.670 COCCCN1CCC[C@H]1C(=O)O a1b74368eecb4eff05a43ee2a216a97e [0,1,0,1,0,0|1,0,0]=3 21686 B13R1.670 COCCCN1CCSC1C(=O)O 7debd4c783e100eb835d835e1f7d2d07 [0,1,0,1,0,0|2,0,0]=4 21687 B13R1.670 COCCCN1CSCC1C(=O)O 29607c8860726a10ff4dcad68f539303 [0,1,0,1,0,0|2,0,0]=4 21688 B13R1.670 COCCCN1CSC[C@@H]1C(=O)O 88f649c85ec50b45750bd1c1f350fc3f [0,1,0,1,0,0|2,0,0]=4 21689 B13R1.670 COCCCN1CSC[C@H]1C(=O)O 10a33e2e5f78358b2ec2cbdbb33d1a17 [0,1,0,1,0,0|2,0,0]=4 21690 B13R1.670 COCCN[C@@H]1CCC[C@@H]1C(=O)O 83eb9a89b61e7f8332518e0c6c8f638d [0,1,0,1,0,0|1,0,0]=3 21691 B13R1.670 COCCN[C@@H]1COC[C@@H]1C(=O)O 20357eae69c0af5be9824badc72af92b [0,1,0,1,0,0|2,0,0]=4 21692 B13R1.670 COCCN[C@@H]1COC[C@H]1C(=O)O 2d4c8c556cb8dc3188a200147ebad905 [0,1,0,1,0,0|2,0,0]=4 21693 B13R1.670 COCCN[C@H]1CCC[C@@H]1C(=O)O 1d30d2ee7b5b829f9870b372e3a3233a [0,1,0,1,0,0|1,0,0]=3 21694 B13R1.670 COCCN[C@H]1CCC[C@H]1C(=O)O 1ae80a170d74277cae3af4dabb10c1bf [0,1,0,1,0,0|1,0,0]=3 21695 B13R1.670 COCCN[C@H]1COC[C@@H]1C(=O)O 4d6feba9e01a082b2b08a14e72c7cd11 [0,1,0,1,0,0|2,0,0]=4 21696 B13R1.670 COCCN[C@H]1COC[C@H]1C(=O)O 4aa216990a1e8e11d2fd571fe0ce0d12 [0,1,0,1,0,0|2,0,0]=4 21697 B13R1.670 COCCOC1CCCC1C(=O)N 8cbe68b85cf5edb616242a45f62034ad [0,1,0,1,0,0|2,0,0]=4 21698 B13R1.670 COCCOC1CCCC1C(=O)O dad698577ebf5ab196e5f801c3aaf612 [0,1,0,1,0,0|1,0,0]=3 21699 B13R1.670 COCCO[C@@H]1CCC[C@@H]1C(=O)O fe391dab1059dc0e27258f666f3c156c [0,1,0,1,0,0|1,0,0]=3 21700 B13R1.670 COCCO[C@@H]1CCC[C@H]1C(=O)O 55041f4771877fd706a8b54001c4cf67 [0,1,0,1,0,0|1,0,0]=3 21701 B13R1.670 COCCO[C@H]1CCC[C@H]1C(=O)O eb1d7fbe775fa01f4814df89e954c8c3 [0,1,0,1,0,0|1,0,0]=3 21702 B13R1.670 CSCCCN1CCCC1C(=O)N 7057b6a8538d250fe6318c303946a23c [0,1,0,1,0,0|2,0,0]=4 21703 B13R1.670 CSCCCN1CCCC1C(=O)O 2f695e044d293a0f2aa59fb8c7c034cc [0,1,0,1,0,0|1,0,0]=3 21704 B13R1.670 CSCCCN1CCC[C@@H]1C(=O)N 74686c794c6c42bf7225448e51a80309 [0,1,0,1,0,0|2,0,0]=4 21705 B13R1.670 CSCCCN1CCC[C@@H]1C(=O)O c39dc6088709ef25d291cc16f745d40f [0,1,0,1,0,0|1,0,0]=3 21706 B13R1.670 CSCCCN1CCC[C@H]1C(=O)N 031636e811d437520a7b7b2a7e4f333c [0,1,0,1,0,0|2,0,0]=4 21707 B13R1.670 CSCCCN1CCC[C@H]1C(=O)O ed0748928168e42c7169ab77ab30f38a [0,1,0,1,0,0|1,0,0]=3 21708 B13R1.670 CSCCCN1CCSC1C(=O)O fb838668cd88d3c4d5b25a767fa8ba33 [0,1,0,1,0,0|2,0,0]=4 21709 B13R1.670 CSCCCN1CSCC1C(=O)O a87491f1baf9b5b08f4149383643a17a [0,1,0,1,0,0|2,0,0]=4 21710 B13R1.670 CSCCCN1CSC[C@@H]1C(=O)O 7e620b5304e88736370d695066637642 [0,1,0,1,0,0|2,0,0]=4 21711 B13R1.670 CSCCCN1CSC[C@H]1C(=O)O 6f3a63c2052ddf8eb4d8be342c6b5c63 [0,1,0,1,0,0|2,0,0]=4 21712 B13R1.670 CSCCN[C@@H]1CCC[C@@H]1C(=O)O 7b27132736330b0823e9b3177dd46290 [0,1,0,1,0,0|1,0,0]=3 21713 B13R1.670 CSCCN[C@@H]1COC[C@@H]1C(=O)O aa9bdcd1f8982ad22e1d61af91fedf28 [0,1,0,1,0,0|2,0,0]=4 21714 B13R1.670 CSCCN[C@@H]1COC[C@H]1C(=O)O 0b11750aa7c1efd8057642a0eecf0ee6 [0,1,0,1,0,0|2,0,0]=4 21715 B13R1.670 CSCCN[C@H]1CCC[C@@H]1C(=O)O 49564c3a82e41b002bfb207685a34203 [0,1,0,1,0,0|1,0,0]=3 21716 B13R1.670 CSCCN[C@H]1CCC[C@H]1C(=O)O 8a67ce4dca426d0ac4c01bddfe5c3fe5 [0,1,0,1,0,0|1,0,0]=3 21717 B13R1.670 CSCCN[C@H]1COC[C@@H]1C(=O)O 7dc01fca1aa4685dd872f5a16fb00f8f [0,1,0,1,0,0|2,0,0]=4 21718 B13R1.670 CSCCN[C@H]1COC[C@H]1C(=O)O 3a81c0ed1cb9104f49b94e5acc7ffc17 [0,1,0,1,0,0|2,0,0]=4 21719 B13R1.670 CSCCOC1CCCC1C(=O)N 6b0d117cc14be960ed0e99edc4e02765 [0,1,0,1,0,0|2,0,0]=4 21720 B13R1.670 CSCCOC1CCCC1C(=O)O b82c21b2ff8929e98e51db6493d17ce6 [0,1,0,1,0,0|1,0,0]=3 21721 B13R1.670 CSCCO[C@@H]1CCC[C@@H]1C(=O)O 8ab6db6d3bbb33648aaf4edf78e6e2d0 [0,1,0,1,0,0|1,0,0]=3 21722 B13R1.670 CSCCO[C@@H]1CCC[C@H]1C(=O)O 69b5a0b06efd00268ec1ba0a939b0685 [0,1,0,1,0,0|1,0,0]=3 21723 B13R1.670 CSCCO[C@H]1CCC[C@H]1C(=O)O 1c2c9ffa513eaf7f11501d7eba65451a [0,1,0,1,0,0|1,0,0]=3 21724 B13R1.670 N#CCCCN1CCCC1C(=O)O 0cda4ba82a8263670e4be9f0c8c83703 [0,1,0,1,0,0|1,0,1]=4 21725 B13R1.670 N#CCCCN1CCC[C@@H]1C(=O)O 98bf17063218ec03c89693d2c6216e18 [0,1,0,1,0,0|1,0,1]=4 21726 B13R1.670 N#CCCCN1CCC[C@H]1C(=O)O 0cc215f399e540bee00cbd91c8b5b792 [0,1,0,1,0,0|1,0,1]=4 21727 B13R1.670 N#CCCN[C@@H]1CCC[C@@H]1C(=O)O 0859dc8a4c777c2ea278284f6e154f1d [0,1,0,1,0,0|1,0,1]=4 21728 B13R1.670 N#CCCN[C@H]1CCC[C@@H]1C(=O)O 2addb13e07ce6c338d79fd5e4cf5c26a [0,1,0,1,0,0|1,0,1]=4 21729 B13R1.670 N#CCCN[C@H]1CCC[C@H]1C(=O)O 2eb48b1fc9952661df1c3619c4949339 [0,1,0,1,0,0|1,0,1]=4 21730 B13R1.670 N#CCCOC1CCCC1C(=O)O 9a5f1f9572b8a3cdc38087b7378f13c8 [0,1,0,1,0,0|1,0,1]=4 21731 B13R1.670 N#CCCO[C@@H]1CCC[C@@H]1C(=O)O ccdbdf741159f4a38765901de4ed2577 [0,1,0,1,0,0|1,0,1]=4 21732 B13R1.670 N#CCCO[C@@H]1CCC[C@H]1C(=O)O ee5fa154d5e8c4bdfc1613db41706273 [0,1,0,1,0,0|1,0,1]=4 21733 B13R1.670 N#CCCO[C@H]1CCC[C@H]1C(=O)O bdfeeed2c94a1e1bf43306572d0b552b [0,1,0,1,0,0|1,0,1]=4 21734 B13R1.670 NC(=O)C1CCCC1OCCCF 0e8cd5374a04ab4c9e696e364263685b [0,1,0,1,0,0|2,0,0]=4 21735 B13R1.670 NC(=O)C1CCCC1OCCCS 59ea42732c2bd1e98758c55e5be59319 [0,1,0,1,0,0|2,0,0]=4 21736 B13R1.670 NC(=O)C1CCCN1CCCCF 18d5f28abec7117694de29a8bbc45ed1 [0,1,0,1,0,0|2,0,0]=4 21737 B13R1.670 NC(=O)C1CCCN1CCCCO 5f01612911f5425a3e186dece5a39e90 [0,1,0,1,0,0|2,0,0]=4 21738 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCF 916d21bdfc6b6132c41eea6157540355 [0,1,0,1,0,0|2,0,0]=4 21739 B13R1.670 NC(=O)[C@@H]1CCCN1CCCCO f2073e9d745b6557e74c5dcabd9641ba [0,1,0,1,0,0|2,0,0]=4 21740 B13R1.670 NC(=O)[C@H]1CCCN1CCCCF b25bc310d2fa80293a5c93875bfcdc0a [0,1,0,1,0,0|2,0,0]=4 21741 B13R1.670 NC(=O)[C@H]1CCCN1CCCCO b60a361d3e8ad146517e0bede197a46e [0,1,0,1,0,0|2,0,0]=4 21742 B13R1.670 O=C(O)C1CCCC1OCCCF 971da95fd810683c4222c45cae4c2e68 [0,1,0,1,0,0|1,0,0]=3 21743 B13R1.670 O=C(O)C1CCCC1OCCCS c9a962e14517b6c4b325bdbc0f315372 [0,1,0,1,0,0|1,0,0]=3 21744 B13R1.670 O=C(O)C1CCCN1CCCCF 8bd234e3c5760561b875416b5c473ca8 [0,1,0,1,0,0|1,0,0]=3 21745 B13R1.670 O=C(O)C1CCCN1CCCCO 9abfbeca3e2fb5e8a3c96d9525663a10 [0,1,0,1,0,0|1,0,0]=3 21746 B13R1.670 O=C(O)C1CSCN1CCCCF 24ebe89c49369ba07518f9e23dc073c2 [0,1,0,1,0,0|2,0,0]=4 21747 B13R1.670 O=C(O)C1CSCN1CCCCO b3a9465a8789ba1b7e8b62deff9ab456 [0,1,0,1,0,0|2,0,0]=4 21748 B13R1.670 O=C(O)C1SCCN1CCCCF a5dbfac6df347e40c643ad4b00763ae6 [0,1,0,1,0,0|2,0,0]=4 21749 B13R1.670 O=C(O)C1SCCN1CCCCO 1358859402368220a0d23ef28d8884ce [0,1,0,1,0,0|2,0,0]=4 21750 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCF c54181835a90361455023c3cc98c8957 [0,1,0,1,0,0|1,0,0]=3 21751 B13R1.670 O=C(O)[C@@H]1CCCN1CCCCO e6d301d2dfd3c9e680e7b3a01c828052 [0,1,0,1,0,0|1,0,0]=3 21752 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NCCCF 1b91ef4fc15961e8be897b5be0f1d14a [0,1,0,1,0,0|1,0,0]=3 21753 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NCCCO 4f83ff0dd611b80c7f12711255f590bf [0,1,0,1,0,0|1,0,0]=3 21754 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1NCCCS 7c61e907643bd9c1ef9ef9aac5be1d62 [0,1,0,1,0,0|1,0,0]=3 21755 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1OCCCF bd00bb59f7b6130cfba6f767428be5f0 [0,1,0,1,0,0|1,0,0]=3 21756 B13R1.670 O=C(O)[C@@H]1CCC[C@@H]1OCCCS 6ad8c7543f9f586bf930ce143fa08e65 [0,1,0,1,0,0|1,0,0]=3 21757 B13R1.670 O=C(O)[C@@H]1CCC[C@H]1OCCCF 5399e764157cc32752e8f2d4fcab926b [0,1,0,1,0,0|1,0,0]=3 21758 B13R1.670 O=C(O)[C@@H]1CCC[C@H]1OCCCS 20e7ae2999bfd213cc38108db534d494 [0,1,0,1,0,0|1,0,0]=3 21759 B13R1.670 O=C(O)[C@@H]1COC[C@@H]1NCCCF 67b187d75782a145d0aeffdaf4425461 [0,1,0,1,0,0|2,0,0]=4 21760 B13R1.670 O=C(O)[C@@H]1COC[C@@H]1NCCCO d48caf894c4748344c4532f69a39bcc8 [0,1,0,1,0,0|2,0,0]=4 21761 B13R1.670 O=C(O)[C@@H]1COC[C@@H]1NCCCS 8ec04525c14d4b5fb9fc92251e356d20 [0,1,0,1,0,0|2,0,0]=4 21762 B13R1.670 O=C(O)[C@@H]1COC[C@H]1NCCCF b7a0330af712ae1aa18dc669c3f703dd [0,1,0,1,0,0|2,0,0]=4 21763 B13R1.670 O=C(O)[C@@H]1COC[C@H]1NCCCO 562673cb9a7ec378cc85acfac61764bd [0,1,0,1,0,0|2,0,0]=4 21764 B13R1.670 O=C(O)[C@@H]1COC[C@H]1NCCCS fe59551d2baabc5cbd288628fab8c9a9 [0,1,0,1,0,0|2,0,0]=4 21765 B13R1.670 O=C(O)[C@@H]1CSCN1CCCCF 2f53665a6d6ddf75f0e2cc876aaa09a0 [0,1,0,1,0,0|2,0,0]=4 21766 B13R1.670 O=C(O)[C@@H]1CSCN1CCCCO 2bd7baa5a330ea9a765bcf415af0dcd6 [0,1,0,1,0,0|2,0,0]=4 21767 B13R1.670 O=C(O)[C@H]1CCCN1CCCCF d708dca3e64f7ca9eef2daa35dc6a547 [0,1,0,1,0,0|1,0,0]=3 21768 B13R1.670 O=C(O)[C@H]1CCCN1CCCCO 0816b8c94b223fa43552e83f09cddabb [0,1,0,1,0,0|1,0,0]=3 21769 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NCCCF 3d88b52b1ee916538071ec651d1532e6 [0,1,0,1,0,0|1,0,0]=3 21770 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NCCCO d5aebf7b23437940701dee1e91b119d1 [0,1,0,1,0,0|1,0,0]=3 21771 B13R1.670 O=C(O)[C@H]1CCC[C@@H]1NCCCS 7840fd60fd53db424f95051f3ea64231 [0,1,0,1,0,0|1,0,0]=3 21772 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NCCCF 484351b18b21664cead9d6acbce14939 [0,1,0,1,0,0|1,0,0]=3 21773 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NCCCO 739f9929fa37bb9ecc6421309d5e74f6 [0,1,0,1,0,0|1,0,0]=3 21774 B13R1.670 O=C(O)[C@H]1CCC[C@H]1NCCCS ae1fda57fece8b1c2b597c17a87d040c [0,1,0,1,0,0|1,0,0]=3 21775 B13R1.670 O=C(O)[C@H]1CCC[C@H]1OCCCF 65e452d53fe2dea9aea605ec75faac1d [0,1,0,1,0,0|1,0,0]=3 21776 B13R1.670 O=C(O)[C@H]1CCC[C@H]1OCCCS dfbd25d722d2ec380418c4bf80ea487f [0,1,0,1,0,0|1,0,0]=3 21777 B13R1.670 O=C(O)[C@H]1COC[C@@H]1NCCCF c022c9770136366e72b91753c07cf58e [0,1,0,1,0,0|2,0,0]=4 21778 B13R1.670 O=C(O)[C@H]1COC[C@@H]1NCCCO f1cebbea157a94b930af5e070870a2da [0,1,0,1,0,0|2,0,0]=4 21779 B13R1.670 O=C(O)[C@H]1COC[C@@H]1NCCCS 58f37b17774eda0fcb8d892ce747080f [0,1,0,1,0,0|2,0,0]=4 21780 B13R1.670 O=C(O)[C@H]1COC[C@H]1NCCCF 99fcddc0276f3a19663e5455c729c3bb [0,1,0,1,0,0|2,0,0]=4 21781 B13R1.670 O=C(O)[C@H]1COC[C@H]1NCCCO 8a6740e8c4a6644dec33dd7f6f25c590 [0,1,0,1,0,0|2,0,0]=4 21782 B13R1.670 O=C(O)[C@H]1COC[C@H]1NCCCS 7873c1a414230592d9125eeb86bf98bd [0,1,0,1,0,0|2,0,0]=4 21783 B13R1.670 O=C(O)[C@H]1CSCN1CCCCF 18e7c908a8e59a44d1149ffae571a1db [0,1,0,1,0,0|2,0,0]=4 21784 B13R1.670 O=C(O)[C@H]1CSCN1CCCCO 053223f7e1346d458e5517f5f979c714 [0,1,0,1,0,0|2,0,0]=4 21785 B13R1.670 O=CCCCN1CCCC1C(=O)O 7e192f282f4190145aede7d411356781 [0,1,0,1,0,0|1,0,1]=4 21786 B13R1.670 O=CCCCN1CCC[C@@H]1C(=O)O a95f4dd43eca37a058988c468e2abb4b [0,1,0,1,0,0|1,0,1]=4 21787 B13R1.670 O=CCCCN1CCC[C@H]1C(=O)O 54085550e8ff498203350022252943ab [0,1,0,1,0,0|1,0,1]=4 21788 B13R1.670 O=CCCN[C@@H]1CCC[C@@H]1C(=O)O 5d4457fd143d7215f80687d1d08df7c3 [0,1,0,1,0,0|1,0,1]=4 21789 B13R1.670 O=CCCN[C@H]1CCC[C@@H]1C(=O)O 6b08d25b14b96e272e0c5587a8187cc4 [0,1,0,1,0,0|1,0,1]=4 21790 B13R1.670 O=CCCN[C@H]1CCC[C@H]1C(=O)O 92916d42135dbbe49ebdc8e19ff8a178 [0,1,0,1,0,0|1,0,1]=4 21791 B13R1.670 O=CCCOC1CCCC1C(=O)O 246891e4aefce861e9522794231da8ba [0,1,0,1,0,0|1,0,1]=4 21792 B13R1.670 O=CCCO[C@@H]1CCC[C@@H]1C(=O)O 059b1d40bea56b6b8dd357af235a41c5 [0,1,0,1,0,0|1,0,1]=4 21793 B13R1.670 O=CCCO[C@@H]1CCC[C@H]1C(=O)O 0531c943685cd8d1c6f80443033ded38 [0,1,0,1,0,0|1,0,1]=4 21794 B13R1.670 O=CCCO[C@H]1CCC[C@H]1C(=O)O 2f085bc06fa453494184658acc33a1de [0,1,0,1,0,0|1,0,1]=4 21795 B13R1.1022 C=C(Br)CNC1CCCCCCC1 5b9196314461a38aa0b7bf3efbfc91a2 [0,1,0,1,0,0|2,0,0]=4 21796 B13R1.1022 C=C(Br)COC1CCCCCCC1 4357928e308d4471082f05895d3e3ab9 [0,1,0,1,0,0|2,0,0]=4 21797 B13R1.1022 C=C(C)CCN1CCCCCCC1 66cabb7d82deac5bfb135f20f0492e08 [0,1,0,1,0,0|2,0,0]=4 21798 B13R1.1022 C=C(C)CNC1CCCCCCC1 879cf9bcacafd09e497b718019162988 [0,1,0,1,0,0|2,0,0]=4 21799 B13R1.1022 C=C(C)COC1CCCCCCC1 023f65b8fb6106217895f73fbb082a00 [0,1,0,1,0,0|2,0,0]=4 21800 B13R1.1022 C=C(Cl)CNC1CCCCCCC1 175a556bdd9eae6220e2135bd1ac165c [0,1,0,1,0,0|2,0,0]=4 21801 B13R1.1022 C=C(Cl)COC1CCCCCCC1 2951e87f25de3c15e549ddf79da75db7 [0,1,0,1,0,0|2,0,0]=4 21802 B13R1.1022 C=C(F)CNC1CCCCCCC1 ab78acb6cd0c20d63e8d45e270641e0c [0,1,0,1,0,0|2,0,0]=4 21803 B13R1.1022 C=C(F)COC1CCCCCCC1 80bf007d7efcc499688485dfa1e2e568 [0,1,0,1,0,0|2,0,0]=4 21804 B13R1.1022 CC(=O)CCN1CCCCCCC1 3b00eac956e0075df78ffa0c88023f76 [0,1,0,1,0,0|1,0,0]=3 21805 B13R1.1022 CC(=O)OCN1CCCCCCC1 942ae1e84935b93053521161c1237745 [0,1,0,1,0,0|2,0,0]=4 21806 B13R1.1022 CC(O)CCN1CCCCCCC1 2ea9425b66e660f656adefe15a7bd09b [0,1,0,1,0,0|1,0,1]=4 21807 B13R1.1022 CC(O)CNC1CCCCCCC1 17ecc1eb0d03a2b5130a9ccf5d117efb [0,1,0,1,0,0|1,0,1]=4 21808 B13R1.1022 CS(=O)CCN1CCCCCCC1 c2e23091688f8f65cf8e012bb419afd2 [0,1,0,1,0,0|2,0,0]=4 21809 B13R1.1022 C[C@@H](O)CNC1CCCCCCC1 640fbb2fe694d32be7b4b8512cb17ae1 [0,1,0,1,0,0|1,0,1]=4 21810 B13R1.1022 C[C@H](O)CNC1CCCCCCC1 f9b71f245c21c2aeaf68e1aa25358244 [0,1,0,1,0,0|1,0,1]=4 21811 B13R1.1022 NC(=O)CCN1CCCCCCC1 012167a0773d301861f9a839b8757d7d [0,1,0,1,0,0|1,0,0]=3 21812 B13R1.1022 NC(=O)CNC1CCCCCCC1 6a70186d74480f3d3e4c7e09e4a83c7a [0,1,0,1,0,0|1,0,0]=3 21813 B13R1.1022 NC(=O)COC1CCCCCCC1 602e5f3934e01205934c7e805e93e91f [0,1,0,1,0,0|1,0,0]=3 21814 B13R1.1022 NC(=O)SCN1CCCCCCC1 9596cfd584a1a5dfa0daf8d4107f8c64 [0,1,0,1,0,0|2,0,0]=4 21815 B13R1.1022 O=C(O)CCN1CCCCCCC1 a14b82353515aefd377f547bac034059 [0,1,0,1,0,0|0,0,0]=2 21816 B13R1.1022 O=C(O)CNC1/C=C\CCCCC1 b1415fa045cec872cf795385676c0d12 [0,1,0,1,0,0|0,0,2]=4 21817 B13R1.1022 O=C(O)CNC1CCCCCCC1 c2c73feb3b8b9bcc610ad9a77cda9a1d [0,1,0,1,0,0|0,0,0]=2 21818 B13R1.1022 O=C(O)COC1/C=C/CCCCC1 01693e763adc930b7fdd8e91a74327bd [0,1,0,1,0,0|0,0,2]=4 21819 B13R1.1022 O=C(O)COC1/C=C\CCCCC1 aa2f7f72dced4f78ac59d58de3ca6d63 [0,1,0,1,0,0|0,0,2]=4 21820 B13R1.1022 O=C(O)COC1C=CCCCCC1 2a09f1593141b32ba8f78a13bf23d032 [0,1,0,1,0,0|0,0,2]=4 21821 B13R1.1022 O=C(O)COC1CC/C=C/CCC1 4638c1af8b56cd537288c4292309d5e1 [0,1,0,1,0,0|0,0,2]=4 21822 B13R1.1022 O=C(O)COC1CC/C=C\CCC1 ca5eab9c94b61c1747b56489830c659c [0,1,0,1,0,0|0,0,2]=4 21823 B13R1.1022 O=C(O)COC1CCC=CCCC1 e76cfbb2c12f2637320175f8f6f196df [0,1,0,1,0,0|0,0,2]=4 21824 B13R1.1022 O=C(O)COC1CCCCCCC1 330e5c3b40bed0a56476ad6153361f77 [0,1,0,1,0,0|0,0,0]=2 21825 B13R1.1022 O=C(O)CO[C@@H]1CCC=CCCC1 59dcad6172f56c464cae8f3f0a4290ea [0,1,0,1,0,0|0,0,2]=4 21826 B13R1.1022 O=C(O)CO[C@H]1/C=C/CCCCC1 1054ae3cb321e1ab1282ebb2f9e984a0 [0,1,0,1,0,0|0,0,2]=4 21827 B13R1.1022 O=C(O)CO[C@H]1/C=C\CCCCC1 f158ca02d79dca2056cebc9ae5ce2b31 [0,1,0,1,0,0|0,0,2]=4 21828 B13R1.1022 O=[N+]([O-])CNC1CCCCCCC1 0fa26dad13e9e61dbc57e4044a7982cc [0,1,0,1,0,0|1,0,1]=4 21829 B13R1.1022 O=[N+]([O-])COC1CCCCCCC1 9efe99ecfa20510b0acb26b49b4ef864 [0,1,0,1,0,0|1,0,1]=4 21830 B13R1.1052 C=C(C)CCCOCCCC1CC1 29e9551518ed384e7c26c8fe9796d9ec [0,1,0,1,0,0|2,0,0]=4 21831 B13R1.1052 CC(=O)CCCCCNCC1CC1 b8afe6ca277b4ce587a1af36b241a936 [0,1,0,1,0,0|1,0,0]=3 21832 B13R1.1052 CC(=O)CCCCCOCC1CC1 3ecc6372d09dcf8c2706e75f73fe85dd [0,1,0,1,0,0|1,0,0]=3 21833 B13R1.1052 CC(=O)CCCCNCCC1CC1 7ea69b78b481bbce531be3892cd59d23 [0,1,0,1,0,0|1,0,0]=3 21834 B13R1.1052 CC(=O)CCCCNCCN1CC1 824b99278bb7c7762c1b5ec1f7699304 [0,1,0,1,0,0|2,0,0]=4 21835 B13R1.1052 CC(=O)CCCCOCCC1CC1 363000089f573aada249e90c8a970405 [0,1,0,1,0,0|1,0,0]=3 21836 B13R1.1052 CC(=O)CCCCOCCN1CC1 db0395db75824c06f593754e285eeb09 [0,1,0,1,0,0|2,0,0]=4 21837 B13R1.1052 CC(=O)CCCNCCOC1CC1 e6ae00dda03ebde96091f9e103187c00 [0,1,0,1,0,0|2,0,0]=4 21838 B13R1.1052 CC(=O)CCCOCCCC1CC1 6f012c7d1afbb05d6a5c7c5ad0bf89a8 [0,1,0,1,0,0|1,0,0]=3 21839 B13R1.1052 CC(=O)CCCOCCOC1CC1 16dec3a8982f800e97d3641f7268480c [0,1,0,1,0,0|2,0,0]=4 21840 B13R1.1052 CC(=O)CCNCCSCC1CC1 1d8ac65a0622d39e5d3e356eb46e77c4 [0,1,0,1,0,0|2,0,0]=4 21841 B13R1.1052 CC(=O)CCOCCCSC1CC1 715d74b2dc89893efff61a3317ae0412 [0,1,0,1,0,0|2,0,0]=4 21842 B13R1.1052 CC(=O)CCOCCOCC1CC1 4818e6702f6d5124e53533deab326fbf [0,1,0,1,0,0|2,0,0]=4 21843 B13R1.1052 CC(=O)NCCCCCNC1CC1 e9ba1e51b16814821f8d0109ce63d04f [0,1,0,1,0,0|2,0,0]=4 21844 B13R1.1052 CC(=O)NCCCCNCC1CC1 e87880489496d935f5c8127e8b943320 [0,1,0,1,0,0|2,0,0]=4 21845 B13R1.1052 CC(=O)NCCCNCCC1CC1 2e8211d2ece86aad529a440b443887c6 [0,1,0,1,0,0|2,0,0]=4 21846 B13R1.1052 CC(=O)NCCCOCCC1CC1 35fc66e3e0b95a1e5b114ce88841cfc3 [0,1,0,1,0,0|2,0,0]=4 21847 B13R1.1052 CC(=O)NCCOCCCC1CC1 19ebfe8bef1bc4206775d4911afc244d [0,1,0,1,0,0|2,0,0]=4 21848 B13R1.1052 CC(=O)OCCCCCNC1CC1 87625558b49a1dab14f577ef034d7770 [0,1,0,1,0,0|2,0,0]=4 21849 B13R1.1052 CC(=O)OCCCCCOC1CC1 88a285c8fa332bdead1ad4e83869850b [0,1,0,1,0,0|2,0,0]=4 21850 B13R1.1052 CC(=O)OCCCCNCC1CC1 02d3d1a236c510b99e51e937020b890b [0,1,0,1,0,0|2,0,0]=4 21851 B13R1.1052 CC(=O)OCCCCOCC1CC1 7b285646e2381a359e9fc4c064b9e921 [0,1,0,1,0,0|2,0,0]=4 21852 B13R1.1052 CC(=O)OCCCNCCC1CC1 cdf03551e520e861e8a826c6d7e4a1f0 [0,1,0,1,0,0|2,0,0]=4 21853 B13R1.1052 CC(=O)OCCCOCCC1CC1 4812f88027c3d8c57c169524d9844efa [0,1,0,1,0,0|2,0,0]=4 21854 B13R1.1052 CC(=O)OCCOCCCC1CC1 061bbd657ebe96af7d9d4fb133f5f016 [0,1,0,1,0,0|2,0,0]=4 21855 B13R1.1052 CC(=O)SCCCCNCC1CC1 8ed06452906f4d5bf1945719a595eea0 [0,1,0,1,0,0|2,0,0]=4 21856 B13R1.1052 CC(=O)SCCCCOCC1CC1 c7b6bc97869c55b8a3a7b738d16cc66d [0,1,0,1,0,0|2,0,0]=4 21857 B13R1.1052 CC(=O)SCCCNCCC1CC1 e08061934a6595d3d408ae7d585c1242 [0,1,0,1,0,0|2,0,0]=4 21858 B13R1.1052 CC(=O)SCCCOCCC1CC1 5e1a1d18c130a2d490a82efd18f01b15 [0,1,0,1,0,0|2,0,0]=4 21859 B13R1.1052 CC(=O)SCCOCCCC1CC1 4b22c9cc8786b8527db1da60f9853e21 [0,1,0,1,0,0|2,0,0]=4 21860 B13R1.1052 CC(O)CCCCNCCC1CC1 50a4b04deeaeeefd6da040c218a80137 [0,1,0,1,0,0|1,0,1]=4 21861 B13R1.1052 C[C@@H](O)CCCCNCCC1CC1 04def9a853f86bbdb10a705b829ec296 [0,1,0,1,0,0|1,0,1]=4 21862 B13R1.1052 NC(=O)CCCCCCOC1CC1 5408a6ecfe42e1b81c2eb8dc16ef44b2 [0,1,0,1,0,0|1,0,0]=3 21863 B13R1.1052 NC(=O)CCCCCNCC1CC1 cf19dd64331dd712280a8e36e8ada320 [0,1,0,1,0,0|1,0,0]=3 21864 B13R1.1052 NC(=O)CCCCCOCC1CC1 24c20da7a74a9438057ca6b347b6be98 [0,1,0,1,0,0|1,0,0]=3 21865 B13R1.1052 NC(=O)CCCCNCCC1CC1 e8c76528f8727c317a73e1b06df107fb [0,1,0,1,0,0|1,0,0]=3 21866 B13R1.1052 NC(=O)CCCCNCCN1CC1 43c2c04768c737125acdef4934414148 [0,1,0,1,0,0|2,0,0]=4 21867 B13R1.1052 NC(=O)CCCCOCCC1CC1 c6683e670fd1cd1457b94496e8788404 [0,1,0,1,0,0|1,0,0]=3 21868 B13R1.1052 NC(=O)CCCCOCCN1CC1 10d7eade68a07d20191628c18613b843 [0,1,0,1,0,0|2,0,0]=4 21869 B13R1.1052 NC(=O)CCCNCCOC1CC1 8c06ad704380b8020ebae0797563a12c [0,1,0,1,0,0|2,0,0]=4 21870 B13R1.1052 NC(=O)CCCOCCCC1CC1 44afc75f3d3276a628926caf631c90d5 [0,1,0,1,0,0|1,0,0]=3 21871 B13R1.1052 NC(=O)CCCOCCOC1CC1 df98d54d27329957e8f3c3d4d1c3d058 [0,1,0,1,0,0|2,0,0]=4 21872 B13R1.1052 NC(=O)CCNCCSCC1CC1 bbff8b1e4a666f8f18d6bd8599f520ce [0,1,0,1,0,0|2,0,0]=4 21873 B13R1.1052 NC(=O)CCOCCCSC1CC1 078444b897e42515eec7692515f97b7f [0,1,0,1,0,0|2,0,0]=4 21874 B13R1.1052 NC(=O)CCOCCOCC1CC1 70ba206843d19e17155544b52aa70643 [0,1,0,1,0,0|2,0,0]=4 21875 B13R1.1052 NC(=O)CCSCCCNC1CC1 d0032034de7f79d88229afc43aadfcbe [0,1,0,1,0,0|2,0,0]=4 21876 B13R1.1052 NC(=O)CNCCCOCC1CC1 8a8663adf3586256f5e9b919fa940940 [0,1,0,1,0,0|2,0,0]=4 21877 B13R1.1052 NC(=O)COCCNCCC1CC1 840e22176d8ce2922f242aeb140edbc5 [0,1,0,1,0,0|2,0,0]=4 21878 B13R1.1052 NC(=O)COCCOCCC1CC1 bdfe9925f2078fd96ee6a41803012e90 [0,1,0,1,0,0|2,0,0]=4 21879 B13R1.1052 NC(=O)CSCCOCCC1CC1 31cbb61d171934cdf92b8fb1eda0b98d [0,1,0,1,0,0|2,0,0]=4 21880 B13R1.1052 NC(=O)NCCOCCCC1CC1 bc8e13eb2975c182d449ae609d211214 [0,1,0,1,0,0|2,0,0]=4 21881 B13R1.1052 O=C(O)/C=C/COCCCC1CC1 6e2279157e13124229fb652dadf929fd [0,1,0,1,0,0|0,0,2]=4 21882 B13R1.1052 O=C(O)C#CCCOCCC1CC1 b4050b94d73f7d5e35843cbbab3b4d14 [0,1,0,1,0,0|0,0,2]=4 21883 B13R1.1052 O=C(O)C=CCOCCCC1CC1 a98bb41d32e7df1ac3bdd4475675879a [0,1,0,1,0,0|0,0,2]=4 21884 B13R1.1052 O=C(O)CCCCCCNC1CC1 ce789a676804ab8cac3c43c3e501071c [0,1,0,1,0,0|0,0,0]=2 21885 B13R1.1052 O=C(O)CCCCCCOC1CC1 d87c2a6a9e2308464cdf91a36a070058 [0,1,0,1,0,0|0,0,0]=2 21886 B13R1.1052 O=C(O)CCCCCNCC1CC1 55e40ed106c7f27256369d017570ffcd [0,1,0,1,0,0|0,0,0]=2 21887 B13R1.1052 O=C(O)CCCCCOCC1CC1 9411dba4e574c9b284a00a5f647dd4f3 [0,1,0,1,0,0|0,0,0]=2 21888 B13R1.1052 O=C(O)CCCCNCCC1CC1 01b51213ef7ea33759dfb3293e8a7982 [0,1,0,1,0,0|0,0,0]=2 21889 B13R1.1052 O=C(O)CCCCNCCN1CC1 cca672aba2e2d70cb3a28b414d5e2a46 [0,1,0,1,0,0|1,0,0]=3 21890 B13R1.1052 O=C(O)CCCCOCCC1CC1 eab4f83b8c0e44bdd764694a9d4b057f [0,1,0,1,0,0|0,0,0]=2 21891 B13R1.1052 O=C(O)CCCCOCCN1CC1 617ea7a4d0922195057b5ee721e7a68a [0,1,0,1,0,0|1,0,0]=3 21892 B13R1.1052 O=C(O)CCCNCCOC1CC1 a5a9278fe4c1e86edb103cd9ea70f0f8 [0,1,0,1,0,0|1,0,0]=3 21893 B13R1.1052 O=C(O)CCCOC/C=C/C1CC1 3f688b11c841030a068101f3e436962e [0,1,0,1,0,0|0,0,2]=4 21894 B13R1.1052 O=C(O)CCCOCCOC1CC1 47bf0f0278a03eb38903eacafc000a84 [0,1,0,1,0,0|1,0,0]=3 21895 B13R1.1052 O=C(O)CCNCCCC=C1CC1 eeb1ed8bc3048fd7433ab11c0a7d50ce [0,1,0,1,0,0|0,0,2]=4 21896 B13R1.1052 O=C(O)CCNCCSCC1CC1 074e322753bd25a69569579ead2025a2 [0,1,0,1,0,0|1,0,0]=3 21897 B13R1.1052 O=C(O)CCOCCCC=C1CC1 b3f9ef8850e2ff67be7f6da32c6b35b3 [0,1,0,1,0,0|0,0,2]=4 21898 B13R1.1052 O=C(O)CCOCCCSC1CC1 41625c867509815d95b93a4e5d4cb701 [0,1,0,1,0,0|1,0,0]=3 21899 B13R1.1052 O=C(O)CCOCCNCC1CC1 d126be738b701c53f8be38a212d87929 [0,1,0,1,0,0|1,0,0]=3 21900 B13R1.1052 O=C(O)CCOCCOCC1CC1 9675e43c683564ff3e327a8e04aa6d53 [0,1,0,1,0,0|1,0,0]=3 21901 B13R1.1052 O=C(O)CNCCCOCC1CC1 b5742020b8e29c0ae9fe13949ef6ce32 [0,1,0,1,0,0|1,0,0]=3 21902 B13R1.1052 O=C(O)COCCCNCC1CC1 c15744b15d552684f830f89a19708d5a [0,1,0,1,0,0|1,0,0]=3 21903 B13R1.1052 O=C(O)COCCCOCC1CC1 4133209b7dc913c141332684bab0de4b [0,1,0,1,0,0|1,0,0]=3 21904 B13R1.1052 O=C(O)COCCNCCC1CC1 436ac5e363a4cf2efff1b70c7d39a432 [0,1,0,1,0,0|1,0,0]=3 21905 B13R1.1052 O=C(O)COCCNCCN1CC1 d293c687ef957d386ba9b46bce601281 [0,1,0,1,0,0|2,0,0]=4 21906 B13R1.1052 O=C(O)COCCOCCC1CC1 edc2ce440fc9f326d05d95d6ca4750e7 [0,1,0,1,0,0|1,0,0]=3 21907 B13R1.1052 O=C(O)COCCOCCN1CC1 63092d3a631fb9ea4ec8af17364ccfa6 [0,1,0,1,0,0|2,0,0]=4 21908 B13R1.1052 O=C(O)CSCCNCCC1CC1 d5ee919742990c0f0f4b862d90236b08 [0,1,0,1,0,0|1,0,0]=3 21909 B13R1.1052 O=[N+]([O-])CCCCOCCC1CC1 d5014320fbb8c774490f0e64a06771fe [0,1,0,1,0,0|1,0,1]=4 21910 B13R1.1052 O=[N+]([O-])CCCOCCCC1CC1 3b83309d2eb08630b97be3c7a657250e [0,1,0,1,0,0|1,0,1]=4 21911 B13R1.1148 CCCCCN1CCCCC(C1)O 1d354b762b6901b51988e4d94a79fb19 [0,1,0,1,0,0|1,0,1]=4 21912 B13R1.1148 CCCCCN1CCCC[C@H](C1)O f01d551c3bfcea7abcde16f1b3642d89 [0,1,0,1,0,0|1,0,1]=4 21913 B13R1.1148 CCCCCN1CCCNC(=O)C1 977345f59be0cb18fb21eda8ddc7f4b1 [0,1,0,1,0,0|2,0,0]=4 21914 B13R1.1148 CCCCOC1CCCNC(=O)C1 cada47463aa22069051504f4e72a81c2 [0,1,0,1,0,0|2,0,0]=4 21915 B13R1.1148 CCCOCC1CCCCC(=O)N1 f4305fc4018b2f3f7d2d226dc370e87f [0,1,0,1,0,0|1,0,0]=3 21916 B13R1.1148 COCOCC1CCCCC(=O)N1 9fba404ae6094cdfcd23d8708c33f379 [0,1,0,1,0,0|2,0,0]=4 21917 B13R1.1148 CSCOCC1CCCCC(=O)N1 4de341d66a07036746262b09e9a22c9f [0,1,0,1,0,0|2,0,0]=4 21918 B13R1.1148 O=C1CCCCC(N1)COCCF a7a88c749eab9208c79abb04c2b7aabc [0,1,0,1,0,0|2,0,0]=4 21919 B13R1.1148 O=C1CCCCC(N1)COCCS fe7877c7fc1b3aaa4745b4e4b0d73704 [0,1,0,1,0,0|2,0,0]=4 21920 B13R1.2852 C#CCCCN1CCC1CC(=O)O 8b8230fe3e9e5b907f026aae710b496a [0,1,0,1,0,0|0,0,2]=4 21921 B13R1.2852 C=CCCCN1CCC1CC(=O)O 85c66c4b9aa813cdf26190d82792ccd8 [0,1,0,1,0,0|0,0,2]=4 21922 B13R1.2852 CC/C=C/CN1CCC1CC(=O)O 687829ea78ef2deed1b0f11d8ba45fae [0,1,0,1,0,0|0,0,2]=4 21923 B13R1.2852 CCCCCN1CCC1CC(=O)O 3463dfe593752106103b4c86e544596c [0,1,0,1,0,0|0,0,0]=2 21924 B13R1.2852 CCCCOC1CCC1OC(=O)C 9884e26f60c4efa41152671dbfbabdf2 [0,1,0,1,0,0|2,0,0]=4 21925 B13R1.2852 CCOCCN1CCC1CC(=O)O 271a47d7ca4694e7f94dd1b56a24be4b [0,1,0,1,0,0|1,0,0]=3 21926 B13R1.2852 CCSCCN1CCC1CC(=O)O 0c7c4b4a0508d8e2df877e446b66ebc7 [0,1,0,1,0,0|1,0,0]=3 21927 B13R1.2852 COCCCN1CCC1CC(=O)O 9dcb859db23a92682f5d7d0fc4523b34 [0,1,0,1,0,0|1,0,0]=3 21928 B13R1.2852 CSCCCN1CCC1CC(=O)O c846915015727b3b9a1ec25033216c4d [0,1,0,1,0,0|1,0,0]=3 21929 B13R1.2852 N#CCCCN1CCC1CC(=O)O a14113d386ef8f0f614067db0ace7416 [0,1,0,1,0,0|1,0,1]=4 21930 B13R1.2852 O=C(O)CC1CCN1CCCCF cbba4144a7f374b3e5352cacb4e3611a [0,1,0,1,0,0|1,0,0]=3 21931 B13R1.2852 O=C(O)CC1CCN1CCCCO 664236fbe58cb1bb092ec4491dcbd441 [0,1,0,1,0,0|1,0,0]=3 21932 B13R1.2852 O=CCCCN1CCC1CC(=O)O cccf949d04369273bfd531ac34f118c1 [0,1,0,1,0,0|1,0,1]=4 21933 B13R1.2970 CCCCCNCC1CCS1(=O)=O 6e749bbd26418782ed01359c37006d1e [0,1,0,1,0,0|1,0,1]=4 21934 B13R1.2970 CCCCCOCC1CCS1(=O)=O 4c77e31d693fd3beb9632549c0aa06a7 [0,1,0,1,0,0|1,0,1]=4 21935 B13R1.3435 C#CCCCCN1CCC1C(=O)O f68ef3d52e59478a9fd169186d154d0c [0,1,0,1,0,0|0,0,2]=4 21936 B13R1.3435 C#CCCCCN1CC[C@@H]1C(=O)O bf3bd6ec5b480cfcc3670e4f2a97fba6 [0,1,0,1,0,0|0,0,2]=4 21937 B13R1.3435 C#CCCCCN1CC[C@H]1C(=O)O 8a05eacdcb01b140c1f2390cc055b6dd [0,1,0,1,0,0|0,0,2]=4 21938 B13R1.3435 C#CCCCN[C@H]1CC[C@H]1C(=O)O 3cfa6fde4bc99f03202cbad16fc50777 [0,1,0,1,0,0|0,0,2]=4 21939 B13R1.3435 C#CCCCOC1CCC1C(=O)O ca9f10775ac38917b011c78eed2642d9 [0,1,0,1,0,0|0,0,2]=4 21940 B13R1.3435 C#CCCCO[C@H]1CC[C@@H]1C(=O)O d852fedf5e47b31d68a71ee751ce7547 [0,1,0,1,0,0|0,0,2]=4 21941 B13R1.3435 C/C=C\CCCN1CCC1C(=O)O a2b38a50bef8b22e2db9f65dc0501684 [0,1,0,1,0,0|0,0,2]=4 21942 B13R1.3435 C/C=C\CCCN1CC[C@@H]1C(=O)O db9dfc72cddb3f7e286f7ef202560dde [0,1,0,1,0,0|0,0,2]=4 21943 B13R1.3435 C/C=C\CCCN1CC[C@H]1C(=O)O 3b6f76bc744316e62499aa86710ca8fd [0,1,0,1,0,0|0,0,2]=4 21944 B13R1.3435 C=CCCCCN1CCC1C(=O)O d90f485a40cde2d784d0f24b24881d78 [0,1,0,1,0,0|0,0,2]=4 21945 B13R1.3435 C=CCCCCN1CC[C@@H]1C(=O)O b97f4fbd9deaed1e32bd401ed3b22353 [0,1,0,1,0,0|0,0,2]=4 21946 B13R1.3435 C=CCCCCN1CC[C@H]1C(=O)O 856a6ff2aeb38202f5421cb426be364b [0,1,0,1,0,0|0,0,2]=4 21947 B13R1.3435 C=CCCCN[C@H]1CC[C@H]1C(=O)O da1568a55d4aa92dab7c6898f32d98f3 [0,1,0,1,0,0|0,0,2]=4 21948 B13R1.3435 C=CCCCOC1CCC1C(=O)O e977f48016ac83cda5554d328c60413d [0,1,0,1,0,0|0,0,2]=4 21949 B13R1.3435 C=CCCCO[C@H]1CC[C@@H]1C(=O)O 11c07823c3fc87aaff04b50bf99f96a9 [0,1,0,1,0,0|0,0,2]=4 21950 B13R1.3435 CC/C=C/CN[C@H]1CC[C@H]1C(=O)O d3e7037dc2e544b79e85ad5a7a5eaa56 [0,1,0,1,0,0|0,0,2]=4 21951 B13R1.3435 CC/C=C/COC1CCC1C(=O)O 133f1e50fca5ce69f04b516747f2c67f [0,1,0,1,0,0|0,0,2]=4 21952 B13R1.3435 CC/C=C/CO[C@H]1CC[C@@H]1C(=O)O 893f4bf71d12ff8de882ae2680384b9e [0,1,0,1,0,0|0,0,2]=4 21953 B13R1.3435 CC/C=C\CCN1CCC1C(=O)O f895c245d90081e1dccb21a536b5874f [0,1,0,1,0,0|0,0,2]=4 21954 B13R1.3435 CC/C=C\CCN1CC[C@@H]1C(=O)O 63f6eb910026fa0706f090b9b9473d02 [0,1,0,1,0,0|0,0,2]=4 21955 B13R1.3435 CC/C=C\CCN1CC[C@H]1C(=O)O 16dbe71ae03cd0382665ae7e4f9ebafd [0,1,0,1,0,0|0,0,2]=4 21956 B13R1.3435 CCC/C=C/CN1CCC1C(=O)O c58c23430dbdf923f74f059df48db345 [0,1,0,1,0,0|0,0,2]=4 21957 B13R1.3435 CCC/C=C/CN1CC[C@@H]1C(=O)O 1cc9c76899b7eeee1b0029b7dfe8cd3e [0,1,0,1,0,0|0,0,2]=4 21958 B13R1.3435 CCC/C=C/CN1CC[C@H]1C(=O)O 513e06960bcf1fcfb9843cb5411d09f9 [0,1,0,1,0,0|0,0,2]=4 21959 B13R1.3435 CCC/C=C\CN1CCC1C(=O)O d805309dd1ecd0f834f3c8ee4d86573d [0,1,0,1,0,0|0,0,2]=4 21960 B13R1.3435 CCC/C=C\CN1CC[C@@H]1C(=O)O 171230f4eaf3da7679b07c15d9158970 [0,1,0,1,0,0|0,0,2]=4 21961 B13R1.3435 CCC/C=C\CN1CC[C@H]1C(=O)O c28b0afc221ec0b8ed79b81f8293c23e [0,1,0,1,0,0|0,0,2]=4 21962 B13R1.3435 CCCCCCN1CCC1C(=O)N 90777f56b7050aa1e0fc5e636353da1d [0,1,0,1,0,0|1,0,0]=3 21963 B13R1.3435 CCCCCCN1CCC1C(=O)O 9b2a45857490d7256797958957cb43ad [0,1,0,1,0,0|0,0,0]=2 21964 B13R1.3435 CCCCCCN1CC[C@@H]1C(=O)N e9f2c7ee1e616f93e1226676b590d3b8 [0,1,0,1,0,0|1,0,0]=3 21965 B13R1.3435 CCCCCCN1CC[C@@H]1C(=O)O 9eba1e4962a11225f662a6f2f378e551 [0,1,0,1,0,0|0,0,0]=2 21966 B13R1.3435 CCCCCCN1CC[C@H]1C(=O)N e6e4ccb0bef95408634aea8b6e13604c [0,1,0,1,0,0|1,0,0]=3 21967 B13R1.3435 CCCCCCN1CC[C@H]1C(=O)O d6ecb35f933e8ef86da4853dda1d83a4 [0,1,0,1,0,0|0,0,0]=2 21968 B13R1.3435 CCCCCN[C@H]1CC[C@H]1C(=O)O 0cfc92e9df4a02a6b6d33e6db773698c [0,1,0,1,0,0|0,0,0]=2 21969 B13R1.3435 CCCCCOC1CCC1C(=O)O a826e933fa68f75a26e631284bdb6dc8 [0,1,0,1,0,0|0,0,0]=2 21970 B13R1.3435 CCCCCO[C@H]1CC[C@@H]1C(=O)O 164787dd678abec822897a4edb816662 [0,1,0,1,0,0|0,0,0]=2 21971 B13R1.3435 CCCCOCC1CCN1C(=O)C 7f2d0efdd2526af999ac3e15d50b2328 [0,1,0,1,0,0|2,0,0]=4 21972 B13R1.3435 CCCCOCN1CCC1C(=O)N 841a02dadaecf1f053d5b15abe0214ab [0,1,0,1,0,0|2,0,0]=4 21973 B13R1.3435 CCCCOCN1CCC1C(=O)O fe6b1fd45505ed84b72304d6c9806005 [0,1,0,1,0,0|1,0,0]=3 21974 B13R1.3435 CCCCOCN1CC[C@@H]1C(=O)N 355b7cb96ea91f484581bab61699328a [0,1,0,1,0,0|2,0,0]=4 21975 B13R1.3435 CCCCOCN1CC[C@@H]1C(=O)O 0b290eb34c46d90637ae53621ecb2445 [0,1,0,1,0,0|1,0,0]=3 21976 B13R1.3435 CCCCOCN1CC[C@H]1C(=O)N 055cf543f2adb64cbbf8dd9b2b02b25f [0,1,0,1,0,0|2,0,0]=4 21977 B13R1.3435 CCCCOCN1CC[C@H]1C(=O)O 4ea7b93bfe4a224716d164eaf61d84e9 [0,1,0,1,0,0|1,0,0]=3 21978 B13R1.3435 CCCOCCN1CCC1C(=O)N 72cbb0decf7c2342e6e0062d44279674 [0,1,0,1,0,0|2,0,0]=4 21979 B13R1.3435 CCCOCCN1CCC1C(=O)O 8fa51c18a82f8c123de0e3b0976ef3ca [0,1,0,1,0,0|1,0,0]=3 21980 B13R1.3435 CCCOCCN1CC[C@@H]1C(=O)N 20062fb95854e28ab9bc29123e2344a6 [0,1,0,1,0,0|2,0,0]=4 21981 B13R1.3435 CCCOCCN1CC[C@@H]1C(=O)O d31c012575e11acae2ec7e5f0de4f3cc [0,1,0,1,0,0|1,0,0]=3 21982 B13R1.3435 CCCOCCN1CC[C@H]1C(=O)N a6e672300ab0b92d573a57b8eb18fef0 [0,1,0,1,0,0|2,0,0]=4 21983 B13R1.3435 CCCOCCN1CC[C@H]1C(=O)O 542d31db90e919da04dbcb9bb34c1dfe [0,1,0,1,0,0|1,0,0]=3 21984 B13R1.3435 CCOCCCN1CCC1C(=O)N b5dbe7b430d367ba3203d5e167f40dad [0,1,0,1,0,0|2,0,0]=4 21985 B13R1.3435 CCOCCCN1CCC1C(=O)O b032470cc24244c7d51751e782c41267 [0,1,0,1,0,0|1,0,0]=3 21986 B13R1.3435 CCOCCCN1CC[C@@H]1C(=O)N d6234ced2f02c43f59b28c744d79f2ae [0,1,0,1,0,0|2,0,0]=4 21987 B13R1.3435 CCOCCCN1CC[C@@H]1C(=O)O d4bd43f1598dc32386546c206f00dea0 [0,1,0,1,0,0|1,0,0]=3 21988 B13R1.3435 CCOCCCN1CC[C@H]1C(=O)N 64cc42f0193cc083988ff1ea23f9cabb [0,1,0,1,0,0|2,0,0]=4 21989 B13R1.3435 CCOCCCN1CC[C@H]1C(=O)O 9ce72f66f6fb7d9666397f994c670ad7 [0,1,0,1,0,0|1,0,0]=3 21990 B13R1.3435 CCOCCN[C@H]1CC[C@H]1C(=O)O befb1a6d04ca8d097304313683936e3c [0,1,0,1,0,0|1,0,0]=3 21991 B13R1.3435 CCOCCOC1CCC1C(=O)O 208d668aff3398f966c302bd00a4e84e [0,1,0,1,0,0|1,0,0]=3 21992 B13R1.3435 CCOCCO[C@H]1CC[C@@H]1C(=O)O 6c8a4a60dc8af1abb2b50c5655e054a7 [0,1,0,1,0,0|1,0,0]=3 21993 B13R1.3435 CCSCCCN1CCC1C(=O)N 5472fcc730593aed16ab522c7a76bff7 [0,1,0,1,0,0|2,0,0]=4 21994 B13R1.3435 CCSCCCN1CCC1C(=O)O 8c7a7e2540a48144cc42d74c42455b39 [0,1,0,1,0,0|1,0,0]=3 21995 B13R1.3435 CCSCCCN1CC[C@@H]1C(=O)N 4c30ca50963fcd1919a7f5bdd63b69e5 [0,1,0,1,0,0|2,0,0]=4 21996 B13R1.3435 CCSCCCN1CC[C@@H]1C(=O)O c933ed03fb86b7b14848e220129f82c1 [0,1,0,1,0,0|1,0,0]=3 21997 B13R1.3435 CCSCCCN1CC[C@H]1C(=O)N b3c1b82c567771a18e36832b291d3de7 [0,1,0,1,0,0|2,0,0]=4 21998 B13R1.3435 CCSCCCN1CC[C@H]1C(=O)O a792a233c0d961272142fcff7a3c2cfa [0,1,0,1,0,0|1,0,0]=3 21999 B13R1.3435 CCSCCN[C@H]1CC[C@H]1C(=O)O a8a38a39de3429cff75c6d997c19fb41 [0,1,0,1,0,0|1,0,0]=3 22000 B13R1.3435 CCSCCOC1CCC1C(=O)O c53d5e77aa577ff57ea93fefa85568bd [0,1,0,1,0,0|1,0,0]=3 22001 B13R1.3435 CCSCCO[C@H]1CC[C@@H]1C(=O)O 6d2d0943fc44cc9907feb94c76db0234 [0,1,0,1,0,0|1,0,0]=3 22002 B13R1.3435 COCCCCN1CCC1C(=O)N 7cd4a9fddfa0c27a67b66eafbdf1f681 [0,1,0,1,0,0|2,0,0]=4 22003 B13R1.3435 COCCCCN1CCC1C(=O)O 8829d4c7de26728d2d0cad0eff95539c [0,1,0,1,0,0|1,0,0]=3 22004 B13R1.3435 COCCCCN1CC[C@@H]1C(=O)N 282c5afde3b938f46fef695b8a38eaac [0,1,0,1,0,0|2,0,0]=4 22005 B13R1.3435 COCCCCN1CC[C@@H]1C(=O)O 4326c403e75713eb23dbb285b65f36a1 [0,1,0,1,0,0|1,0,0]=3 22006 B13R1.3435 COCCCCN1CC[C@H]1C(=O)N a7567f75df5462b17431ed58735672f6 [0,1,0,1,0,0|2,0,0]=4 22007 B13R1.3435 COCCCCN1CC[C@H]1C(=O)O 1e77610e46fb235ce43e9d707185e350 [0,1,0,1,0,0|1,0,0]=3 22008 B13R1.3435 COCCCN[C@H]1CC[C@H]1C(=O)O 6e051d824bec052af81dc2190b30332e [0,1,0,1,0,0|1,0,0]=3 22009 B13R1.3435 COCCCOC1CCC1C(=O)O 966d0bfb52cdff9848b229ca82cd5d32 [0,1,0,1,0,0|1,0,0]=3 22010 B13R1.3435 COCCCO[C@H]1CC[C@@H]1C(=O)O 125255caf52aebc505fa82a2fd6d0034 [0,1,0,1,0,0|1,0,0]=3 22011 B13R1.3435 COCCOCN1CCC1C(=O)O 14541fd1406d9e75183ba63269c1a25a [0,1,0,1,0,0|2,0,0]=4 22012 B13R1.3435 COCCOCN1CC[C@@H]1C(=O)O 69afcd90e539c38d6a00b97a78d5e941 [0,1,0,1,0,0|2,0,0]=4 22013 B13R1.3435 COCCOCN1CC[C@H]1C(=O)O 7d647875f51790eb621c1c8c4f2932fc [0,1,0,1,0,0|2,0,0]=4 22014 B13R1.3435 COCOCCN1CCC1C(=O)O dcb8adce8d39c81c7766374113abaa0f [0,1,0,1,0,0|2,0,0]=4 22015 B13R1.3435 COCOCCN1CC[C@@H]1C(=O)O 71e2acd777f2bbdf20b397460f782b61 [0,1,0,1,0,0|2,0,0]=4 22016 B13R1.3435 COCOCCN1CC[C@H]1C(=O)O 6fff42a86c3d11fde3833932991c0e43 [0,1,0,1,0,0|2,0,0]=4 22017 B13R1.3435 CSCCCN[C@H]1CC[C@H]1C(=O)O ab5fee9b26f576417c482fb796989728 [0,1,0,1,0,0|1,0,0]=3 22018 B13R1.3435 CSCCCOC1CCC1C(=O)O c4d0acc0a6c7c8cc68d9cabefa3f81c6 [0,1,0,1,0,0|1,0,0]=3 22019 B13R1.3435 CSCCCO[C@H]1CC[C@@H]1C(=O)O 7ab42fd56bc4599e4b4c549ac45010f7 [0,1,0,1,0,0|1,0,0]=3 22020 B13R1.3435 N#CCCCCN1CCC1C(=O)O 703af33a6e37548be69c599424f4a5d9 [0,1,0,1,0,0|1,0,1]=4 22021 B13R1.3435 N#CCCCCN1CC[C@@H]1C(=O)O 17488d95082603e91c09c2ac9314047a [0,1,0,1,0,0|1,0,1]=4 22022 B13R1.3435 N#CCCCCN1CC[C@H]1C(=O)O 678ff4d6d8e2dd7ea44e8ba1c511ebad [0,1,0,1,0,0|1,0,1]=4 22023 B13R1.3435 N#CCCCN[C@H]1CC[C@H]1C(=O)O 9a14338af71d6ae3130b9de71a90e063 [0,1,0,1,0,0|1,0,1]=4 22024 B13R1.3435 N#CCCCOC1CCC1C(=O)O 5aa62b914b3d3fa7a43f5b686a106de4 [0,1,0,1,0,0|1,0,1]=4 22025 B13R1.3435 N#CCCCO[C@H]1CC[C@@H]1C(=O)O 2e27b07d34a665e40b6b7081c309b28b [0,1,0,1,0,0|1,0,1]=4 22026 B13R1.3435 NC(=O)C1CCN1CCCCCF bbf4102feebac03b9defd0d581437cdb [0,1,0,1,0,0|2,0,0]=4 22027 B13R1.3435 NC(=O)C1CCN1CCCCCO bca634675551674aeec6cdd00912a42b [0,1,0,1,0,0|2,0,0]=4 22028 B13R1.3435 NC(=O)[C@@H]1CCN1CCCCCF 1ea7b6fc5f3def703b75a37d81c67ad0 [0,1,0,1,0,0|2,0,0]=4 22029 B13R1.3435 NC(=O)[C@@H]1CCN1CCCCCO e741cd803e83432a9af18f64a985bc45 [0,1,0,1,0,0|2,0,0]=4 22030 B13R1.3435 NC(=O)[C@H]1CCN1CCCCCF f67405cd9efeca2a1d8f0a31c150fd5d [0,1,0,1,0,0|2,0,0]=4 22031 B13R1.3435 NC(=O)[C@H]1CCN1CCCCCO 3776a75f8740c7efbbfe40ec11af6cff [0,1,0,1,0,0|2,0,0]=4 22032 B13R1.3435 NOCCCCN1CCC1C(=O)O 1b976d36b2d58839826153976b11129a [0,1,0,1,0,0|2,0,0]=4 22033 B13R1.3435 NOCCCCN1CC[C@@H]1C(=O)O cc0fe8ec08383e40cc089353a43cd362 [0,1,0,1,0,0|2,0,0]=4 22034 B13R1.3435 NOCCCCN1CC[C@H]1C(=O)O f37a0e91ffa238e21badfde9cbde6f43 [0,1,0,1,0,0|2,0,0]=4 22035 B13R1.3435 O=C(O)C1CCC1OCCCCF ba0f79297c60037b1300b56c0af69178 [0,1,0,1,0,0|1,0,0]=3 22036 B13R1.3435 O=C(O)C1CCN1CCCCCF f30fd0146cb593adcdb34c34ca6a36e9 [0,1,0,1,0,0|1,0,0]=3 22037 B13R1.3435 O=C(O)C1CCN1CCCCCO 1c1f296b9a12ca84e5b585045c77e682 [0,1,0,1,0,0|1,0,0]=3 22038 B13R1.3435 O=C(O)C1CCN1CCOCCO d8b1f3983ccd8402f675fd2589261cfb [0,1,0,1,0,0|2,0,0]=4 22039 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCF 1256f4d25ce8c1932d0f3115d24689ef [0,1,0,1,0,0|1,0,0]=3 22040 B13R1.3435 O=C(O)[C@@H]1CCN1CCCCCO 8f9c02d30f59fbd6e1f2c266ef328dfa [0,1,0,1,0,0|1,0,0]=3 22041 B13R1.3435 O=C(O)[C@@H]1CCN1CCOCCO 1d291ab8f0de2618a6de5659ccfa7592 [0,1,0,1,0,0|2,0,0]=4 22042 B13R1.3435 O=C(O)[C@@H]1CC[C@@H]1NCCCCF 5f7f70424ea7b8ba57181c082d415f67 [0,1,0,1,0,0|1,0,0]=3 22043 B13R1.3435 O=C(O)[C@@H]1CC[C@@H]1NCCCCO 1dfdd098c6ecd90a6f97e9a750cebdac [0,1,0,1,0,0|1,0,0]=3 22044 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCF 54aa317a0235bc55aef80783bef80b9b [0,1,0,1,0,0|1,0,0]=3 22045 B13R1.3435 O=C(O)[C@H]1CCN1CCCCCO 8cde0316550f026ad937a61f5f451f34 [0,1,0,1,0,0|1,0,0]=3 22046 B13R1.3435 O=C(O)[C@H]1CCN1CCOCCO 0f41427ac30ccd70a9c23bdddc02553c [0,1,0,1,0,0|2,0,0]=4 22047 B13R1.3435 O=C(O)[C@H]1CC[C@@H]1OCCCCF fb66daaa51048f90d466089ff3ad743f [0,1,0,1,0,0|1,0,0]=3 22048 B13R1.3435 O=CCCCCN1CCC1C(=O)O 298a4798efd5bd620c81b2acaf05ea44 [0,1,0,1,0,0|1,0,1]=4 22049 B13R1.3435 O=CCCCCN1CC[C@@H]1C(=O)O 8b37404ea1e047cc918b8a8c49766a15 [0,1,0,1,0,0|1,0,1]=4 22050 B13R1.3435 O=CCCCCN1CC[C@H]1C(=O)O 4482eb3a59c35d1e394f5e3fe8f7536f [0,1,0,1,0,0|1,0,1]=4 22051 B13R1.3435 O=CCCCN[C@H]1CC[C@H]1C(=O)O abdb2bef6bd24e8e7ba7c31278c42479 [0,1,0,1,0,0|1,0,1]=4 22052 B13R1.3435 O=CCCCOC1CCC1C(=O)O 39704c8630d6b2de2858e80212dd3002 [0,1,0,1,0,0|1,0,1]=4 22053 B13R1.3435 O=CCCCO[C@H]1CC[C@@H]1C(=O)O 6eade964058bc14ce6f43a8597cd96a2 [0,1,0,1,0,0|1,0,1]=4 22054 B13R1.9 CCCCCNC1CCC(=O)NC1 aa6d4ae6e34072841c5f267dea69948e [0,1,0,1,0,0|2,0,0]=4 22055 B13R1.9 CCCCCN[C@@H]1CCC(=O)NC1 4ff22ca94bef6a31dc13357606270f00 [0,1,0,1,0,0|2,0,0]=4 22056 B13R1.9 CCCCCN[C@H]1CCC(=O)NC1 a174415c9c7f5feb3eb09b8f72430ac8 [0,1,0,1,0,0|2,0,0]=4 22057 B13R1.9 CCCCCOC1CCC(=O)CC1 04a9cc175989c8dcbeca635bec1d2baa [0,1,0,1,0,0|2,0,0]=4 22058 B13R1.9 CCCCCOC1CCC(=O)NC1 71bc988beb29f75aa05b2594265adf94 [0,1,0,1,0,0|2,0,0]=4 22059 B13R1.9 CCCCCOC1CCC(=O)OC1 ab02a3b8886117a11c20363b388a403a [0,1,0,1,0,0|1,0,0]=3 22060 B13R1.9 CCCCCO[C@@H]1CCC(=O)NC1 84044d5b7d7821d30cfd127326776d38 [0,1,0,1,0,0|2,0,0]=4 22061 B13R1.9 CCCCCO[C@H]1CCC(=O)NC1 670d55646d7634bfbcd68db23247da2b [0,1,0,1,0,0|2,0,0]=4 22062 B13R1.9 CCCCNCC1CCC(=O)CC1 7373d24c112b3b6266d8c97ed328a353 [0,1,0,1,0,0|2,0,0]=4 22063 B13R1.9 CCCCNCC1CCC(=O)NC1 d99349785792a68b5ecc21b6900f91d9 [0,1,0,1,0,0|2,0,0]=4 22064 B13R1.9 CCCCNCC1CNC(=O)CO1 75c09c2951de1c40c3d8e20636f7ebeb [0,1,0,1,0,0|2,0,0]=4 22065 B13R1.9 CCCCOCC1CCC(=O)CC1 5b6c701b456e8dbcb3bffe532926e29d [0,1,0,1,0,0|2,0,0]=4 22066 B13R1.9 CCCCOCC1CCC(=O)NC1 76dd00c23e97e9d8830f21847d7aadf4 [0,1,0,1,0,0|2,0,0]=4 22067 B13R1.9 CCCCOCC1CNC(=O)CO1 de94592e2e75856dd7b2157c303d0768 [0,1,0,1,0,0|2,0,0]=4 22068 B13R1.9 CCCCOC[C@@H]1CNC(=O)CO1 8a872f0e4b9d7737130ac3fa3e0b6cce [0,1,0,1,0,0|2,0,0]=4 22069 B13R1.9 CCCCOC[C@H]1CNC(=O)CO1 debcf1ab93d7162f16bf83d734f3a18b [0,1,0,1,0,0|2,0,0]=4 22070 B13R1.9 CCCOCCC1CCC(=O)CC1 0e9e33fda7b790b005822e3573b8ea80 [0,1,0,1,0,0|2,0,0]=4 22071 B13R1.9 CCOCCOC1CCC(=O)OC1 55fd9e60b82cfdd827666e0d8421545d [0,1,0,1,0,0|2,0,0]=4 22072 B13R1.9 CCSCCOC1CCC(=O)OC1 32edab3d2c78f47948ff772f66c36e48 [0,1,0,1,0,0|2,0,0]=4 22073 B13R1.9 COCCCOC1CCC(=O)OC1 9dd80b64fd118af9d701a5888880cd17 [0,1,0,1,0,0|2,0,0]=4 22074 B13R1.9 CSCCCOC1CCC(=O)OC1 9d2861dea840e5571d29058611de22dd [0,1,0,1,0,0|2,0,0]=4 22075 B13R1.9 O=C1CCC(CO1)OCCCCF 7884dd47c5d5e640163224df40c3b8b2 [0,1,0,1,0,0|2,0,0]=4 22076 B13R1.16 CCCOCC1CCCC(=O)N1C 0174e0fff5b109abbf232ffdc7d92a2a [0,1,0,1,0,0|2,0,0]=4 22077 B13R1.91 C=C(CN1CCCCC1CC)OC f6aceb7324175d7a1146295b0b2f0284 [0,1,0,1,0,0|2,0,0]=4 22078 B13R1.91 C=C(CN1CCCC[C@@H]1CC)OC 2005187c9a6fe9d065517b0cb4278ff9 [0,1,0,1,0,0|2,0,0]=4 22079 B13R1.91 C=C(CN1CCCC[C@H]1CC)OC 106f143c7f9e57441e5b3d65b2e4e6e8 [0,1,0,1,0,0|2,0,0]=4 22080 B13R1.91 C=C(CO)CN1CCCCC1CC 577e1f89282647614a5ab41980610781 [0,1,0,1,0,0|2,0,0]=4 22081 B13R1.91 C=C(CO)CN1CCCC[C@@H]1CC 39eab1e8952717e9df255aa06ca81460 [0,1,0,1,0,0|2,0,0]=4 22082 B13R1.91 C=C(CO)CN1CCCC[C@H]1CC 995a3b4937535c1fe26dc91a6cdbe7d6 [0,1,0,1,0,0|2,0,0]=4 22083 B13R1.91 CCC(=O)CN1CCCCC1CC 1e5be550c69cf00717f64e9141227746 [0,1,0,1,0,0|2,0,0]=4 22084 B13R1.91 CCC(=O)CN1CCCC[C@@H]1CC b8de90ff68aee2e5c47a8a06a965c5b1 [0,1,0,1,0,0|2,0,0]=4 22085 B13R1.91 CCC(=O)CN1CCCC[C@H]1CC 87944abd185380fc6c6a108c5e31d7ea [0,1,0,1,0,0|2,0,0]=4 22086 B13R1.91 CCC1CCCCN1CC(=O)CO 4f9b9084142e240a6dcb9dd351fcd4ad [0,1,0,1,0,0|1,0,0]=3 22087 B13R1.91 CCC1CCCCN1CC(=O)NC c5def15eac9241fa71dec2167e8ecb9b [0,1,0,1,0,0|2,0,0]=4 22088 B13R1.91 CCC1CCCCN1CC(=O)OC ae57dc92552ff99169616955f8e95c37 [0,1,0,1,0,0|1,0,0]=3 22089 B13R1.91 CCC1COCCC1NC(=O)CO a1d6e64e5ca740a11143cb195c4e0ae0 [0,1,0,1,0,0|2,0,0]=4 22090 B13R1.91 CCC1COCCN1CC(=O)CO c1553e21ca88363d8f2dee59a8f8f40f [0,1,0,1,0,0|2,0,0]=4 22091 B13R1.91 CCC1COCCN1CC(=O)OC 0430235f0a609c89420ac27b816db3e5 [0,1,0,1,0,0|2,0,0]=4 22092 B13R1.91 CCN1CCOCC1CC(=O)OC 3357274196951fb6b2099d660503b6ec [0,1,0,1,0,0|2,0,0]=4 22093 B13R1.91 CCN1CCOC[C@@H]1CC(=O)OC 7a6fb49e72a8e22ec71ef832a7c12225 [0,1,0,1,0,0|2,0,0]=4 22094 B13R1.91 CCN1CCOC[C@H]1CC(=O)OC 373a41bc926fac8439b105c954e2c4e1 [0,1,0,1,0,0|2,0,0]=4 22095 B13R1.91 CC[C@@H]1CCCCN1CC(=O)CO e91a1d6d868c948e4eff2a823f81f93b [0,1,0,1,0,0|1,0,0]=3 22096 B13R1.91 CC[C@@H]1CCCCN1CC(=O)NC 986a1ee18557fcc0bb96395886dc7729 [0,1,0,1,0,0|2,0,0]=4 22097 B13R1.91 CC[C@@H]1CCCCN1CC(=O)OC 50295193b9e1a7467a9f409f4aa6e127 [0,1,0,1,0,0|1,0,0]=3 22098 B13R1.91 CC[C@@H]1COCCN1CC(=O)CO 68a3d428fdd8008ced2c494a7c9e1a51 [0,1,0,1,0,0|2,0,0]=4 22099 B13R1.91 CC[C@@H]1COCCN1CC(=O)OC 7494ccbc623dc8404e71c4105d2d35f1 [0,1,0,1,0,0|2,0,0]=4 22100 B13R1.91 CC[C@H]1CCCCN1CC(=O)CO 2061939cb7b0aadbe82180338e092c70 [0,1,0,1,0,0|1,0,0]=3 22101 B13R1.91 CC[C@H]1CCCCN1CC(=O)NC e7879fa0bbf54035c8e17548335348cf [0,1,0,1,0,0|2,0,0]=4 22102 B13R1.91 CC[C@H]1CCCCN1CC(=O)OC 86af25905e294271b35d9d8e318ef66e [0,1,0,1,0,0|1,0,0]=3 22103 B13R1.91 CC[C@H]1COCCN1CC(=O)CO 16309669da32f9a85d9001fb1aa6c380 [0,1,0,1,0,0|2,0,0]=4 22104 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 9d286a2ccc425df40725583d25c8eedc [0,1,0,1,0,0|2,0,0]=4 22105 B13R1.91 COC(=O)CN1CCCCC1CO 3f3bb7c54f0d1fb0d9d413ec3a7c86b7 [0,1,0,1,0,0|2,0,0]=4 22106 B13R1.91 COC(=O)CN1CCCC[C@@H]1CO b10393410a48d8b2d1bfc3348315272e [0,1,0,1,0,0|2,0,0]=4 22107 B13R1.91 COC(=O)CN1CCCC[C@H]1CO 69ea30c085d8968621c82514d2ded199 [0,1,0,1,0,0|2,0,0]=4 22108 B13R1.91 COC1CCCCC1NC(=O)CO 0dfd2700b8e4c53e761f9162add2328a [0,1,0,1,0,0|2,0,0]=4 22109 B13R1.91 CO[C@H]1CCCC[C@@H]1NC(=O)CO 363e90581fa391ecab2caaa222433a2a [0,1,0,1,0,0|2,0,0]=4 22110 B13R1.91 O=C(CO)CN1CCCCC1CO a2613563d535ed444552b7311b683b90 [0,1,0,1,0,0|2,0,0]=4 22111 B13R1.91 O=C(CO)CN1CCCC[C@@H]1CO 9d65ed92047f10fe7d8b9630eaaf5fe8 [0,1,0,1,0,0|2,0,0]=4 22112 B13R1.91 O=C(CO)CN1CCCC[C@H]1CO ac0095ea295fa967e13baeda9ffb43b1 [0,1,0,1,0,0|2,0,0]=4 22113 B13R1.91 O=C(CO)N[C@@H]1CCCC[C@@H]1CO 7c49a0707a399f3c44d5d5f7b10837ba [0,1,0,1,0,0|2,0,0]=4 22114 B13R1.91 O=C(CO)N[C@@H]1CCCC[C@H]1CO 55289095b2ceabd31a7f5235bf0a9ba5 [0,1,0,1,0,0|2,0,0]=4 22115 B13R1.91 O=C(CO)N[C@H]1CCCC[C@H]1CO 84258fc75f782cf2a9b46066b4a06485 [0,1,0,1,0,0|2,0,0]=4 22116 B13R1.222 COC(=O)CCN1CCC1CCO c42d5a5d5dccc74e1c5f6f41e6400a11 [0,1,0,1,0,0|2,0,0]=4 22117 B13R1.222 COCC1CCN1CCC(=O)OC a754e668a1700f051c4878ab4933b063 [0,1,0,1,0,0|2,0,0]=4 22118 B13R1.222 COC[C@@H]1CCN1CCC(=O)OC 0672b51629fd6a15298a8d21ed77174e [0,1,0,1,0,0|2,0,0]=4 22119 B13R1.222 COC[C@H]1CCN1CCC(=O)OC 9e13a515765d4fbcde028d8e3d7240e0 [0,1,0,1,0,0|2,0,0]=4 22120 B13R1.246 COC[C@@H]1C[C@@H]1NCCC(=O)OC a006fb5ed721dec671863fd500c88277 [0,1,0,1,0,0|2,0,0]=4 22121 B13R1.246 COC[C@H]1C[C@@H]1NCCC(=O)OC c9db448543a847cfb0df16ca193cc315 [0,1,0,1,0,0|2,0,0]=4 22122 B13R1.382 CCCC1COCCN1C(=O)CO 5f5fe9b13773a609756df874213e5199 [0,1,0,1,0,0|2,0,0]=4 22123 B13R1.382 CCCN1CCCCC1C(=O)OC 57da4972a3c6bb5de03a167eb01093c2 [0,1,0,1,0,0|1,0,0]=3 22124 B13R1.382 CCCN1CCCC[C@@H]1C(=O)NC 277bce07d4552161f606d016dafa57af [0,1,0,1,0,0|2,0,0]=4 22125 B13R1.382 CCCN1CCCC[C@@H]1C(=O)OC af1a7095de62bd38f315bfd4db0a3830 [0,1,0,1,0,0|1,0,0]=3 22126 B13R1.382 CCCN1CCCC[C@H]1C(=O)OC 5dc4ad3027270df3149b31972b670bae [0,1,0,1,0,0|1,0,0]=3 22127 B13R1.382 CCCN1CCOCC1C(=O)OC 2cf597e5877ea6b80cf8359f763fea47 [0,1,0,1,0,0|2,0,0]=4 22128 B13R1.382 CCCN1CCOC[C@@H]1C(=O)OC a4b481a65660e62d93a7268e31da41b8 [0,1,0,1,0,0|2,0,0]=4 22129 B13R1.382 CCCN1CCOC[C@H]1C(=O)OC 1ca9e70685be6fab8ba0481000328d9f [0,1,0,1,0,0|2,0,0]=4 22130 B13R1.382 CCN[C@@H]1CCOC[C@@H]1C(=O)OC 34029792dc7c685cef23898ba54b627d [0,1,0,1,0,0|2,0,0]=4 22131 B13R1.382 CCN[C@H]1CCOC[C@H]1C(=O)OC 1cda4a8f2561866865e9e356c70c2df4 [0,1,0,1,0,0|2,0,0]=4 22132 B13R1.382 CCOC1CCCCC1C(=O)OC 8bab1cde308d1c58b828fe2a95f6874d [0,1,0,1,0,0|1,0,0]=3 22133 B13R1.382 CCO[C@@H]1CCCC[C@@H]1C(=O)OC 53802cfd617871f8476bdf431dfd8d1f [0,1,0,1,0,0|1,0,0]=3 22134 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC fd26ef6f320a1df73a0891bc958df153 [0,1,0,1,0,0|1,0,0]=3 22135 B13R1.382 COC(=O)C1CCCCC1OCF 0e8c5c239cce726ab9be0555d951ab58 [0,1,0,1,0,0|2,0,0]=4 22136 B13R1.382 COC(=O)C1CCCCN1CCF fab81a3beb3f379a8e1394a0d74dd23a [0,1,0,1,0,0|2,0,0]=4 22137 B13R1.382 COC(=O)C1CCCCN1CCO 77ed6d6fcfbc279cf1390be8d3f729ec [0,1,0,1,0,0|2,0,0]=4 22138 B13R1.382 COC(=O)C1CCCCN1CCS 5bcb55b67cf6db9eef8abdb64c2742b1 [0,1,0,1,0,0|2,0,0]=4 22139 B13R1.382 COC(=O)C1CCCCN1CSC 20d6b3c0a63daf82736cdc8b0924b3ab [0,1,0,1,0,0|2,0,0]=4 22140 B13R1.382 COC(=O)[C@@H]1CCCCN1CCF 653c7826ebe58676b91465785fc08224 [0,1,0,1,0,0|2,0,0]=4 22141 B13R1.382 COC(=O)[C@@H]1CCCCN1CCO 604507ce103704ee4d727ed054feee37 [0,1,0,1,0,0|2,0,0]=4 22142 B13R1.382 COC(=O)[C@@H]1CCCCN1CCS 0d3e367365ab90ec135132f41b00b3f0 [0,1,0,1,0,0|2,0,0]=4 22143 B13R1.382 COC(=O)[C@@H]1CCCCN1CSC be50abbcd24227ddd257733ffe73a3be [0,1,0,1,0,0|2,0,0]=4 22144 B13R1.382 COC(=O)[C@@H]1CCCC[C@@H]1OCF 422181d5e52ff0ad65472a8dcf9edf56 [0,1,0,1,0,0|2,0,0]=4 22145 B13R1.382 COC(=O)[C@H]1CCCCN1CCF 52ea39e535af1db477c71ec0068d83e3 [0,1,0,1,0,0|2,0,0]=4 22146 B13R1.382 COC(=O)[C@H]1CCCCN1CCO b00cddc4eb4f4d6fa9a15a6269e57533 [0,1,0,1,0,0|2,0,0]=4 22147 B13R1.382 COC(=O)[C@H]1CCCCN1CCS 64e0bcc3e6b66250c6a3d344d38e338b [0,1,0,1,0,0|2,0,0]=4 22148 B13R1.382 COC(=O)[C@H]1CCCCN1CSC 6607a514e1276cea25135596400f5259 [0,1,0,1,0,0|2,0,0]=4 22149 B13R1.382 COC(=O)[C@H]1CCCC[C@H]1OCF 3ab93b29a5d8ac02804190058d75f35d [0,1,0,1,0,0|2,0,0]=4 22150 B13R1.382 COCC1CCCCN1C(=O)CO 61012e5c9bb6827bae19a1150c58598d [0,1,0,1,0,0|2,0,0]=4 22151 B13R1.382 COCN1CCCCC1C(=O)OC 965eed615db520241eb057ef45182ca9 [0,1,0,1,0,0|2,0,0]=4 22152 B13R1.382 COCN1CCCC[C@@H]1C(=O)OC b3c5a27294d1c48c340384e036bfec11 [0,1,0,1,0,0|2,0,0]=4 22153 B13R1.382 COCN1CCCC[C@H]1C(=O)OC 04ddc24f42266fe71b781bbdd571bd2c [0,1,0,1,0,0|2,0,0]=4 22154 B13R1.382 O=C(CO)N1CCCCC1CCCl 0df5b293b3a60ef700bb52ab82e0f3c0 [0,1,0,1,0,0|2,0,0]=4 22155 B13R1.382 O=C(CO)N1CCCCC1CCO 2a298babb57ef33d18cb700cc53436ed [0,1,0,1,0,0|2,0,0]=4 22156 B13R1.382 O=C(CO)N1CCCC[C@@H]1CCO d5fddb3cea90495dbac3ea5734863127 [0,1,0,1,0,0|2,0,0]=4 22157 B13R1.382 O=C(CO)N1CCCC[C@H]1CCO e8b736caf710bc5ab879053103ceb8f1 [0,1,0,1,0,0|2,0,0]=4 22158 B13R1.393 CCCC1SCCN1CC(=O)CO 234acdc3f56d8778a6d786a3953490f2 [0,1,0,1,0,0|2,0,0]=4 22159 B13R1.393 CCCC1SCCN1CC(=O)OC 4d90a5983834c40b6bd43205b9811396 [0,1,0,1,0,0|2,0,0]=4 22160 B13R1.393 COC(=O)CN1CCCC1CCO b3b2737dad886b558bed6066e5345274 [0,1,0,1,0,0|2,0,0]=4 22161 B13R1.393 COC(=O)CN1CCCC1CSC 6dc14a20d2b480e321ec9848fd1a2f1d [0,1,0,1,0,0|2,0,0]=4 22162 B13R1.393 COC(=O)CN1CCC[C@@H]1CCO 31097fb0e1c41ccb71301c6c66467f52 [0,1,0,1,0,0|2,0,0]=4 22163 B13R1.393 COCC1CCCN1CC(=O)CO a0f8eb74fb9bae47f2bdf740093a46f9 [0,1,0,1,0,0|2,0,0]=4 22164 B13R1.393 COCC1CCCN1CC(=O)OC 98ad8c75c5e9edec161014a77c13b637 [0,1,0,1,0,0|2,0,0]=4 22165 B13R1.393 COC[C@@H]1CCCN1CC(=O)CO 698361c2c78f57d1ee4ab8cbde9372d1 [0,1,0,1,0,0|2,0,0]=4 22166 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC e3d9e50655a8607a9586ec654e92d582 [0,1,0,1,0,0|2,0,0]=4 22167 B13R1.393 COC[C@@H]1CCC[C@@H]1NC(=O)CO e03fe301a7e215aee64ab67f83e83d10 [0,1,0,1,0,0|2,0,0]=4 22168 B13R1.393 COC[C@H]1CCCN1CC(=O)CO 921a4ce7a777c14a0d0944364bb65d28 [0,1,0,1,0,0|2,0,0]=4 22169 B13R1.393 COC[C@H]1CCCN1CC(=O)OC 9ccd3a2e84f27ad465806c4bb8de75ad [0,1,0,1,0,0|2,0,0]=4 22170 B13R1.393 COC[C@H]1CCC[C@H]1NC(=O)CO a815908e041b664b3a9654e5f771a3d2 [0,1,0,1,0,0|2,0,0]=4 22171 B13R1.393 CSCC1CCCN1CC(=O)CO 6f4e2b3982e6482aaf51612d4683a6ce [0,1,0,1,0,0|2,0,0]=4 22172 B13R1.393 O=C(CO)CN1CCCC1CCO 0e0fcd1eaf778cb3936dbe14bd24b8c1 [0,1,0,1,0,0|2,0,0]=4 22173 B13R1.393 O=C(CO)CN1CCC[C@@H]1CCO 0fa95624f6f71a2e06e367c14bacf118 [0,1,0,1,0,0|2,0,0]=4 22174 B13R1.527 C=C(CN1CCCCCC1C)OC a00b42fec9c090211ecf3f7cc134f48d [0,1,0,1,0,0|2,0,0]=4 22175 B13R1.527 C=C(CO)CN1CCCCCC1C bd7bc26fc87e61bbad0b72e3e6acd93f [0,1,0,1,0,0|2,0,0]=4 22176 B13R1.527 CC1CCCCCN1CC(=O)CO 83e60b6fd7fd53b97320fc3da2c37e5f [0,1,0,1,0,0|1,0,0]=3 22177 B13R1.527 CC1CCOCCN1CC(=O)CO b0048f36cca683b05c68f21652c97cfd [0,1,0,1,0,0|2,0,0]=4 22178 B13R1.527 CC1CCSCCN1CC(=O)CO 73a4a47cb21cdcd6c39e994dbd419f7c [0,1,0,1,0,0|2,0,0]=4 22179 B13R1.527 CC1COCCCN1CC(=O)CO ca71cf28e2ea4f7547a0857b3570d876 [0,1,0,1,0,0|2,0,0]=4 22180 B13R1.527 CCC(=O)CN1CCCCCC1C 21daf9287b999e6d55f04b7a57c5847f [0,1,0,1,0,0|2,0,0]=4 22181 B13R1.527 CNC(=O)CN1CCCCCC1C ecd93b3f59a4e871032751b305983c8c [0,1,0,1,0,0|2,0,0]=4 22182 B13R1.527 COC(=O)CN1CCCCCC1C d64d1c75b896111b8b52ec537bb7628e [0,1,0,1,0,0|1,0,0]=3 22183 B13R1.527 COC(=O)CN1CCCOCC1C b71fe3249375c1ba37149911abf63893 [0,1,0,1,0,0|2,0,0]=4 22184 B13R1.527 COC(=O)CN1CCOCCC1C 88f40f60b878d5fb2c6aa3f22e684ab3 [0,1,0,1,0,0|2,0,0]=4 22185 B13R1.527 COC(=O)CN1CCSCCC1C 77b74f243a06ef2b059a409fff9eee55 [0,1,0,1,0,0|2,0,0]=4 22186 B13R1.527 O=C(CO)N[C@@H]1CCCCC[C@@H]1O ce767c08be9c1a23c934000aaa1243e4 [0,1,0,1,0,0|2,0,0]=4 22187 B13R1.527 O=C(CO)N[C@@H]1CCCCC[C@H]1O 051ed940ba5a850d46ca77cb513f732e [0,1,0,1,0,0|2,0,0]=4 22188 B13R1.527 O=C(CO)N[C@H]1CCCCC[C@@H]1O e04f8e46d9db127eb97a47dd626a3358 [0,1,0,1,0,0|2,0,0]=4 22189 B13R1.528 C#CC(=O)NCC1CCCCC1C bfabe9bfd5cec3b4b9f5b23656d23ad8 [0,1,0,1,0,0|2,0,0]=4 22190 B13R1.528 C=C(CNC1CCCCC1C)OC f84d3e3a9a010646b5283170453180c1 [0,1,0,1,0,0|2,0,0]=4 22191 B13R1.528 C=C(CN[C@@H]1CCCC[C@@H]1C)OC aef797001f80bd1af27d30ab0e291cb3 [0,1,0,1,0,0|2,0,0]=4 22192 B13R1.528 C=C(CN[C@@H]1CCCC[C@H]1C)OC a784c6d8b1d5b1c8e1ec579095f7ae73 [0,1,0,1,0,0|2,0,0]=4 22193 B13R1.528 C=C(CN[C@H]1CCCC[C@@H]1C)OC 7567f0317a869d587ff2afae12648882 [0,1,0,1,0,0|2,0,0]=4 22194 B13R1.528 C=C(CN[C@H]1CCCC[C@H]1C)OC 7c889fb002383ff6131934f78fb6a71d [0,1,0,1,0,0|2,0,0]=4 22195 B13R1.528 C=C(CO)CNC1CCCCC1C 1172390d951b87c66c62f361000b05f6 [0,1,0,1,0,0|2,0,0]=4 22196 B13R1.528 C=C(CO)CN[C@@H]1CCCC[C@@H]1C 30e43adf90a3770890dbdd0cbdac3867 [0,1,0,1,0,0|2,0,0]=4 22197 B13R1.528 C=C(CO)CN[C@@H]1CCCC[C@H]1C 83c65f763bf9e9aae8944d1a09488d91 [0,1,0,1,0,0|2,0,0]=4 22198 B13R1.528 C=C(CO)CN[C@H]1CCCC[C@@H]1C 09c4275404226d63ef902e73b8c2e5be [0,1,0,1,0,0|2,0,0]=4 22199 B13R1.528 C=C(CO)CN[C@H]1CCCC[C@H]1C b33698477a6b4b7c85d1e546892ae404 [0,1,0,1,0,0|2,0,0]=4 22200 B13R1.528 C=C(COC1CCCCC1C)OC 126ecd7db2a9825abce632d8119cf25e [0,1,0,1,0,0|2,0,0]=4 22201 B13R1.528 C=C(CO[C@@H]1CCCC[C@@H]1C)OC 54236f281b84f41f9c6056e80f783dc9 [0,1,0,1,0,0|2,0,0]=4 22202 B13R1.528 C=C(CO[C@H]1CCCC[C@@H]1C)OC b6f0143cf20649a5ead79b339d33fe85 [0,1,0,1,0,0|2,0,0]=4 22203 B13R1.528 C=C(CO[C@H]1CCCC[C@H]1C)OC 757a162929b88204f52098d39171441b [0,1,0,1,0,0|2,0,0]=4 22204 B13R1.528 C=CC(=O)NCC1CCCCC1C eddabd72fcc374a904c009105986aaaf [0,1,0,1,0,0|2,0,0]=4 22205 B13R1.528 CC1CCCCC1CNC(=O)C=O a22f10e7961dffb498f85c1e87f67e5c [0,1,0,1,0,0|1,0,1]=4 22206 B13R1.528 CC1CCCCC1CNC(=O)CF f3a7719750f0cf64b658939eb2774e93 [0,1,0,1,0,0|2,0,0]=4 22207 B13R1.528 CC1CCCCC1CNC(=O)CO 8075fa3420ab61d1d9e533cffc97d11a [0,1,0,1,0,0|1,0,0]=3 22208 B13R1.528 CC1CCCCC1CNC(=O)CS fe0ae415d062ba81441433acde22b749 [0,1,0,1,0,0|1,1,0]=4 22209 B13R1.528 CC1CCCCC1NCC(=O)CO 515a416376d38c107a574e9829824a90 [0,1,0,1,0,0|1,0,0]=3 22210 B13R1.528 CC1COCCC1NCC(=O)CO d50343ebfe427bc635f8c1db66ccca73 [0,1,0,1,0,0|2,0,0]=4 22211 B13R1.528 CCC(=O)CNC1CCCCC1C dad1d1219e4b131b5a9962d0421ae55f [0,1,0,1,0,0|2,0,0]=4 22212 B13R1.528 CCC(=O)CN[C@@H]1CCCC[C@@H]1C cb8525290be28b2ade73c0a3e98a21c2 [0,1,0,1,0,0|2,0,0]=4 22213 B13R1.528 CCC(=O)CN[C@@H]1CCCC[C@H]1C 9b2c349bf4f994ac12f9f2a2f16dd85a [0,1,0,1,0,0|2,0,0]=4 22214 B13R1.528 CCC(=O)CN[C@H]1CCCC[C@@H]1C df70879bc1de366c861c848a84d652b3 [0,1,0,1,0,0|2,0,0]=4 22215 B13R1.528 CCC(=O)CN[C@H]1CCCC[C@H]1C 15381501225527111243a4f5021ce61a [0,1,0,1,0,0|2,0,0]=4 22216 B13R1.528 CCC(=O)COC1CCCCC1C cc27aec26f20c9aadd93bdd49fcc4a34 [0,1,0,1,0,0|2,0,0]=4 22217 B13R1.528 CCC(=O)CO[C@@H]1CCCC[C@@H]1C 001e0d616c76b1587e7c6f67acec7ac5 [0,1,0,1,0,0|2,0,0]=4 22218 B13R1.528 CCC(=O)CO[C@H]1CCCC[C@@H]1C bd27f1550fa9ac605be8b47598117e22 [0,1,0,1,0,0|2,0,0]=4 22219 B13R1.528 CCC(=O)CO[C@H]1CCCC[C@H]1C a0d1a6839583a82632fdb728a560eb81 [0,1,0,1,0,0|2,0,0]=4 22220 B13R1.528 CCC(=O)NCC1CCCCC1C 9d00a1ed14ce7970e3d353c5132bcfa1 [0,1,0,1,0,0|2,0,0]=4 22221 B13R1.528 CN1CCCCC1CNC(=O)CO 2bc632b7041e80f0edf3b3d38341199b [0,1,0,1,0,0|2,0,0]=4 22222 B13R1.528 CNC(=O)CCN1CCCCC1C e4934d3dadd9321aa333a6df98616a1a [0,1,0,1,0,0|2,0,0]=4 22223 B13R1.528 CNC(=O)CCN1CCCC[C@@H]1C 26fc7deb1b2972745349c1a2ffd239a1 [0,1,0,1,0,0|2,0,0]=4 22224 B13R1.528 CNC(=O)CCN1CCCC[C@H]1C 3e7c327a4f377b18b9817466644f06b4 [0,1,0,1,0,0|2,0,0]=4 22225 B13R1.528 CNC(=O)CNC1CCCCC1C 4f3ef3634ccef443a87d3d9067aedc7f [0,1,0,1,0,0|2,0,0]=4 22226 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@@H]1C 7d76627379b5d720f505c982253798e8 [0,1,0,1,0,0|2,0,0]=4 22227 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1C 9c915867e49010728911727e2108995d [0,1,0,1,0,0|2,0,0]=4 22228 B13R1.528 CNC(=O)CN[C@H]1CCCC[C@@H]1C cee68da9c778a9194ce435d73db5daab [0,1,0,1,0,0|2,0,0]=4 22229 B13R1.528 CNC(=O)CN[C@H]1CCCC[C@H]1C eb09fbc9320904bed9d464b1deeaee95 [0,1,0,1,0,0|2,0,0]=4 22230 B13R1.528 CNC(=O)COC1CCCCC1C 3fda38fe3d181313c75a764e5a600450 [0,1,0,1,0,0|2,0,0]=4 22231 B13R1.528 CNC(=O)CO[C@@H]1CCCC[C@@H]1C 78de5f390efcededa13e43a06744fb7f [0,1,0,1,0,0|2,0,0]=4 22232 B13R1.528 CNC(=O)CO[C@H]1CCCC[C@@H]1C 2ff71c62f2ae0a8b97f5611ee43feba4 [0,1,0,1,0,0|2,0,0]=4 22233 B13R1.528 CNC(=O)CO[C@H]1CCCC[C@H]1C 03dc0c17dc9515c2acd1c97c693321c4 [0,1,0,1,0,0|2,0,0]=4 22234 B13R1.528 COC(=O)CCN1CCCCC1C ef8c98f2f34f940a739ee3de8f03b8cf [0,1,0,1,0,0|1,0,0]=3 22235 B13R1.528 COC(=O)CCN1CCCC[C@@H]1C c488d3543a40e6300a50858ebd6e1dc2 [0,1,0,1,0,0|1,0,0]=3 22236 B13R1.528 COC(=O)CCN1CCCC[C@H]1C 58a42fb055e141f7db8424589aab1652 [0,1,0,1,0,0|1,0,0]=3 22237 B13R1.528 COC(=O)CCN1CCOCC1C d7954d04f2918fca49db797d50c26eae [0,1,0,1,0,0|2,0,0]=4 22238 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C dfb77d9712f10e1657ae6328739016db [0,1,0,1,0,0|2,0,0]=4 22239 B13R1.528 COC(=O)CCN1CCOC[C@H]1C 217177d477f3d3c74f644954d861787f [0,1,0,1,0,0|2,0,0]=4 22240 B13R1.528 COC(=O)CNC1CCCCC1C 35a184b111497c6de6452d16ee326255 [0,1,0,1,0,0|1,0,0]=3 22241 B13R1.528 COC(=O)CNC1CCCCC1F 75b78784db9a9315213cf71afea87339 [0,1,0,1,0,0|2,0,0]=4 22242 B13R1.528 COC(=O)CNC1CCCCC1O b50a4ff1d08e36ad73b39c80cc9f40d8 [0,1,0,1,0,0|2,0,0]=4 22243 B13R1.528 COC(=O)CNC1CCOCC1C bbe8ca04d06208267f810c8523726944 [0,1,0,1,0,0|2,0,0]=4 22244 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@@H]1C 0a7ce6f2abd603141199bba264a9e621 [0,1,0,1,0,0|1,0,0]=3 22245 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1C 644767dc0ca5abaae7e2159873358be7 [0,1,0,1,0,0|1,0,0]=3 22246 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1O b56b20e2a515a6ca4bd229acf08e592e [0,1,0,1,0,0|2,0,0]=4 22247 B13R1.528 COC(=O)CN[C@@H]1CCOC[C@@H]1C 9803f4c21b7fbdb60156f5abc1f55e1f [0,1,0,1,0,0|2,0,0]=4 22248 B13R1.528 COC(=O)CN[C@H]1CCCC[C@@H]1C 729b9c55193cef1ba96c140e08e164fc [0,1,0,1,0,0|1,0,0]=3 22249 B13R1.528 COC(=O)CN[C@H]1CCCC[C@@H]1O 321b7a5012c00985256995e0c854605a [0,1,0,1,0,0|2,0,0]=4 22250 B13R1.528 COC(=O)CN[C@H]1CCCC[C@H]1C e3890e74e6d11e455205c25a189e97aa [0,1,0,1,0,0|1,0,0]=3 22251 B13R1.528 COC(=O)CN[C@H]1CCCC[C@H]1O 648f1866a78451f91430fb180ae39e35 [0,1,0,1,0,0|2,0,0]=4 22252 B13R1.528 COC(=O)CN[C@H]1CCOC[C@H]1C 7a145b4c936885313d99dfc12f7c4392 [0,1,0,1,0,0|2,0,0]=4 22253 B13R1.528 COC(=O)COC1CCCCC1C b74de9510a00a985e674edd292923b4f [0,1,0,1,0,0|1,0,0]=3 22254 B13R1.528 COC(=O)COC1CCCCC1F 020e4e75821d7fe65ef19dff721e2953 [0,1,0,1,0,0|2,0,0]=4 22255 B13R1.528 COC(=O)COC1CCOCC1C f31145225f89d95cd86ad4297ac41c41 [0,1,0,1,0,0|2,0,0]=4 22256 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@@H]1C e67e19786db9771ad0a8cf07b41d6b3e [0,1,0,1,0,0|1,0,0]=3 22257 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 5e925eee87a60e3cdc1621ec17aa1921 [0,1,0,1,0,0|2,0,0]=4 22258 B13R1.528 COC(=O)CO[C@H]1CCCC[C@@H]1C 06c191f546ddb7e0ac5a03f84a4e57ea [0,1,0,1,0,0|1,0,0]=3 22259 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1C 00bb601598a60bdb0cfce4a3b75d221e [0,1,0,1,0,0|1,0,0]=3 22260 B13R1.528 COC(=O)OCN1CCCCC1C 17d16b29865ff1db54f7e1345182fc7d [0,1,0,1,0,0|2,0,0]=4 22261 B13R1.528 COC(=O)OCN1CCCC[C@@H]1C a2371ec80aa38e01b37c6ad9f788c0db [0,1,0,1,0,0|2,0,0]=4 22262 B13R1.528 COC(=O)OCN1CCCC[C@H]1C 712a9feba74b66c53a277d22ab301d05 [0,1,0,1,0,0|2,0,0]=4 22263 B13R1.528 C[C@@H]1CCCC[C@@H]1NCC(=O)CO 4a3c1570a6acd3a7e2198011b775acc0 [0,1,0,1,0,0|1,0,0]=3 22264 B13R1.528 C[C@@H]1CCCC[C@@H]1NCC(=O)NO 44a1edb334c8f2819c89854c5b49a5b6 [0,1,0,1,0,0|1,0,0]=3 22265 B13R1.528 C[C@@H]1CCCC[C@H]1NCC(=O)CO dfd067c88ebdb0cff3596eca54ac99ee [0,1,0,1,0,0|1,0,0]=3 22266 B13R1.528 C[C@@H]1COCC[C@@H]1NCC(=O)CO 0b698b8d54a8fe1c96a155fc5775bc28 [0,1,0,1,0,0|2,0,0]=4 22267 B13R1.528 C[C@H]1CCCC[C@@H]1NCC(=O)CO 14fcf562b3b407bb45ddff2d1b2d9305 [0,1,0,1,0,0|1,0,0]=3 22268 B13R1.528 C[C@H]1CCCC[C@H]1NCC(=O)CO fe0249ebd13b615bfb615dece8775f1e [0,1,0,1,0,0|1,0,0]=3 22269 B13R1.528 C[C@H]1COCC[C@H]1NCC(=O)CO f094d1814a82ab1db4b58d586cda3207 [0,1,0,1,0,0|2,0,0]=4 22270 B13R1.528 O=C(CNC1CCCCC1F)NO 9a599702a394c7cfcb300f331557e8dd [0,1,0,1,0,0|2,0,0]=4 22271 B13R1.528 O=C(CO)CNC1CCCCC1O 94236943a3cccf68d8d821939270bb01 [0,1,0,1,0,0|2,0,0]=4 22272 B13R1.528 O=C(CO)CN[C@@H]1CCCC[C@H]1O a6e0522c2c1e317112949ed6c6c7df4b [0,1,0,1,0,0|2,0,0]=4 22273 B13R1.528 O=C(CO)CN[C@H]1CCCC[C@@H]1O 199174dbe5aa6bf7dd5123f9694a5696 [0,1,0,1,0,0|2,0,0]=4 22274 B13R1.528 O=C(CO)CN[C@H]1CCCC[C@H]1O bd96bd03dfcb51302c631f30d7170ffd [0,1,0,1,0,0|2,0,0]=4 22275 B13R1.528 O=C(CO)NCC1CCCCC1O 0bba8dd218ef8873b5272978ec075e07 [0,1,0,1,0,0|2,0,0]=4 22276 B13R1.536 C#CC(=O)NCCCC1CCCC1 b2a904357e99f71f716f419e8a265cf5 [0,1,0,1,0,0|2,0,0]=4 22277 B13R1.536 C=C(C=O)OCCCC1CCCC1 fbfe3b950866f2b2e8ba7d40425347fc [0,1,0,1,0,0|2,0,0]=4 22278 B13R1.536 C=C(CNCCC1CCCC1)OC b75e73bb23150882f33cc47e83f5698c [0,1,0,1,0,0|2,0,0]=4 22279 B13R1.536 C=C(CO)CNCCC1CCCC1 f7c73c987987179d83c3853067ada215 [0,1,0,1,0,0|2,0,0]=4 22280 B13R1.536 C=C(COCCC1CCCC1)OC 913f3e25b8784090bf5a6760281b3872 [0,1,0,1,0,0|2,0,0]=4 22281 B13R1.536 C=CC(=O)CCCNC1CCCC1 66419843a51fccc64699882186064d38 [0,1,0,1,0,0|2,0,0]=4 22282 B13R1.536 C=CC(=O)CCCOC1CCCC1 9b953606d204257aa72b54bd161ece73 [0,1,0,1,0,0|2,0,0]=4 22283 B13R1.536 C=CC(=O)NCCCC1CCCC1 ccc238daee6d1b24fa3b1b7b7cb0c0b4 [0,1,0,1,0,0|2,0,0]=4 22284 B13R1.536 CCC(=O)CNCCC1CCCC1 10bd3f23e78c409f2830920821f616a9 [0,1,0,1,0,0|2,0,0]=4 22285 B13R1.536 CCC(=O)COCCC1CCCC1 22b9519c3f202e7018092280eb6134f5 [0,1,0,1,0,0|2,0,0]=4 22286 B13R1.536 CCC(=O)NCCCC1CCCC1 78401252e8e9003b046e46509e85fda0 [0,1,0,1,0,0|2,0,0]=4 22287 B13R1.536 CNC(=O)CCCNC1CCCC1 2030f50a7098a624bd5b51135c6fb471 [0,1,0,1,0,0|2,0,0]=4 22288 B13R1.536 CNC(=O)CCCOC1CCCC1 f4c53951d4bcc2e95e08216c8040985a [0,1,0,1,0,0|2,0,0]=4 22289 B13R1.536 CNC(=O)CCNCC1CCCC1 fe3d4e08dd0ee1fc2723abd33e708936 [0,1,0,1,0,0|2,0,0]=4 22290 B13R1.536 CNC(=O)CCOCC1CCCC1 b8d7a05301068dd25e2855f665885933 [0,1,0,1,0,0|2,0,0]=4 22291 B13R1.536 CNC(=O)CNCCC1CCCC1 2719d451d869f52f52f4dab22cc60491 [0,1,0,1,0,0|2,0,0]=4 22292 B13R1.536 CNC(=O)COCCC1CCCC1 38f16741f6abeca1f32bd50b37195dda [0,1,0,1,0,0|2,0,0]=4 22293 B13R1.536 COC(=O)CCCCN1CCSC1 cf79f3645d0eb5e85b05ef38460cde11 [0,1,0,1,0,0|2,0,0]=4 22294 B13R1.536 COC(=O)CCCNC1CCCC1 fb27b4f2cace7bcb75b18112e01b2f90 [0,1,0,1,0,0|1,0,0]=3 22295 B13R1.536 COC(=O)CCCNC1CCOC1 aa6a93f184fc8542b41588cf2a0a04db [0,1,0,1,0,0|2,0,0]=4 22296 B13R1.536 COC(=O)CCCNC1CCSC1 8eb2d3d59adbfdee0f9017a73cc23732 [0,1,0,1,0,0|2,0,0]=4 22297 B13R1.536 COC(=O)CCCN[C@@H]1CCOC1 8f0749533ed3387517507d95b438b1e2 [0,1,0,1,0,0|2,0,0]=4 22298 B13R1.536 COC(=O)CCCN[C@H]1CCOC1 00411ef83d2ea11d6af16473c588559b [0,1,0,1,0,0|2,0,0]=4 22299 B13R1.536 COC(=O)CCCOC1CCCC1 e281d07653fa6ff34a38dcfdd8729264 [0,1,0,1,0,0|1,0,0]=3 22300 B13R1.536 COC(=O)CCCOC1CCCO1 8edfb276da38ed9677ec238845090294 [0,1,0,1,0,0|2,0,0]=4 22301 B13R1.536 COC(=O)CCCOC1CCOC1 579d2b494bce076e4fc56649e8f66644 [0,1,0,1,0,0|2,0,0]=4 22302 B13R1.536 COC(=O)CCCOC1CCSC1 7f0c365baf8cbbdc56a2a53c842b743b [0,1,0,1,0,0|2,0,0]=4 22303 B13R1.536 COC(=O)CCCO[C@@H]1CCOC1 b0a6764862741fccae03b466b8d45718 [0,1,0,1,0,0|2,0,0]=4 22304 B13R1.536 COC(=O)CCCO[C@@H]1CCSC1 5199b93d0a38a840aca8c247f5fe36e2 [0,1,0,1,0,0|2,0,0]=4 22305 B13R1.536 COC(=O)CCCO[C@H]1CCOC1 16e0ea352f2ecee7d615e4bbfca61560 [0,1,0,1,0,0|2,0,0]=4 22306 B13R1.536 COC(=O)CCCO[C@H]1CCSC1 da823c326f212b0cc58864a28dd1e1cd [0,1,0,1,0,0|2,0,0]=4 22307 B13R1.536 COC(=O)CCNCC1CCCC1 4ce0c551e9742886e1ddf2fb0ba881ec [0,1,0,1,0,0|1,0,0]=3 22308 B13R1.536 COC(=O)CCNCC1CCCO1 b3731e64a703520ea8be26fa6353279a [0,1,0,1,0,0|2,0,0]=4 22309 B13R1.536 COC(=O)CCNCC1CCOC1 f5017a82830a386c2643b753bbc894ec [0,1,0,1,0,0|2,0,0]=4 22310 B13R1.536 COC(=O)CCNC[C@@H]1CCCO1 8029bbd90a230a13789b1246f6454418 [0,1,0,1,0,0|2,0,0]=4 22311 B13R1.536 COC(=O)CCNC[C@@H]1CCOC1 c95257dce9559d0e04f21e4287e0cefe [0,1,0,1,0,0|2,0,0]=4 22312 B13R1.536 COC(=O)CCNC[C@H]1CCCO1 b1ae8fc053bf28586746aba29001ef9d [0,1,0,1,0,0|2,0,0]=4 22313 B13R1.536 COC(=O)CCNC[C@H]1CCOC1 65c2c1663915ccd00c36549fa3f767d2 [0,1,0,1,0,0|2,0,0]=4 22314 B13R1.536 COC(=O)CCOCC1CCCC1 678ac4ada82616416b992d05fa3309a0 [0,1,0,1,0,0|1,0,0]=3 22315 B13R1.536 COC(=O)CCOCC1CCCO1 b5fc66bc8120f12da3df044fdab4d62e [0,1,0,1,0,0|2,0,0]=4 22316 B13R1.536 COC(=O)CCOCC1CCCS1 28aaf7fb8583b4884524f1338144a848 [0,1,0,1,0,0|2,0,0]=4 22317 B13R1.536 COC(=O)CCOCC1CCOC1 dae87900ac410fd13c49a0830ea1bcc9 [0,1,0,1,0,0|2,0,0]=4 22318 B13R1.536 COC(=O)CCOCN1CCCC1 8ca82fdc61d3206bcc7a1df8dfddad55 [0,1,0,1,0,0|2,0,0]=4 22319 B13R1.536 COC(=O)CCOC[C@@H]1CCCO1 e02dee49ef963df2c38e0d8c4382b4f6 [0,1,0,1,0,0|2,0,0]=4 22320 B13R1.536 COC(=O)CCOC[C@@H]1CCOC1 ddc908b2851bba1ed9edf063d9e35c53 [0,1,0,1,0,0|2,0,0]=4 22321 B13R1.536 COC(=O)CCOC[C@H]1CCCO1 ec65943fb63d332a6702c29e6efbcf67 [0,1,0,1,0,0|2,0,0]=4 22322 B13R1.536 COC(=O)CCOC[C@H]1CCOC1 72c722641bb987d2bad0b45cad06f43a [0,1,0,1,0,0|2,0,0]=4 22323 B13R1.536 COC(=O)CNCCC1CCCC1 d704458319e121d6785c855931198dc9 [0,1,0,1,0,0|1,0,0]=3 22324 B13R1.536 COC(=O)CNCCC1CCCO1 daf775f62d5a9ce47c354d786303b617 [0,1,0,1,0,0|2,0,0]=4 22325 B13R1.536 COC(=O)CNCCC1CCOC1 66cee982110a605757a1f99173bb3782 [0,1,0,1,0,0|2,0,0]=4 22326 B13R1.536 COC(=O)CNCCN1CCCC1 07dc9545741bf8ce3b0bef3609dfc8cf [0,1,0,1,0,0|2,0,0]=4 22327 B13R1.536 COC(=O)COCCC1CCCC1 3d0325bdfaa6d6afbc7c793e9373cc4b [0,1,0,1,0,0|1,0,0]=3 22328 B13R1.536 COC(=O)COCCC1CCCO1 b47136842ef36247c1a34ebb89226889 [0,1,0,1,0,0|2,0,0]=4 22329 B13R1.536 COC(=O)COCCC1CCOC1 8b450fe2717102943c825abd6fe9421f [0,1,0,1,0,0|2,0,0]=4 22330 B13R1.536 COC(=O)COCCN1CCCC1 9ffef3789bd03a52b175d77d01eb053f [0,1,0,1,0,0|2,0,0]=4 22331 B13R1.536 COC(=O)OCCOC1CCCC1 8245b0eebfed04bf29305a216a53b9a5 [0,1,0,1,0,0|2,0,0]=4 22332 B13R1.536 COC(=O)OCNCC1CCCC1 d81bd9cc4820327f55216c82a8525d0f [0,1,0,1,0,0|2,0,0]=4 22333 B13R1.536 COC(=O)OCOCC1CCCC1 73e8bba55c9ac7ef8688d75d4f23f999 [0,1,0,1,0,0|2,0,0]=4 22334 B13R1.536 O=C(CCNCC1CCCC1)NO ad1a90ce6ed67562aae26f03ed251a53 [0,1,0,1,0,0|1,0,0]=3 22335 B13R1.536 O=C(CCNCC1CCCO1)NO aa4d32903f0a3e3bafc433fecc5c0208 [0,1,0,1,0,0|2,0,0]=4 22336 B13R1.536 O=C(CCNCC1CCOC1)NO ce5cc01906d13e0e7184a179dad51c4c [0,1,0,1,0,0|2,0,0]=4 22337 B13R1.536 O=C(CF)NCCCC1CCCC1 0085f8bf9bf7b98e23dd2fea743400e8 [0,1,0,1,0,0|2,0,0]=4 22338 B13R1.536 O=C(CNCCC1CCCC1)NO dfafe284666fdaeecc97b27c2f0c2446 [0,1,0,1,0,0|1,0,0]=3 22339 B13R1.536 O=C(CNCCC1CCCO1)NO 7aa86a8787c5042a3e8328890a48424d [0,1,0,1,0,0|2,0,0]=4 22340 B13R1.536 O=C(CNCCC1CCOC1)NO e3f11c2faf525198ee3858ae1ad48a90 [0,1,0,1,0,0|2,0,0]=4 22341 B13R1.536 O=C(CNCCN1CCCC1)NO eb6f20f80769f03b1b8621a7e173111f [0,1,0,1,0,0|2,0,0]=4 22342 B13R1.536 O=C(CO)CNCCC1CCCC1 fa9c4b1a1f4ec3d9aee2eb77e63d6675 [0,1,0,1,0,0|1,0,0]=3 22343 B13R1.536 O=C(CO)CNCCC1CCCO1 8106e4ebe7273f1c169f8f83594f7750 [0,1,0,1,0,0|2,0,0]=4 22344 B13R1.536 O=C(CO)CNCCC1CCOC1 72cdecefd7c1170fe2fca1e2f157e22e [0,1,0,1,0,0|2,0,0]=4 22345 B13R1.536 O=C(CO)CNCCN1CCCC1 7a18da9093c599c128bab64bf940d5cf [0,1,0,1,0,0|2,0,0]=4 22346 B13R1.536 O=C(CO)NCCCC1CCCC1 efd762021c6fe3598c876cd3d926d26c [0,1,0,1,0,0|1,0,0]=3 22347 B13R1.536 O=C(CO)NCCCC1CCOC1 6a393698f03b75edabd0c1fae7698906 [0,1,0,1,0,0|2,0,0]=4 22348 B13R1.536 O=C(CO)NCCCN1CCCC1 09e7a17a6a23f46a0b4770baa52211bb [0,1,0,1,0,0|2,0,0]=4 22349 B13R1.536 O=C(CO)NCCOC1CCCC1 aa6c00830fa862a103b6ceb37b273737 [0,1,0,1,0,0|2,0,0]=4 22350 B13R1.536 O=C(CO)NCCSC1CCCC1 6c0a25f5aac7fbb0f6867c2930299abd [0,1,0,1,0,0|2,0,0]=4 22351 B13R1.536 O=C(CS)NCCCC1CCCC1 137d7fd6501e63242371a4623d1e4fc9 [0,1,0,1,0,0|1,1,0]=4 22352 B13R1.536 O=CC(=O)NCCCC1CCCC1 ac274ff09629633ac80ff9e1ab27309a [0,1,0,1,0,0|1,0,1]=4 22353 B13R1.539 C=C(COCCCC1CCC1)OC 17c706ed7e566c0a1edbc0f557b97131 [0,1,0,1,0,0|2,0,0]=4 22354 B13R1.539 C=CC(=O)CCCNCC1CCC1 6caee1e762ff3ba2b92a913254a3618a [0,1,0,1,0,0|2,0,0]=4 22355 B13R1.539 C=CC(=O)CCCOCC1CCC1 9b805c96aaf84e59ac3057ed1b8a2071 [0,1,0,1,0,0|2,0,0]=4 22356 B13R1.539 CCC(=O)CCCCNC1CCC1 9883fbb16a5982790f94596e77246176 [0,1,0,1,0,0|2,0,0]=4 22357 B13R1.539 CCC(=O)CCCCOC1CCC1 6b686b30d5c8a8d2e8e668e038b5a208 [0,1,0,1,0,0|2,0,0]=4 22358 B13R1.539 CCC(=O)COCCCC1CCC1 5d2ab884646570a26c0e8241bb967b77 [0,1,0,1,0,0|2,0,0]=4 22359 B13R1.539 CNC(=O)CCCNCC1CCC1 eef7ee234e2b1f0b4e63598fe46589d3 [0,1,0,1,0,0|2,0,0]=4 22360 B13R1.539 CNC(=O)CCCOCC1CCC1 4883fc82e30923f17a344dce90d0c9a2 [0,1,0,1,0,0|2,0,0]=4 22361 B13R1.539 CNC(=O)CCNCCC1CCC1 fdbb7c9d540661ad187007b0d4cda552 [0,1,0,1,0,0|2,0,0]=4 22362 B13R1.539 CNC(=O)CCOCCC1CCC1 031bcc2e9ed0c447cb870e7f7d72ff55 [0,1,0,1,0,0|2,0,0]=4 22363 B13R1.539 CNC(=O)COCCCC1CCC1 9781185e8713f1f8f6898685893372da [0,1,0,1,0,0|2,0,0]=4 22364 B13R1.539 COC(=O)CCCCCN1CCC1 5b935425eb9bf7bb109dc60df8cb2b54 [0,1,0,1,0,0|1,0,0]=3 22365 B13R1.539 COC(=O)CCCCNC1CCC1 e589182e9d4fd70f1509d8934205f806 [0,1,0,1,0,0|1,0,0]=3 22366 B13R1.539 COC(=O)CCCCNC1COC1 0e7645bbfed78f6656a28844a017165c [0,1,0,1,0,0|2,0,0]=4 22367 B13R1.539 COC(=O)CCCCOC1CCC1 c848757f11634e65b1417a5f755cbd36 [0,1,0,1,0,0|1,0,0]=3 22368 B13R1.539 COC(=O)CCCCOC1COC1 f358a00a3c6304dca6afe67ede6cefd4 [0,1,0,1,0,0|2,0,0]=4 22369 B13R1.539 COC(=O)CCCCOC1CSC1 6401e5031a6805d712e5fb3a8614b1a5 [0,1,0,1,0,0|2,0,0]=4 22370 B13R1.539 COC(=O)CCCNCC1CCC1 41512d18de8f66e0bb22982c6d90b87d [0,1,0,1,0,0|1,0,0]=3 22371 B13R1.539 COC(=O)CCCNCC1CCO1 9d193f59c2f91cd969de2f68c60fc21b [0,1,0,1,0,0|2,0,0]=4 22372 B13R1.539 COC(=O)CCCNCC1COC1 6b81209d72c23e365b845589dce3d7d2 [0,1,0,1,0,0|2,0,0]=4 22373 B13R1.539 COC(=O)CCCNC[C@@H]1CCO1 235cb71a72d3f139a90e69cca3971950 [0,1,0,1,0,0|2,0,0]=4 22374 B13R1.539 COC(=O)CCCNC[C@H]1CCO1 62f5d501b11ebd1f8be8391ba430edd6 [0,1,0,1,0,0|2,0,0]=4 22375 B13R1.539 COC(=O)CCCOCC1CCC1 a2e59722fad73455431d3d7a37150133 [0,1,0,1,0,0|1,0,0]=3 22376 B13R1.539 COC(=O)CCCOCC1CCO1 0325ae1c3bf49fb494d0bb6bd42a84dc [0,1,0,1,0,0|2,0,0]=4 22377 B13R1.539 COC(=O)CCCOCC1COC1 31dd641783be9596ac51d2b3bb9c5de8 [0,1,0,1,0,0|2,0,0]=4 22378 B13R1.539 COC(=O)CCCOCC1CSC1 440143395a6b26c4d04a3060a1cc2613 [0,1,0,1,0,0|2,0,0]=4 22379 B13R1.539 COC(=O)CCCOC[C@@H]1CCO1 19a79523cb4175b9b2af4672ebbc3f74 [0,1,0,1,0,0|2,0,0]=4 22380 B13R1.539 COC(=O)CCCOC[C@H]1CCO1 f4b0eaecc8fea7457008f8b344a68e42 [0,1,0,1,0,0|2,0,0]=4 22381 B13R1.539 COC(=O)CCNCCC1CCC1 1497ace9fbaf1d43a8b83302755d9ec4 [0,1,0,1,0,0|1,0,0]=3 22382 B13R1.539 COC(=O)CCNCCC1CCO1 190857e8a82f9bd46c0a348b7ad267ba [0,1,0,1,0,0|2,0,0]=4 22383 B13R1.539 COC(=O)CCNCCC1COC1 0a82f7f3eb57128f271ebb6715a6d904 [0,1,0,1,0,0|2,0,0]=4 22384 B13R1.539 COC(=O)CCNCCN1CCC1 c134ff02bb0dc82474fa5514a5031e8c [0,1,0,1,0,0|2,0,0]=4 22385 B13R1.539 COC(=O)CCNCC[C@@H]1CCO1 05937c3ec8168db223f7902540aa92ae [0,1,0,1,0,0|2,0,0]=4 22386 B13R1.539 COC(=O)CCOCCC1CCC1 117ba06f9d41e95870c3b7b0f740b19f [0,1,0,1,0,0|1,0,0]=3 22387 B13R1.539 COC(=O)CCOCCC1CCO1 ae6d53d3d4f1da75f497d486671265da [0,1,0,1,0,0|2,0,0]=4 22388 B13R1.539 COC(=O)CCOCCC1COC1 ec88d6e8d1c9ebfe80616dc5e78fdbcd [0,1,0,1,0,0|2,0,0]=4 22389 B13R1.539 COC(=O)CCOCCN1CCC1 fc8c791e120cde1dfef604769f542a0e [0,1,0,1,0,0|2,0,0]=4 22390 B13R1.539 COC(=O)CCOCC[C@@H]1CCO1 8a40fe4a0e3a94099a1176eab9d75d6d [0,1,0,1,0,0|2,0,0]=4 22391 B13R1.539 COC(=O)CCOCC[C@H]1CCO1 befc031e9810d4b82b12b15c53ff6383 [0,1,0,1,0,0|2,0,0]=4 22392 B13R1.539 COC(=O)CNCCCN1CCC1 b4cce6230af0b955e2a0315ea78fc054 [0,1,0,1,0,0|2,0,0]=4 22393 B13R1.539 COC(=O)CNCCOC1CCC1 0bf9ac01f0229c8613a80a83afe44f37 [0,1,0,1,0,0|2,0,0]=4 22394 B13R1.539 COC(=O)COCCCC1CCC1 75117038e5a73364080284ac43118f95 [0,1,0,1,0,0|1,0,0]=3 22395 B13R1.539 COC(=O)COCCCC1COC1 8d2df1b03474e82f5435342cab777b71 [0,1,0,1,0,0|2,0,0]=4 22396 B13R1.539 COC(=O)COCCCN1CCC1 d8cdbbb15b1071fac59ccaa8821d543d [0,1,0,1,0,0|2,0,0]=4 22397 B13R1.539 COC(=O)COCCNC1CCC1 b6afd8946e421593f82e08b31a93072d [0,1,0,1,0,0|2,0,0]=4 22398 B13R1.539 COC(=O)COCCOC1CCC1 5fd6ed5c8f551d89b1de276d4f224626 [0,1,0,1,0,0|2,0,0]=4 22399 B13R1.539 COC(=O)CSCCCN1CCC1 9668f95dca55bb59f0f5f8f9ead71f12 [0,1,0,1,0,0|2,0,0]=4 22400 B13R1.539 COC(=O)OCCOCC1CCC1 bcc539fc53d46f811e1e9d801cf5ef82 [0,1,0,1,0,0|2,0,0]=4 22401 B13R1.539 COC(=O)OCNCCC1CCC1 f264102b3f35473d5ddc0e1e92c55670 [0,1,0,1,0,0|2,0,0]=4 22402 B13R1.539 COC(=O)OCOCCC1CCC1 fa602eef7923d8431b8b1e4448594049 [0,1,0,1,0,0|2,0,0]=4 22403 B13R1.539 O=C(CCNCCC1CCC1)NO 9f9e03f1570a0157646fd19d17d835e3 [0,1,0,1,0,0|1,0,0]=3 22404 B13R1.539 O=C(CCNCCC1CCO1)NO ce5a53bca00d1e04b7cb2502b95479da [0,1,0,1,0,0|2,0,0]=4 22405 B13R1.539 O=C(CCNCCC1COC1)NO 76cb44711477f7a465224f1a1c902c69 [0,1,0,1,0,0|2,0,0]=4 22406 B13R1.539 O=C(CNCCOC1CCC1)NO 5089dd313e4756e95a50b30e1cd9c9f1 [0,1,0,1,0,0|2,0,0]=4 22407 B13R1.539 O=C(CO)CNCCCN1CCC1 e96b829d58cf1933ef57787b496d8bc6 [0,1,0,1,0,0|2,0,0]=4 22408 B13R1.581 C#CC(=O)N1CCCC1CCCC 2d977e875d81c7b769644bfe3d1093ef [0,1,0,1,0,0|2,0,0]=4 22409 B13R1.581 C=CC(=O)N1CCCC1CCCC a216b3a42a072cb4a3a1d7354268d285 [0,1,0,1,0,0|2,0,0]=4 22410 B13R1.581 CCCCC1CCCN1C(=O)C=O 7378752aeca453c7190bfc64988ae04e [0,1,0,1,0,0|1,0,1]=4 22411 B13R1.581 CCCCC1CCCN1C(=O)CC 9374a581160934cabcc3d5c33727d268 [0,1,0,1,0,0|2,0,0]=4 22412 B13R1.581 CCCCC1CCCN1C(=O)CF 36108ffcb891e8f6683d611d8618c02d [0,1,0,1,0,0|2,0,0]=4 22413 B13R1.581 CCCCC1CCCN1C(=O)CO 87f51fe97d3da1a3790ffa1cdf822cec [0,1,0,1,0,0|1,0,0]=3 22414 B13R1.581 CCCCC1CCCN1C(=O)CS f3f35f5f63307163cbe25c134d871d11 [0,1,0,1,0,0|1,1,0]=4 22415 B13R1.581 CCCCN1CCCC1C(=O)NC ec38b9e44aee3aac5f4469e360288138 [0,1,0,1,0,0|2,0,0]=4 22416 B13R1.581 CCCCN1CCCC1C(=O)OC 41ad74a6b2ebd004cee9cb29c1fdbc55 [0,1,0,1,0,0|1,0,0]=3 22417 B13R1.581 CCCCN1CCC[C@@H]1C(=O)NC 416693aaddcc2dd42cbe13948f891325 [0,1,0,1,0,0|2,0,0]=4 22418 B13R1.581 CCCCN1CCC[C@H]1C(=O)NC 275fde74c0057459d28de59bcbcb8643 [0,1,0,1,0,0|2,0,0]=4 22419 B13R1.581 CCCCN1CCC[C@H]1C(=O)NO 38198eb4c2288d5bc4b1b6aac50f1839 [0,1,0,1,0,0|1,0,0]=3 22420 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 09845784ee32f48280d2f9f0c8ffd0c9 [0,1,0,1,0,0|1,0,0]=3 22421 B13R1.581 CCCCN1CSCC1C(=O)OC 9864bd6803b74c8bbe9d879ceb56fae2 [0,1,0,1,0,0|2,0,0]=4 22422 B13R1.581 CCCCN1CSC[C@H]1C(=O)OC dc3bcfb92bacdd257a14d6205549f8ea [0,1,0,1,0,0|2,0,0]=4 22423 B13R1.581 CCCN[C@@H]1COC[C@H]1C(=O)OC 0a610062664d26d6f701035ba509df82 [0,1,0,1,0,0|2,0,0]=4 22424 B13R1.581 CCCOC1CCCC1C(=O)OC 96a9dd4470fbdaf225f929bf8c8135f3 [0,1,0,1,0,0|1,0,0]=3 22425 B13R1.581 CCCO[C@@H]1CCC[C@@H]1C(=O)OC aeb663282165300599b456f8517a5d88 [0,1,0,1,0,0|1,0,0]=3 22426 B13R1.581 CCCO[C@H]1CCC[C@H]1C(=O)OC f8ed28c2214ee3c191e071beaf3f2480 [0,1,0,1,0,0|1,0,0]=3 22427 B13R1.581 CCOCC1CCCN1C(=O)CO 44a020a637f515ebe58706b61350bb62 [0,1,0,1,0,0|2,0,0]=4 22428 B13R1.581 CCOCN1CCCC1C(=O)OC cd588d183b71acf08c8d29deb6a7360d [0,1,0,1,0,0|2,0,0]=4 22429 B13R1.581 CCOCN1CCC[C@H]1C(=O)NO 2633de4413aa88f675fed70f61687216 [0,1,0,1,0,0|2,0,0]=4 22430 B13R1.581 CCOCN1CCC[C@H]1C(=O)OC c7814a0c0b1675a79660be7f62223cf1 [0,1,0,1,0,0|2,0,0]=4 22431 B13R1.581 CCOC[C@@H]1CCCN1C(=O)CO 00a08a6a0c61d463ae071045b310380e [0,1,0,1,0,0|2,0,0]=4 22432 B13R1.581 COC(=O)C1CCCC1OCCF 8ddc3e3881164e3b33ad1b8bf9cb8206 [0,1,0,1,0,0|2,0,0]=4 22433 B13R1.581 COC(=O)C1CCCC1OCCS e45c6f3e66e01bdaea240a9861abac64 [0,1,0,1,0,0|2,0,0]=4 22434 B13R1.581 COC(=O)C1CCCC1OCSC 0f9e8c38023cb5c51164ac96952cd739 [0,1,0,1,0,0|2,0,0]=4 22435 B13R1.581 COC(=O)C1CCCN1CCCF 3dd6a354d94e6190da461ad3635e3ace [0,1,0,1,0,0|2,0,0]=4 22436 B13R1.581 COC(=O)C1CCCN1CCCO 0a9ef778845999fcac39286edd7f2024 [0,1,0,1,0,0|2,0,0]=4 22437 B13R1.581 COC(=O)C1CCCN1CCCS 6005fc53902ae672d09befea858da093 [0,1,0,1,0,0|2,0,0]=4 22438 B13R1.581 COC(=O)C1CCCN1CCSC c9a3bea0af4db4fcb8ea895c8cda1848 [0,1,0,1,0,0|2,0,0]=4 22439 B13R1.581 COC(=O)[C@@H]1CCCN1CCCF fcfcdb5f55b8cf097d737b8b2974c58b [0,1,0,1,0,0|2,0,0]=4 22440 B13R1.581 COC(=O)[C@@H]1CCCN1CCCO b172afb71f765487c0fa8cce306a5685 [0,1,0,1,0,0|2,0,0]=4 22441 B13R1.581 COC(=O)[C@@H]1CCCN1CCCS 50cdb2634edc2f67b8ce1d1e88781406 [0,1,0,1,0,0|2,0,0]=4 22442 B13R1.581 COC(=O)[C@@H]1CCCN1CCSC eb1ecef5ca6a0de1eb3445baab5cfbc7 [0,1,0,1,0,0|2,0,0]=4 22443 B13R1.581 COC(=O)[C@@H]1CCC[C@@H]1OCCF 71e51999f1616d3eb1780173f702030b [0,1,0,1,0,0|2,0,0]=4 22444 B13R1.581 COC(=O)[C@@H]1CCC[C@@H]1OCCS 60b6d5c1e4bcc7969ffbcb30b94cd8d8 [0,1,0,1,0,0|2,0,0]=4 22445 B13R1.581 COC(=O)[C@@H]1CCC[C@@H]1OCSC da88515f79fe44fe91d4dde6a4193407 [0,1,0,1,0,0|2,0,0]=4 22446 B13R1.581 COC(=O)[C@H]1CCC[C@H]1OCCF 45773694670d2ad21f48466088230567 [0,1,0,1,0,0|2,0,0]=4 22447 B13R1.581 COC(=O)[C@H]1CCC[C@H]1OCCS 53664b6e97dd4b5e2fa55461113dc5bf [0,1,0,1,0,0|2,0,0]=4 22448 B13R1.581 COC(=O)[C@H]1CCC[C@H]1OCSC 602e81b2af3cd0cbff8d7d41de7d335c [0,1,0,1,0,0|2,0,0]=4 22449 B13R1.581 COCCC1CCCN1C(=O)CO 1ff0c251d48e98312059ce095ee33b2d [0,1,0,1,0,0|2,0,0]=4 22450 B13R1.581 COCCN1CCCC1C(=O)OC c97c33608c928d935a7a1d57ff6f9f1b [0,1,0,1,0,0|2,0,0]=4 22451 B13R1.581 COCCN1CCC[C@H]1C(=O)NO 9281590b2562405091a71f79469b1ea5 [0,1,0,1,0,0|2,0,0]=4 22452 B13R1.581 COCCN1CCC[C@H]1C(=O)OC e37edd27ed037c7b03b6b301bb5ff462 [0,1,0,1,0,0|2,0,0]=4 22453 B13R1.581 COCOC1CCCC1C(=O)OC e4b0dc8fd6cbc3255f72778ce5d4a920 [0,1,0,1,0,0|2,0,0]=4 22454 B13R1.581 COCO[C@@H]1CCC[C@@H]1C(=O)OC 1ca63114c0a6c8bddbc317c76707fbba [0,1,0,1,0,0|2,0,0]=4 22455 B13R1.581 COCO[C@H]1CCC[C@H]1C(=O)OC 5a7c347e8beab20cd5aeb2fe572ff97f [0,1,0,1,0,0|2,0,0]=4 22456 B13R1.581 CSCCN1CCC[C@H]1C(=O)NO 83e4c0a4bcf51fb474f884f42a9d64e2 [0,1,0,1,0,0|2,0,0]=4 22457 B13R1.581 O=C(NO)[C@@H]1CCCN1CCCF 64ee62f88c717a72f6e2f9391e95b1d9 [0,1,0,1,0,0|2,0,0]=4 22458 B13R1.581 O=C(NO)[C@@H]1CCCN1CCCO ee8c938327cfcc8e74e711ed41f1f21b [0,1,0,1,0,0|2,0,0]=4 22459 B13R1.581 O=C(NO)[C@@H]1CCCN1CCCS a2e5868eb735e59f150e6ae7b8934785 [0,1,0,1,0,0|2,0,0]=4 22460 B13R1.595 C=CC(=O)CCCN[C@@H]1CC[C@H]1C c16d889593995a4c217fedecb8179643 [0,1,0,1,0,0|2,0,0]=4 22461 B13R1.595 C=CC(=O)CCCN[C@H]1CC[C@H]1C f65fbd213eab8df71703381989fbe858 [0,1,0,1,0,0|2,0,0]=4 22462 B13R1.595 CNC(=O)CCCN[C@@H]1CC[C@H]1C 2ef235fb62e364f81402070d58c884a0 [0,1,0,1,0,0|2,0,0]=4 22463 B13R1.595 CNC(=O)CCCN[C@H]1CC[C@H]1C 1b14073cd611f808ff4338543601add4 [0,1,0,1,0,0|2,0,0]=4 22464 B13R1.595 COC(=O)CCCNC1CCC1F e95657c9b152ac72c70a09e31e0e1f33 [0,1,0,1,0,0|2,0,0]=4 22465 B13R1.595 COC(=O)CCCNC1CCC1O 91d72566ee0b12d1611bc88755f53ba8 [0,1,0,1,0,0|2,0,0]=4 22466 B13R1.595 COC(=O)CCCNC1COC1C 5ee26479b61269519d2b16a31af65f28 [0,1,0,1,0,0|2,0,0]=4 22467 B13R1.595 COC(=O)CCCN[C@@H]1CC[C@@H]1O b5c3f05c0b24a70f91f963cbbdbf12c9 [0,1,0,1,0,0|2,0,0]=4 22468 B13R1.595 COC(=O)CCCN[C@@H]1CC[C@H]1C 6290219bfd8fd8e859ad6586e882ea36 [0,1,0,1,0,0|1,0,0]=3 22469 B13R1.595 COC(=O)CCCN[C@@H]1CC[C@H]1O c6941a28a7b82e974470027733d709fe [0,1,0,1,0,0|2,0,0]=4 22470 B13R1.595 COC(=O)CCCN[C@H]1CC[C@@H]1O 4b680d6fe18001c018ee0c81e3b32f99 [0,1,0,1,0,0|2,0,0]=4 22471 B13R1.595 COC(=O)CCCN[C@H]1CC[C@H]1C d405beb0a3a46b17cdaf4f4aceed10dc [0,1,0,1,0,0|1,0,0]=3 22472 B13R1.595 COC(=O)CCCN[C@H]1CC[C@H]1O 7cd472bceff92d68d0da80b2608ef1b4 [0,1,0,1,0,0|2,0,0]=4 22473 B13R1.595 COC(=O)CCCOC1COC1C 372cd2bdb6040d220ad3c73ccbba159e [0,1,0,1,0,0|2,0,0]=4 22474 B13R1.595 COC(=O)CCNCC1CCN1C ad3b52c06e99ceb6f6dac67d943ba525 [0,1,0,1,0,0|2,0,0]=4 22475 B13R1.595 COC(=O)CCOCC1CCC1F 66d57aa187ef9293c93dc3b5b22ab4fd [0,1,0,1,0,0|2,0,0]=4 22476 B13R1.595 COC(=O)CCOCC1CCN1C a512a8234877cfc5a0140a20479a6f5e [0,1,0,1,0,0|2,0,0]=4 22477 B13R1.595 COC(=O)CCOC[C@@H]1CCN1C 0d764b0e08a11ab7e73afb085b45dd8b [0,1,0,1,0,0|2,0,0]=4 22478 B13R1.595 COC(=O)CCOC[C@H]1CCN1C ba9dddbe76c26416dfa10309b152e8ab [0,1,0,1,0,0|2,0,0]=4 22479 B13R1.599 C=C(COCC1CCCC1C)OC 2f79c18bb9ed6aac241ccc0b18fe7503 [0,1,0,1,0,0|2,0,0]=4 22480 B13R1.599 C=CC(=O)CCCN1CCCC1C 83652ae6eaac439fc0b46b1d83e34958 [0,1,0,1,0,0|2,0,0]=4 22481 B13R1.599 C=CC(=O)CCCN1CCC[C@@H]1C 3983af35b19776d1ee815cf557ee53d5 [0,1,0,1,0,0|2,0,0]=4 22482 B13R1.599 C=CC(=O)CCCN1CCC[C@H]1C 6aabb5b4ab8b43253724aa078ff780e0 [0,1,0,1,0,0|2,0,0]=4 22483 B13R1.599 CC1COCC1CNCC(=O)NO 24014bf6969c2eea245787eee76c93e6 [0,1,0,1,0,0|2,0,0]=4 22484 B13R1.599 CCC(=O)COCC1CCCC1C 2b9add63a8fe98c1c2d5701dd7c01cce [0,1,0,1,0,0|2,0,0]=4 22485 B13R1.599 CN1CCCC1CCNC(=O)CO 5dda63f67a0ebf650d207abbba1bc76e [0,1,0,1,0,0|2,0,0]=4 22486 B13R1.599 CN1CCCC1CNCC(=O)CO adbcc3a6be9a234cdda491647472695a [0,1,0,1,0,0|2,0,0]=4 22487 B13R1.599 CN1CCC[C@@H]1CCNC(=O)CO 32c302a70eca1b63d72fba2b88953b4a [0,1,0,1,0,0|2,0,0]=4 22488 B13R1.599 CN1CCC[C@@H]1CNCC(=O)CO 251bea0d8be142e0eeb092b42348591e [0,1,0,1,0,0|2,0,0]=4 22489 B13R1.599 CN1CCC[C@H]1CCNC(=O)CO b72fd119b341c229e222ebe929c4c4d7 [0,1,0,1,0,0|2,0,0]=4 22490 B13R1.599 CN1CCC[C@H]1CNCC(=O)CO 19cef2217351824d5f7bf6a6de8e0163 [0,1,0,1,0,0|2,0,0]=4 22491 B13R1.599 CNC(=O)CCCN1CCCC1C cc255cb387a54a3e5e99dab72c5cb123 [0,1,0,1,0,0|2,0,0]=4 22492 B13R1.599 CNC(=O)CCCN1CCC[C@@H]1C 83919289c287dd7d41a92f88dfc2e5c4 [0,1,0,1,0,0|2,0,0]=4 22493 B13R1.599 CNC(=O)CCCN1CCC[C@H]1C 4b4f5a45e282ecaae698b0b98c2360ad [0,1,0,1,0,0|2,0,0]=4 22494 B13R1.599 CNC(=O)CCOC1CCCC1C 6c672a7d92c187198567e2dbb9409163 [0,1,0,1,0,0|2,0,0]=4 22495 B13R1.599 CNC(=O)CCO[C@@H]1CCC[C@@H]1C 4da3e929c3bec2e79338f4819a30e565 [0,1,0,1,0,0|2,0,0]=4 22496 B13R1.599 CNC(=O)CCO[C@@H]1CCC[C@H]1C 2ca99cf526ffd7e2a0283c8c8105b22b [0,1,0,1,0,0|2,0,0]=4 22497 B13R1.599 CNC(=O)CCO[C@H]1CCC[C@@H]1C ed4b887005e2ee265e44f5b2624cb79b [0,1,0,1,0,0|2,0,0]=4 22498 B13R1.599 CNC(=O)CCO[C@H]1CCC[C@H]1C 2cc2917e26e477d09ac763ce40608ef8 [0,1,0,1,0,0|2,0,0]=4 22499 B13R1.599 CNC(=O)COCC1CCCC1C e82b9701845281397b583f674b3a6300 [0,1,0,1,0,0|2,0,0]=4 22500 B13R1.599 COC(=O)CCCN1CCCC1C 8923dbbe6e6f4f83d40ba925f6d96f4a [0,1,0,1,0,0|1,0,0]=3 22501 B13R1.599 COC(=O)CCCN1CCCC1O 0be99020c54a4e150be666abcc3f77ce [0,1,0,1,0,0|2,0,0]=4 22502 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 9e6bb7cbff94612aaf0e4e7e1b878d8f [0,1,0,1,0,0|1,0,0]=3 22503 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 97f711021ba6357113fec4bf95f9cc38 [0,1,0,1,0,0|1,0,0]=3 22504 B13R1.599 COC(=O)CCCN1CCSC1C 5b7fd919ce64caa83c67dda552982c75 [0,1,0,1,0,0|2,0,0]=4 22505 B13R1.599 COC(=O)CCNC1CCCC1O fca39044dbdf0a1620cbbd69c556c870 [0,1,0,1,0,0|2,0,0]=4 22506 B13R1.599 COC(=O)CCN[C@@H]1CCC[C@@H]1O 5bee8eb75c0661afd3c832f2abdb91da [0,1,0,1,0,0|2,0,0]=4 22507 B13R1.599 COC(=O)CCN[C@@H]1CCC[C@H]1O 51689fcd70fffa125c35ee4664e43fe4 [0,1,0,1,0,0|2,0,0]=4 22508 B13R1.599 COC(=O)CCN[C@H]1CCC[C@@H]1O 04d3b5e0143a8092bde9c4a714593c75 [0,1,0,1,0,0|2,0,0]=4 22509 B13R1.599 COC(=O)CCN[C@H]1CCC[C@H]1O 6fbda761991fa6e0504d2cc86a9e5064 [0,1,0,1,0,0|2,0,0]=4 22510 B13R1.599 COC(=O)CCOC1CCCC1C ac0f6a82465a2f065e758dea74dace93 [0,1,0,1,0,0|1,0,0]=3 22511 B13R1.599 COC(=O)CCOC1COCC1C 64f5c6bff8083f91381795387e40c304 [0,1,0,1,0,0|2,0,0]=4 22512 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@@H]1C 733d850ae6e6fd6f10785100917c64fb [0,1,0,1,0,0|1,0,0]=3 22513 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1C 3cd5b3692d1af1ec691c4280fdd446b2 [0,1,0,1,0,0|1,0,0]=3 22514 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1F bd7f64a49fdc96ab4c5d8df65b308259 [0,1,0,1,0,0|2,0,0]=4 22515 B13R1.599 COC(=O)CCO[C@@H]1COC[C@@H]1C 3a314037ea22e7996fba2a17481626a1 [0,1,0,1,0,0|2,0,0]=4 22516 B13R1.599 COC(=O)CCO[C@H]1CCC[C@@H]1C 385fe32493dd548fa34e00c4b5b06e3c [0,1,0,1,0,0|1,0,0]=3 22517 B13R1.599 COC(=O)CCO[C@H]1CCC[C@H]1C 9e2de0df491cb29c84d9780c400e1eb3 [0,1,0,1,0,0|1,0,0]=3 22518 B13R1.599 COC(=O)CCO[C@H]1COC[C@@H]1C c4b0c43abb84f85db370e66d4e11526d [0,1,0,1,0,0|2,0,0]=4 22519 B13R1.599 COC(=O)CCO[C@H]1COC[C@H]1C 91a7259560c77b0f262c211255e55fa9 [0,1,0,1,0,0|2,0,0]=4 22520 B13R1.599 COC(=O)CNCC1CCCC1O c9691389a00b65eb59ba883a1aa41dd0 [0,1,0,1,0,0|2,0,0]=4 22521 B13R1.599 COC(=O)CNCC1CCCN1C 4c63d0b2c8039df27cc973592438aabf [0,1,0,1,0,0|2,0,0]=4 22522 B13R1.599 COC(=O)CNCC1COCC1C da43e1d9e0e5ede6cdb3b58c71b9ac8d [0,1,0,1,0,0|2,0,0]=4 22523 B13R1.599 COC(=O)CNC[C@@H]1CCCN1C 5185add8a9168793b6d250b3566de5c6 [0,1,0,1,0,0|2,0,0]=4 22524 B13R1.599 COC(=O)CNC[C@H]1CCCN1C 2ce8ab6087ac88624b8d33da6a6b6378 [0,1,0,1,0,0|2,0,0]=4 22525 B13R1.599 COC(=O)COCC1CCCC1C 70ad2bbd60be6e36b77313f00ca53492 [0,1,0,1,0,0|1,0,0]=3 22526 B13R1.599 COC(=O)COCC1CCCN1C 268ed06859cdb37cfc04a8d38412d85c [0,1,0,1,0,0|2,0,0]=4 22527 B13R1.599 COC(=O)COCC1COCC1C 616f100debeb6ca597fb66126c841adf [0,1,0,1,0,0|2,0,0]=4 22528 B13R1.599 COC(=O)COCC1OCCC1C 9cc8e826968ea2ccc6d7a5d29a4d1973 [0,1,0,1,0,0|2,0,0]=4 22529 B13R1.599 COC(=O)COC[C@@H]1CCCN1C b67248b5747f703d48a64bbe0e2a1c79 [0,1,0,1,0,0|2,0,0]=4 22530 B13R1.599 COC(=O)COC[C@@H]1CCC[C@H]1F 0ded22be2fb5461b31f5fc02923a6f08 [0,1,0,1,0,0|2,0,0]=4 22531 B13R1.599 COC(=O)COC[C@@H]1CCO[C@@H]1C f7d98802846a11acf3a3ea499f243ce7 [0,1,0,1,0,0|2,0,0]=4 22532 B13R1.599 COC(=O)COC[C@H]1CCCN1C e3dfadaddf384a284a65237d0469fe39 [0,1,0,1,0,0|2,0,0]=4 22533 B13R1.599 COC(=O)OCOC1CCCC1C 84d04f96cb3b74efd61bf33e3b0533ba [0,1,0,1,0,0|2,0,0]=4 22534 B13R1.599 COC(=O)OCO[C@@H]1CCC[C@@H]1C c8a564e4de1396ec36d9af9175ce007a [0,1,0,1,0,0|2,0,0]=4 22535 B13R1.599 COC(=O)OCO[C@@H]1CCC[C@H]1C bbb356dd002ebf3f7a5cc248376918ca [0,1,0,1,0,0|2,0,0]=4 22536 B13R1.599 COC(=O)OCO[C@H]1CCC[C@@H]1C 66b29a320f82e438502d31879b43d84c [0,1,0,1,0,0|2,0,0]=4 22537 B13R1.599 COC(=O)OCO[C@H]1CCC[C@H]1C 7413da54c3620694cb4f388e9f1c1a37 [0,1,0,1,0,0|2,0,0]=4 22538 B13R1.599 O=C(CO)CNCC1CCCC1O e40d2a19b84c3de52e448871573f940f [0,1,0,1,0,0|2,0,0]=4 22539 B13R1.611 O=C(CO)N1CCCCCC1CO 43d5e97ddb28a38b2004484c2b85bbba [0,1,0,1,0,0|2,0,0]=4 22540 B13R1.613 C=C(CN[C@@H]1CCC[C@H]1CC)OC 439dd71883cfc1ec97ae8ece09392f3c [0,1,0,1,0,0|2,0,0]=4 22541 B13R1.613 C=C(CO)CN[C@@H]1CCC[C@H]1CC 9fcde6d3acbf2d6c303341aed3744910 [0,1,0,1,0,0|2,0,0]=4 22542 B13R1.613 CCC(=O)CN[C@@H]1CCC[C@H]1CC 7d1707e353acd58a5c42d8daddc709ce [0,1,0,1,0,0|2,0,0]=4 22543 B13R1.613 CCC1CCCN1CCC(=O)NC 12f1d36076d485372b0ae86144a097e6 [0,1,0,1,0,0|2,0,0]=4 22544 B13R1.613 CCC1CCCN1CCC(=O)OC 1f74c4aca5c637df90d0e9cb7b0a2dba [0,1,0,1,0,0|1,0,0]=3 22545 B13R1.613 CCC1CCCN1COC(=O)OC c37160bb396b7150868dd94128fe2c7f [0,1,0,1,0,0|2,0,0]=4 22546 B13R1.613 CCN1CCCC1CNC(=O)CO cfc94bf168efec64871569314282ab67 [0,1,0,1,0,0|2,0,0]=4 22547 B13R1.613 CCN1CCC[C@@H]1CNC(=O)CO 2398d8afcf2a22c9818e0e6df7355b9d [0,1,0,1,0,0|2,0,0]=4 22548 B13R1.613 CCN1CCC[C@H]1CNC(=O)CO cdf16a269f724effea9758099aa559e2 [0,1,0,1,0,0|2,0,0]=4 22549 B13R1.613 CC[C@@H]1CCCN1CCC(=O)NC b9e6e9391cd4c1b951cc06f9d4c01f3b [0,1,0,1,0,0|2,0,0]=4 22550 B13R1.613 CC[C@@H]1CCCN1CCC(=O)OC e7e1abd0b66d4c02fae316c78f529997 [0,1,0,1,0,0|1,0,0]=3 22551 B13R1.613 CC[C@@H]1CCCN1COC(=O)OC 574f82b65ec1366e729cc04cd6a18bb4 [0,1,0,1,0,0|2,0,0]=4 22552 B13R1.613 CC[C@@H]1CCC[C@H]1NCC(=O)CO cc513dbc4920b5d48d426d9d3b877e5c [0,1,0,1,0,0|1,0,0]=3 22553 B13R1.613 CC[C@@H]1CCC[C@H]1NCC(=O)NC a5cb7e8ae693d2a14e5f766d8b084695 [0,1,0,1,0,0|2,0,0]=4 22554 B13R1.613 CC[C@@H]1CCC[C@H]1NCC(=O)OC ad0530dd659de05ad088d83f1199789f [0,1,0,1,0,0|1,0,0]=3 22555 B13R1.613 COC(=O)CCN1CCCC1CO f013a56a2e8594bc126364a784fedbb8 [0,1,0,1,0,0|2,0,0]=4 22556 B13R1.613 COC(=O)CCN1CCCC1OC 5d17fc76fd18de7aba2855da3ec9c054 [0,1,0,1,0,0|2,0,0]=4 22557 B13R1.613 COC(=O)CCN1CCC[C@@H]1CF 74b4fe6a9703faea8f56fc51babe2546 [0,1,0,1,0,0|2,0,0]=4 22558 B13R1.613 COC(=O)CCN1CCC[C@@H]1CO 53ac3de2f1a39f0bb33753112f83821f [0,1,0,1,0,0|2,0,0]=4 22559 B13R1.613 COC(=O)CCN1CCC[C@H]1CF 07a9b6bf230057cd703c36df67fd9bdf [0,1,0,1,0,0|2,0,0]=4 22560 B13R1.613 COC(=O)CCN1CCC[C@H]1CO 84fe8e409ee23b70989f0b68d352312c [0,1,0,1,0,0|2,0,0]=4 22561 B13R1.613 COC(=O)CNC1CCCC1OC f794d19883b72b00f86a807feac0b31b [0,1,0,1,0,0|2,0,0]=4 22562 B13R1.613 COC(=O)CN[C@@H]1CCC[C@H]1OC f07c0216b00fe448c6e4fe299b50a374 [0,1,0,1,0,0|2,0,0]=4 22563 B13R1.613 COC(=O)CN[C@H]1CCC[C@@H]1OC 642ad4f1d88b5396a905c714c3501b30 [0,1,0,1,0,0|2,0,0]=4 22564 B13R1.613 COC(=O)CN[C@H]1CCC[C@H]1CO e9a8e3a4df2912077fbc1e4f98c0558c [0,1,0,1,0,0|2,0,0]=4 22565 B13R1.613 COC(=O)CN[C@H]1CCC[C@H]1OC ce7098292a7b6a1b85f00a1aa5692337 [0,1,0,1,0,0|2,0,0]=4 22566 B13R1.613 COC1CCCC1NCC(=O)CO 63f3bca125e85291e723b3c6545f3e27 [0,1,0,1,0,0|2,0,0]=4 22567 B13R1.613 CO[C@@H]1CCC[C@@H]1NCC(=O)CO 61f97925a7d3e24b0bfa5b0ad324755a [0,1,0,1,0,0|2,0,0]=4 22568 B13R1.613 CO[C@@H]1CCC[C@H]1NCC(=O)CO d68a7b9d9dd6958f23b3ccd110bd4912 [0,1,0,1,0,0|2,0,0]=4 22569 B13R1.613 CO[C@H]1CCC[C@@H]1NCC(=O)CO a928929542232927010ea4034ea12ec7 [0,1,0,1,0,0|2,0,0]=4 22570 B13R1.613 O=C(CO)CN[C@H]1CCC[C@H]1CO 2c4703f50d17ebf0448312c753f9d1a1 [0,1,0,1,0,0|2,0,0]=4 22571 B13R1.619 COC(=O)CCCN[C@@H]1C[C@@H]1OC bde9b3be71ad8364fe740b9dd6af7437 [0,1,0,1,0,0|2,0,0]=4 22572 B13R1.619 COC(=O)CCCN[C@@H]1C[C@H]1CO c4209dbec4d90ecb5d1b8476807bcda5 [0,1,0,1,0,0|2,0,0]=4 22573 B13R1.619 COC(=O)CCCN[C@H]1C[C@@H]1CO 8cc0ec62272370a7e56fc4b1ed44260d [0,1,0,1,0,0|2,0,0]=4 22574 B13R1.619 COC(=O)CCCN[C@H]1C[C@H]1CO 382dbc215064dde385c80dcbff23a4a8 [0,1,0,1,0,0|2,0,0]=4 22575 B13R1.619 COC(=O)CCNCC1CC1CO 684ca8618561fc19659b3d9e55f18648 [0,1,0,1,0,0|2,0,0]=4 22576 B13R1.648 C=CC(=O)CCCN1CCC1CC 69e806918d7ae24c1a5459cbfd55cd29 [0,1,0,1,0,0|2,0,0]=4 22577 B13R1.648 CCC1CCN1CCCC(=O)NC 7cf0fad4b2e36de128cf554d45504046 [0,1,0,1,0,0|2,0,0]=4 22578 B13R1.648 CCC1CCN1CCCC(=O)OC fadf8e1c70356f67fc82a4349682dfb5 [0,1,0,1,0,0|1,0,0]=3 22579 B13R1.648 COC(=O)CCCN1CCC1CO 1b3af0538b9b64f77553d45c39c69306 [0,1,0,1,0,0|2,0,0]=4 22580 B13R1.648 COC(=O)CCCN1CC[C@@H]1CO 844b5e16f8c7e8aadd952ba162ab4ce3 [0,1,0,1,0,0|2,0,0]=4 22581 B13R1.648 COC(=O)CCCN1CC[C@H]1CO 74db13c1fc077cd6277eef4079a2a3ce [0,1,0,1,0,0|2,0,0]=4 22582 B13R1.648 COC(=O)CCNC1CCC1OC 378f288a1980b79b9007e784c63a7f6e [0,1,0,1,0,0|2,0,0]=4 22583 B13R1.648 COC(=O)CCN[C@@H]1CC[C@@H]1OC aa65743c2a78c963514a663bf306065c [0,1,0,1,0,0|2,0,0]=4 22584 B13R1.648 COC(=O)CCN[C@@H]1CC[C@H]1OC 71175667af0f3ce4094d5ed7c9ee8005 [0,1,0,1,0,0|2,0,0]=4 22585 B13R1.648 COC(=O)CCN[C@H]1CC[C@@H]1OC 386e56b0470ccf33e7464ab29dda331e [0,1,0,1,0,0|2,0,0]=4 22586 B13R1.648 COC(=O)CCN[C@H]1CC[C@H]1OC 81825575af4f5136f56931221bcc3bdb [0,1,0,1,0,0|2,0,0]=4 22587 B13R1.648 COC(=O)COCC1CCC1OC 67d664bcb3a2fb697dc3e41c974c2d7f [0,1,0,1,0,0|2,0,0]=4 22588 B13R1.648 COC(=O)COC[C@@H]1CC[C@H]1OC 0321ef66617b951a114ad16996fc6aa3 [0,1,0,1,0,0|2,0,0]=4 22589 B13R1.648 COC(=O)COC[C@H]1CC[C@H]1OC 6e42269f8a89af44511e1daf9231d896 [0,1,0,1,0,0|2,0,0]=4 22590 B13R1.667 CCCCCCCN[C@H]1CNC1=O d80575e0401802a5ad898b676aad4c54 [0,1,0,1,0,0|2,0,0]=4 22591 B13R1.667 CCCCCCCOC1CCC1=O 24ecb1a027f62689d3556d1ad206a430 [0,1,0,1,0,0|2,0,0]=4 22592 B13R1.667 CCCCCCNCC1COC1=O 79235c75eb011c1660debd214209c865 [0,1,0,1,0,0|1,0,0]=3 22593 B13R1.667 CCCCCCOCC1CCC1=O 24603f2b2ba3b6f662c129435b4e2d88 [0,1,0,1,0,0|2,0,0]=4 22594 B13R1.667 CCCCCCOCC1COC1=O 032322bdfe049220b7567d334742118f [0,1,0,1,0,0|1,0,0]=3 22595 B13R1.667 CCCCCNCCC1CCC1=O 26f27c83af38e0cafbcbd3d78f0b6716 [0,1,0,1,0,0|2,0,0]=4 22596 B13R1.667 CCCCCOCCC1CCC1=O e3a39395dae3f4ee7f87caa69f4adbc4 [0,1,0,1,0,0|2,0,0]=4 22597 B13R1.667 CCCOCCNCC1COC1=O fd91011c2789a5cc149f69fe334cb478 [0,1,0,1,0,0|2,0,0]=4 22598 B13R1.667 CCCOCCOCC1COC1=O 06c5f316fecc91825bcdf636dce13ce1 [0,1,0,1,0,0|2,0,0]=4 22599 B13R1.667 CCCSCCOCC1COC1=O 017ce1ce8b285d47ab07c40419169bda [0,1,0,1,0,0|2,0,0]=4 22600 B13R1.667 CCOCCCNCC1COC1=O 172a8a1e94219771d44f35386aac508b [0,1,0,1,0,0|2,0,0]=4 22601 B13R1.667 CCOCCCOCC1COC1=O 7ae6dd47f2b954dc6306e78e5b3252f6 [0,1,0,1,0,0|2,0,0]=4 22602 B13R1.667 CCSCCCOCC1COC1=O 46877d6e9988ca10468c9f207d59165b [0,1,0,1,0,0|2,0,0]=4 22603 B13R1.667 COCCCCNCC1COC1=O 93d702533d22073724956b554ee971f7 [0,1,0,1,0,0|2,0,0]=4 22604 B13R1.667 COCCCCOCC1COC1=O 9534d34e5a1f08fb196151302cc39e77 [0,1,0,1,0,0|2,0,0]=4 22605 B13R1.667 CSCCCCNCC1COC1=O 9b30d9888aeeaa6265ef7f7a188ce969 [0,1,0,1,0,0|2,0,0]=4 22606 B13R1.667 CSCCCCOCC1COC1=O 8418c515b1fd6d3c96c6a9d475e4d54c [0,1,0,1,0,0|2,0,0]=4 22607 B13R1.667 O=C1OCC1CNCCCCCCl ec1003f0188422dc2ae763192eb4aa70 [0,1,0,1,0,0|2,0,0]=4 22608 B13R1.667 O=C1OCC1CNCCCCCO 478ad48819ac31649328c13016a4c47d [0,1,0,1,0,0|2,0,0]=4 22609 B13R1.718 C#CC(=O)NCCC1CCCCC1 953ac178eb25e976015f1802be5088d2 [0,1,0,1,0,0|2,0,0]=4 22610 B13R1.718 C=C(C=O)OCCC1CCCCC1 8b9af3f29bb59ac322de9e1eae0539e9 [0,1,0,1,0,0|2,0,0]=4 22611 B13R1.718 C=C(CNCC1CCCCC1)OC 99b61c3abecff6758796c155730b46af [0,1,0,1,0,0|2,0,0]=4 22612 B13R1.718 C=C(CO)CNCC1CCCCC1 65c943221ce09b74d2b9832e2a81ef29 [0,1,0,1,0,0|2,0,0]=4 22613 B13R1.718 C=C(COCC1CCCCC1)OC 2384e586216508a584678f23eb0433f9 [0,1,0,1,0,0|2,0,0]=4 22614 B13R1.718 C=CC(=O)NCCC1CCCCC1 53a0f7568b3dab4c05d38e272f00fee0 [0,1,0,1,0,0|2,0,0]=4 22615 B13R1.718 CCC(=O)CNCC1CCCCC1 8052233a27f2a13ff44b59e85ae724dd [0,1,0,1,0,0|2,0,0]=4 22616 B13R1.718 CCC(=O)COCC1CCCCC1 454a59f2eb22066d9e61d655e18e8553 [0,1,0,1,0,0|2,0,0]=4 22617 B13R1.718 CCC(=O)NCCC1CCCCC1 db2a24049601c08006277d56d6513d9c [0,1,0,1,0,0|2,0,0]=4 22618 B13R1.718 CNC(=O)CCNC1CCCCC1 ede3b12bb35e899b7c55ed7864d51da8 [0,1,0,1,0,0|2,0,0]=4 22619 B13R1.718 CNC(=O)CCOC1CCCCC1 ecb8a5a9b65743f7f08735942680d2a6 [0,1,0,1,0,0|2,0,0]=4 22620 B13R1.718 CNC(=O)CNCC1CCCCC1 18659f65151d3b09668cb962e92eb9f0 [0,1,0,1,0,0|2,0,0]=4 22621 B13R1.718 CNC(=O)COCC1CCCCC1 2e1627d217f8a3eacc5db652c72cc308 [0,1,0,1,0,0|2,0,0]=4 22622 B13R1.718 COC(=O)CCCN1CCCOC1 a742e9a0da93913601e19b568f69db20 [0,1,0,1,0,0|2,0,0]=4 22623 B13R1.718 COC(=O)CCCN1CCCSC1 b5f82a7621101adb51386e020b8251be [0,1,0,1,0,0|2,0,0]=4 22624 B13R1.718 COC(=O)CCCN1CCOCC1 cfab0746864a15105aa37715dd351d81 [0,1,0,1,0,0|2,0,0]=4 22625 B13R1.718 COC(=O)CCCN1CCSCC1 311e889d9bea20695b917a3386d44f9e [0,1,0,1,0,0|2,0,0]=4 22626 B13R1.718 COC(=O)CCNC1CCCCC1 6c834d69f457e3814fdbd355ce9a1cd4 [0,1,0,1,0,0|1,0,0]=3 22627 B13R1.718 COC(=O)CCNC1CCCOC1 99dd18b7c49e6e14338d4f4ee10559d9 [0,1,0,1,0,0|2,0,0]=4 22628 B13R1.718 COC(=O)CCNC1CCOCC1 71aee74a0e1163f3c367b335f9bd8aed [0,1,0,1,0,0|2,0,0]=4 22629 B13R1.718 COC(=O)CCNC1CCSCC1 ca48f81e7fd8948a71fe1be5445c83a4 [0,1,0,1,0,0|2,0,0]=4 22630 B13R1.718 COC(=O)CCN[C@@H]1CCCOC1 aa55534ef6f37f2230497e984265936b [0,1,0,1,0,0|2,0,0]=4 22631 B13R1.718 COC(=O)CCN[C@H]1CCCOC1 1eb0b329e5b1cd2562b219eb63dc7e15 [0,1,0,1,0,0|2,0,0]=4 22632 B13R1.718 COC(=O)CCOC1CCCCC1 e2a70e07c7489fc3c073c1ca57528dcf [0,1,0,1,0,0|1,0,0]=3 22633 B13R1.718 COC(=O)CCOC1CCCCO1 8a62431700bb89fe4b8cb444b887a2b2 [0,1,0,1,0,0|2,0,0]=4 22634 B13R1.718 COC(=O)CCOC1CCCOC1 ba8811e0e965e2bfa72b6baeb520cda4 [0,1,0,1,0,0|2,0,0]=4 22635 B13R1.718 COC(=O)CCOC1CCCSC1 ac0e20148f0a00ce5fd304a37c9fbfdc [0,1,0,1,0,0|2,0,0]=4 22636 B13R1.718 COC(=O)CCOC1CCOCC1 17d4449d7ff2a05331b15d26f55c82cd [0,1,0,1,0,0|2,0,0]=4 22637 B13R1.718 COC(=O)CCOC1CCSCC1 47c6151ac2bd93fd9eacefbe9851d7d5 [0,1,0,1,0,0|2,0,0]=4 22638 B13R1.718 COC(=O)CCO[C@@H]1CCCOC1 c7aa9b8cf3a18e3c7504ca792afe5485 [0,1,0,1,0,0|2,0,0]=4 22639 B13R1.718 COC(=O)CCO[C@H]1CCCOC1 7df634e20678648a907abb5e85e5ade4 [0,1,0,1,0,0|2,0,0]=4 22640 B13R1.718 COC(=O)CNCC1CCCCC1 edbcfef674468e02b1702e0ecd4a528a [0,1,0,1,0,0|1,0,0]=3 22641 B13R1.718 COC(=O)CNCC1CCCCO1 0836cc05df886c59e04195bc8a7ec2bb [0,1,0,1,0,0|2,0,0]=4 22642 B13R1.718 COC(=O)CNCC1CCCOC1 a25859a130f9312b264f6595bd8d4bb4 [0,1,0,1,0,0|2,0,0]=4 22643 B13R1.718 COC(=O)CNCC1CCOCC1 d9cc78f40518dfc5cec148b7452096b6 [0,1,0,1,0,0|2,0,0]=4 22644 B13R1.718 COC(=O)CNCC1CCSCC1 97be5f3bc8f7710f33ea223082c3313b [0,1,0,1,0,0|2,0,0]=4 22645 B13R1.718 COC(=O)CNC[C@@H]1CCCOC1 86a88fc1607bc5d09ee5ea6ca41363f8 [0,1,0,1,0,0|2,0,0]=4 22646 B13R1.718 COC(=O)CNC[C@H]1CCCOC1 62e8604daacdf187d2974b3f7b81f4ce [0,1,0,1,0,0|2,0,0]=4 22647 B13R1.718 COC(=O)COCC1CCCCC1 0312531890271d63d212b0994c889dd8 [0,1,0,1,0,0|1,0,0]=3 22648 B13R1.718 COC(=O)COCC1CCCCO1 e83c2357ac433291042ec4565e5d75c9 [0,1,0,1,0,0|2,0,0]=4 22649 B13R1.718 COC(=O)COCC1CCCOC1 683e88a39be75da3ec7c93c84e1d5537 [0,1,0,1,0,0|2,0,0]=4 22650 B13R1.718 COC(=O)COCC1CCOCC1 fd375afb204be8e7c542e11b1af9eb87 [0,1,0,1,0,0|2,0,0]=4 22651 B13R1.718 COC(=O)COCC1CCSCC1 0a35e1e447c0eef8a22f86cbda42bb51 [0,1,0,1,0,0|2,0,0]=4 22652 B13R1.718 COC(=O)COC[C@@H]1CCCCO1 757b2c0e4ea1f7d04b9991c41cbf4847 [0,1,0,1,0,0|2,0,0]=4 22653 B13R1.718 COC(=O)COC[C@@H]1CCCOC1 e890919af9885169d4cc08441f9283e0 [0,1,0,1,0,0|2,0,0]=4 22654 B13R1.718 COC(=O)COC[C@H]1CCCCO1 a1e6ffaf53e14b9dc387ddff04ebbb15 [0,1,0,1,0,0|2,0,0]=4 22655 B13R1.718 COC(=O)COC[C@H]1CCCOC1 07b4ff3881bbe3cd1ae49c73e0c58a48 [0,1,0,1,0,0|2,0,0]=4 22656 B13R1.718 COC(=O)OCOC1CCCCC1 1a602a54bb58177feaba28ae34d27642 [0,1,0,1,0,0|2,0,0]=4 22657 B13R1.718 O=C(CCNC1CCCCC1)NO 314b823e0a48df0d82e2419d32fb3ea7 [0,1,0,1,0,0|1,0,0]=3 22658 B13R1.718 O=C(CCNC1CCCCO1)NO 281095cd70fbc67d78102142d4f8c929 [0,1,0,1,0,0|2,0,0]=4 22659 B13R1.718 O=C(CCNC1CCOCC1)NO 0ab989b81ce3de5241b9f91abe7e38a1 [0,1,0,1,0,0|2,0,0]=4 22660 B13R1.718 O=C(CCNC1CCSCC1)NO 90ffad651c03533715306d6ec50e14fe [0,1,0,1,0,0|2,0,0]=4 22661 B13R1.718 O=C(CF)NCCC1CCCCC1 84a3fab0d6a7f15c20332e1245718355 [0,1,0,1,0,0|2,0,0]=4 22662 B13R1.718 O=C(CNCC1CCCCC1)NO 0229ea207e5adc4fb35060205d6054bd [0,1,0,1,0,0|1,0,0]=3 22663 B13R1.718 O=C(CNCC1CCCCO1)NO f6f4ae187bbdfb26b33dea043204cca8 [0,1,0,1,0,0|2,0,0]=4 22664 B13R1.718 O=C(CNCC1CCCOC1)NO 58bb8cdca1aa9752cc4194772e300beb [0,1,0,1,0,0|2,0,0]=4 22665 B13R1.718 O=C(CNCC1CCOCC1)NO fb774dea3cd6c3569df6a0b911928ac7 [0,1,0,1,0,0|2,0,0]=4 22666 B13R1.718 O=C(CNCC1CCSCC1)NO 0d8b6e7c5ca4cf2d800081c7f701356d [0,1,0,1,0,0|2,0,0]=4 22667 B13R1.718 O=C(CO)CNCC1CCCCC1 b520922cf58d5bf178eefa1b2dbe6f13 [0,1,0,1,0,0|1,0,0]=3 22668 B13R1.718 O=C(CO)CNCC1CCCCO1 ad8cd3cb03fdb9650a5e3a3320207660 [0,1,0,1,0,0|2,0,0]=4 22669 B13R1.718 O=C(CO)CNCC1CCCOC1 ffec800a9394baad92892f2c6e25f5dc [0,1,0,1,0,0|2,0,0]=4 22670 B13R1.718 O=C(CO)CNCC1CCOCC1 4c9580a378e78f3e2d296665aa428e80 [0,1,0,1,0,0|2,0,0]=4 22671 B13R1.718 O=C(CO)CNCC1CCSCC1 b2425aab14cdd89f0cd88e18470b7bb4 [0,1,0,1,0,0|2,0,0]=4 22672 B13R1.718 O=C(CO)CNC[C@@H]1CCCOC1 54c46ed7bd5b048fb55ecfb9f70d6f94 [0,1,0,1,0,0|2,0,0]=4 22673 B13R1.718 O=C(CO)CNC[C@H]1CCCOC1 a16e7ee1202624357e7d857c70baa15f [0,1,0,1,0,0|2,0,0]=4 22674 B13R1.718 O=C(CO)NCCC1CCCCC1 9af9e1dfdeb542a46012504e4585fb25 [0,1,0,1,0,0|1,0,0]=3 22675 B13R1.718 O=C(CO)NCCC1CCCCO1 8c5193bb9f0d21ebc8fd73a02220ea14 [0,1,0,1,0,0|2,0,0]=4 22676 B13R1.718 O=C(CO)NCCC1CCCOC1 82e32fb6fd792b6380ce6eb10ff0cbb1 [0,1,0,1,0,0|2,0,0]=4 22677 B13R1.718 O=C(CO)NCCC1CCOCC1 b6a188b268f17569b8b66690b2bed6c7 [0,1,0,1,0,0|2,0,0]=4 22678 B13R1.718 O=C(CO)NCCC1CCSCC1 5b9b4e19f92e1bc07291e8f6e1929c26 [0,1,0,1,0,0|2,0,0]=4 22679 B13R1.718 O=C(CO)NCCN1CCCCC1 d5ad2c45bf2524b92c0957b4e33b53a6 [0,1,0,1,0,0|2,0,0]=4 22680 B13R1.718 O=C(CS)NCCC1CCCCC1 0354568d594ff1c7e0828f6620e12d2c [0,1,0,1,0,0|1,1,0]=4 22681 B13R1.718 O=CC(=O)NCCC1CCCCC1 1f209bdd204bb50dec9dae1fe818e4bc [0,1,0,1,0,0|1,0,1]=4 22682 B13R1.1689 C#CC(=O)N1CCCCCCCC1 42ee30727f640c0202264b5c264151fa [0,1,0,1,0,0|2,0,0]=4 22683 B13R1.1689 C=CC(=O)N1CCCCCCCC1 b5452bd954cc2101de05c8b265c0214e [0,1,0,1,0,0|2,0,0]=4 22684 B13R1.1689 CCC(=O)N1CCCCCCCC1 7d4dde5ba9065f555b25df273d7eeda0 [0,1,0,1,0,0|2,0,0]=4 22685 B13R1.1689 O=C(CF)N1CCCCCCCC1 606d596fd5128a2ac71c8bde692f9fbc [0,1,0,1,0,0|2,0,0]=4 22686 B13R1.1689 O=C(CO)N1CCCCCCCC1 691da00b5cd90950b10bfd5624b7c16f [0,1,0,1,0,0|1,0,0]=3 22687 B13R1.1689 O=C(CS)N1CCCCCCCC1 355e830ea9ee85ad3e779d5d6cc5f2c4 [0,1,0,1,0,0|1,1,0]=4 22688 B13R1.1689 O=CC(=O)N1CCCCCCCC1 6d4b1d25d17d6be75d32f29eca3e83e0 [0,1,0,1,0,0|1,0,1]=4 22689 B13R1.1711 C#CC(=O)NCC1CCCCCC1 18bd53c749e08d391255d96d022c2c9d [0,1,0,1,0,0|2,0,0]=4 22690 B13R1.1711 C=C(C=O)OCC1CCCCCC1 84c7b4384d91a5e9fec6bab22202dfa4 [0,1,0,1,0,0|2,0,0]=4 22691 B13R1.1711 C=C(CNC1CCCCCC1)OC 56de0be3ba35d54fa4d5e4b626c5572f [0,1,0,1,0,0|2,0,0]=4 22692 B13R1.1711 C=C(CO)CNC1CCCCCC1 cefe9b866d0e2dd6eb33aaff2063464f [0,1,0,1,0,0|2,0,0]=4 22693 B13R1.1711 C=C(COC1CCCCCC1)OC 2ebf3aaa3819bd828d8078a63b0ce556 [0,1,0,1,0,0|2,0,0]=4 22694 B13R1.1711 C=CC(=O)NCC1CCCCCC1 175a25f0e818a0d5a63c23dd9d1c6396 [0,1,0,1,0,0|2,0,0]=4 22695 B13R1.1711 CCC(=O)CNC1CCCCCC1 48b7046e7901a2c83baf0401be3fd56d [0,1,0,1,0,0|2,0,0]=4 22696 B13R1.1711 CCC(=O)COC1CCCCCC1 8c3e98d122c6b4c0ae3a433532c74030 [0,1,0,1,0,0|2,0,0]=4 22697 B13R1.1711 CCC(=O)NCC1CCCCCC1 859e07a71e58618209b39a2dae6ff918 [0,1,0,1,0,0|2,0,0]=4 22698 B13R1.1711 CNC(=O)CCN1CCCCCC1 d6d44d15f5b83e5bbede76bf166b2d1b [0,1,0,1,0,0|2,0,0]=4 22699 B13R1.1711 CNC(=O)CNC1CCCCCC1 7423f34e5ed3cac17fdb3f660faf2d31 [0,1,0,1,0,0|2,0,0]=4 22700 B13R1.1711 CNC(=O)COC1CCCCCC1 93a212472ab331bd05f548c7982759ed [0,1,0,1,0,0|2,0,0]=4 22701 B13R1.1711 COC(=O)CCN1CCCCCC1 5e5071b691467f8c1399fd481d84eb22 [0,1,0,1,0,0|1,0,0]=3 22702 B13R1.1711 COC(=O)CCN1CCCOCC1 e9d623a29c23942c0115118499ad7840 [0,1,0,1,0,0|2,0,0]=4 22703 B13R1.1711 COC(=O)CNC1CCCCCC1 b16ba115e3dcdf69c544cb1eaaefa267 [0,1,0,1,0,0|1,0,0]=3 22704 B13R1.1711 COC(=O)CNC1CCCOCC1 b118ae404e97484d329c3db89ed52176 [0,1,0,1,0,0|2,0,0]=4 22705 B13R1.1711 COC(=O)COC1CCCCCC1 34b7b213576e112cb4be06d7516d609e [0,1,0,1,0,0|1,0,0]=3 22706 B13R1.1711 COC(=O)COC1CCCOCC1 901a2fb2220a96aa11cccb163e60e9e8 [0,1,0,1,0,0|2,0,0]=4 22707 B13R1.1711 COC(=O)OCN1CCCCCC1 0070e783c5623d6aa623d7b63b35ba56 [0,1,0,1,0,0|2,0,0]=4 22708 B13R1.1711 O=C(CF)NCC1CCCCCC1 ba2ae6feec9bd0387af584bd7fe097e9 [0,1,0,1,0,0|2,0,0]=4 22709 B13R1.1711 O=C(CNC1CCCCCC1)NO 5304b3886c6a7888bd8f4320fa73f450 [0,1,0,1,0,0|1,0,0]=3 22710 B13R1.1711 O=C(CNC1CCCOCC1)NO 8a01645907d5662bfdbd7ba6a8d902ec [0,1,0,1,0,0|2,0,0]=4 22711 B13R1.1711 O=C(CO)CNC1CCCCCC1 d8ea6f3c52b0e34a8d8fdf6ef1c6bdc5 [0,1,0,1,0,0|1,0,0]=3 22712 B13R1.1711 O=C(CO)CNC1CCCOCC1 16e823c520130f1c53f3185619dff341 [0,1,0,1,0,0|2,0,0]=4 22713 B13R1.1711 O=C(CO)NCC1CCCCCC1 af259b7eb3df4f7e74f11c22b42e2a94 [0,1,0,1,0,0|1,0,0]=3 22714 B13R1.1711 O=C(CS)NCC1CCCCCC1 c9d6f8fd3e8ea5f3ac8d50c707fc322f [0,1,0,1,0,0|1,1,0]=4 22715 B13R1.1711 O=CC(=O)NCC1CCCCCC1 72d2016d011e60cc59bd23ad7dfa0264 [0,1,0,1,0,0|1,0,1]=4 22716 B13R1.1870 C#CC(=O)NC1CCCCCCC1 81a782b455c4c8b6a12e7a20bf3c84c3 [0,1,0,1,0,0|2,0,0]=4 22717 B13R1.1870 C=C(CN1CCCCCCC1)OC 4039d797075a75b30f987d218ff41cca [0,1,0,1,0,0|2,0,0]=4 22718 B13R1.1870 C=C(CO)CN1CCCCCCC1 c972abf751661e706ca336545636790b [0,1,0,1,0,0|2,0,0]=4 22719 B13R1.1870 C=CC(=O)NC1CCCCCCC1 5a650436613d06fbccc879b9fb6bf6c4 [0,1,0,1,0,0|2,0,0]=4 22720 B13R1.1870 CCC(=O)CN1CCCCCCC1 17f8e6ad2326aed7948491989479eb63 [0,1,0,1,0,0|2,0,0]=4 22721 B13R1.1870 CCC(=O)NC1CCCCCCC1 a37ae918b6b43998214f68445fe9bcbe [0,1,0,1,0,0|2,0,0]=4 22722 B13R1.1870 CNC(=O)CN1CCCCCCC1 eca3e9d5cb3fbd89464fc507acd5755e [0,1,0,1,0,0|2,0,0]=4 22723 B13R1.1870 COC(=O)CN1CCCCCCC1 b0b76993eaa7b2258637ddd25e55d518 [0,1,0,1,0,0|1,0,0]=3 22724 B13R1.1870 O=C(CF)NC1CCCCCCC1 dffd42a45938ad6ad3e5704759f48d23 [0,1,0,1,0,0|2,0,0]=4 22725 B13R1.1870 O=C(CO)CN1CCCCCCC1 0bc5ac610ed0d9e37c906f177a987c8b [0,1,0,1,0,0|1,0,0]=3 22726 B13R1.1870 O=C(CO)NC1CCCCCCC1 1b6fe7d3a6f038d14db621fc543dab0c [0,1,0,1,0,0|1,0,0]=3 22727 B13R1.1870 O=C(CS)NC1CCCCCCC1 dc00c0ebc5db6e8e0604fabe3c539b65 [0,1,0,1,0,0|1,1,0]=4 22728 B13R1.1870 O=CC(=O)NC1CCCCCCC1 a48699398be8b15736879f7d2b0258b3 [0,1,0,1,0,0|1,0,1]=4 22729 B13R1.1885 CCCCCCN1CC1C(=O)OC b9b6b61fb1e749e413739587dd81ef80 [0,1,0,1,0,0|1,0,0]=3 22730 B13R1.1885 CCCCCCN1C[C@H]1C(=O)OC 873c0326390cf4b4588d2040e143bc06 [0,1,0,1,0,0|1,0,0]=3 22731 B13R1.1885 CCCCCNC1CC1C(=O)OC 3acf6ca6e2f920ecb7ba6203e51474ec [0,1,0,1,0,0|1,0,0]=3 22732 B13R1.1885 CCCCCOC1CC1C(=O)OC d86f53f16c4195ec9529a5e0f35d7c61 [0,1,0,1,0,0|1,0,0]=3 22733 B13R1.1885 CCCCNC[C@@H]1C[C@H]1C(=O)OC 1002cd25782b8d1efc29bbcc7c4bfd4a [0,1,0,1,0,0|1,0,0]=3 22734 B13R1.1885 CCCCOCC1CC1C(=O)OC 915f197432d9f1784fbf7b3623b09b25 [0,1,0,1,0,0|1,0,0]=3 22735 B13R1.1885 CCCCOCN1CC1C(=O)OC 86a9d213bae1b75c22eaccb4428ba279 [0,1,0,1,0,0|2,0,0]=4 22736 B13R1.1885 CCCCOCN1C[C@H]1C(=O)OC e59bbc26ab9b44c07ba78045174842ee [0,1,0,1,0,0|2,0,0]=4 22737 B13R1.1885 CCCCOC[C@@H]1C[C@@H]1C(=O)OC 5f117687d689a9d9e642bcd9d2648b04 [0,1,0,1,0,0|1,0,0]=3 22738 B13R1.1885 CCCCOC[C@@H]1C[C@H]1C(=O)OC e39f60d3a27d7d2f07ca83e34b145263 [0,1,0,1,0,0|1,0,0]=3 22739 B13R1.1885 CCCCOC[C@H]1C[C@@H]1C(=O)OC 57ef2cbbbfc8b5f7f81b188203451a36 [0,1,0,1,0,0|1,0,0]=3 22740 B13R1.1885 CCCOCCN1CC1C(=O)OC 1c4c70017d10c8549cb74bbe88c7a5ec [0,1,0,1,0,0|2,0,0]=4 22741 B13R1.1885 CCCOCCN1C[C@H]1C(=O)OC bbdcfdff644609c5bc7e2db25e50cd9d [0,1,0,1,0,0|2,0,0]=4 22742 B13R1.1885 CCCOCC[C@H]1C[C@@H]1C(=O)OC fdbda7009f844c26b7e1b6f2231ad1d6 [0,1,0,1,0,0|1,0,0]=3 22743 B13R1.1885 CCOCCCN1CC1C(=O)OC 32431a691bfcb6fcb5c1d26e31725b07 [0,1,0,1,0,0|2,0,0]=4 22744 B13R1.1885 CCOCCCN1C[C@H]1C(=O)OC 0416f1724d3b0ad2d246c01fca5ee148 [0,1,0,1,0,0|2,0,0]=4 22745 B13R1.1885 CCOCCNC1CC1C(=O)OC 364a403a85054340eb5abc74392e9390 [0,1,0,1,0,0|2,0,0]=4 22746 B13R1.1885 CCOCCOC1CC1C(=O)OC acb63487de8c0b467d202e07f6f3f3c1 [0,1,0,1,0,0|2,0,0]=4 22747 B13R1.1885 CCOCOCC1CC1C(=O)OC 90095ee9983de0432f2bcb3db2f6caf5 [0,1,0,1,0,0|2,0,0]=4 22748 B13R1.1885 CCOCOC[C@@H]1C[C@@H]1C(=O)OC 761c948d34e838b1f51ac1aba101e48a [0,1,0,1,0,0|2,0,0]=4 22749 B13R1.1885 CCOCOC[C@@H]1C[C@H]1C(=O)OC 46a50a352618f97d2a6def2f650333f2 [0,1,0,1,0,0|2,0,0]=4 22750 B13R1.1885 CCOCOC[C@H]1C[C@@H]1C(=O)OC 629d15c933395940aa9c91c01deb334c [0,1,0,1,0,0|2,0,0]=4 22751 B13R1.1885 CCSCCCN1CC1C(=O)OC 6e61a146ad19d7d0e0308aeeb51769ae [0,1,0,1,0,0|2,0,0]=4 22752 B13R1.1885 CCSCCCN1C[C@H]1C(=O)OC f2ee93c96f6994f3d9275e6c2f2f3e94 [0,1,0,1,0,0|2,0,0]=4 22753 B13R1.1885 CCSCCNC1CC1C(=O)OC 2fad97d9133186feefb0cedbdfdd814d [0,1,0,1,0,0|2,0,0]=4 22754 B13R1.1885 CCSCCOC1CC1C(=O)OC f227f9501d9cfd69995fe4326389ae7b [0,1,0,1,0,0|2,0,0]=4 22755 B13R1.1885 COC(=O)C1CC1COCCCF 6692169b40c1d3e30950f5202b5e6bca [0,1,0,1,0,0|2,0,0]=4 22756 B13R1.1885 COC(=O)C1CC1COCCCS e6fac6aedd0025703627239027eadcc8 [0,1,0,1,0,0|2,0,0]=4 22757 B13R1.1885 COC(=O)C1CC1COCCSC 77d2844bf58a9f07cf4331e57e35184f [0,1,0,1,0,0|2,0,0]=4 22758 B13R1.1885 COC(=O)C1CC1NCCCCCl 849eb9c2d50e1d3cfe6058f004b454cd [0,1,0,1,0,0|2,0,0]=4 22759 B13R1.1885 COC(=O)C1CC1NCCCCO 69617aae25ecb359ba928a3452eeace8 [0,1,0,1,0,0|2,0,0]=4 22760 B13R1.1885 COC(=O)C1CC1NCCCCS 1719312725abb7c71ee7ca78c250a191 [0,1,0,1,0,0|2,0,0]=4 22761 B13R1.1885 COC(=O)C1CC1NCCCSC 511bcb8510ca74edecaaadebcf624cfc [0,1,0,1,0,0|2,0,0]=4 22762 B13R1.1885 COC(=O)C1CC1OCCCCF f246da00519d338a58b21fad8c473a8b [0,1,0,1,0,0|2,0,0]=4 22763 B13R1.1885 COC(=O)C1CC1OCCCCS 37c04ba44a3fb29104e1145fcad59cb9 [0,1,0,1,0,0|2,0,0]=4 22764 B13R1.1885 COC(=O)C1CC1OCCCSC a138f07b6613906824eff6b917c94378 [0,1,0,1,0,0|2,0,0]=4 22765 B13R1.1885 COC(=O)C1CN1CCCCCF a3d61991178afeb95c5f252722cbf2b8 [0,1,0,1,0,0|2,0,0]=4 22766 B13R1.1885 COC(=O)C1CN1CCCCCO 0f42944bd9d1b327b240506eba48d670 [0,1,0,1,0,0|2,0,0]=4 22767 B13R1.1885 COC(=O)[C@@H]1CN1CCCCCF 17578625db2c668f402b7a654c61f1ea [0,1,0,1,0,0|2,0,0]=4 22768 B13R1.1885 COC(=O)[C@@H]1CN1CCCCCO cf6a4f0ed596550f8d077307b321994b [0,1,0,1,0,0|2,0,0]=4 22769 B13R1.1885 COC(=O)[C@@H]1C[C@H]1CNCCCCl 0d9ce6e9c8959e549a24324f0ffa1949 [0,1,0,1,0,0|2,0,0]=4 22770 B13R1.1885 COC(=O)[C@@H]1C[C@H]1CNCCCO beff99c9ac3c7c4f3ab6d4ca31d7e52b [0,1,0,1,0,0|2,0,0]=4 22771 B13R1.1885 COC(=O)[C@@H]1C[C@H]1CNCCSC 760078357e11df4f79feae31b97f8d24 [0,1,0,1,0,0|2,0,0]=4 22772 B13R1.1885 COC(=O)[C@@H]1C[C@H]1COCCCF 2397d15f63c5574ca51c90f9c17c77c4 [0,1,0,1,0,0|2,0,0]=4 22773 B13R1.1885 COC(=O)[C@@H]1C[C@H]1COCCCS 94dcc3cffb991a607904074f770457b3 [0,1,0,1,0,0|2,0,0]=4 22774 B13R1.1885 COC(=O)[C@@H]1C[C@H]1COCCSC bedb3257761ce0f566071a2f5d703112 [0,1,0,1,0,0|2,0,0]=4 22775 B13R1.1885 COC(=O)[C@H]1C[C@@H]1CCOCCF 333d264d46ed13152dbc6a22b367a494 [0,1,0,1,0,0|2,0,0]=4 22776 B13R1.1885 COC(=O)[C@H]1C[C@@H]1CCOCCS 5fff65453464d00ed195b1288b20a1db [0,1,0,1,0,0|2,0,0]=4 22777 B13R1.1885 COC(=O)[C@H]1C[C@@H]1CCOCSC 9d4a3ca9b84af9414895f543e5be919b [0,1,0,1,0,0|2,0,0]=4 22778 B13R1.1885 COC(=O)[C@H]1C[C@@H]1COCCCF e0174dadd47fe083d98877bc75bab420 [0,1,0,1,0,0|2,0,0]=4 22779 B13R1.1885 COC(=O)[C@H]1C[C@@H]1COCCCS 3193800f723ee0da580454e69a320cd9 [0,1,0,1,0,0|2,0,0]=4 22780 B13R1.1885 COC(=O)[C@H]1C[C@@H]1COCCSC 6c9b6d802fa74a65357df3dde877b8f4 [0,1,0,1,0,0|2,0,0]=4 22781 B13R1.1885 COC(=O)[C@H]1C[C@H]1COCCCF 0b9302d1e8731c7dc956b0436a378788 [0,1,0,1,0,0|2,0,0]=4 22782 B13R1.1885 COC(=O)[C@H]1C[C@H]1COCCCS 53ce8f458dd5d4963c8f29cb0f72ff51 [0,1,0,1,0,0|2,0,0]=4 22783 B13R1.1885 COC(=O)[C@H]1C[C@H]1COCCSC ea1b233956f62b77ec50ed08955346ce [0,1,0,1,0,0|2,0,0]=4 22784 B13R1.1885 COCCCCN1CC1C(=O)OC 26f0e08ad94bdec545547488c6d9df45 [0,1,0,1,0,0|2,0,0]=4 22785 B13R1.1885 COCCCCN1C[C@H]1C(=O)OC a29548879f6dc89bcfe26642ddec8e91 [0,1,0,1,0,0|2,0,0]=4 22786 B13R1.1885 COCCCNC1CC1C(=O)OC 5158c6f5710997fdc681884e4212fbb4 [0,1,0,1,0,0|2,0,0]=4 22787 B13R1.1885 COCCCOC1CC1C(=O)OC c3ab8cacba83ea8f8530a4e396b0eaa4 [0,1,0,1,0,0|2,0,0]=4 22788 B13R1.1885 COCCNC[C@@H]1C[C@H]1C(=O)OC 5ae6ce370de138db918dc4da70dc7f42 [0,1,0,1,0,0|2,0,0]=4 22789 B13R1.1885 COCCOCC1CC1C(=O)OC 43a035ef5f813c160d54721f8e78c98a [0,1,0,1,0,0|2,0,0]=4 22790 B13R1.1885 COCCOC[C@@H]1C[C@@H]1C(=O)OC 102d43896631618aac88714d84f75392 [0,1,0,1,0,0|2,0,0]=4 22791 B13R1.1885 COCCOC[C@@H]1C[C@H]1C(=O)OC ab1659f1552d15056fe5c0978e021c2e [0,1,0,1,0,0|2,0,0]=4 22792 B13R1.1885 COCCOC[C@H]1C[C@@H]1C(=O)OC c633e7db31068e13848740545de7e4f9 [0,1,0,1,0,0|2,0,0]=4 22793 B13R1.1885 COCOCC[C@H]1C[C@@H]1C(=O)OC f419769011946e6301ce8b5dac3a436e [0,1,0,1,0,0|2,0,0]=4 22794 B13R1.2855 CCCCCN1CC[C@@H]1C(=O)OC 78612711283312da191f533457c2c1bb [0,1,0,1,0,0|1,0,0]=3 22795 B13R1.2855 CCCOCC1CCC1C(=O)OC a0fbda492c9209f23ec1c4b58a3cde45 [0,1,0,1,0,0|1,0,0]=3 22796 B13R1.2855 CCNCCN1CCC1C(=O)OC b0ed753f6564b1577af16b48c5f51268 [0,1,0,1,0,0|2,0,0]=4 22797 B13R1.2855 CCOCCN1CC[C@@H]1C(=O)OC dc1595ecbea061698a775e6f4d32a1a2 [0,1,0,1,0,0|2,0,0]=4 22798 B13R1.2855 CCSCCN1CC[C@@H]1C(=O)OC 8145a9c88ce07c33c55fe0e890a3ab6e [0,1,0,1,0,0|2,0,0]=4 22799 B13R1.2855 COC(=O)C1CCC1COCCF 031f20874e1f8765f1247128f11dd957 [0,1,0,1,0,0|2,0,0]=4 22800 B13R1.2855 COC(=O)C1CCC1COCCS e21c090ca88c6ee2991a2db934d9c84d [0,1,0,1,0,0|2,0,0]=4 22801 B13R1.2855 COC(=O)C1CCC1COCSC 2972837789035dccfba6db1cb26f2b9f [0,1,0,1,0,0|2,0,0]=4 22802 B13R1.2855 COC(=O)[C@H]1CCN1CCCCF 616e23a9751b803aa47881fc7cfe4bd1 [0,1,0,1,0,0|2,0,0]=4 22803 B13R1.2855 COC(=O)[C@H]1CCN1CCCCO cd64603094cb42a3108ff8b9e5bf4031 [0,1,0,1,0,0|2,0,0]=4 22804 B13R1.2855 COC(=O)[C@H]1CCN1CCCSC 81ca9c8bdd403a17eecaccb33fea81ae [0,1,0,1,0,0|2,0,0]=4 22805 B13R1.2855 COCCCN1CC[C@@H]1C(=O)OC 9182a81c10ba23013b7cd9b47a539f34 [0,1,0,1,0,0|2,0,0]=4 22806 B13R1.2855 COCOCC1CCC1C(=O)OC 69100da8ef2529800895ea7aa66fbcbe [0,1,0,1,0,0|2,0,0]=4 22807 B13R1.3440 CCCCCNC1CCN(C1=O)O 537a8c065b9da4d6a013a4503fe218e7 [0,1,0,1,0,0|2,0,0]=4 22808 B13R1.3440 CCCCCN[C@@H]1CCN(C1=O)O 04013060ba178f96fcb009d0b8215c29 [0,1,0,1,0,0|2,0,0]=4 22809 B13R1.3440 CCCCCOC1CCC(=O)N1C 95616bb333e1201ad1759f235df8e15e [0,1,0,1,0,0|2,0,0]=4 22810 B13R1.3440 CCCCNCC1CCC(=O)N1C 59578209b3060df19a569583b777ec36 [0,1,0,1,0,0|2,0,0]=4 22811 B13R1.3440 CCCCNC[C@@H]1CCC(=O)N1C 7baa3aea1052488b57ab3c8c9aee4265 [0,1,0,1,0,0|2,0,0]=4 22812 B13R1.3440 CCCCNC[C@H]1CCC(=O)N1C fad43bb8b2628eece80baa108a2752bd [0,1,0,1,0,0|2,0,0]=4 22813 B13R1.3440 CCCCOCC1CCC(=O)N1C 0cf5ca4a13a4684556291780299d18e0 [0,1,0,1,0,0|2,0,0]=4 22814 B13R1.3440 CCCCOC[C@@H]1CCC(=O)N1C 9611bbd5517e0bbaef0cd59dcadcf8d0 [0,1,0,1,0,0|2,0,0]=4 22815 B13R1.3440 CCCCOC[C@H]1CCC(=O)N1C 879d86036b609e3e185b757ca917c3e5 [0,1,0,1,0,0|2,0,0]=4 22816 B13R1.89 CCC1CCCCN1C(C)C(=O)C ca77186e32b407f5c986f179124bbd85 [0,1,0,1,0,0|2,0,0]=4 22817 B13R1.89 CCC1CCCCN1C(C)C(=O)N 9e0eda1178893734bbd9f5c614cae7a5 [0,1,0,1,0,0|2,0,0]=4 22818 B13R1.89 CCC1CCCCN1C(C)C(=O)O d79d58bd869e0aeafe006c883bc64ba3 [0,1,0,1,0,0|1,0,0]=3 22819 B13R1.89 CCC1CCCCN1C(F)C(=O)N b35b0b7710902a5ef7ef9b6ad5fc5591 [0,1,0,1,0,0|2,0,0]=4 22820 B13R1.89 CCC1CCCCN1C(F)C(=O)O cdb6bc5dbe92092d2b49da4c11352dca [0,1,0,1,0,0|1,0,0]=3 22821 B13R1.89 CCC1CCCCN1[C@@H](C)C(=O)N b87cd3b81260d1a706667b3bf0ab8551 [0,1,0,1,0,0|2,0,0]=4 22822 B13R1.89 CCC1CCCCN1[C@@H](C)C(=O)O 086609d57a654b0cc190b8d48a9c8983 [0,1,0,1,0,0|1,0,0]=3 22823 B13R1.89 CCC1CCCCN1[C@@H](F)C(=O)O 8694e92d17f3d1f2d09cf6e34b1de02a [0,1,0,1,0,0|1,0,0]=3 22824 B13R1.89 CCC1CCCCN1[C@H](C)C(=O)N bfea82ce00d95079fa0a747514887f7e [0,1,0,1,0,0|2,0,0]=4 22825 B13R1.89 CCC1CCCCN1[C@H](C)C(=O)O 404885a2e5ab19835a7035c188d0314c [0,1,0,1,0,0|1,0,0]=3 22826 B13R1.89 CCC1COCCN1C(C)C(=O)O 346fc8d4637c2de13f27e18dd4fd524f [0,1,0,1,0,0|2,0,0]=4 22827 B13R1.89 CCC1COCCN1C(F)C(=O)O 1309ed489d349b13971be796b8f9655a [0,1,0,1,0,0|2,0,0]=4 22828 B13R1.89 CCC1COCCN1[C@@H](C)C(=O)O b1abcea5ba951bd1a33bbb4fb1da674f [0,1,0,1,0,0|2,0,0]=4 22829 B13R1.89 CCC1COCCN1[C@@H](F)C(=O)O cb50797ab0ffd66e0b049edba64774c4 [0,1,0,1,0,0|2,0,0]=4 22830 B13R1.89 CCC1COCCN1[C@H](C)C(=O)O b389b874dcbf885bec427cba04eebab6 [0,1,0,1,0,0|2,0,0]=4 22831 B13R1.89 CC[C@@H]1CCCCN1C(C)C(=O)C f3c98e2a0822561c4a2cdc3be9178f4e [0,1,0,1,0,0|2,0,0]=4 22832 B13R1.89 CC[C@@H]1CCCCN1C(C)C(=O)N 0bd286be8bcc7293de617aca7c0f09eb [0,1,0,1,0,0|2,0,0]=4 22833 B13R1.89 CC[C@@H]1CCCCN1C(C)C(=O)O 7d8076faaaf51e6d116d7fd1859d5733 [0,1,0,1,0,0|1,0,0]=3 22834 B13R1.89 CC[C@@H]1CCCCN1C(F)C(=O)N 779a0eac7d4aac0b51d20f319f36da8f [0,1,0,1,0,0|2,0,0]=4 22835 B13R1.89 CC[C@@H]1CCCCN1C(F)C(=O)O 905bedd9e6ab73abe542c281fa337362 [0,1,0,1,0,0|1,0,0]=3 22836 B13R1.89 CC[C@@H]1CCCCN1[C@@H](C)C(=O)N c47e4dab5fa89c66a29470332a0df190 [0,1,0,1,0,0|2,0,0]=4 22837 B13R1.89 CC[C@@H]1CCCCN1[C@@H](C)C(=O)O d228d9b03304026fff4ab45c61f1b460 [0,1,0,1,0,0|1,0,0]=3 22838 B13R1.89 CC[C@@H]1CCCCN1[C@@H](F)C(=O)O 866caecb0960e4879743b4e3af46de95 [0,1,0,1,0,0|1,0,0]=3 22839 B13R1.89 CC[C@@H]1CCCCN1[C@H](C)C(=O)N f14b50244961110d566e3a3e590ac35c [0,1,0,1,0,0|2,0,0]=4 22840 B13R1.89 CC[C@@H]1CCCCN1[C@H](C)C(=O)O 0772d5dc3c6b518028e2ae007e70b30c [0,1,0,1,0,0|1,0,0]=3 22841 B13R1.89 CC[C@@H]1COCCN1C(C)C(=O)O 69dce2604ff1ed3f376f93b9ed146bb9 [0,1,0,1,0,0|2,0,0]=4 22842 B13R1.89 CC[C@@H]1COCCN1C(F)C(=O)O ba47d7a8b72b3db91d217ed7b1bfc8ef [0,1,0,1,0,0|2,0,0]=4 22843 B13R1.89 CC[C@@H]1COCCN1[C@@H](C)C(=O)O 257f179767a0e7d038d0eebe3bf54814 [0,1,0,1,0,0|2,0,0]=4 22844 B13R1.89 CC[C@@H]1COCCN1[C@@H](F)C(=O)O c2ade65c1500ec3a26b3e917e89685cd [0,1,0,1,0,0|2,0,0]=4 22845 B13R1.89 CC[C@@H]1COCCN1[C@H](C)C(=O)O 4f1852965d3a8f6e992cde215db3372c [0,1,0,1,0,0|2,0,0]=4 22846 B13R1.89 CC[C@H]1CCCCN1C(C)C(=O)C 9ee030254bcff2bd05d049ee9fb951ca [0,1,0,1,0,0|2,0,0]=4 22847 B13R1.89 CC[C@H]1CCCCN1C(C)C(=O)N c86aa167674242900b4dbb40fec999ba [0,1,0,1,0,0|2,0,0]=4 22848 B13R1.89 CC[C@H]1CCCCN1C(C)C(=O)O f44f0f870c8ef0bf711cd0be933ac183 [0,1,0,1,0,0|1,0,0]=3 22849 B13R1.89 CC[C@H]1CCCCN1C(F)C(=O)N bc488171d608c0cd255c7351fbf6b71d [0,1,0,1,0,0|2,0,0]=4 22850 B13R1.89 CC[C@H]1CCCCN1C(F)C(=O)O 4e67e80bed2b71ee31cd9918fc86ea24 [0,1,0,1,0,0|1,0,0]=3 22851 B13R1.89 CC[C@H]1CCCCN1[C@@H](C)C(=O)N 19ecb1eb8827671d8d6c885fce0923a8 [0,1,0,1,0,0|2,0,0]=4 22852 B13R1.89 CC[C@H]1CCCCN1[C@@H](C)C(=O)O 4a8874f3ed8a87ba2ab5dd46e3b6f7b4 [0,1,0,1,0,0|1,0,0]=3 22853 B13R1.89 CC[C@H]1CCCCN1[C@@H](F)C(=O)O 2095d8b490f7e6eabee8d14a7ab40847 [0,1,0,1,0,0|1,0,0]=3 22854 B13R1.89 CC[C@H]1CCCCN1[C@H](C)C(=O)N 2525db47d884b3e0ca2762ee53a47db5 [0,1,0,1,0,0|2,0,0]=4 22855 B13R1.89 CC[C@H]1CCCCN1[C@H](C)C(=O)O ca241314a45f23e37dbe95ff8844523e [0,1,0,1,0,0|1,0,0]=3 22856 B13R1.89 CC[C@H]1COCCN1C(C)C(=O)O 7e10d373d2ef8cf7aee027ca56085e65 [0,1,0,1,0,0|2,0,0]=4 22857 B13R1.89 CC[C@H]1COCCN1C(F)C(=O)O 7172c471808300f9abc6a03f50592131 [0,1,0,1,0,0|2,0,0]=4 22858 B13R1.89 CC[C@H]1COCCN1[C@@H](C)C(=O)O 0c2057c463e25bcb59263ecd7d74169c [0,1,0,1,0,0|2,0,0]=4 22859 B13R1.89 CC[C@H]1COCCN1[C@@H](F)C(=O)O 5108065354e5aa59c738014ea0e61f71 [0,1,0,1,0,0|2,0,0]=4 22860 B13R1.89 CC[C@H]1COCCN1[C@H](C)C(=O)O b29e4974b5d5b2d8e5a62e3552748ba7 [0,1,0,1,0,0|2,0,0]=4 22861 B13R1.169 C=C(COC1CCCC1C)C(=O)O 2fde8400a1538dc7272713c26164bbf4 [0,1,0,1,0,0|1,0,1]=4 22862 B13R1.169 C=C(CO[C@@H]1CCC[C@@H]1C)C(=O)O 1c923d4776c01eca7b26fec6b8922855 [0,1,0,1,0,0|1,0,1]=4 22863 B13R1.169 C=C(CO[C@@H]1CCC[C@H]1C)C(=O)O c781ffaeefcc208247983e5d120b9fb7 [0,1,0,1,0,0|1,0,1]=4 22864 B13R1.169 C=C(CO[C@H]1CCC[C@@H]1C)C(=O)O 15301383c7376062bde3020e6b86ca95 [0,1,0,1,0,0|1,0,1]=4 22865 B13R1.169 C=C(CO[C@H]1CCC[C@H]1C)C(=O)O 2001768f71a043729e5928849843c1d1 [0,1,0,1,0,0|1,0,1]=4 22866 B13R1.169 CC(=O)C(C)OCC1CCCC1C 0257e260660f34031562d713bc0a9488 [0,1,0,1,0,0|2,0,0]=4 22867 B13R1.169 CC(CNC1CCCC1O)C(=O)O 42315e0f18aab7a1a60260ebe7eddd99 [0,1,0,1,0,0|2,0,0]=4 22868 B13R1.169 CC(CN[C@@H]1CCC[C@@H]1O)C(=O)O 5f61955902434500e3c5fba4d20f5f6b [0,1,0,1,0,0|2,0,0]=4 22869 B13R1.169 CC(CN[C@@H]1CCC[C@H]1O)C(=O)O 0780481aa89c397e6d3604c5ac5214b8 [0,1,0,1,0,0|2,0,0]=4 22870 B13R1.169 CC(CN[C@H]1CCC[C@@H]1O)C(=O)O bd25739a51e2556c2ee51ea040f3c4d2 [0,1,0,1,0,0|2,0,0]=4 22871 B13R1.169 CC(CN[C@H]1CCC[C@H]1O)C(=O)O 5634299ac08f058e122b3bc1cbed6585 [0,1,0,1,0,0|2,0,0]=4 22872 B13R1.169 CC(COC1CCCC1C)C(=O)O fd7780a1eadb28e2cac7da5c359528ca [0,1,0,1,0,0|1,0,0]=3 22873 B13R1.169 CC(COC1COCC1C)C(=O)O 802ef84ecbe40ef11fc2245f811153f2 [0,1,0,1,0,0|2,0,0]=4 22874 B13R1.169 CC(CO[C@@H]1CCC[C@@H]1C)C(=O)O 55f350c6560cda9aca12d6f396fc1f33 [0,1,0,1,0,0|1,0,0]=3 22875 B13R1.169 CC(CO[C@@H]1CCC[C@H]1C)C(=O)O 0345658192b60fc9299ba1e77dadd840 [0,1,0,1,0,0|1,0,0]=3 22876 B13R1.169 CC(CO[C@@H]1CCC[C@H]1F)C(=O)O fc46019a7d7d67027ba17e0350990e04 [0,1,0,1,0,0|2,0,0]=4 22877 B13R1.169 CC(CO[C@@H]1COC[C@@H]1C)C(=O)O 06aac4a334e10357570263eef52ec0f3 [0,1,0,1,0,0|2,0,0]=4 22878 B13R1.169 CC(CO[C@H]1CCC[C@@H]1C)C(=O)O 9c3721b455a0a00aa0512cf31a4b1586 [0,1,0,1,0,0|1,0,0]=3 22879 B13R1.169 CC(CO[C@H]1CCC[C@H]1C)C(=O)O f8ec002beb22ca49af7a1d261b97abd5 [0,1,0,1,0,0|1,0,0]=3 22880 B13R1.169 CC(CO[C@H]1COC[C@@H]1C)C(=O)O 6b16a07b2e5eb6b236e6f55e82f95c15 [0,1,0,1,0,0|2,0,0]=4 22881 B13R1.169 CC(CO[C@H]1COC[C@H]1C)C(=O)O 71142f0bd5fc8e48620aab7e8e00a6da [0,1,0,1,0,0|2,0,0]=4 22882 B13R1.169 CC(NCC1CCCC1O)C(=O)O 03e3e4bc9736029abff91bccb9716d4f [0,1,0,1,0,0|2,0,0]=4 22883 B13R1.169 CC(NCC1CCCN1C)C(=O)O 903399a975feae75e0b8de5962b07903 [0,1,0,1,0,0|2,0,0]=4 22884 B13R1.169 CC(NCC1COCC1C)C(=O)O 0a5d3917d047d7c72ddc360c25ee8442 [0,1,0,1,0,0|2,0,0]=4 22885 B13R1.169 CC(NC[C@@H]1CCCN1C)C(=O)O 6f5c7931ec627b06ddda72ef56437daa [0,1,0,1,0,0|2,0,0]=4 22886 B13R1.169 CC(NC[C@H]1CCCN1C)C(=O)O 3dbe66d1bace3968f95fc13f0236d186 [0,1,0,1,0,0|2,0,0]=4 22887 B13R1.169 CC(OCC1CCCC1C)C(=O)N 8e9fcf761417c6fd73c90dcc6738cf42 [0,1,0,1,0,0|2,0,0]=4 22888 B13R1.169 CC(OCC1CCCC1C)C(=O)O 80a365bf5c013e2a3badd119b46505c8 [0,1,0,1,0,0|1,0,0]=3 22889 B13R1.169 CC(OCC1COCC1C)C(=O)O c95f750806faf1cd17e57958b4f3ec35 [0,1,0,1,0,0|2,0,0]=4 22890 B13R1.169 CC(OCC1OCCC1C)C(=O)O d944d4f42c5a295a54f131cb347628a4 [0,1,0,1,0,0|2,0,0]=4 22891 B13R1.169 CC(OC[C@@H]1CCC[C@H]1F)C(=O)O 20cd45790e7a829dfabba0363c8950f1 [0,1,0,1,0,0|2,0,0]=4 22892 B13R1.169 CC(OC[C@@H]1CCO[C@@H]1C)C(=O)O 440816f8c3a46003834003ce886c184f [0,1,0,1,0,0|2,0,0]=4 22893 B13R1.169 CC1CCCC1COC(F)C(=O)N b6d426332a42fe12f44135eaa5675543 [0,1,0,1,0,0|2,0,0]=4 22894 B13R1.169 CC1CCCC1CO[C@@H](C)C(=O)N 741afb61ad4c2c317d89b2ab57267e19 [0,1,0,1,0,0|2,0,0]=4 22895 B13R1.169 CC1CCCC1CO[C@@H](C)C(=O)O 246d141b23ba078682d1332d0a86c9e8 [0,1,0,1,0,0|1,0,0]=3 22896 B13R1.169 CC1CCCC1CO[C@H](C)C(=O)N 0213d5dadd757fc73b824a06711c5791 [0,1,0,1,0,0|2,0,0]=4 22897 B13R1.169 CC1CCCC1CO[C@H](C)C(=O)O 87448b9a45afa661b720708268f4f5c2 [0,1,0,1,0,0|1,0,0]=3 22898 B13R1.169 CC1CCCC1OCC(=O)C(=O)O c3755a58b4e2d254a4d387bc78d30fbd [0,1,0,1,0,0|1,0,1]=4 22899 B13R1.169 CC1CCOC1COC(F)C(=O)O 475669a75e1de7ded2445c239c3c8f90 [0,1,0,1,0,0|2,0,0]=4 22900 B13R1.169 CC1CCOC1CO[C@@H](C)C(=O)O f0011f86c9f91cdd624b7afb71a6156f [0,1,0,1,0,0|2,0,0]=4 22901 B13R1.169 CC1CCOC1CO[C@@H](F)C(=O)O a314b93a69262dca670007572c6e1fbd [0,1,0,1,0,0|2,0,0]=4 22902 B13R1.169 CC1CCOC1CO[C@H](C)C(=O)O 1d8c4881a2cb29828005a488535b2035 [0,1,0,1,0,0|2,0,0]=4 22903 B13R1.169 CC1COCC1CNC(O)C(=O)O a3a57bf99baa3132ba9c44df8129973d [0,1,0,1,0,0|2,0,0]=4 22904 B13R1.169 CC1COCC1CN[C@@H](C)C(=O)O 9e47a2b2b1a2bf6fef09094de9fc38d8 [0,1,0,1,0,0|2,0,0]=4 22905 B13R1.169 CC1COCC1CN[C@H](C)C(=O)O afc76b8170040d21e35c3725b8f14ef8 [0,1,0,1,0,0|2,0,0]=4 22906 B13R1.169 CC1COCC1CO[C@@H](C)C(=O)O 5160862efe282c34efa48555b2e4b811 [0,1,0,1,0,0|2,0,0]=4 22907 B13R1.169 CC1COCC1CO[C@H](C)C(=O)O 7613310fcc51a463f9b22c3a475486d6 [0,1,0,1,0,0|2,0,0]=4 22908 B13R1.169 CN1CCCC1CNC(F)C(=O)O 7a139dbe1cee8bb31bdb2e421f797e1d [0,1,0,1,0,0|2,0,0]=4 22909 B13R1.169 CN1CCCC1CN[C@@H](F)C(=O)O eff3357ebf5314b81112d7dc62aeefbc [0,1,0,1,0,0|2,0,0]=4 22910 B13R1.169 CN1CCCC1COC(F)C(=O)O 3633eae63c73749e242f5f037acb7336 [0,1,0,1,0,0|2,0,0]=4 22911 B13R1.169 CN1CCCC1CO[C@@H](F)C(=O)O 22aa2a21d40d1011832ed626a5eab166 [0,1,0,1,0,0|2,0,0]=4 22912 B13R1.169 CN1CCC[C@@H]1CNC(F)C(=O)O fe303f81a04d9b1afda1baf53470ab97 [0,1,0,1,0,0|2,0,0]=4 22913 B13R1.169 CN1CCC[C@@H]1CN[C@@H](F)C(=O)O 9fb32097a5438175a3c7e06c3d3d3bc1 [0,1,0,1,0,0|2,0,0]=4 22914 B13R1.169 CN1CCC[C@@H]1COC(F)C(=O)O 1f22b60616edfee2ae10231b688dedb2 [0,1,0,1,0,0|2,0,0]=4 22915 B13R1.169 CN1CCC[C@@H]1CO[C@@H](F)C(=O)O e5b6a7ef88112526465438af0cce3dfa [0,1,0,1,0,0|2,0,0]=4 22916 B13R1.169 CN1CCC[C@H]1CNC(F)C(=O)O 6b3235765256ad33ddf3856a9581fb52 [0,1,0,1,0,0|2,0,0]=4 22917 B13R1.169 CN1CCC[C@H]1CN[C@@H](F)C(=O)O bcd78e76c5f89856c722de425aa59d64 [0,1,0,1,0,0|2,0,0]=4 22918 B13R1.169 CN1CCC[C@H]1COC(F)C(=O)O ac93fa1cd542a11478640177a384b4a6 [0,1,0,1,0,0|2,0,0]=4 22919 B13R1.169 CN1CCC[C@H]1CO[C@@H](F)C(=O)O 93cbec324d7ab381eb92966411eb6c87 [0,1,0,1,0,0|2,0,0]=4 22920 B13R1.169 C[C@@H](CNC1CCCC1O)C(=O)O b6a3ae1829a44699fcfa55f5089d0e67 [0,1,0,1,0,0|2,0,0]=4 22921 B13R1.169 C[C@@H](NCC1CCCC1O)C(=O)O 25607815ace660c198938052e4b04bbc [0,1,0,1,0,0|2,0,0]=4 22922 B13R1.169 C[C@@H](NCC1CCCN1C)C(=O)O c2401b665f135e6f92ade10b13e2dcc6 [0,1,0,1,0,0|2,0,0]=4 22923 B13R1.169 C[C@@H](NC[C@@H]1CCCN1C)C(=O)O 1280687bd4933b5ce483cf54e1ed81ec [0,1,0,1,0,0|2,0,0]=4 22924 B13R1.169 C[C@@H](NC[C@H]1CCCN1C)C(=O)O b4a3a9c3ba3e5d61af203de3592c9c62 [0,1,0,1,0,0|2,0,0]=4 22925 B13R1.169 C[C@@H](OC[C@@H]1CCC[C@H]1F)C(=O)O 64ec0218188e9430bf1f4398a1d12feb [0,1,0,1,0,0|2,0,0]=4 22926 B13R1.169 C[C@@H](OC[C@@H]1CCO[C@@H]1C)C(=O)O bd94c3d44b6a73b7bbc3c787027f397b [0,1,0,1,0,0|2,0,0]=4 22927 B13R1.169 C[C@@H]1CCC[C@@H]1OCC(=O)C(=O)O 127f55e983a487cb6c3d3279e85e0c82 [0,1,0,1,0,0|1,0,1]=4 22928 B13R1.169 C[C@@H]1CCC[C@H]1OCC(=O)C(=O)O 86be6ef61d14beffcff3745f20b11b42 [0,1,0,1,0,0|1,0,1]=4 22929 B13R1.169 C[C@H](CNC1CCCC1O)C(=O)O 5b556a45ad7361cb14a40aed052cc42e [0,1,0,1,0,0|2,0,0]=4 22930 B13R1.169 C[C@H](NCC1CCCC1O)C(=O)O beedc2e6ce770eeb1600afd00c86adea [0,1,0,1,0,0|2,0,0]=4 22931 B13R1.169 C[C@H](NCC1CCCN1C)C(=O)O c40cc96654c590f58e407b9fcaeadd77 [0,1,0,1,0,0|2,0,0]=4 22932 B13R1.169 C[C@H](NC[C@@H]1CCCN1C)C(=O)O 5bea99d2e719852427c259cf9cc3f997 [0,1,0,1,0,0|2,0,0]=4 22933 B13R1.169 C[C@H](NC[C@H]1CCCN1C)C(=O)O dad8d11225fbe83bd1977209224bcaf6 [0,1,0,1,0,0|2,0,0]=4 22934 B13R1.169 C[C@H](OC[C@@H]1CCC[C@H]1F)C(=O)O 5a95e785267ab55c632564baea95b268 [0,1,0,1,0,0|2,0,0]=4 22935 B13R1.169 C[C@H](OC[C@@H]1CCO[C@@H]1C)C(=O)O a598fc4b4ea4c0c5893ba33b14f853e7 [0,1,0,1,0,0|2,0,0]=4 22936 B13R1.169 C[C@H]1CCC[C@@H]1OCC(=O)C(=O)O 26b79cd63b8f7a439c6095b576371112 [0,1,0,1,0,0|1,0,1]=4 22937 B13R1.169 C[C@H]1CCC[C@H]1OCC(=O)C(=O)O 96fcc9cdd2a2102b10d0ffb067331691 [0,1,0,1,0,0|1,0,1]=4 22938 B13R1.169 O=C(O)C(F)NCC1CCCC1O 0ab5306cb2d50f93ebb4679618f8bc84 [0,1,0,1,0,0|2,0,0]=4 22939 B13R1.169 O=C(O)C(O)CNC1CCCC1O 28a5f537f5dda3fbd3864ef88b0caf95 [0,1,0,1,0,0|2,0,0]=4 22940 B13R1.169 O=C(O)C(O)CN[C@@H]1CCC[C@H]1O 100bb6ef496eb23b679ec874366c3dcc [0,1,0,1,0,0|2,0,0]=4 22941 B13R1.169 O=C(O)C(O)CN[C@H]1CCC[C@@H]1O 049c6b00ab92ecb491f28f8f034fa24e [0,1,0,1,0,0|2,0,0]=4 22942 B13R1.169 O=C(O)[C@@H](O)CNC1CCCC1O e81e415ef30c5695113ac710b23f72b9 [0,1,0,1,0,0|2,0,0]=4 22943 B13R1.169 O=C(O)[C@@H](O)CN[C@@H]1CCC[C@H]1O a61ed357d9a64c5dbb26f5b2b438a93e [0,1,0,1,0,0|2,0,0]=4 22944 B13R1.169 O=C(O)[C@@H](O)CN[C@H]1CCC[C@@H]1O 4a90e830c0f1b3f1b874b79eadbfddef [0,1,0,1,0,0|2,0,0]=4 22945 B13R1.169 O=C(O)[C@H](F)NCC1CCCC1O 2f0230446ae012a929fc079312a7a283 [0,1,0,1,0,0|2,0,0]=4 22946 B13R1.169 O=C(O)[C@H](O)CNC1CCCC1O 796100afd89799e0f61bdb699589aac0 [0,1,0,1,0,0|2,0,0]=4 22947 B13R1.169 O=C(O)[C@H](O)CN[C@@H]1CCC[C@H]1O ba2d3c6e0c037c35ea41548df4e2c2bc [0,1,0,1,0,0|2,0,0]=4 22948 B13R1.169 O=C(O)[C@H](O)CN[C@H]1CCC[C@@H]1O ec5590b1b5856849ffc958573d034f2a [0,1,0,1,0,0|2,0,0]=4 22949 B13R1.200 CC(CCCNC1CC1C)C(=O)O ae23ffdb936099b5171e91a857863db3 [0,1,0,1,0,0|1,0,0]=3 22950 B13R1.200 CC(CCCN[C@@H]1C[C@H]1F)C(=O)O b2d111526183bce10e7930ec1391590a [0,1,0,1,0,0|2,0,0]=4 22951 B13R1.200 CC(CCCN[C@H]1C[C@@H]1F)C(=O)O ca19b95a86cc509f755017677a062607 [0,1,0,1,0,0|2,0,0]=4 22952 B13R1.200 CC(CCCN[C@H]1C[C@H]1F)C(=O)O f60e678d1c369a593f8c03590a4aa651 [0,1,0,1,0,0|2,0,0]=4 22953 B13R1.202 C=C(CN1CCCCC1C)C(=O)O 028ef4652d9ebc98fcfff1e70e8924f3 [0,1,0,1,0,0|1,0,1]=4 22954 B13R1.202 C=C(CN1CCCC[C@@H]1C)C(=O)O 807d6fc888383487c56bab83e81117e1 [0,1,0,1,0,0|1,0,1]=4 22955 B13R1.202 C=C(CN1CCCC[C@H]1C)C(=O)O 318dd4149b4b8168eb111a94e9979f08 [0,1,0,1,0,0|1,0,1]=4 22956 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2de84271ace64d62447dc51c32d1054e [0,1,0,1,0,0|2,0,0]=4 22957 B13R1.202 CC(=O)C(C)N[C@@H]1CCCC[C@@H]1C 254ad6794126f3f7d33f2852b77356f3 [0,1,0,1,0,0|2,0,0]=4 22958 B13R1.202 CC(=O)C(C)N[C@@H]1CCCC[C@H]1C 3287e2ab437e4b803e778a3f423b4dac [0,1,0,1,0,0|2,0,0]=4 22959 B13R1.202 CC(=O)C(C)N[C@H]1CCCC[C@@H]1C 5e35f97e8c70e813fd76922bd176bc74 [0,1,0,1,0,0|2,0,0]=4 22960 B13R1.202 CC(=O)C(C)N[C@H]1CCCC[C@H]1C 166453b83ddaffb6b2fde05c32830630 [0,1,0,1,0,0|2,0,0]=4 22961 B13R1.202 CC(=O)C(C)OC1CCCCC1C e0918b12a55c6c92fe582071848f2be9 [0,1,0,1,0,0|2,0,0]=4 22962 B13R1.202 CC(=O)C(C)O[C@@H]1CCCC[C@@H]1C 4789ea3812aaea389e8920e03a755f6b [0,1,0,1,0,0|2,0,0]=4 22963 B13R1.202 CC(=O)C(C)O[C@H]1CCCC[C@@H]1C 2dab01b5a7a4d0e7fe3e73f013d34d37 [0,1,0,1,0,0|2,0,0]=4 22964 B13R1.202 CC(=O)C(C)O[C@H]1CCCC[C@H]1C 18c6c4fa9ec54e3198da5a6a5bc12c75 [0,1,0,1,0,0|2,0,0]=4 22965 B13R1.202 CC(CN1CCCCC1C)C(=O)O df18c1af9029eb81319f971d740cc7eb [0,1,0,1,0,0|1,0,0]=3 22966 B13R1.202 CC(CN1CCCC[C@@H]1C)C(=O)O a295a9eff3e1eb82430a82b4309319b5 [0,1,0,1,0,0|1,0,0]=3 22967 B13R1.202 CC(CN1CCCC[C@H]1C)C(=O)O 4fa97c30dc410ca9fb77217bd401a903 [0,1,0,1,0,0|1,0,0]=3 22968 B13R1.202 CC(CN1CCOCC1C)C(=O)O 57801a98556f0b1d3d7ec6f08243b992 [0,1,0,1,0,0|2,0,0]=4 22969 B13R1.202 CC(CN1CCOC[C@@H]1C)C(=O)O 4e3eb0ac93e961ba0d8e0e01de064c90 [0,1,0,1,0,0|2,0,0]=4 22970 B13R1.202 CC(CN1CCOC[C@H]1C)C(=O)O 2cdc34e236d343338793f72f2ff1dfff [0,1,0,1,0,0|2,0,0]=4 22971 B13R1.202 CC(NC1CCCCC1C)C(=O)N 8fc2b852271a59944926b2aac43874a5 [0,1,0,1,0,0|2,0,0]=4 22972 B13R1.202 CC(NC1CCCCC1C)C(=O)O 5d6b5e948583c96e58b7b8bd5b6826d2 [0,1,0,1,0,0|1,0,0]=3 22973 B13R1.202 CC(NC1CCCCC1F)C(=O)O 72800aa31c510e4042ada93cbc534ad4 [0,1,0,1,0,0|2,0,0]=4 22974 B13R1.202 CC(NC1CCCCC1O)C(=O)O aebe7b60da26c8a2c289251100961ad2 [0,1,0,1,0,0|2,0,0]=4 22975 B13R1.202 CC(NC1CCOCC1C)C(=O)O 484379d248d1d5ff2fbc7e2f06d09aed [0,1,0,1,0,0|2,0,0]=4 22976 B13R1.202 CC(N[C@@H]1CCCC[C@@H]1C)C(=O)N e9f60b1bb132871fc07f8b320d1990ef [0,1,0,1,0,0|2,0,0]=4 22977 B13R1.202 CC(N[C@@H]1CCCC[C@@H]1C)C(=O)O 278c06215463db071c5496005c43c414 [0,1,0,1,0,0|1,0,0]=3 22978 B13R1.202 CC(N[C@@H]1CCCC[C@H]1C)C(=O)N 12cc767477b6cfddbd2ed3577e17493e [0,1,0,1,0,0|2,0,0]=4 22979 B13R1.202 CC(N[C@@H]1CCCC[C@H]1C)C(=O)O 1a6c324662ab1f6a18c40b211d8c7f28 [0,1,0,1,0,0|1,0,0]=3 22980 B13R1.202 CC(N[C@@H]1CCCC[C@H]1O)C(=O)O 4d18b5a81f83554eb2dc0193b82ef4a6 [0,1,0,1,0,0|2,0,0]=4 22981 B13R1.202 CC(N[C@@H]1CCOC[C@@H]1C)C(=O)O 2a2b81c01624c346be3e4cdab9aeb8e2 [0,1,0,1,0,0|2,0,0]=4 22982 B13R1.202 CC(N[C@H]1CCCC[C@@H]1C)C(=O)N 75165512d5fa5f3303e728e56a9325bc [0,1,0,1,0,0|2,0,0]=4 22983 B13R1.202 CC(N[C@H]1CCCC[C@@H]1C)C(=O)O c3dec2cdac8d3438eba3c183189f4bfb [0,1,0,1,0,0|1,0,0]=3 22984 B13R1.202 CC(N[C@H]1CCCC[C@@H]1O)C(=O)O 56abe8ae2f06c6767ce5bebf92b2e622 [0,1,0,1,0,0|2,0,0]=4 22985 B13R1.202 CC(N[C@H]1CCCC[C@H]1C)C(=O)N 18174719c4e60b846392d7956968f9ea [0,1,0,1,0,0|2,0,0]=4 22986 B13R1.202 CC(N[C@H]1CCCC[C@H]1C)C(=O)O 9e88c281f82e1355a6dcd7d5578feebc [0,1,0,1,0,0|1,0,0]=3 22987 B13R1.202 CC(N[C@H]1CCCC[C@H]1O)C(=O)O 7036602a39afdf7a6317794e6606fd46 [0,1,0,1,0,0|2,0,0]=4 22988 B13R1.202 CC(N[C@H]1CCOC[C@H]1C)C(=O)O 0e66a77b83eb5ba54d6575b8aab64e14 [0,1,0,1,0,0|2,0,0]=4 22989 B13R1.202 CC(OC1CCCCC1C)C(=O)N da07c80505d3176d2e53726e2231621b [0,1,0,1,0,0|2,0,0]=4 22990 B13R1.202 CC(OC1CCCCC1C)C(=O)O 9b97962a83a4742c592016975198ee21 [0,1,0,1,0,0|1,0,0]=3 22991 B13R1.202 CC(OC1CCCCC1F)C(=O)O a8fca1fbdf0289aeacf9a0543490814e [0,1,0,1,0,0|2,0,0]=4 22992 B13R1.202 CC(OC1CCOCC1C)C(=O)O 158a195281164e1db968343bfc3e4244 [0,1,0,1,0,0|2,0,0]=4 22993 B13R1.202 CC(O[C@@H]1CCCC[C@@H]1C)C(=O)N f7037330cdca5d4975ce86bb5782bc8d [0,1,0,1,0,0|2,0,0]=4 22994 B13R1.202 CC(O[C@@H]1CCCC[C@@H]1C)C(=O)O cc4d71d5610f33bf11b778807c4189f0 [0,1,0,1,0,0|1,0,0]=3 22995 B13R1.202 CC(O[C@@H]1CCCC[C@H]1F)C(=O)O a2173fcd6314b8aaa4356aa198b12dea [0,1,0,1,0,0|2,0,0]=4 22996 B13R1.202 CC(O[C@H]1CCCC[C@@H]1C)C(=O)N bc52a7bec9860fa2498a4ba84d4153d5 [0,1,0,1,0,0|2,0,0]=4 22997 B13R1.202 CC(O[C@H]1CCCC[C@@H]1C)C(=O)O 9b6d1e3c9971f41449d97e475d4ee4a5 [0,1,0,1,0,0|1,0,0]=3 22998 B13R1.202 CC(O[C@H]1CCCC[C@H]1C)C(=O)N 8884bc23f23a9c071bc4a63e2385bf7b [0,1,0,1,0,0|2,0,0]=4 22999 B13R1.202 CC(O[C@H]1CCCC[C@H]1C)C(=O)O 30326873d77b046aa9cad38cc193a630 [0,1,0,1,0,0|1,0,0]=3 23000 B13R1.202 CC1CCCCC1NC(F)C(=O)N f7d2df82e0bf8f55e6b23c41a2788a09 [0,1,0,1,0,0|2,0,0]=4 23001 B13R1.202 CC1CCCCC1NC(F)C(=O)O 522b3ef0fd7b415ee335df1dba473826 [0,1,0,1,0,0|1,0,0]=3 23002 B13R1.202 CC1CCCCC1N[C@@H](C)C(=O)N 5e1083d12ab3cb7f51835af0599a622e [0,1,0,1,0,0|2,0,0]=4 23003 B13R1.202 CC1CCCCC1N[C@@H](C)C(=O)O df4783cc080e8e5a53df98a9733d82f6 [0,1,0,1,0,0|1,0,0]=3 23004 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)N 6c8d7ff3ffdc5dd4168a5c97ea8c5d47 [0,1,0,1,0,0|2,0,0]=4 23005 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)O 860fdffab079aa0a300263f20f933fbc [0,1,0,1,0,0|1,0,0]=3 23006 B13R1.202 CC1CCCCC1OC(F)C(=O)N ad77337a44b6bdee7d63e52ac4325aae [0,1,0,1,0,0|2,0,0]=4 23007 B13R1.202 CC1CCCCC1O[C@@H](C)C(=O)N 82d569cb7b6ddc3bd9845d1f8e7574e2 [0,1,0,1,0,0|2,0,0]=4 23008 B13R1.202 CC1CCCCC1O[C@@H](C)C(=O)O cf5a16d1fd7a66e25f91b1f999ce97bb [0,1,0,1,0,0|1,0,0]=3 23009 B13R1.202 CC1CCCCC1O[C@H](C)C(=O)N 968362fb426db4db831c264ede68b24e [0,1,0,1,0,0|2,0,0]=4 23010 B13R1.202 CC1CCCCC1O[C@H](C)C(=O)O 4ea8554eb704b42c5240d34c17fd3138 [0,1,0,1,0,0|1,0,0]=3 23011 B13R1.202 CC1CCCCN1CC(=O)C(=O)O 029e4443cbc3620d6f094aab0eacdf79 [0,1,0,1,0,0|1,0,1]=4 23012 B13R1.202 CC1COCCC1NC(F)C(=O)O d5dba2b6d97c5ca67953b1b20f60538d [0,1,0,1,0,0|2,0,0]=4 23013 B13R1.202 CC1COCCC1N[C@@H](C)C(=O)O 510bb9f8678a8e35fc982f446a9d8cb7 [0,1,0,1,0,0|2,0,0]=4 23014 B13R1.202 CC1COCCC1N[C@@H](F)C(=O)O ecc3838bf180a187c3663bf4097e6913 [0,1,0,1,0,0|2,0,0]=4 23015 B13R1.202 CC1COCCC1N[C@H](C)C(=O)O 98a00ee7d4062dbda3b75098ff75a3d8 [0,1,0,1,0,0|2,0,0]=4 23016 B13R1.202 CC1COCCC1OC(F)C(=O)O 23b9b2689582327c699ca8fad61b0af1 [0,1,0,1,0,0|2,0,0]=4 23017 B13R1.202 CC1COCCC1O[C@@H](C)C(=O)O fb80dfaae2a79d2007203b0629a7530c [0,1,0,1,0,0|2,0,0]=4 23018 B13R1.202 CC1COCCC1O[C@@H](F)C(=O)O 16626e7c1c6c0475518840f408ea760c [0,1,0,1,0,0|2,0,0]=4 23019 B13R1.202 CC1COCCC1O[C@H](C)C(=O)O fdfab5074e42dacc1d4d9c4bbd5d8e48 [0,1,0,1,0,0|2,0,0]=4 23020 B13R1.202 CC1COCCN1CC(O)C(=O)O d324f0df4ad139965eaa96b592d3427b [0,1,0,1,0,0|2,0,0]=4 23021 B13R1.202 CC1COCCN1C[C@H](O)C(=O)O 0482ba44c108d2e7aee10922f5e85a26 [0,1,0,1,0,0|2,0,0]=4 23022 B13R1.202 C[C@@H](NC1CCCCC1F)C(=O)O ab7a04a06cbeecd34302d5801f268f53 [0,1,0,1,0,0|2,0,0]=4 23023 B13R1.202 C[C@@H](NC1CCCCC1O)C(=O)O 44da4e5afc343a2d1d3d99b52ea268bb [0,1,0,1,0,0|2,0,0]=4 23024 B13R1.202 C[C@@H](N[C@@H]1CCCC[C@@H]1C)C(=O)N e9889c72a6131a5f4e3c7c0ff31b28a9 [0,1,0,1,0,0|2,0,0]=4 23025 B13R1.202 C[C@@H](N[C@@H]1CCCC[C@@H]1C)C(=O)O 12d1757da58f6317c8434b3017a846a8 [0,1,0,1,0,0|1,0,0]=3 23026 B13R1.202 C[C@@H](N[C@@H]1CCCC[C@H]1O)C(=O)O 0815829877c4735abd6e59c5b1c628a4 [0,1,0,1,0,0|2,0,0]=4 23027 B13R1.202 C[C@@H](N[C@@H]1CCOC[C@@H]1C)C(=O)O 744866f067204a2677f5fa373c3cc0ca [0,1,0,1,0,0|2,0,0]=4 23028 B13R1.202 C[C@@H](N[C@H]1CCCC[C@@H]1C)C(=O)N 17542dc71e97bd6ce83f22d9263fafac [0,1,0,1,0,0|2,0,0]=4 23029 B13R1.202 C[C@@H](N[C@H]1CCCC[C@@H]1C)C(=O)O 7787d6b54e9f9c2efee5fca021f2b48e [0,1,0,1,0,0|1,0,0]=3 23030 B13R1.202 C[C@@H](N[C@H]1CCCC[C@@H]1O)C(=O)O 5d3a354fa0e678cb4149b4deadcf45b1 [0,1,0,1,0,0|2,0,0]=4 23031 B13R1.202 C[C@@H](N[C@H]1CCCC[C@H]1O)C(=O)O 575376754936ef9e4ab033388cc18f9e [0,1,0,1,0,0|2,0,0]=4 23032 B13R1.202 C[C@@H](OC1CCCCC1F)C(=O)O 2664672abd0bf22522f516a3a7af5151 [0,1,0,1,0,0|2,0,0]=4 23033 B13R1.202 C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)N 74fec2e0640b27474367ba194f935979 [0,1,0,1,0,0|2,0,0]=4 23034 B13R1.202 C[C@@H](O[C@@H]1CCCC[C@@H]1C)C(=O)O a775366d5a66f7250b9cdc8ab17ccde3 [0,1,0,1,0,0|1,0,0]=3 23035 B13R1.202 C[C@@H](O[C@@H]1CCCC[C@H]1F)C(=O)O fd68f2b0aed46c58aba766d9ca6702b9 [0,1,0,1,0,0|2,0,0]=4 23036 B13R1.202 C[C@@H](O[C@H]1CCCC[C@@H]1C)C(=O)N 911482175cf4fedef8d5b5d91626dd9d [0,1,0,1,0,0|2,0,0]=4 23037 B13R1.202 C[C@@H](O[C@H]1CCCC[C@@H]1C)C(=O)O 4a843358e3a015f6b26f26fa90e39f1e [0,1,0,1,0,0|1,0,0]=3 23038 B13R1.202 C[C@@H]1CCCCN1CC(=O)C(=O)O dd35e7f8b0e155ca4cc215aaaff0e31a [0,1,0,1,0,0|1,0,1]=4 23039 B13R1.202 C[C@@H]1CCCC[C@@H]1NC(F)C(=O)N c4e903bc5f66f3bbd65987be90e0750a [0,1,0,1,0,0|2,0,0]=4 23040 B13R1.202 C[C@@H]1CCCC[C@@H]1NC(F)C(=O)O b84431ebb9a01e2ac6e4f4a8d0a0d0d9 [0,1,0,1,0,0|1,0,0]=3 23041 B13R1.202 C[C@@H]1CCCC[C@@H]1NC(O)C(=O)O 7bf35f4836a12c9754028c1e8fb3027c [0,1,0,1,0,0|1,0,0]=3 23042 B13R1.202 C[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)N 6da28b9cd8493b303589166f380332e3 [0,1,0,1,0,0|2,0,0]=4 23043 B13R1.202 C[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)O 9dafdf61d4583a373442e25759cf8ef7 [0,1,0,1,0,0|1,0,0]=3 23044 B13R1.202 C[C@@H]1CCCC[C@@H]1OC(F)C(=O)N 6bb0e335ab7fa32159fcbb3292e9d925 [0,1,0,1,0,0|2,0,0]=4 23045 B13R1.202 C[C@@H]1CCCC[C@@H]1O[C@H](C)C(=O)N 148a3d3b647754735f51d120490a80bb [0,1,0,1,0,0|2,0,0]=4 23046 B13R1.202 C[C@@H]1CCCC[C@@H]1O[C@H](C)C(=O)O 1259911b64f46b77d9305a4fada091ab [0,1,0,1,0,0|1,0,0]=3 23047 B13R1.202 C[C@@H]1CCCC[C@H]1NC(F)C(=O)N 369b46437204f040683063bcb061540b [0,1,0,1,0,0|2,0,0]=4 23048 B13R1.202 C[C@@H]1CCCC[C@H]1NC(F)C(=O)O dec561a6ca35e5199feaccbcc89aa4eb [0,1,0,1,0,0|1,0,0]=3 23049 B13R1.202 C[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)N 3428830bb65294804d8c9ce33ead267c [0,1,0,1,0,0|2,0,0]=4 23050 B13R1.202 C[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)O 927868f3a633dc93f49ce837ab600360 [0,1,0,1,0,0|1,0,0]=3 23051 B13R1.202 C[C@@H]1COCCN1CC(O)C(=O)O c4c54edf7a851d9a22559a83fcd9f402 [0,1,0,1,0,0|2,0,0]=4 23052 B13R1.202 C[C@@H]1COCCN1C[C@H](O)C(=O)O 285ad8f88aa4d464a21cd43267c29d22 [0,1,0,1,0,0|2,0,0]=4 23053 B13R1.202 C[C@@H]1COCC[C@@H]1NC(F)C(=O)O ab98101f307351cad45ec459f18fa186 [0,1,0,1,0,0|2,0,0]=4 23054 B13R1.202 C[C@@H]1COCC[C@@H]1N[C@@H](F)C(=O)O e6670ac1496b5a3c1a654db3fcaa5022 [0,1,0,1,0,0|2,0,0]=4 23055 B13R1.202 C[C@@H]1COCC[C@@H]1N[C@H](C)C(=O)O bc117c707d961135e5defb4e08f10a75 [0,1,0,1,0,0|2,0,0]=4 23056 B13R1.202 C[C@H](NC1CCCCC1F)C(=O)O 0612b90f20067fcdd87448ce369a9412 [0,1,0,1,0,0|2,0,0]=4 23057 B13R1.202 C[C@H](NC1CCCCC1O)C(=O)O 7ad1a7f65023023699bc9f89c07ea246 [0,1,0,1,0,0|2,0,0]=4 23058 B13R1.202 C[C@H](N[C@@H]1CCCC[C@@H]1C)C(=O)N ae2dd5d77fb93175167552685ef8fbd3 [0,1,0,1,0,0|2,0,0]=4 23059 B13R1.202 C[C@H](N[C@@H]1CCCC[C@@H]1C)C(=O)O 2781ccdf344ed20ec51c699fa8f317b5 [0,1,0,1,0,0|1,0,0]=3 23060 B13R1.202 C[C@H](N[C@@H]1CCCC[C@H]1C)C(=O)N b74a5ac1e86125c8ec8f8120a453d4cb [0,1,0,1,0,0|2,0,0]=4 23061 B13R1.202 C[C@H](N[C@@H]1CCCC[C@H]1C)C(=O)O c588c8bd0a1926af8644cb4965636d8a [0,1,0,1,0,0|1,0,0]=3 23062 B13R1.202 C[C@H](N[C@@H]1CCCC[C@H]1O)C(=O)O 5231f84a102a824a2e841110ccb44372 [0,1,0,1,0,0|2,0,0]=4 23063 B13R1.202 C[C@H](N[C@@H]1CCOC[C@@H]1C)C(=O)O 178a31b684b8997b6cc93730931d115c [0,1,0,1,0,0|2,0,0]=4 23064 B13R1.202 C[C@H](N[C@H]1CCCC[C@@H]1C)C(=O)N d2b152b3d14e64303d7226bb9a3e41e2 [0,1,0,1,0,0|2,0,0]=4 23065 B13R1.202 C[C@H](N[C@H]1CCCC[C@@H]1C)C(=O)O d2b242fcab2ded9d22e475eb838800f6 [0,1,0,1,0,0|1,0,0]=3 23066 B13R1.202 C[C@H](N[C@H]1CCCC[C@@H]1O)C(=O)O de1d8ea6bcc04ae06fa7dee925d5ee7a [0,1,0,1,0,0|2,0,0]=4 23067 B13R1.202 C[C@H](N[C@H]1CCCC[C@H]1C)C(=O)N 42b058e3ea456316104d86e30d157784 [0,1,0,1,0,0|2,0,0]=4 23068 B13R1.202 C[C@H](N[C@H]1CCCC[C@H]1C)C(=O)O c202ba41caca0ecccefc521e8dc3458c [0,1,0,1,0,0|1,0,0]=3 23069 B13R1.202 C[C@H](N[C@H]1CCCC[C@H]1O)C(=O)O e1d144f0975da5145dcd440cc68c8f5c [0,1,0,1,0,0|2,0,0]=4 23070 B13R1.202 C[C@H](N[C@H]1CCOC[C@H]1C)C(=O)O 548862cbdf57bb37b79a04519c15a90e [0,1,0,1,0,0|2,0,0]=4 23071 B13R1.202 C[C@H](OC1CCCCC1F)C(=O)O 247425b869481a647ec3ce2252c70cf6 [0,1,0,1,0,0|2,0,0]=4 23072 B13R1.202 C[C@H](O[C@@H]1CCCC[C@@H]1C)C(=O)N 10b7762cfcfadd72505d2ddb3559fd67 [0,1,0,1,0,0|2,0,0]=4 23073 B13R1.202 C[C@H](O[C@@H]1CCCC[C@@H]1C)C(=O)O 9cb8c856a23b3b999cad56a4c9e74cc4 [0,1,0,1,0,0|1,0,0]=3 23074 B13R1.202 C[C@H](O[C@@H]1CCCC[C@H]1F)C(=O)O 0da470da1392f747d5da73226828e66b [0,1,0,1,0,0|2,0,0]=4 23075 B13R1.202 C[C@H](O[C@H]1CCCC[C@@H]1C)C(=O)N 1ff1f78b3441801be7343400d2539ce8 [0,1,0,1,0,0|2,0,0]=4 23076 B13R1.202 C[C@H](O[C@H]1CCCC[C@@H]1C)C(=O)O 0f3c35bdfe98a68069ded2e701fd6f7c [0,1,0,1,0,0|1,0,0]=3 23077 B13R1.202 C[C@H](O[C@H]1CCCC[C@H]1C)C(=O)N db5a37f2900ed4a9b202124b19541462 [0,1,0,1,0,0|2,0,0]=4 23078 B13R1.202 C[C@H](O[C@H]1CCCC[C@H]1C)C(=O)O 946d8d1c662a242a8d78509e5fceed09 [0,1,0,1,0,0|1,0,0]=3 23079 B13R1.202 C[C@H]1CCCCN1CC(=O)C(=O)O ec68c49bc54cae6fb2e7d556354bfd9c [0,1,0,1,0,0|1,0,1]=4 23080 B13R1.202 C[C@H]1CCCC[C@@H]1NC(F)C(=O)N 06b7905e86e111df91c96268ce330901 [0,1,0,1,0,0|2,0,0]=4 23081 B13R1.202 C[C@H]1CCCC[C@@H]1NC(F)C(=O)O 48e27621b7945a73323dc8bab1016b07 [0,1,0,1,0,0|1,0,0]=3 23082 B13R1.202 C[C@H]1CCCC[C@@H]1OC(F)C(=O)N 26ae77fe32a21f087f0d3bfb7a3548d5 [0,1,0,1,0,0|2,0,0]=4 23083 B13R1.202 C[C@H]1CCCC[C@H]1NC(F)C(=O)N a72fa547971f3ab4a31d09ab67d42e90 [0,1,0,1,0,0|2,0,0]=4 23084 B13R1.202 C[C@H]1CCCC[C@H]1NC(F)C(=O)O adf3f381f55f26664ec9806e9bfe70f4 [0,1,0,1,0,0|1,0,0]=3 23085 B13R1.202 C[C@H]1CCCC[C@H]1OC(F)C(=O)N a58fadd661156049021d583041c094f8 [0,1,0,1,0,0|2,0,0]=4 23086 B13R1.202 C[C@H]1COCCN1CC(O)C(=O)O f3b1e178e51792f38b12a4eb9f69d608 [0,1,0,1,0,0|2,0,0]=4 23087 B13R1.202 C[C@H]1COCCN1C[C@H](O)C(=O)O 34d0482ad2e906e36db3415f96f060c8 [0,1,0,1,0,0|2,0,0]=4 23088 B13R1.202 C[C@H]1COCC[C@H]1NC(F)C(=O)O 70d3976a57e4b9d3519b8ed47381cb23 [0,1,0,1,0,0|2,0,0]=4 23089 B13R1.202 C[C@H]1COCC[C@H]1N[C@@H](F)C(=O)O 6537c62bfc238f572db378f4c698ded9 [0,1,0,1,0,0|2,0,0]=4 23090 B13R1.202 O=C(O)C(F)NC1CCCCC1O 7055adaf6ce26a70842fa418843715b2 [0,1,0,1,0,0|2,0,0]=4 23091 B13R1.202 O=C(O)C(F)N[C@@H]1CCCC[C@H]1O 567dc3eb73466cd92dda9b27a601a8bf [0,1,0,1,0,0|2,0,0]=4 23092 B13R1.202 O=C(O)C(F)N[C@H]1CCCC[C@@H]1O d9b3897a20926a9bce54b785196cc39c [0,1,0,1,0,0|2,0,0]=4 23093 B13R1.202 O=C(O)C(F)N[C@H]1CCCC[C@H]1O af15e5372fa4277e18454f639421be09 [0,1,0,1,0,0|2,0,0]=4 23094 B13R1.202 O=C(O)C(F)OC1CCCCC1F 11e61dd6d2f3b1971c10547c2c079f75 [0,1,0,1,0,0|2,0,0]=4 23095 B13R1.202 O=C(O)C(F)O[C@@H]1CCCC[C@H]1F 4e55115066e533497a3c3482bbc1d408 [0,1,0,1,0,0|2,0,0]=4 23096 B13R1.202 O=C(O)C(O)NC1CCCCC1F 4598c5768dd6284e07cbcb698dd708a4 [0,1,0,1,0,0|2,0,0]=4 23097 B13R1.202 O=C(O)[C@H](F)NC1CCCCC1O 3a36c8eb4db8fd57c1ff14cb1c724dd5 [0,1,0,1,0,0|2,0,0]=4 23098 B13R1.202 O=C(O)[C@H](F)N[C@@H]1CCCC[C@H]1O 6d942d1a64aabe4475e9faaa63bc6763 [0,1,0,1,0,0|2,0,0]=4 23099 B13R1.202 O=C(O)[C@H](F)N[C@H]1CCCC[C@@H]1O 15053bed266be40e002d2750a63dbd6b [0,1,0,1,0,0|2,0,0]=4 23100 B13R1.202 O=C(O)[C@H](F)N[C@H]1CCCC[C@H]1O 5d07af388a108d10ef055987b7855bdd [0,1,0,1,0,0|2,0,0]=4 23101 B13R1.248 COC[C@@H]1C[C@@H]1NCC(C)C(=O)O 847d722b051ef579304918a859b17546 [0,1,0,1,0,0|2,0,0]=4 23102 B13R1.248 COC[C@@H]1C[C@@H]1NCC(O)C(=O)O 10c1a79f5c52999be1b554112ea3e206 [0,1,0,1,0,0|2,0,0]=4 23103 B13R1.248 COC[C@@H]1C[C@@H]1NC[C@H](O)C(=O)O f675725cea9754c71364d4fc993348ba [0,1,0,1,0,0|2,0,0]=4 23104 B13R1.248 COC[C@H]1C[C@@H]1NCC(C)C(=O)O 97c8369b12d46f45945be4d71fad8715 [0,1,0,1,0,0|2,0,0]=4 23105 B13R1.248 COC[C@H]1C[C@@H]1NCC(O)C(=O)O 69e4102d959305bed0fc9329fef9351a [0,1,0,1,0,0|2,0,0]=4 23106 B13R1.248 COC[C@H]1C[C@@H]1NC[C@H](O)C(=O)O 9c65a349cd3dff6e43437467f58788b2 [0,1,0,1,0,0|2,0,0]=4 23107 B13R1.278 CC(CNCC1CCN1C)C(=O)O b9d8ac33b2b2f64683f288b59f03ba73 [0,1,0,1,0,0|2,0,0]=4 23108 B13R1.278 CC(COCC1CCC1F)C(=O)O e7db3dfa819ccf384f2d097b26405ad6 [0,1,0,1,0,0|2,0,0]=4 23109 B13R1.278 CC(COCC1CCN1C)C(=O)O 3ed8b8eba3f3886e43855b2c9e0c0461 [0,1,0,1,0,0|2,0,0]=4 23110 B13R1.278 CC(COC[C@@H]1CCN1C)C(=O)O 7cd2214251da74e2c91578f9d4abdec7 [0,1,0,1,0,0|2,0,0]=4 23111 B13R1.278 CC(COC[C@H]1CCN1C)C(=O)O 0bfa38a5d801fe64b85973b7c1dd4f41 [0,1,0,1,0,0|2,0,0]=4 23112 B13R1.351 C=C(COC1CCCCC1)C(=O)O 046c4ef450c56d168592aae2c9fc193b [0,1,0,1,0,0|1,0,1]=4 23113 B13R1.351 CC(=O)C(C)COC1CCCCC1 f036c532d8982cb48a708095dd7a683a [0,1,0,1,0,0|2,0,0]=4 23114 B13R1.351 CC(=O)C(C)NCC1CCCCC1 870bd494bcab4db790d442d3183ce0f5 [0,1,0,1,0,0|2,0,0]=4 23115 B13R1.351 CC(=O)C(C)OCC1CCCCC1 e9d87f630a8f677049b2ce56f87944e8 [0,1,0,1,0,0|2,0,0]=4 23116 B13R1.351 CC(=O)N(C)CCC1CCCCC1 54592d5ca822098a1c54877ec42eb633 [0,1,0,1,0,0|2,0,0]=4 23117 B13R1.351 CC(CNC1CCCCC1)C(=O)O 46558336d9bdf6ea762960ad60a223ea [0,1,0,1,0,0|1,0,0]=3 23118 B13R1.351 CC(CNC1CCCCO1)C(=O)O 705cebbb2fa1d60dc1a33e48f1bb81e3 [0,1,0,1,0,0|2,0,0]=4 23119 B13R1.351 CC(CNC1CCCOC1)C(=O)O 09ee46a2f555bdce00b34c81604c5adc [0,1,0,1,0,0|2,0,0]=4 23120 B13R1.351 CC(CNC1CCOCC1)C(=O)O d8cc53317423e5ff20db5c378bd4051e [0,1,0,1,0,0|2,0,0]=4 23121 B13R1.351 CC(CNC1CCSCC1)C(=O)O 52e3eb4b5b2d8a0083bcb7e0b47b0663 [0,1,0,1,0,0|2,0,0]=4 23122 B13R1.351 CC(CN[C@@H]1CCCOC1)C(=O)O faa369f554d32a5455fa6495bf0a7474 [0,1,0,1,0,0|2,0,0]=4 23123 B13R1.351 CC(CN[C@H]1CCCOC1)C(=O)O d33dc5773e5a3dbaa5080aed12a71a84 [0,1,0,1,0,0|2,0,0]=4 23124 B13R1.351 CC(COC1CCCCC1)C(=O)O 4630271ddc19bc7b06caad6e92611cb4 [0,1,0,1,0,0|1,0,0]=3 23125 B13R1.351 CC(COC1CCCCO1)C(=O)O 8049fc79ffa84f2ab26ac8c1588efebf [0,1,0,1,0,0|2,0,0]=4 23126 B13R1.351 CC(COC1CCCOC1)C(=O)O c10877b636fe82cf17366a5929ee257e [0,1,0,1,0,0|2,0,0]=4 23127 B13R1.351 CC(COC1CCCSC1)C(=O)O 4481bfbf909d076f8286e3480badfa06 [0,1,0,1,0,0|2,0,0]=4 23128 B13R1.351 CC(COC1CCOCC1)C(=O)O c5a3f35a8e9418584d5ad7574834abe1 [0,1,0,1,0,0|2,0,0]=4 23129 B13R1.351 CC(COC1CCSCC1)C(=O)O a7fcf47d20db5d258b462f9247d7661d [0,1,0,1,0,0|2,0,0]=4 23130 B13R1.351 CC(CO[C@@H]1CCCOC1)C(=O)O 6db890e8870974b39a5d4b1efd53b436 [0,1,0,1,0,0|2,0,0]=4 23131 B13R1.351 CC(CO[C@H]1CCCOC1)C(=O)O efc2b1163b0abe9ba79609b72f07af83 [0,1,0,1,0,0|2,0,0]=4 23132 B13R1.351 CC(NCC1CCCCC1)C(=O)N 36283bbcccac9276faa0785809feed3a [0,1,0,1,0,0|2,0,0]=4 23133 B13R1.351 CC(NCC1CCCCC1)C(=O)O 06355b3b3b7b45b560a51fd482cb0400 [0,1,0,1,0,0|1,0,0]=3 23134 B13R1.351 CC(NCC1CCCCO1)C(=O)O 27fffea89a76b5f3a4be7a0642ade15f [0,1,0,1,0,0|2,0,0]=4 23135 B13R1.351 CC(NCC1CCCOC1)C(=O)O e8799e6a5a37c69f23bf9825b947402b [0,1,0,1,0,0|2,0,0]=4 23136 B13R1.351 CC(NCC1CCOCC1)C(=O)O c68fc27ad60db9d9caf28084bcdbed3d [0,1,0,1,0,0|2,0,0]=4 23137 B13R1.351 CC(NCC1CCSCC1)C(=O)O 71e349706c4fbda184407c7ce30940a3 [0,1,0,1,0,0|2,0,0]=4 23138 B13R1.351 CC(NC[C@@H]1CCCOC1)C(=O)O 6035ed183300ae52fa0c5c819c9d6341 [0,1,0,1,0,0|2,0,0]=4 23139 B13R1.351 CC(NC[C@H]1CCCOC1)C(=O)O 2efbee988f5eca4f7abc6faeeb5a5c57 [0,1,0,1,0,0|2,0,0]=4 23140 B13R1.351 CC(OCC1CCCCC1)C(=O)N b859dadce55d96923270066a7ecafa68 [0,1,0,1,0,0|2,0,0]=4 23141 B13R1.351 CC(OCC1CCCCC1)C(=O)O a352032000a0bc109c2b50454e3fb6c8 [0,1,0,1,0,0|1,0,0]=3 23142 B13R1.351 CC(OCC1CCCCO1)C(=O)O f2d80d512bcf183a44081ed65bd8439f [0,1,0,1,0,0|2,0,0]=4 23143 B13R1.351 CC(OCC1CCCOC1)C(=O)O 5f19a8b063c7bafc98578cd9220196b2 [0,1,0,1,0,0|2,0,0]=4 23144 B13R1.351 CC(OCC1CCOCC1)C(=O)O 29d903805d09ff525cdcf7b5f95f606b [0,1,0,1,0,0|2,0,0]=4 23145 B13R1.351 CC(OC[C@@H]1CCCCO1)C(=O)O 43970063c0c487518eb22207f37cec75 [0,1,0,1,0,0|2,0,0]=4 23146 B13R1.351 CC(OC[C@@H]1CCCOC1)C(=O)O 87538ffd48e09d89f699ec9d55610e2d [0,1,0,1,0,0|2,0,0]=4 23147 B13R1.351 CC(OC[C@H]1CCCCO1)C(=O)O 6db1fa009f127eb3b8058f23a810111f [0,1,0,1,0,0|2,0,0]=4 23148 B13R1.351 CC(OC[C@H]1CCCOC1)C(=O)O d96c2e1565f6dfdc7c99c814ef7e15a2 [0,1,0,1,0,0|2,0,0]=4 23149 B13R1.351 C[C@@H](CNC1CCCCC1)C(=O)O e13561b901907473eacf7acd97370f93 [0,1,0,1,0,0|1,0,0]=3 23150 B13R1.351 C[C@@H](CNC1CCCCO1)C(=O)O a9ef9382af36705304645f0746c491c1 [0,1,0,1,0,0|2,0,0]=4 23151 B13R1.351 C[C@@H](CNC1CCOCC1)C(=O)O a014a77e070ba424ee8eefeec7a8e33a [0,1,0,1,0,0|2,0,0]=4 23152 B13R1.351 C[C@@H](CNC1CCSCC1)C(=O)O 8edfe158d0ac0817bb6b309b6497f767 [0,1,0,1,0,0|2,0,0]=4 23153 B13R1.351 C[C@@H](COC1CCCCC1)C(=O)O 871df09f25e0ac84ad444a7345b9b544 [0,1,0,1,0,0|1,0,0]=3 23154 B13R1.351 C[C@@H](COC1CCCCO1)C(=O)O a164be2d432a70e1b664c7c7f2aa6bc9 [0,1,0,1,0,0|2,0,0]=4 23155 B13R1.351 C[C@@H](COC1CCOCC1)C(=O)O 9a5653b69a3279c2dcd274a820c1284a [0,1,0,1,0,0|2,0,0]=4 23156 B13R1.351 C[C@@H](COC1CCSCC1)C(=O)O 074961cf40ea6e30854fb4ed29664498 [0,1,0,1,0,0|2,0,0]=4 23157 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 38f702715ab2977de46cfed469f37ef3 [0,1,0,1,0,0|2,0,0]=4 23158 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)O 364b7b7c1d8710f34de696f2d337906e [0,1,0,1,0,0|1,0,0]=3 23159 B13R1.351 C[C@@H](NCC1CCCCO1)C(=O)O db0c748ddc39bc0029a418b030d293f8 [0,1,0,1,0,0|2,0,0]=4 23160 B13R1.351 C[C@@H](NCC1CCCOC1)C(=O)O cd3912efbab0000461cf328f0ac06ba0 [0,1,0,1,0,0|2,0,0]=4 23161 B13R1.351 C[C@@H](NCC1CCOCC1)C(=O)O 8166e45ece5d2c70978f69ede7d3d873 [0,1,0,1,0,0|2,0,0]=4 23162 B13R1.351 C[C@@H](NCC1CCSCC1)C(=O)O b6e79b9ad57fdd81b8843b53718b174a [0,1,0,1,0,0|2,0,0]=4 23163 B13R1.351 C[C@@H](NC[C@@H]1CCCOC1)C(=O)O 9a9a4b78ca20245542a439274c660c05 [0,1,0,1,0,0|2,0,0]=4 23164 B13R1.351 C[C@@H](NC[C@H]1CCCOC1)C(=O)O a33b9dca2b0d31be21dd9cc712bfbd30 [0,1,0,1,0,0|2,0,0]=4 23165 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 3131971efb5b25a832d658183cc8ae75 [0,1,0,1,0,0|2,0,0]=4 23166 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)O 1f212f784a28f28890a91fa9ccca1383 [0,1,0,1,0,0|1,0,0]=3 23167 B13R1.351 C[C@@H](OCC1CCCCO1)C(=O)O 5ce9cfaa6f7a9391d6053fa22afc18d8 [0,1,0,1,0,0|2,0,0]=4 23168 B13R1.351 C[C@@H](OCC1CCCOC1)C(=O)O 8a2183c63d71bb073f2d50a86a84b72c [0,1,0,1,0,0|2,0,0]=4 23169 B13R1.351 C[C@@H](OCC1CCOCC1)C(=O)O a7a3d913057b5bc1504a7208dbaeb4a3 [0,1,0,1,0,0|2,0,0]=4 23170 B13R1.351 C[C@@H](OC[C@@H]1CCCCO1)C(=O)O d46e393fd60a97d1283da7a04e5ba320 [0,1,0,1,0,0|2,0,0]=4 23171 B13R1.351 C[C@@H](OC[C@@H]1CCCOC1)C(=O)O d606cfe304555c314ba20357497007ae [0,1,0,1,0,0|2,0,0]=4 23172 B13R1.351 C[C@@H](OC[C@H]1CCCCO1)C(=O)O 09ff1accf1bf016d9cd3121d5098b08a [0,1,0,1,0,0|2,0,0]=4 23173 B13R1.351 C[C@@H](OC[C@H]1CCCOC1)C(=O)O ba583edf466eb4a7cda0ce800ee01b79 [0,1,0,1,0,0|2,0,0]=4 23174 B13R1.351 C[C@H](CNC1CCCCC1)C(=O)O 1719b321a3515790fc196e6ec7c35d7b [0,1,0,1,0,0|1,0,0]=3 23175 B13R1.351 C[C@H](CNC1CCCCO1)C(=O)O 5362cef92b89d77fc19a28953b974902 [0,1,0,1,0,0|2,0,0]=4 23176 B13R1.351 C[C@H](CNC1CCOCC1)C(=O)O cabc1db4441ac160ff8c4d6e8e4e27a7 [0,1,0,1,0,0|2,0,0]=4 23177 B13R1.351 C[C@H](CNC1CCSCC1)C(=O)O b3db4288d2c865dd8a547e9335159055 [0,1,0,1,0,0|2,0,0]=4 23178 B13R1.351 C[C@H](COC1CCCCC1)C(=O)O c21fc71356e1009482c4e32c78db4289 [0,1,0,1,0,0|1,0,0]=3 23179 B13R1.351 C[C@H](COC1CCCCO1)C(=O)O 807ea8a5fd71da5986b0be8b8a7d4af2 [0,1,0,1,0,0|2,0,0]=4 23180 B13R1.351 C[C@H](COC1CCOCC1)C(=O)O a8263b99d36ea091f2446d3b527c9f48 [0,1,0,1,0,0|2,0,0]=4 23181 B13R1.351 C[C@H](COC1CCSCC1)C(=O)O b8439fd3b0f51919a5686449309284d3 [0,1,0,1,0,0|2,0,0]=4 23182 B13R1.351 C[C@H](NCC1CCCCC1)C(=O)N f4419584dfe6c70d931f0c0731c95ea6 [0,1,0,1,0,0|2,0,0]=4 23183 B13R1.351 C[C@H](NCC1CCCCC1)C(=O)O c1a5e3a6d59fc0d3666eae34616722e9 [0,1,0,1,0,0|1,0,0]=3 23184 B13R1.351 C[C@H](NCC1CCCCO1)C(=O)O 9a2e0f2440612780f0f591ab6dd27ee7 [0,1,0,1,0,0|2,0,0]=4 23185 B13R1.351 C[C@H](NCC1CCCOC1)C(=O)O e4f1581ce859e2f42c1358b77b17262e [0,1,0,1,0,0|2,0,0]=4 23186 B13R1.351 C[C@H](NCC1CCOCC1)C(=O)O 7380415f13f740f5ab5183f6ae973661 [0,1,0,1,0,0|2,0,0]=4 23187 B13R1.351 C[C@H](NCC1CCSCC1)C(=O)O 75b8c2c3ce5cbc760fff9545cd7f43ae [0,1,0,1,0,0|2,0,0]=4 23188 B13R1.351 C[C@H](NC[C@@H]1CCCOC1)C(=O)O 08b0657472972a9d4baa79eeb7ad1d93 [0,1,0,1,0,0|2,0,0]=4 23189 B13R1.351 C[C@H](NC[C@H]1CCCOC1)C(=O)O cad6d68fa6f7c4ff08d5bbab783ba62d [0,1,0,1,0,0|2,0,0]=4 23190 B13R1.351 C[C@H](OCC1CCCCC1)C(=O)N 3dd2f14759acaaaeda9d8191c6258f36 [0,1,0,1,0,0|2,0,0]=4 23191 B13R1.351 C[C@H](OCC1CCCCC1)C(=O)O d18994ce4f3503012efc11cdb1fe92a3 [0,1,0,1,0,0|1,0,0]=3 23192 B13R1.351 C[C@H](OCC1CCCCO1)C(=O)O b75d426261aa189be92aba1aa94a9956 [0,1,0,1,0,0|2,0,0]=4 23193 B13R1.351 C[C@H](OCC1CCCOC1)C(=O)O b37cc7a35ff76b1c3bb390a4486790bf [0,1,0,1,0,0|2,0,0]=4 23194 B13R1.351 C[C@H](OCC1CCOCC1)C(=O)O 35c4790d603b5b893f3f76f90793e52f [0,1,0,1,0,0|2,0,0]=4 23195 B13R1.351 C[C@H](OC[C@@H]1CCCCO1)C(=O)O 3872285adcb8a52f1e765cf64aa981d7 [0,1,0,1,0,0|2,0,0]=4 23196 B13R1.351 C[C@H](OC[C@@H]1CCCOC1)C(=O)O a45f60e436cc3480496f9ff6ec895d22 [0,1,0,1,0,0|2,0,0]=4 23197 B13R1.351 C[C@H](OC[C@H]1CCCCO1)C(=O)O 2f723ebab65ffeb6717ada38c914429b [0,1,0,1,0,0|2,0,0]=4 23198 B13R1.351 C[C@H](OC[C@H]1CCCOC1)C(=O)O f1039bdbd166efe37ebf78bbe86c0369 [0,1,0,1,0,0|2,0,0]=4 23199 B13R1.351 NC(=O)C(F)NCC1CCCCC1 e86be4737a4ad907cdc47a96e5d3fef2 [0,1,0,1,0,0|2,0,0]=4 23200 B13R1.351 NC(=O)C(F)OCC1CCCCC1 678e04a49e92220333107687d7e660f3 [0,1,0,1,0,0|2,0,0]=4 23201 B13R1.351 O=C(O)C(=O)COC1CCCCC1 c407e5ad495f1b8393a69a91e28599d4 [0,1,0,1,0,0|1,0,1]=4 23202 B13R1.351 O=C(O)C(F)CNC1CCCCC1 44a39716d2eced78f7941a6abde5a5c6 [0,1,0,1,0,0|1,0,0]=3 23203 B13R1.351 O=C(O)C(F)CNC1CCCCO1 b7ff146d5fb491fe494e78e3c42fe407 [0,1,0,1,0,0|2,0,0]=4 23204 B13R1.351 O=C(O)C(F)CNC1CCOCC1 67cab68b14ad4adb8e2a86fa4057b692 [0,1,0,1,0,0|2,0,0]=4 23205 B13R1.351 O=C(O)C(F)NCC1CCCCC1 c9af3a5cb612343d4a6a315622e08f36 [0,1,0,1,0,0|1,0,0]=3 23206 B13R1.351 O=C(O)C(F)NCC1CCCCO1 9dbf36fdf9ce2add28f20634d53eeefa [0,1,0,1,0,0|2,0,0]=4 23207 B13R1.351 O=C(O)C(F)NCC1CCCOC1 413dfee0d2cd24156c20bb1333f3bcd5 [0,1,0,1,0,0|2,0,0]=4 23208 B13R1.351 O=C(O)C(F)NCC1CCOCC1 5592e67cd1c232834fe46fb6e6c3286a [0,1,0,1,0,0|2,0,0]=4 23209 B13R1.351 O=C(O)C(F)NC[C@@H]1CCCOC1 3b5a77266ef456fae9cf34e255f6c6fc [0,1,0,1,0,0|2,0,0]=4 23210 B13R1.351 O=C(O)C(F)NC[C@H]1CCCOC1 74c89684a049ccc5ba6b78e5c3b6a725 [0,1,0,1,0,0|2,0,0]=4 23211 B13R1.351 O=C(O)C(O)CNC1CCCCC1 867f50778da7887b94d0e25a4d87252f [0,1,0,1,0,0|1,0,0]=3 23212 B13R1.351 O=C(O)C(O)CNC1CCCCO1 559d7f0c8d970635685c6e088fb81bfd [0,1,0,1,0,0|2,0,0]=4 23213 B13R1.351 O=C(O)C(O)CNC1CCOCC1 2bd08bbd825821e28ff82b80a4006237 [0,1,0,1,0,0|2,0,0]=4 23214 B13R1.351 O=C(O)C(O)CNC1CCSCC1 c494b2aa26bb45137da6962f9b2c09e8 [0,1,0,1,0,0|2,0,0]=4 23215 B13R1.351 O=C(O)C(O)NCC1CCCCC1 f656bd395e8ceb9609a9f59e62b769f5 [0,1,0,1,0,0|1,0,0]=3 23216 B13R1.351 O=C(O)C(O)NCC1CCCCO1 eb860e7adf74f262ae10baf9515ca77e [0,1,0,1,0,0|2,0,0]=4 23217 B13R1.351 O=C(O)C(O)NCC1CCCOC1 06b8009274f42ee8257e267f56b411d9 [0,1,0,1,0,0|2,0,0]=4 23218 B13R1.351 O=C(O)C(O)NCC1CCOCC1 2f71627736bcd07160f5647ef557b9ca [0,1,0,1,0,0|2,0,0]=4 23219 B13R1.351 O=C(O)C(O)NCC1CCSCC1 42e4b78b11dbc2ef87dbe473fe152e7f [0,1,0,1,0,0|2,0,0]=4 23220 B13R1.351 O=C(O)[C@@H](O)CNC1CCCCC1 7981d2cf02b3bb75777e15a6ce8dcca7 [0,1,0,1,0,0|1,0,0]=3 23221 B13R1.351 O=C(O)[C@@H](O)CNC1CCCCO1 e0e0482fa9c1ee2d2428bfc36912d186 [0,1,0,1,0,0|2,0,0]=4 23222 B13R1.351 O=C(O)[C@@H](O)CNC1CCOCC1 69692bc428d2c53882c04f5f8098076d [0,1,0,1,0,0|2,0,0]=4 23223 B13R1.351 O=C(O)[C@@H](O)CNC1CCSCC1 5dded7e8d6ff71e8e941fe68abb2ec1b [0,1,0,1,0,0|2,0,0]=4 23224 B13R1.351 O=C(O)[C@H](F)NCC1CCCCC1 3507b2ddac00d4edd9cbfb0ace59c211 [0,1,0,1,0,0|1,0,0]=3 23225 B13R1.351 O=C(O)[C@H](F)NCC1CCCCO1 1cca96d5076dc029ae36a66290963ad5 [0,1,0,1,0,0|2,0,0]=4 23226 B13R1.351 O=C(O)[C@H](F)NCC1CCCOC1 a5f82a70aa222816099ef58bc19cc9c9 [0,1,0,1,0,0|2,0,0]=4 23227 B13R1.351 O=C(O)[C@H](F)NCC1CCOCC1 84e50c331efcd7f3c4e8ee57f8bebdda [0,1,0,1,0,0|2,0,0]=4 23228 B13R1.351 O=C(O)[C@H](F)NC[C@@H]1CCCOC1 9cf56b54cd8f30985b20b2656a931278 [0,1,0,1,0,0|2,0,0]=4 23229 B13R1.351 O=C(O)[C@H](F)NC[C@H]1CCCOC1 5dde65d77374c57ae98bdc8934a7f0e7 [0,1,0,1,0,0|2,0,0]=4 23230 B13R1.351 O=C(O)[C@H](O)CNC1CCCCC1 74c5f9772b72a9f1594954ea8461e20f [0,1,0,1,0,0|1,0,0]=3 23231 B13R1.351 O=C(O)[C@H](O)CNC1CCCCO1 e6a7ac2bfca86dd4423dab38358158df [0,1,0,1,0,0|2,0,0]=4 23232 B13R1.351 O=C(O)[C@H](O)CNC1CCOCC1 485150c744c18c677567d958d0b2600c [0,1,0,1,0,0|2,0,0]=4 23233 B13R1.351 O=C(O)[C@H](O)CNC1CCSCC1 a488f3512c7e290e2e4bdc452b145996 [0,1,0,1,0,0|2,0,0]=4 23234 B13R1.391 O=C(O)C(F)N1CCCC1CCO bc63aaf208b2bb982fcee3c45dbb5975 [0,1,0,1,0,0|2,0,0]=4 23235 B13R1.391 O=C(O)C(F)N1CCC[C@@H]1CCO bdf21d261a44cb908d719710a953a5fb [0,1,0,1,0,0|2,0,0]=4 23236 B13R1.618 CC(CNCC1CC1CO)C(=O)O 2cd36ae5990b2ca4c466d3440da7d54c [0,1,0,1,0,0|2,0,0]=4 23237 B13R1.618 O=C(O)C(O)CNCC1CC1CO f34021b7c550edbe4281722ab3111e53 [0,1,0,1,0,0|2,0,0]=4 23238 B13R1.618 O=C(O)[C@@H](O)CNCC1CC1CO 236edefc9261035c9bee5d8a12d84d0c [0,1,0,1,0,0|2,0,0]=4 23239 B13R1.650 CCC1CCN1CCC(C)C(=O)C b47f7881e0e65905a05d62e64b3786bb [0,1,0,1,0,0|2,0,0]=4 23240 B13R1.650 COC1CCC1COC(C)C(=O)O 6ab3d78fe31c385f50be24b98a5f019a [0,1,0,1,0,0|2,0,0]=4 23241 B13R1.650 COC1CCC1COC(F)C(=O)O eec66fdf2b4ea6374910b050f11414cd [0,1,0,1,0,0|2,0,0]=4 23242 B13R1.650 COC1CCC1CO[C@@H](C)C(=O)O c26b9c8fb78b2c2a20ffd5b5fbd37261 [0,1,0,1,0,0|2,0,0]=4 23243 B13R1.650 COC1CCC1CO[C@@H](F)C(=O)O 27766afeabbe6fde44e18f1aec73e6f7 [0,1,0,1,0,0|2,0,0]=4 23244 B13R1.650 COC1CCC1CO[C@H](C)C(=O)O 759f8fa0a6547db3354c3850b17b9384 [0,1,0,1,0,0|2,0,0]=4 23245 B13R1.650 COC1CCC1NCC(C)C(=O)O 7a85d412c0aa538f13776137e61785d6 [0,1,0,1,0,0|2,0,0]=4 23246 B13R1.650 COC1CCC1NCC(O)C(=O)O b301a5ff40a9ab466c561779098ec360 [0,1,0,1,0,0|2,0,0]=4 23247 B13R1.650 COC1CCC1NC[C@H](O)C(=O)O cd3a40b0b5eaef8e4fbb1e483d5a0eee [0,1,0,1,0,0|2,0,0]=4 23248 B13R1.650 CO[C@@H]1CC[C@@H]1COC(C)C(=O)O 07d51d9330545022ac05584ccd44ffd5 [0,1,0,1,0,0|2,0,0]=4 23249 B13R1.650 CO[C@@H]1CC[C@@H]1COC(F)C(=O)O eaf1a4a5f983202c3a64228e3f64b5ae [0,1,0,1,0,0|2,0,0]=4 23250 B13R1.650 CO[C@@H]1CC[C@@H]1CO[C@@H](C)C(=O)O 3f80e5525167b6d20b89ccd2a263ca0a [0,1,0,1,0,0|2,0,0]=4 23251 B13R1.650 CO[C@@H]1CC[C@@H]1CO[C@@H](F)C(=O)O ae90c3f0e8cdcae5b8a0628a8051768f [0,1,0,1,0,0|2,0,0]=4 23252 B13R1.650 CO[C@@H]1CC[C@@H]1CO[C@H](C)C(=O)O 4c5a14bd5b8cd420b8a87899ccfba933 [0,1,0,1,0,0|2,0,0]=4 23253 B13R1.650 CO[C@@H]1CC[C@@H]1NCC(C)C(=O)O fadbc21d719dc435fe897f75a885c586 [0,1,0,1,0,0|2,0,0]=4 23254 B13R1.650 CO[C@@H]1CC[C@@H]1NCC(O)C(=O)O f18071fb24f38e50f5ff3eb068ca0d59 [0,1,0,1,0,0|2,0,0]=4 23255 B13R1.650 CO[C@@H]1CC[C@@H]1NC[C@H](O)C(=O)O 732369d684449db062b9dc3a1bc4737c [0,1,0,1,0,0|2,0,0]=4 23256 B13R1.650 CO[C@@H]1CC[C@H]1COC(C)C(=O)O a2101f218502b3c0f4b730f54fd8dd5a [0,1,0,1,0,0|2,0,0]=4 23257 B13R1.650 CO[C@@H]1CC[C@H]1COC(F)C(=O)O 7b0f5cd26296b753527970e4e7595995 [0,1,0,1,0,0|2,0,0]=4 23258 B13R1.650 CO[C@@H]1CC[C@H]1CO[C@@H](C)C(=O)O c35bc25087ae9c5af7e839649a9824f1 [0,1,0,1,0,0|2,0,0]=4 23259 B13R1.650 CO[C@@H]1CC[C@H]1CO[C@@H](F)C(=O)O 55282f5e3c20dec8248c601871e5c31b [0,1,0,1,0,0|2,0,0]=4 23260 B13R1.650 CO[C@@H]1CC[C@H]1CO[C@H](C)C(=O)O 612b0fc66bda4488f968de457dd079ed [0,1,0,1,0,0|2,0,0]=4 23261 B13R1.650 CO[C@@H]1CC[C@H]1NCC(C)C(=O)O 2d111ec01d223c088bcf5e5ed74482e3 [0,1,0,1,0,0|2,0,0]=4 23262 B13R1.650 CO[C@@H]1CC[C@H]1NCC(O)C(=O)O fd9e0d0ab180a586f317253542d94679 [0,1,0,1,0,0|2,0,0]=4 23263 B13R1.650 CO[C@@H]1CC[C@H]1NC[C@H](O)C(=O)O 9df5da7dd42312c159ce534f4775e934 [0,1,0,1,0,0|2,0,0]=4 23264 B13R1.650 CO[C@H]1CC[C@@H]1NCC(C)C(=O)O 9515d6b64e350d64faeb0ed2888dd5f1 [0,1,0,1,0,0|2,0,0]=4 23265 B13R1.650 CO[C@H]1CC[C@@H]1NCC(O)C(=O)O 7711fd1f972dae5ba2eb0215989bbde6 [0,1,0,1,0,0|2,0,0]=4 23266 B13R1.650 CO[C@H]1CC[C@@H]1NC[C@H](O)C(=O)O e4aed0946e7637e33dd923a8c418148f [0,1,0,1,0,0|2,0,0]=4 23267 B13R1.650 CO[C@H]1CC[C@H]1NCC(C)C(=O)O 4e82d4b47e1c3b1a195f3f315c82ced5 [0,1,0,1,0,0|2,0,0]=4 23268 B13R1.650 CO[C@H]1CC[C@H]1NCC(O)C(=O)O 5ce301eaec0906cf33318f4f962d69b5 [0,1,0,1,0,0|2,0,0]=4 23269 B13R1.650 CO[C@H]1CC[C@H]1NC[C@H](O)C(=O)O 3a1522f4ca95ae1e25fb9b8256ad089a [0,1,0,1,0,0|2,0,0]=4 23270 B13R1.1110 C=C(CNCC1CCCC1)C(=O)O f8d748d1c3f46a5634ab62247a13a794 [0,1,0,1,0,0|1,0,1]=4 23271 B13R1.1110 C=C(COCC1CCCC1)C(=O)O cbdc25d6c7baac02c193480508cea88c [0,1,0,1,0,0|1,0,1]=4 23272 B13R1.1110 CC(=O)C(C)CCOC1CCCC1 27690cce4aa11e7282b841fc1a194751 [0,1,0,1,0,0|2,0,0]=4 23273 B13R1.1110 CC(=O)C(C)COCC1CCCC1 214be3cf4b4be5d58acf5ce28c74a120 [0,1,0,1,0,0|2,0,0]=4 23274 B13R1.1110 CC(=O)C(C)NCCC1CCCC1 435facadfdd10748cb6edec3a91d94cb [0,1,0,1,0,0|2,0,0]=4 23275 B13R1.1110 CC(=O)C(C)OCCC1CCCC1 04274fa1999cbefbd1e7264b5994bc58 [0,1,0,1,0,0|2,0,0]=4 23276 B13R1.1110 CC(CCCN1CCSC1)C(=O)O 5dc1be2bb35357f67b4d29f4d59b177d [0,1,0,1,0,0|2,0,0]=4 23277 B13R1.1110 CC(CNCC1CCCC1)C(=O)O d0d774c4fbf4a722957f263d80ed67c2 [0,1,0,1,0,0|1,0,0]=3 23278 B13R1.1110 CC(CNCC1CCCO1)C(=O)O 341427980b2d598a78068f8e025969bb [0,1,0,1,0,0|2,0,0]=4 23279 B13R1.1110 CC(CNCC1CCOC1)C(=O)O 1e659238c23efb5b5acd7d42b0d816c3 [0,1,0,1,0,0|2,0,0]=4 23280 B13R1.1110 CC(CNC[C@@H]1CCCO1)C(=O)O 504f692b7d8c554bada50ca410174de3 [0,1,0,1,0,0|2,0,0]=4 23281 B13R1.1110 CC(CNC[C@@H]1CCOC1)C(=O)O c7237d588676ab9cf952d0f7431e9127 [0,1,0,1,0,0|2,0,0]=4 23282 B13R1.1110 CC(CNC[C@H]1CCCO1)C(=O)O eaf1c29c0c4d6f5793ff2b1d70b5a8b4 [0,1,0,1,0,0|2,0,0]=4 23283 B13R1.1110 CC(CNC[C@H]1CCOC1)C(=O)O b4d26466052dd538c7048fbc2e0da367 [0,1,0,1,0,0|2,0,0]=4 23284 B13R1.1110 CC(COCC1CCCC1)C(=O)O 5e93843090df78bb0a96a37eca517f74 [0,1,0,1,0,0|1,0,0]=3 23285 B13R1.1110 CC(COCC1CCCO1)C(=O)O 0a5b6ffe54d1909130e91b6ca8f1a63a [0,1,0,1,0,0|2,0,0]=4 23286 B13R1.1110 CC(COCC1CCCS1)C(=O)O b7b76ec96335d3e02134f1cb20fa26ab [0,1,0,1,0,0|2,0,0]=4 23287 B13R1.1110 CC(COCC1CCOC1)C(=O)O 3e729e3fd7e8268f20be951e237378bf [0,1,0,1,0,0|2,0,0]=4 23288 B13R1.1110 CC(COCN1CCCC1)C(=O)O 0da2e0336cf05627697df7b1f4c49210 [0,1,0,1,0,0|2,0,0]=4 23289 B13R1.1110 CC(COC[C@@H]1CCCO1)C(=O)O 6def1d91a47a175569d7a6f80c3c5d62 [0,1,0,1,0,0|2,0,0]=4 23290 B13R1.1110 CC(COC[C@@H]1CCOC1)C(=O)O c48366c809a792d06e7a1a7aec197eee [0,1,0,1,0,0|2,0,0]=4 23291 B13R1.1110 CC(COC[C@H]1CCCO1)C(=O)O e3529e6782359b1db351ca8f4e46b424 [0,1,0,1,0,0|2,0,0]=4 23292 B13R1.1110 CC(COC[C@H]1CCOC1)C(=O)O 4d7dda9020278e9da634a3b08491a298 [0,1,0,1,0,0|2,0,0]=4 23293 B13R1.1110 CC(NCCC1CCCC1)C(=O)N 6f3e33966c17b39882271c8ee4bb671f [0,1,0,1,0,0|2,0,0]=4 23294 B13R1.1110 CC(NCCC1CCCC1)C(=O)O 23ffbbf5c5f6ab6fd4604abb8a7392e5 [0,1,0,1,0,0|1,0,0]=3 23295 B13R1.1110 CC(NCCC1CCCO1)C(=O)O df76faafcdee57ac14f5d1e1d3534fed [0,1,0,1,0,0|2,0,0]=4 23296 B13R1.1110 CC(NCCC1CCOC1)C(=O)O a027b10fa7c4f7d6e846cac72de6a2ae [0,1,0,1,0,0|2,0,0]=4 23297 B13R1.1110 CC(NCCN1CCCC1)C(=O)O 717814f32f5f4140c29b0faa37d53064 [0,1,0,1,0,0|2,0,0]=4 23298 B13R1.1110 CC(OCCC1CCCC1)C(=O)N 044867112aa16b2082bcc6fc765253d5 [0,1,0,1,0,0|2,0,0]=4 23299 B13R1.1110 CC(OCCC1CCCC1)C(=O)O 99101d53110691eb353c509dd7ae0b00 [0,1,0,1,0,0|1,0,0]=3 23300 B13R1.1110 CC(OCCC1CCCO1)C(=O)O 7a7fb29edfb4a2179c4a038c2b004746 [0,1,0,1,0,0|2,0,0]=4 23301 B13R1.1110 CC(OCCC1CCOC1)C(=O)O dabcda217f3232078024ff67c1f4eafc [0,1,0,1,0,0|2,0,0]=4 23302 B13R1.1110 CC(OCCN1CCCC1)C(=O)O 354789c1b2cba6eb7d1abc47f87978e8 [0,1,0,1,0,0|2,0,0]=4 23303 B13R1.1110 C[C@@H](CNCC1CCCC1)C(=O)O 1eefd4fc73606d8e5f09e0d1e757dff1 [0,1,0,1,0,0|1,0,0]=3 23304 B13R1.1110 C[C@@H](CNCC1CCCO1)C(=O)O 9e5d9b12573c0b2a59c867ba7b79d4e2 [0,1,0,1,0,0|2,0,0]=4 23305 B13R1.1110 C[C@@H](CNCC1CCOC1)C(=O)O bf0e48d90d25b723f33ce468478931dc [0,1,0,1,0,0|2,0,0]=4 23306 B13R1.1110 C[C@@H](COCC1CCCC1)C(=O)O 7f6972972b8c6029807b1f32e8b1b669 [0,1,0,1,0,0|1,0,0]=3 23307 B13R1.1110 C[C@@H](COCC1CCCO1)C(=O)O 70ccb1b0e4fbadd0f812c7b8a20e1ce7 [0,1,0,1,0,0|2,0,0]=4 23308 B13R1.1110 C[C@@H](COCC1CCOC1)C(=O)O df0fc3375416660040c6cbe6dc610e25 [0,1,0,1,0,0|2,0,0]=4 23309 B13R1.1110 C[C@@H](NCCC1CCCC1)C(=O)N ad89110193cefc9dfcb430958d4aa08f [0,1,0,1,0,0|2,0,0]=4 23310 B13R1.1110 C[C@@H](NCCC1CCCC1)C(=O)O c2d76370136e1dfbae4976e973973880 [0,1,0,1,0,0|1,0,0]=3 23311 B13R1.1110 C[C@@H](NCCC1CCCO1)C(=O)O 3b8d5791443da0b68fe3efb663301b64 [0,1,0,1,0,0|2,0,0]=4 23312 B13R1.1110 C[C@@H](NCCC1CCOC1)C(=O)O 375347aeef6500f1376ae106456dff66 [0,1,0,1,0,0|2,0,0]=4 23313 B13R1.1110 C[C@@H](NCCN1CCCC1)C(=O)O bbd3ab58ec30d4457e0d34879cd01085 [0,1,0,1,0,0|2,0,0]=4 23314 B13R1.1110 C[C@@H](OCCC1CCCC1)C(=O)N 4d3edbf497ff1645dcd9b95c96ebf4ab [0,1,0,1,0,0|2,0,0]=4 23315 B13R1.1110 C[C@@H](OCCC1CCCC1)C(=O)O 4d45ec6b3d8816a900fc8ed0edf005c5 [0,1,0,1,0,0|1,0,0]=3 23316 B13R1.1110 C[C@@H](OCCC1CCCO1)C(=O)O c3ebd382779e44dade88439709b65a9f [0,1,0,1,0,0|2,0,0]=4 23317 B13R1.1110 C[C@@H](OCCC1CCOC1)C(=O)O 3a1691d7a4002d3f6b490639cf0eaf82 [0,1,0,1,0,0|2,0,0]=4 23318 B13R1.1110 C[C@@H](OCCN1CCCC1)C(=O)O 091ae016d27810b331d83e4ed1be939d [0,1,0,1,0,0|2,0,0]=4 23319 B13R1.1110 C[C@H](CNCC1CCCC1)C(=O)O 3f8e32132d45c8ddb4e91cab2e9b7d77 [0,1,0,1,0,0|1,0,0]=3 23320 B13R1.1110 C[C@H](CNCC1CCCO1)C(=O)O 74edef1a850c846acf9baa5c8a3e98d8 [0,1,0,1,0,0|2,0,0]=4 23321 B13R1.1110 C[C@H](CNCC1CCOC1)C(=O)O e98f5aadba5aceb3380c143d6a03f640 [0,1,0,1,0,0|2,0,0]=4 23322 B13R1.1110 C[C@H](COCC1CCCC1)C(=O)O 9036734349c44d3be9c26814df0c71aa [0,1,0,1,0,0|1,0,0]=3 23323 B13R1.1110 C[C@H](COCC1CCCO1)C(=O)O 3fbdb407297f93f04fc85278dd6bd3cd [0,1,0,1,0,0|2,0,0]=4 23324 B13R1.1110 C[C@H](COCC1CCOC1)C(=O)O 9e7c67a553d2689767dc3c15dda18d3f [0,1,0,1,0,0|2,0,0]=4 23325 B13R1.1110 C[C@H](NCCC1CCCC1)C(=O)N 4739a7761ad6b4182c7916548bd273f8 [0,1,0,1,0,0|2,0,0]=4 23326 B13R1.1110 C[C@H](NCCC1CCCC1)C(=O)O 32d3542f73ef32960106a8248b666db6 [0,1,0,1,0,0|1,0,0]=3 23327 B13R1.1110 C[C@H](NCCC1CCCO1)C(=O)O 9a6f3835293b138da33a0f8b5aa435a7 [0,1,0,1,0,0|2,0,0]=4 23328 B13R1.1110 C[C@H](NCCC1CCOC1)C(=O)O 323511391c74359aed7cf138a9b0560d [0,1,0,1,0,0|2,0,0]=4 23329 B13R1.1110 C[C@H](NCCN1CCCC1)C(=O)O 9d77967ca800e7e8f803e2c7ee34a1c9 [0,1,0,1,0,0|2,0,0]=4 23330 B13R1.1110 C[C@H](OCCC1CCCC1)C(=O)N f0dafda5292bff812b5531fc43483c08 [0,1,0,1,0,0|2,0,0]=4 23331 B13R1.1110 C[C@H](OCCC1CCCC1)C(=O)O e406978f4232535f241c3c018c87a382 [0,1,0,1,0,0|1,0,0]=3 23332 B13R1.1110 C[C@H](OCCC1CCCO1)C(=O)O 0c813a0f63b699887eac0f44f4f4bcc3 [0,1,0,1,0,0|2,0,0]=4 23333 B13R1.1110 C[C@H](OCCC1CCOC1)C(=O)O b479c7f14af0a420f5f90e686fb438f5 [0,1,0,1,0,0|2,0,0]=4 23334 B13R1.1110 C[C@H](OCCN1CCCC1)C(=O)O 3fe4a2494e2e00c55d4f1fe84c086477 [0,1,0,1,0,0|2,0,0]=4 23335 B13R1.1110 NC(=O)C(F)NCCC1CCCC1 81e18db7f5439e076d3a7d6bab3de198 [0,1,0,1,0,0|2,0,0]=4 23336 B13R1.1110 NC(=O)C(F)OCCC1CCCC1 788f513fc20a6fe7491327997f08b5c1 [0,1,0,1,0,0|2,0,0]=4 23337 B13R1.1110 O=C(O)C(=O)CNCC1CCCC1 7bafc59ac75ee5790a942d6eaf47b4cd [0,1,0,1,0,0|1,0,1]=4 23338 B13R1.1110 O=C(O)C(=O)COCC1CCCC1 6cdedf409d77ca86dd3a97d5777d06ab [0,1,0,1,0,0|1,0,1]=4 23339 B13R1.1110 O=C(O)C(F)CCNC1CCCC1 68fccfcc9841094dc236574373d2881c [0,1,0,1,0,0|1,0,0]=3 23340 B13R1.1110 O=C(O)C(F)CCNC1CCOC1 7ca64c8dc752aa81b54368d94a9b3ca4 [0,1,0,1,0,0|2,0,0]=4 23341 B13R1.1110 O=C(O)C(F)CCN[C@@H]1CCOC1 a25d88647a5940673bb29c1f41bc7f32 [0,1,0,1,0,0|2,0,0]=4 23342 B13R1.1110 O=C(O)C(F)CCN[C@H]1CCOC1 332adca87c5ecba752c36e25b43e4394 [0,1,0,1,0,0|2,0,0]=4 23343 B13R1.1110 O=C(O)C(F)CNCC1CCCC1 d2d5fd59da8136210568777ac5572d28 [0,1,0,1,0,0|1,0,0]=3 23344 B13R1.1110 O=C(O)C(F)CNCC1CCCO1 758176f2667ed8fd98f5876c84ce5226 [0,1,0,1,0,0|2,0,0]=4 23345 B13R1.1110 O=C(O)C(F)CNCC1CCOC1 ac04047868b9670312f30e0286852676 [0,1,0,1,0,0|2,0,0]=4 23346 B13R1.1110 O=C(O)C(F)NCCC1CCCO1 18b56926ec5e6976f1cd8c4cbe6b4664 [0,1,0,1,0,0|2,0,0]=4 23347 B13R1.1110 O=C(O)C(F)OCCC1CCCO1 6f4b090176ddf62a177777c8794036fa [0,1,0,1,0,0|2,0,0]=4 23348 B13R1.1110 O=C(O)C(O)CCNC1CCCC1 3cf634837b4cefe510be7cf74da401a7 [0,1,0,1,0,0|1,0,0]=3 23349 B13R1.1110 O=C(O)C(O)CNCC1CCCC1 924920c11dbc3760fa9915e35330dbcc [0,1,0,1,0,0|1,0,0]=3 23350 B13R1.1110 O=C(O)C(O)CNCC1CCCO1 33c54242eff22ea8ce51069692e85bbe [0,1,0,1,0,0|2,0,0]=4 23351 B13R1.1110 O=C(O)C(O)CNCC1CCOC1 09a9da51525e943c644c18131dc29c5e [0,1,0,1,0,0|2,0,0]=4 23352 B13R1.1110 O=C(O)C(O)CNC[C@@H]1CCCO1 78274bbc648aa6bbae2d79d7870daf20 [0,1,0,1,0,0|2,0,0]=4 23353 B13R1.1110 O=C(O)C(O)CNC[C@@H]1CCOC1 7b4807e9bc82fae0913379c042dbbd05 [0,1,0,1,0,0|2,0,0]=4 23354 B13R1.1110 O=C(O)C(O)CNC[C@H]1CCCO1 b9687a1d17bb5410281956cd0188de2e [0,1,0,1,0,0|2,0,0]=4 23355 B13R1.1110 O=C(O)C(O)CNC[C@H]1CCOC1 6eeffe7699fa5008144c957fcc85a94e [0,1,0,1,0,0|2,0,0]=4 23356 B13R1.1110 O=C(O)C(O)NCCC1CCCC1 37c8cbc0040e7e5d8244c469aff3f168 [0,1,0,1,0,0|1,0,0]=3 23357 B13R1.1110 O=C(O)C(O)NCCC1CCCO1 9070d3f6cdb246a8f664a6ec4048709b [0,1,0,1,0,0|2,0,0]=4 23358 B13R1.1110 O=C(O)C(O)NCCC1CCOC1 c0de7a2d7cf3a90e3c7d80316bcaae7e [0,1,0,1,0,0|2,0,0]=4 23359 B13R1.1110 O=C(O)C(O)NCCN1CCCC1 1c15f78a9f9b777452a2af519c2eb51f [0,1,0,1,0,0|2,0,0]=4 23360 B13R1.1110 O=C(O)[C@@H](O)CCNC1CCCC1 5f9fa290663933f9f1686ed2fbe48d03 [0,1,0,1,0,0|1,0,0]=3 23361 B13R1.1110 O=C(O)[C@@H](O)CNCC1CCCC1 8c20afa3d16cd5ba59092d2f40c5ee84 [0,1,0,1,0,0|1,0,0]=3 23362 B13R1.1110 O=C(O)[C@@H](O)CNCC1CCCO1 e6041425f3acc54e4a31760fc9e7b0de [0,1,0,1,0,0|2,0,0]=4 23363 B13R1.1110 O=C(O)[C@@H](O)CNCC1CCOC1 55e96c1a3503966fef06014fa3276834 [0,1,0,1,0,0|2,0,0]=4 23364 B13R1.1110 O=C(O)[C@@H](O)CNC[C@@H]1CCCO1 e310c3f2816c77b782339b30f86af58e [0,1,0,1,0,0|2,0,0]=4 23365 B13R1.1110 O=C(O)[C@@H](O)CNC[C@@H]1CCOC1 c1aa1c076aa72e6f0d393398ff48c772 [0,1,0,1,0,0|2,0,0]=4 23366 B13R1.1110 O=C(O)[C@@H](O)CNC[C@H]1CCCO1 9dd3d9fb8d588229bcc5515ab4057bcf [0,1,0,1,0,0|2,0,0]=4 23367 B13R1.1110 O=C(O)[C@@H](O)CNC[C@H]1CCOC1 ea99429904b99db1cdd0dbd1e48210e0 [0,1,0,1,0,0|2,0,0]=4 23368 B13R1.1110 O=C(O)[C@H](F)NCCC1CCCO1 1052e318417508052cf8689d41d1223f [0,1,0,1,0,0|2,0,0]=4 23369 B13R1.1110 O=C(O)[C@H](F)OCCC1CCCO1 a99e9be2b3071744a44cf1f41b094bd1 [0,1,0,1,0,0|2,0,0]=4 23370 B13R1.1110 O=C(O)[C@H](O)CNCC1CCCC1 ea521e26e2894c3518b18e6cc617fdc0 [0,1,0,1,0,0|1,0,0]=3 23371 B13R1.1110 O=C(O)[C@H](O)CNCC1CCCO1 bc165f4dba2a9859f72bdfba9bb61e7c [0,1,0,1,0,0|2,0,0]=4 23372 B13R1.1110 O=C(O)[C@H](O)CNCC1CCOC1 c31dad8309a5ff71537dabf090dea84e [0,1,0,1,0,0|2,0,0]=4 23373 B13R1.1220 CCCN1CCCCC(C1)C(=O)O af2d2883fbda5f8a953c4285099dfb08 [0,1,0,1,0,0|1,0,0]=3 23374 B13R1.1220 CCNC1CCCCC(C1)C(=O)O 5088379115e3ea7afbdce62488a7b8e7 [0,1,0,1,0,0|1,0,0]=3 23375 B13R1.1220 CCOC1CCCCC(C1)C(=O)O cbfb5eae7ac5f71a5e80a32e8b5cbbc0 [0,1,0,1,0,0|1,0,0]=3 23376 B13R1.1220 COCN1CCCCC(C1)C(=O)O 164b567bf41e1404cfab0233c4f0c220 [0,1,0,1,0,0|2,0,0]=4 23377 B13R1.1220 CSCN1CCCCC(C1)C(=O)O 9a78001a7fce1a8dc4881c8134ebf030 [0,1,0,1,0,0|2,0,0]=4 23378 B13R1.1220 O=C(O)C1CCCCC(C1)NCF e597c7c2d8e4ed17015862a7e34cbc43 [0,1,0,1,0,0|2,0,0]=4 23379 B13R1.1220 O=C(O)C1CCCCC(C1)NCO cb14ff0a262d2a640d881a26c9773d58 [0,1,0,1,0,0|2,0,0]=4 23380 B13R1.1220 O=C(O)C1CCCCC(C1)OCF b8af7b96a82c671459b724f7ba101e21 [0,1,0,1,0,0|2,0,0]=4 23381 B13R1.1220 O=C(O)C1CCCCN(C1)CCF de9a4965387259b8fc82b5c7be89193f [0,1,0,1,0,0|2,0,0]=4 23382 B13R1.1220 O=C(O)C1CCCCN(C1)CCO d062fc58330a0affdfed4a6c3e977de4 [0,1,0,1,0,0|2,0,0]=4 23383 B13R1.1220 O=C(O)C1CCCCN(C1)CCS 315bc9b84fa11e3b60925a52da9f47a1 [0,1,0,1,0,0|2,0,0]=4 23384 B13R1.1232 CC1(CC1NCCCCO)C(=O)O 0270bbaff6bac3c1fbe38509fb89a6da [0,1,0,1,0,0|2,0,0]=4 23385 B13R1.1232 CC1(CC1NCCCCS)C(=O)O f26e8f254b6468f5d8051861cd5235a5 [0,1,0,1,0,0|2,0,0]=4 23386 B13R1.1232 CC1(CC1OCCCCF)C(=O)O 617be12303ff77bfeea50ba1d194e962 [0,1,0,1,0,0|2,0,0]=4 23387 B13R1.1232 CC1(CC1OCCCCS)C(=O)O afffb5a3208a4a5423da081d44c1e77d [0,1,0,1,0,0|2,0,0]=4 23388 B13R1.1232 CCCCCNC1CC1(C)C(=O)O a4bf6738f63162fd49bfde55c64c660f [0,1,0,1,0,0|1,0,0]=3 23389 B13R1.1232 CCCCCOC1CC1(C)C(=O)O bfd33138a660fbd0ef771dd3c62ca610 [0,1,0,1,0,0|1,0,0]=3 23390 B13R1.1232 CCOCCOC1CC1(C)C(=O)O 6540e77c4e2910b7f0cc52115a70b2b0 [0,1,0,1,0,0|2,0,0]=4 23391 B13R1.1232 CCSCCNC1CC1(C)C(=O)O ae567526afd88bf91d6481fc9d504516 [0,1,0,1,0,0|2,0,0]=4 23392 B13R1.1232 CCSCCOC1CC1(C)C(=O)O 92b176815d735e45d2d5f19b6797a124 [0,1,0,1,0,0|2,0,0]=4 23393 B13R1.1232 COCCCNC1CC1(C)C(=O)O 5c69a700a6ce68b813696003c394ad92 [0,1,0,1,0,0|2,0,0]=4 23394 B13R1.1232 COCCCOC1CC1(C)C(=O)O 8b8b1202ee54570fef4ee5b711183ac8 [0,1,0,1,0,0|2,0,0]=4 23395 B13R1.1232 CSCCCNC1CC1(C)C(=O)O 42f13feef7f0e446b1c456467dac4ae9 [0,1,0,1,0,0|2,0,0]=4 23396 B13R1.1232 CSCCCOC1CC1(C)C(=O)O 39af9b9f247c96783423a00cdfb75a53 [0,1,0,1,0,0|2,0,0]=4 23397 B13R1.1267 CC1(CCCCN1CCF)C(=O)O b27d4f8e1c52481b2c4c1949e9227d13 [0,1,0,1,0,0|2,0,0]=4 23398 B13R1.1267 CC1(CCCCN1CCO)C(=O)O 49cddd9d0d2a4ce95d3374c1881f51ad [0,1,0,1,0,0|2,0,0]=4 23399 B13R1.1267 CC1(CCCCN1CCS)C(=O)O f55ccb933ac552e33f2e13b728c32bf3 [0,1,0,1,0,0|2,0,0]=4 23400 B13R1.1267 CCCN1CCCCC1(C)C(=O)O 44d8071a345570e5cd3d2a615fb99045 [0,1,0,1,0,0|1,0,0]=3 23401 B13R1.1267 CCCN1CCCC[C@@]1(C)C(=O)O 141c9c6a8d6360405e9d10467a25452f [0,1,0,1,0,0|1,0,0]=3 23402 B13R1.1267 CCCN1CCCC[C@]1(C)C(=O)O 17bd702edb3f15ca4d3b06f9c40c16ea [0,1,0,1,0,0|1,0,0]=3 23403 B13R1.1267 COCN1CCCCC1(C)C(=O)O 762dbd2f260df13e5b02cf42ececca42 [0,1,0,1,0,0|2,0,0]=4 23404 B13R1.1267 COCN1CCCC[C@@]1(C)C(=O)O cca93ae7cf1c2ea0e0780123896bb34b [0,1,0,1,0,0|2,0,0]=4 23405 B13R1.1267 COCN1CCCC[C@]1(C)C(=O)O 271e6b5557ffcddd8501964307d81760 [0,1,0,1,0,0|2,0,0]=4 23406 B13R1.1267 CSCN1CCCCC1(C)C(=O)O 451f85b9e7860fea1aa2427cf4c438bc [0,1,0,1,0,0|2,0,0]=4 23407 B13R1.1267 CSCN1CCCC[C@@]1(C)C(=O)O de01385c80293e72b0076e597045316b [0,1,0,1,0,0|2,0,0]=4 23408 B13R1.1267 CSCN1CCCC[C@]1(C)C(=O)O 6d5b3cc22831248b6607bc40e2d1e27b [0,1,0,1,0,0|2,0,0]=4 23409 B13R1.1267 C[C@@]1(CCCCN1CCF)C(=O)O ffd2ea983d847706e8abb2a61dd941bb [0,1,0,1,0,0|2,0,0]=4 23410 B13R1.1267 C[C@@]1(CCCCN1CCO)C(=O)O 80026ef37bba04e8818a6fe317f3ef8c [0,1,0,1,0,0|2,0,0]=4 23411 B13R1.1267 C[C@@]1(CCCCN1CCS)C(=O)O 7b6765af685c6c71a6cb25f41d64bdb0 [0,1,0,1,0,0|2,0,0]=4 23412 B13R1.1267 C[C@]1(CCCCN1CCF)C(=O)O 719b2b19669049f1b53645e2cbab5cce [0,1,0,1,0,0|2,0,0]=4 23413 B13R1.1267 C[C@]1(CCCCN1CCO)C(=O)O e7010dbe43979464333f3ec1760c65a6 [0,1,0,1,0,0|2,0,0]=4 23414 B13R1.1267 C[C@]1(CCCCN1CCS)C(=O)O 5138356bf2f8d96308e7548dc108a542 [0,1,0,1,0,0|2,0,0]=4 23415 B13R1.1889 CCCCCCN1CC(C1)C(=O)N ff26ef46d797ccba607169d9bbb7f311 [0,1,0,1,0,0|2,0,0]=4 23416 B13R1.1889 CCCCCCN1CC(C1)C(=O)O 750d03587454fe12e7163d0532fb9499 [0,1,0,1,0,0|1,0,0]=3 23417 B13R1.1889 CCCCCNC1CC(C1)C(=O)N 752a570da283a1a1186ab68c179a6efd [0,1,0,1,0,0|2,0,0]=4 23418 B13R1.1889 CCCCCNC1CC(C1)C(=O)O 18bdab7e992a2aa95a92d11e0d99939a [0,1,0,1,0,0|1,0,0]=3 23419 B13R1.1889 CCCCCN[C@H]1C[C@@H](C1)C(=O)O b00b59a9a2e99644d9110dcbdd50636a [0,1,0,1,0,0|1,0,0]=3 23420 B13R1.1889 CCCCCN[C@H]1C[C@H](C1)C(=O)O a6a90ae6c50c0d14c3edf9ae48963e6f [0,1,0,1,0,0|1,0,0]=3 23421 B13R1.1889 CCCCCOC1CC(C1)C(=O)C c9051afa9d013740f86c8aee07f92789 [0,1,0,1,0,0|2,0,0]=4 23422 B13R1.1889 CCCCCOC1CC(C1)C(=O)N 91bc9592d111a903c41af11c7e606f31 [0,1,0,1,0,0|2,0,0]=4 23423 B13R1.1889 CCCCCOC1CC(C1)C(=O)O ffecc25e8f843896d4b64c4cb00b537d [0,1,0,1,0,0|1,0,0]=3 23424 B13R1.1889 CCCCCO[C@H]1C[C@@H](C1)C(=O)O a203b6faa24d4b3581befcaa4c06973e [0,1,0,1,0,0|1,0,0]=3 23425 B13R1.1889 CCCCCO[C@H]1C[C@H](C1)C(=O)O 2dc2bec74bdd0578a563f23db93977dd [0,1,0,1,0,0|1,0,0]=3 23426 B13R1.1889 CCCCNCC1CC(C1)C(=O)O c3e77f80188d98fb6f3ef44b5c0ecea9 [0,1,0,1,0,0|1,0,0]=3 23427 B13R1.1889 CCCCOCC1CC(C1)C(=O)O 91200fd479f23481ebbdb17b4f80ccd5 [0,1,0,1,0,0|1,0,0]=3 23428 B13R1.1889 CCCCOCN1CC(C1)C(=O)O 503df9a724d0676ca5c3537edfabfc05 [0,1,0,1,0,0|2,0,0]=4 23429 B13R1.1889 CCCCOC[C@H]1C[C@H](C1)C(=O)O f024f1067c0cce5e41d15bbc079545df [0,1,0,1,0,0|1,0,0]=3 23430 B13R1.1889 CCCOCCN1CC(C1)C(=O)O 1d2da431c363119adfdc456c913378b0 [0,1,0,1,0,0|2,0,0]=4 23431 B13R1.1889 CCOCCCN1CC(C1)C(=O)O 054054742c3364982ca53803aad104ce [0,1,0,1,0,0|2,0,0]=4 23432 B13R1.1889 CCOCCNC1CC(C1)C(=O)O 72a36dc360a46f222654bb9b0c84b0a3 [0,1,0,1,0,0|2,0,0]=4 23433 B13R1.1889 CCOCCN[C@H]1C[C@@H](C1)C(=O)O 6a580e14aecc4c4428a5882ec3a1c529 [0,1,0,1,0,0|2,0,0]=4 23434 B13R1.1889 CCOCCN[C@H]1C[C@H](C1)C(=O)O 2d05ce06381ee6d8c4e69b4b0b4fd8dd [0,1,0,1,0,0|2,0,0]=4 23435 B13R1.1889 CCOCCOC1CC(C1)C(=O)O b4807abdd6144491513cc7ed5d9ac867 [0,1,0,1,0,0|2,0,0]=4 23436 B13R1.1889 CCOCCO[C@H]1C[C@@H](C1)C(=O)O c51bfe155ce53c6d64811bceb308c384 [0,1,0,1,0,0|2,0,0]=4 23437 B13R1.1889 CCOCCO[C@H]1C[C@H](C1)C(=O)O bd4ad901def92c24a09fa29fe26ada87 [0,1,0,1,0,0|2,0,0]=4 23438 B13R1.1889 CCOCOCC1CC(C1)C(=O)O 3d28ed3684df6779aa900579e4cc3644 [0,1,0,1,0,0|2,0,0]=4 23439 B13R1.1889 CCOCOC[C@H]1C[C@H](C1)C(=O)O 1202635d37223ccfb6f2431e6647f060 [0,1,0,1,0,0|2,0,0]=4 23440 B13R1.1889 CCSCCCN1CC(C1)C(=O)O 1935ac7755052bfb796ade78d6124d04 [0,1,0,1,0,0|2,0,0]=4 23441 B13R1.1889 CCSCCNC1CC(C1)C(=O)O 74bfd94ed8375d118e7b43fd4d0c3ae7 [0,1,0,1,0,0|2,0,0]=4 23442 B13R1.1889 CCSCCN[C@H]1C[C@@H](C1)C(=O)O 5828366e1fea67617b8d47287efc5806 [0,1,0,1,0,0|2,0,0]=4 23443 B13R1.1889 CCSCCN[C@H]1C[C@H](C1)C(=O)O 8ef2e6d4c18eee0c6f50a554e45d12e3 [0,1,0,1,0,0|2,0,0]=4 23444 B13R1.1889 CCSCCOC1CC(C1)C(=O)O 7f65e786649340b1bc77cccdf2b8bfb2 [0,1,0,1,0,0|2,0,0]=4 23445 B13R1.1889 CCSCCO[C@H]1C[C@@H](C1)C(=O)O 959704ab0b43ea35ca5069ffa9ed2ee8 [0,1,0,1,0,0|2,0,0]=4 23446 B13R1.1889 CCSCCO[C@H]1C[C@H](C1)C(=O)O cdc93d58f918dff7a27d1d91c1742fcf [0,1,0,1,0,0|2,0,0]=4 23447 B13R1.1889 COCCCCN1CC(C1)C(=O)O 10dbf4620134745d31b761956c01a394 [0,1,0,1,0,0|2,0,0]=4 23448 B13R1.1889 COCCCNC1CC(C1)C(=O)O 238b4a61cfb0f4af2a92a200bc95116b [0,1,0,1,0,0|2,0,0]=4 23449 B13R1.1889 COCCCN[C@H]1C[C@@H](C1)C(=O)O fe0135100847bbe57550a22220e27cb8 [0,1,0,1,0,0|2,0,0]=4 23450 B13R1.1889 COCCCN[C@H]1C[C@H](C1)C(=O)O 04974ea98356bc7a6186f5c4f3d24c18 [0,1,0,1,0,0|2,0,0]=4 23451 B13R1.1889 COCCCOC1CC(C1)C(=O)O d605e2b558eec27ceca5713b74c493c0 [0,1,0,1,0,0|2,0,0]=4 23452 B13R1.1889 COCCCO[C@H]1C[C@@H](C1)C(=O)O c2915c06ba74c4a87fd8ba1709dfad44 [0,1,0,1,0,0|2,0,0]=4 23453 B13R1.1889 COCCCO[C@H]1C[C@H](C1)C(=O)O af923a6af85d569a698496728204300e [0,1,0,1,0,0|2,0,0]=4 23454 B13R1.1889 COCCNCC1CC(C1)C(=O)O 652d38c8d62bfc0083779e08addd6771 [0,1,0,1,0,0|2,0,0]=4 23455 B13R1.1889 COCCOCC1CC(C1)C(=O)O 6f607029348d1398afaff9c89362e3b9 [0,1,0,1,0,0|2,0,0]=4 23456 B13R1.1889 COCCOC[C@H]1C[C@H](C1)C(=O)O cb6da5f4a1fa9a93e2aecd1f89f18c2c [0,1,0,1,0,0|2,0,0]=4 23457 B13R1.1889 CSCCCNC1CC(C1)C(=O)O c8abfd0bdd156ea914ca73df8ffafe38 [0,1,0,1,0,0|2,0,0]=4 23458 B13R1.1889 CSCCCN[C@H]1C[C@@H](C1)C(=O)O 16ffb436a2bfd25ce0d2102e6a25728c [0,1,0,1,0,0|2,0,0]=4 23459 B13R1.1889 CSCCCN[C@H]1C[C@H](C1)C(=O)O 6e5801c101430345852fddb6daf43f25 [0,1,0,1,0,0|2,0,0]=4 23460 B13R1.1889 CSCCCOC1CC(C1)C(=O)O 55b960afd66e487f34ea50117a3e8a13 [0,1,0,1,0,0|2,0,0]=4 23461 B13R1.1889 CSCCCO[C@H]1C[C@@H](C1)C(=O)O 643167f120fb329253351cf7571a7bce [0,1,0,1,0,0|2,0,0]=4 23462 B13R1.1889 CSCCCO[C@H]1C[C@H](C1)C(=O)O 6c948f3278b96766713842c5ad806b4f [0,1,0,1,0,0|2,0,0]=4 23463 B13R1.1889 CSCCNCC1CC(C1)C(=O)O 32908640951d900d81ab82fcdb129746 [0,1,0,1,0,0|2,0,0]=4 23464 B13R1.1889 CSCCOCC1CC(C1)C(=O)O 6efbb431db9b4170df99aedeb843932d [0,1,0,1,0,0|2,0,0]=4 23465 B13R1.1889 CSCCOC[C@H]1C[C@H](C1)C(=O)O e4f0e4347db1d60ac994ebe1097abf3d [0,1,0,1,0,0|2,0,0]=4 23466 B13R1.1889 O=C(O)C1CC(C1)CNCCCCl 1b9cf24fb67deb33d915118552df46b9 [0,1,0,1,0,0|2,0,0]=4 23467 B13R1.1889 O=C(O)C1CC(C1)CNCCCO 531295aa939af09953055af13ef055a2 [0,1,0,1,0,0|2,0,0]=4 23468 B13R1.1889 O=C(O)C1CC(C1)COCCCF 9205f5245d7264aea9775db48f7dbc4a [0,1,0,1,0,0|2,0,0]=4 23469 B13R1.1889 O=C(O)C1CC(C1)COCCCS bbf4375b724e1b4847e372f8ef780249 [0,1,0,1,0,0|2,0,0]=4 23470 B13R1.1889 O=C(O)C1CC(C1)NCCCCCl 11d8a8eeeca60699cddac603b953e808 [0,1,0,1,0,0|2,0,0]=4 23471 B13R1.1889 O=C(O)C1CC(C1)NCCCCF 7e371b2662238eb85c3048ee7fbb376f [0,1,0,1,0,0|2,0,0]=4 23472 B13R1.1889 O=C(O)C1CC(C1)NCCCCO 02faf00e956431360333d74a5d8e3e45 [0,1,0,1,0,0|2,0,0]=4 23473 B13R1.1889 O=C(O)C1CC(C1)NCCCCS ee0f442f3780813d999f4ba0470f8143 [0,1,0,1,0,0|2,0,0]=4 23474 B13R1.1889 O=C(O)C1CC(C1)OCCCCF ca65ba8d979e17fcef27a9e084daefd2 [0,1,0,1,0,0|2,0,0]=4 23475 B13R1.1889 O=C(O)C1CC(C1)OCCCCS e83a1359f61ad34bf852189a783520b3 [0,1,0,1,0,0|2,0,0]=4 23476 B13R1.1889 O=C(O)C1CN(C1)CCCCCF 83a600eea66c3ecbeaf82ac32401d3b7 [0,1,0,1,0,0|2,0,0]=4 23477 B13R1.1889 O=C(O)C1CN(C1)CCCCCO 42055ab492fd3416f4821075544b625c [0,1,0,1,0,0|2,0,0]=4 23478 B13R1.1889 O=C(O)[C@H]1C[C@@H](C1)NCCCCCl 3e27ab8b2ff9a89d6e3ccf7119119579 [0,1,0,1,0,0|2,0,0]=4 23479 B13R1.1889 O=C(O)[C@H]1C[C@@H](C1)NCCCCF c3a818e89fe0181f73147913898143a5 [0,1,0,1,0,0|2,0,0]=4 23480 B13R1.1889 O=C(O)[C@H]1C[C@@H](C1)NCCCCO 8bdde35a93cf9ca14d093f3184e8aff5 [0,1,0,1,0,0|2,0,0]=4 23481 B13R1.1889 O=C(O)[C@H]1C[C@@H](C1)NCCCCS de1347228d68d7aec764315dedf1c4fc [0,1,0,1,0,0|2,0,0]=4 23482 B13R1.1889 O=C(O)[C@H]1C[C@@H](C1)OCCCCF 6be29f1054031418f0154e440b6a9329 [0,1,0,1,0,0|2,0,0]=4 23483 B13R1.1889 O=C(O)[C@H]1C[C@@H](C1)OCCCCS c1a92da8b79678fe8b75dfc5fa1c5e5b [0,1,0,1,0,0|2,0,0]=4 23484 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)COCCCF bd2e82b5a9b2dd563649bb2d8fa45c6e [0,1,0,1,0,0|2,0,0]=4 23485 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)COCCCS 999060474731343539971b2adf207ddd [0,1,0,1,0,0|2,0,0]=4 23486 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)NCCCCCl f28a70e2951eb3da7987a03dcf39f7eb [0,1,0,1,0,0|2,0,0]=4 23487 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)NCCCCF ad3962c5995daa0f6cf69699eb087a0a [0,1,0,1,0,0|2,0,0]=4 23488 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)NCCCCO cb23a11084e85eae31762eee018efc8a [0,1,0,1,0,0|2,0,0]=4 23489 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)NCCCCS e7660bd7bf88bf4a622728a83ca3c2ac [0,1,0,1,0,0|2,0,0]=4 23490 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)OCCCCF 0c93d21da4ac27cdbe252883dd01aaf5 [0,1,0,1,0,0|2,0,0]=4 23491 B13R1.1889 O=C(O)[C@H]1C[C@H](C1)OCCCCS 5a6d9f1d9ef9bb9fe69a073e4f9e47ff [0,1,0,1,0,0|2,0,0]=4 23492 B13R1.1979 CC1(CCCN1CCCF)C(=O)O 5ee2ed65ef204c67c767f4f27ae5a5ed [0,1,0,1,0,0|2,0,0]=4 23493 B13R1.1979 CC1(CCCN1CCCO)C(=O)O 3b849cec53405b6b454dc795bac7d99f [0,1,0,1,0,0|2,0,0]=4 23494 B13R1.1979 CC1(CCCN1CCCS)C(=O)O 95c52886a92be8b07683d84ba8bc1e6d [0,1,0,1,0,0|2,0,0]=4 23495 B13R1.1979 CCCCN1CCCC1(C)C(=O)O 066bfcd6bcfb891a5e23350f80bb32a8 [0,1,0,1,0,0|1,0,0]=3 23496 B13R1.1979 CCCCN1CCC[C@@]1(C)C(=O)N 03a785fdd2e3713511dab17533ff6215 [0,1,0,1,0,0|2,0,0]=4 23497 B13R1.1979 CCCCN1CCC[C@@]1(C)C(=O)O 9d1f0ca1e76e96e3ca45f3247aa5be20 [0,1,0,1,0,0|1,0,0]=3 23498 B13R1.1979 CCCCN1CCC[C@]1(C)C(=O)O 98a50c09dbfa9a5e57cb4740f94e0477 [0,1,0,1,0,0|1,0,0]=3 23499 B13R1.1979 CCCCN1CCSC1(C)C(=O)O 1c1655e6204e77eb6d62f235b873e3f0 [0,1,0,1,0,0|2,0,0]=4 23500 B13R1.1979 CCOCN1CCCC1(C)C(=O)O 91f40da8f121d541b0c0d00defa8a8a8 [0,1,0,1,0,0|2,0,0]=4 23501 B13R1.1979 CCOCN1CCC[C@@]1(C)C(=O)O 3ba5e1b43202bfc94b184f2acef7bcc7 [0,1,0,1,0,0|2,0,0]=4 23502 B13R1.1979 CCOCN1CCC[C@]1(C)C(=O)O c21504a8a04161f8ed7093097d73562b [0,1,0,1,0,0|2,0,0]=4 23503 B13R1.1979 COCCN1CCCC1(C)C(=O)O ea60cd0a5f130bcb136c7943712a7a28 [0,1,0,1,0,0|2,0,0]=4 23504 B13R1.1979 COCCN1CCC[C@@]1(C)C(=O)O 033da30880f361ebbc83544830dc1937 [0,1,0,1,0,0|2,0,0]=4 23505 B13R1.1979 COCCN1CCC[C@]1(C)C(=O)O d238b7682d0fd69b824dad1ce7ed6a7f [0,1,0,1,0,0|2,0,0]=4 23506 B13R1.1979 CSCCN1CCCC1(C)C(=O)O 69581a7e87ec377bdae20f0129d42f0a [0,1,0,1,0,0|2,0,0]=4 23507 B13R1.1979 CSCCN1CCC[C@@]1(C)C(=O)O 05626a11bee7a9d91ce6eb58c80fa5e5 [0,1,0,1,0,0|2,0,0]=4 23508 B13R1.1979 CSCCN1CCC[C@]1(C)C(=O)O 9dce1d762b88eab60bcd68b05b70be84 [0,1,0,1,0,0|2,0,0]=4 23509 B13R1.1979 C[C@@]1(CCCN1CCCF)C(=O)O ba37cac30d81df44809b5223ffc0f9a9 [0,1,0,1,0,0|2,0,0]=4 23510 B13R1.1979 C[C@@]1(CCCN1CCCO)C(=O)O 47450573c29c27579468263f96072f86 [0,1,0,1,0,0|2,0,0]=4 23511 B13R1.1979 C[C@@]1(CCCN1CCCS)C(=O)O 58482b350549bc217b07182000c54054 [0,1,0,1,0,0|2,0,0]=4 23512 B13R1.1979 C[C@]1(CCCN1CCCF)C(=O)O 6d18015f2cde56fe7f7bca41af82b84a [0,1,0,1,0,0|2,0,0]=4 23513 B13R1.1979 C[C@]1(CCCN1CCCO)C(=O)O bf8b17fa28b7029c914cf8dda1142312 [0,1,0,1,0,0|2,0,0]=4 23514 B13R1.1979 C[C@]1(CCCN1CCCS)C(=O)O c5b5c02be6efea4d54a5c69a085c0e46 [0,1,0,1,0,0|2,0,0]=4 23515 B13R1.2801 C=C(CN1CCCC1CC)C(=O)O bc06220624d108c9478960857be950fa [0,1,0,1,0,0|1,0,1]=4 23516 B13R1.2801 C=C(CN1CCC[C@H]1CC)C(=O)O 8b774c884e56bb237bda6a89a0f013d8 [0,1,0,1,0,0|1,0,1]=4 23517 B13R1.2801 CC(CN1CCCC1CO)C(=O)O a4a2c5ff726bb5c62278fda223214e93 [0,1,0,1,0,0|2,0,0]=4 23518 B13R1.2801 CC(CN1CCC[C@@H]1CF)C(=O)O b7b53ca173f1c6c060df8c0ef5e97971 [0,1,0,1,0,0|2,0,0]=4 23519 B13R1.2801 CC(CN1CCC[C@@H]1CO)C(=O)O 79be5c21cd92d2533dd5e3d5efd24d6e [0,1,0,1,0,0|2,0,0]=4 23520 B13R1.2801 CC(CN1CCC[C@H]1CF)C(=O)O 101074468a484427846f1cfc302712f2 [0,1,0,1,0,0|2,0,0]=4 23521 B13R1.2801 CC(CN1CCC[C@H]1CO)C(=O)O 0582f35f6fda03f27a5d22ff101c1f94 [0,1,0,1,0,0|2,0,0]=4 23522 B13R1.2801 CC(N[C@H]1CCC[C@H]1CO)C(=O)O bd4a150b87c5a2c40deec411a5aa0695 [0,1,0,1,0,0|2,0,0]=4 23523 B13R1.2801 CCC1CCCN1CC(=O)C(=O)O 5ad519b3d28b1173e4b82eeaea6e7ec8 [0,1,0,1,0,0|1,0,1]=4 23524 B13R1.2801 CCC1CCCN1CC(C)C(=O)O 1e2cb437f0d58b7fc6cdb3936f1a8dae [0,1,0,1,0,0|1,0,0]=3 23525 B13R1.2801 CCC1CCCN1CC(O)C(=O)O 820f3e903fc772beaf2e8f6d43f5a1f7 [0,1,0,1,0,0|1,0,0]=3 23526 B13R1.2801 CCC1CCCN1C[C@H](O)C(=O)O d4e74f87c81efec8fbb1082d7d5633c3 [0,1,0,1,0,0|1,0,0]=3 23527 B13R1.2801 CC[C@@H]1CCCN1CC(=O)C(=O)O 6dfead00a8101bdbd0b2904e6e3f43a4 [0,1,0,1,0,0|1,0,1]=4 23528 B13R1.2801 CC[C@@H]1CCCN1CC(C)C(=O)O ed7cd59968cb9a15babbaf5b636b0d4b [0,1,0,1,0,0|1,0,0]=3 23529 B13R1.2801 CC[C@@H]1CCCN1CC(O)C(=O)O bb02372afb38497096234625a2856954 [0,1,0,1,0,0|1,0,0]=3 23530 B13R1.2801 CC[C@@H]1CCCN1C[C@H](O)C(=O)O 04a589d8e24bf987e1b36bdcf3fac8d5 [0,1,0,1,0,0|1,0,0]=3 23531 B13R1.2801 CC[C@@H]1CCC[C@H]1NC(C)C(=O)C 7dad96d5560fab3e98604372a7d216d2 [0,1,0,1,0,0|2,0,0]=4 23532 B13R1.2801 CC[C@@H]1CCC[C@H]1NC(C)C(=O)N 342277e43168143271af8e0fccdae189 [0,1,0,1,0,0|2,0,0]=4 23533 B13R1.2801 CC[C@@H]1CCC[C@H]1NC(C)C(=O)O 837a868c4c0ef65c66ab97329c53c799 [0,1,0,1,0,0|1,0,0]=3 23534 B13R1.2801 CC[C@@H]1CCC[C@H]1NC(F)C(=O)N ca47d68e469c92caef9221a470fa905f [0,1,0,1,0,0|2,0,0]=4 23535 B13R1.2801 CC[C@@H]1CCC[C@H]1NC(F)C(=O)O 49a914f9bb2aad205b1992ecbeaab967 [0,1,0,1,0,0|1,0,0]=3 23536 B13R1.2801 CC[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)N 8b2d71142b8bbb3a0ff1fdfb72989d4a [0,1,0,1,0,0|2,0,0]=4 23537 B13R1.2801 CC[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)O cb78e7a3f988ba34d372a8ad321f8d58 [0,1,0,1,0,0|1,0,0]=3 23538 B13R1.2801 CC[C@@H]1CCC[C@H]1N[C@@H](F)C(=O)O 24ee6410ec0ad82d270811f556e643b8 [0,1,0,1,0,0|1,0,0]=3 23539 B13R1.2801 CC[C@@H]1CCC[C@H]1N[C@H](C)C(=O)N 1cfb134df9ee68702846b65f75c5b8b0 [0,1,0,1,0,0|2,0,0]=4 23540 B13R1.2801 CC[C@@H]1CCC[C@H]1N[C@H](C)C(=O)O 0752e2f6e5412b50f29fb0a5be8a79fb [0,1,0,1,0,0|1,0,0]=3 23541 B13R1.2801 COC1CCCC1NC(C)C(=O)O 30949afb5c8ab7445455d367b28e6031 [0,1,0,1,0,0|2,0,0]=4 23542 B13R1.2801 COC1CCCC1NC(F)C(=O)O a7e9826b66059803b09d635b840a42e9 [0,1,0,1,0,0|2,0,0]=4 23543 B13R1.2801 COC1CCCC1N[C@@H](C)C(=O)O 5cef6f6f1394b6876b1ddafac5d60c37 [0,1,0,1,0,0|2,0,0]=4 23544 B13R1.2801 COC1CCCC1N[C@@H](F)C(=O)O e6f0b68a4634ad1487cadfe4749e1a9d [0,1,0,1,0,0|2,0,0]=4 23545 B13R1.2801 COC1CCCC1N[C@H](C)C(=O)O 672c97f0ce296926b9282c8ca64ca48c [0,1,0,1,0,0|2,0,0]=4 23546 B13R1.2801 COC1CCCN1CC(C)C(=O)O a0737674f4e7f059e2fe18206625455f [0,1,0,1,0,0|2,0,0]=4 23547 B13R1.2801 CO[C@@H]1CCC[C@@H]1NC(C)C(=O)O 3090a5982772dac72bcef3bacf5151c9 [0,1,0,1,0,0|2,0,0]=4 23548 B13R1.2801 CO[C@@H]1CCC[C@@H]1NC(F)C(=O)O ad687b3489b4305aab63a0113351b356 [0,1,0,1,0,0|2,0,0]=4 23549 B13R1.2801 CO[C@@H]1CCC[C@@H]1N[C@@H](C)C(=O)O cadea89243c729d33de1d2ddc324a611 [0,1,0,1,0,0|2,0,0]=4 23550 B13R1.2801 CO[C@@H]1CCC[C@@H]1N[C@@H](F)C(=O)O c2c7f90b52f111e0532b830d83a6ccc7 [0,1,0,1,0,0|2,0,0]=4 23551 B13R1.2801 CO[C@@H]1CCC[C@@H]1N[C@H](C)C(=O)O 840999cea7d1b24273ef06208c03b778 [0,1,0,1,0,0|2,0,0]=4 23552 B13R1.2801 CO[C@@H]1CCC[C@H]1NC(C)C(=O)O ca37a132183815174f9ce8c91393ba0f [0,1,0,1,0,0|2,0,0]=4 23553 B13R1.2801 CO[C@@H]1CCC[C@H]1NC(F)C(=O)O a031a3589fb45accda76061a16383195 [0,1,0,1,0,0|2,0,0]=4 23554 B13R1.2801 CO[C@@H]1CCC[C@H]1N[C@@H](C)C(=O)O 9558f82164e233520696ad74f01883d8 [0,1,0,1,0,0|2,0,0]=4 23555 B13R1.2801 CO[C@@H]1CCC[C@H]1N[C@@H](F)C(=O)O d3287f062ae2bbe9711dd14c56800244 [0,1,0,1,0,0|2,0,0]=4 23556 B13R1.2801 CO[C@@H]1CCC[C@H]1N[C@H](C)C(=O)O 474d100f522907d1954d716035fa6868 [0,1,0,1,0,0|2,0,0]=4 23557 B13R1.2801 CO[C@H]1CCC[C@@H]1NC(C)C(=O)O e77c737d898fbd7fde8691eba7581089 [0,1,0,1,0,0|2,0,0]=4 23558 B13R1.2801 CO[C@H]1CCC[C@@H]1NC(F)C(=O)O 699d3deca066edc7e6548807c86d8c67 [0,1,0,1,0,0|2,0,0]=4 23559 B13R1.2801 CO[C@H]1CCC[C@@H]1N[C@@H](C)C(=O)O 98d2bc3c63580b4cf31f2a3951b1cb46 [0,1,0,1,0,0|2,0,0]=4 23560 B13R1.2801 CO[C@H]1CCC[C@@H]1N[C@@H](F)C(=O)O 969f6497f4de0b80715679c21a513bd5 [0,1,0,1,0,0|2,0,0]=4 23561 B13R1.2801 CO[C@H]1CCC[C@@H]1N[C@H](C)C(=O)O b8aca36d2262137749e8602d9744b6b2 [0,1,0,1,0,0|2,0,0]=4 23562 B13R1.2801 C[C@@H](N[C@H]1CCC[C@H]1CO)C(=O)O 09f1572d7b39abce50c2b25c60e69c09 [0,1,0,1,0,0|2,0,0]=4 23563 B13R1.2801 C[C@H](N[C@H]1CCC[C@H]1CO)C(=O)O 0c317c99dec2e6dbcdf36365946edb6b [0,1,0,1,0,0|2,0,0]=4 23564 B13R1.2801 O=C(O)C(O)CN1CCCC1CO 52f6622aeaee70e9811ef461e19beb4c [0,1,0,1,0,0|2,0,0]=4 23565 B13R1.2801 O=C(O)C(O)CN1CCC[C@@H]1CO 7e5533d95a28c7b70ea0651d350d9260 [0,1,0,1,0,0|2,0,0]=4 23566 B13R1.2801 O=C(O)C(O)CN1CCC[C@H]1CO 4ea4d3874a25876cacb3586d4327ff72 [0,1,0,1,0,0|2,0,0]=4 23567 B13R1.2801 O=C(O)[C@@H](O)CN1CCCC1CO 6a32ad0f9cbd6cd2b066c566bf490fb7 [0,1,0,1,0,0|2,0,0]=4 23568 B13R1.2801 O=C(O)[C@@H](O)CN1CCC[C@@H]1CO d7688f9db513eb7b5d27cbb938dca537 [0,1,0,1,0,0|2,0,0]=4 23569 B13R1.2801 O=C(O)[C@@H](O)CN1CCC[C@H]1CO d9c2a4e171b342d88887e61cf0c11881 [0,1,0,1,0,0|2,0,0]=4 23570 B13R1.2839 C=C(CNCCC1CCC1)C(=O)O a5505607fb8b1e2137c4148c219097aa [0,1,0,1,0,0|1,0,1]=4 23571 B13R1.2839 C=C(COCCC1CCC1)C(=O)O 58ad5d9003c1382b79402dcdc4f67946 [0,1,0,1,0,0|1,0,1]=4 23572 B13R1.2839 CC(=O)C(C)CCNCC1CCC1 d52cd9661bf06b1be74a55ed332c9dfd [0,1,0,1,0,0|2,0,0]=4 23573 B13R1.2839 CC(=O)C(C)CCOCC1CCC1 02ae53fac50836ff1fa0e7f18ce79f22 [0,1,0,1,0,0|2,0,0]=4 23574 B13R1.2839 CC(=O)C(C)COCCC1CCC1 a80087a85dd5cefdca0da203dbb9fd57 [0,1,0,1,0,0|2,0,0]=4 23575 B13R1.2839 CC(=O)C(C)OCCCC1CCC1 3578f6016cbf68f46840412bbbe7765a [0,1,0,1,0,0|2,0,0]=4 23576 B13R1.2839 CC(CCCNC1CCC1)C(=O)O 75d52245b0f2754708aea52b0be4dfe7 [0,1,0,1,0,0|1,0,0]=3 23577 B13R1.2839 CC(CCCNC1COC1)C(=O)O 3f34dfd7dec2b73375afa218309be0f1 [0,1,0,1,0,0|2,0,0]=4 23578 B13R1.2839 CC(CCCOC1CCC1)C(=O)O f8995d1cc2b859f773b831fd4b58d9bf [0,1,0,1,0,0|1,0,0]=3 23579 B13R1.2839 CC(CCCOC1COC1)C(=O)O df33656f778958727ced7f814935575d [0,1,0,1,0,0|2,0,0]=4 23580 B13R1.2839 CC(CCCOC1CSC1)C(=O)O fcf6ef5a774692668bc7900f3b3b041f [0,1,0,1,0,0|2,0,0]=4 23581 B13R1.2839 CC(CNCCC1CCC1)C(=O)O 265c582ed1c6db0bac910784b89bf993 [0,1,0,1,0,0|1,0,0]=3 23582 B13R1.2839 CC(CNCCC1CCO1)C(=O)O c4687b9194b0712b142694532ba81265 [0,1,0,1,0,0|2,0,0]=4 23583 B13R1.2839 CC(CNCCC1COC1)C(=O)O 19d572e2fa9a69216ab1127073d0196f [0,1,0,1,0,0|2,0,0]=4 23584 B13R1.2839 CC(CNCCN1CCC1)C(=O)O 2188553a8b52fc3f49a1a8cd2e370b20 [0,1,0,1,0,0|2,0,0]=4 23585 B13R1.2839 CC(CNCC[C@@H]1CCO1)C(=O)O 03b80bd1935fbbd1803bc10ff3f9d7c4 [0,1,0,1,0,0|2,0,0]=4 23586 B13R1.2839 CC(COCCC1CCC1)C(=O)O e46c0b2559cd36ca1fd8f09d8de48335 [0,1,0,1,0,0|1,0,0]=3 23587 B13R1.2839 CC(COCCC1CCO1)C(=O)O 11cd98d724ff5875239b3a30e68b46de [0,1,0,1,0,0|2,0,0]=4 23588 B13R1.2839 CC(COCCC1COC1)C(=O)O 680840b153f21f4a53b128e55dc9e6f8 [0,1,0,1,0,0|2,0,0]=4 23589 B13R1.2839 CC(COCCN1CCC1)C(=O)O 6de9a020188e26ccad2dbcf8e37a6888 [0,1,0,1,0,0|2,0,0]=4 23590 B13R1.2839 CC(COCC[C@@H]1CCO1)C(=O)O 06f982d50a150c0c2c698d37f29c2d4e [0,1,0,1,0,0|2,0,0]=4 23591 B13R1.2839 CC(COCC[C@H]1CCO1)C(=O)O 021e06bc5eb268e7a0904317fef8a074 [0,1,0,1,0,0|2,0,0]=4 23592 B13R1.2839 CC(NCCOC1CCC1)C(=O)O 3f29b7f3a38ac9ad98cf04b109e7cc16 [0,1,0,1,0,0|2,0,0]=4 23593 B13R1.2839 CC(OCCCC1CCC1)C(=O)N e44f958576ef67e3f8b40594a9a7d45e [0,1,0,1,0,0|2,0,0]=4 23594 B13R1.2839 CC(OCCOC1CCC1)C(=O)O 9e4cb0ae28972e08780c89070ae41d77 [0,1,0,1,0,0|2,0,0]=4 23595 B13R1.2839 C[C@@H](CNCCC1CCC1)C(=O)O d91fe4f4dc674119f5befad185514a2e [0,1,0,1,0,0|1,0,0]=3 23596 B13R1.2839 C[C@@H](CNCCC1CCO1)C(=O)O 3090cbcb3a834aeef54c9fe98a6ea17f [0,1,0,1,0,0|2,0,0]=4 23597 B13R1.2839 C[C@@H](CNCCC1COC1)C(=O)O ddf95fdef04f5545ba519e658d4cd924 [0,1,0,1,0,0|2,0,0]=4 23598 B13R1.2839 C[C@@H](COCCC1CCC1)C(=O)O 2ff5dff0b62346c6740e026bec67691d [0,1,0,1,0,0|1,0,0]=3 23599 B13R1.2839 C[C@@H](COCCC1CCO1)C(=O)O e5065d8c792228ab0741439cc0d7d165 [0,1,0,1,0,0|2,0,0]=4 23600 B13R1.2839 C[C@@H](COCCC1COC1)C(=O)O f6edac84d0a43b22cc91c9992accf339 [0,1,0,1,0,0|2,0,0]=4 23601 B13R1.2839 C[C@@H](NCCOC1CCC1)C(=O)O 3c7f61c5997965a0888232fe2fbc843b [0,1,0,1,0,0|2,0,0]=4 23602 B13R1.2839 C[C@@H](OCCCC1CCC1)C(=O)N b8679ab5dcc08d89328f8306d2268972 [0,1,0,1,0,0|2,0,0]=4 23603 B13R1.2839 C[C@@H](OCCOC1CCC1)C(=O)O bc8c10189f3acd66c5418c70cae9170f [0,1,0,1,0,0|2,0,0]=4 23604 B13R1.2839 C[C@H](CNCCC1CCC1)C(=O)O af30ffc955f0454b0256ed013af4e6a4 [0,1,0,1,0,0|1,0,0]=3 23605 B13R1.2839 C[C@H](CNCCC1CCO1)C(=O)O f036d2dc883fa569c6952358cab63bd6 [0,1,0,1,0,0|2,0,0]=4 23606 B13R1.2839 C[C@H](CNCCC1COC1)C(=O)O 2ab389fd608dcf7e1cdfb26e7251e467 [0,1,0,1,0,0|2,0,0]=4 23607 B13R1.2839 C[C@H](COCCC1CCC1)C(=O)O 2edd3e3b7e52d6970abdb4f71341e73b [0,1,0,1,0,0|1,0,0]=3 23608 B13R1.2839 C[C@H](COCCC1CCO1)C(=O)O 200f9d73f3c3d360762c075fd8d54535 [0,1,0,1,0,0|2,0,0]=4 23609 B13R1.2839 C[C@H](COCCC1COC1)C(=O)O 75bc15da8fe7a5bfeb1ae7d2ab60ccc3 [0,1,0,1,0,0|2,0,0]=4 23610 B13R1.2839 C[C@H](NCCOC1CCC1)C(=O)O 42895b1a85c0138a07add80d699c6942 [0,1,0,1,0,0|2,0,0]=4 23611 B13R1.2839 C[C@H](OCCCC1CCC1)C(=O)N d9a8020105d71025980becc5118652a3 [0,1,0,1,0,0|2,0,0]=4 23612 B13R1.2839 C[C@H](OCCOC1CCC1)C(=O)O e1514503a024f44e9efdb6c33c427638 [0,1,0,1,0,0|2,0,0]=4 23613 B13R1.2839 NC(=O)C(F)OCCCC1CCC1 5fe2e5bc3647230545f00b41633c78a7 [0,1,0,1,0,0|2,0,0]=4 23614 B13R1.2839 O=C(O)C(=O)CNCCC1CCC1 6ef3e6c8009cfde20591756e05f4592f [0,1,0,1,0,0|1,0,1]=4 23615 B13R1.2839 O=C(O)C(=O)COCCC1CCC1 eb45ae4abf5ec166d12ae2e0a780d240 [0,1,0,1,0,0|1,0,1]=4 23616 B13R1.2839 O=C(O)C(F)CCNCC1CCC1 ee6396ea67b83d1416bf097be33fda1b [0,1,0,1,0,0|1,0,0]=3 23617 B13R1.2839 O=C(O)C(F)CCNCC1CCO1 abce3a2c477292aa0916304ffab9da5e [0,1,0,1,0,0|2,0,0]=4 23618 B13R1.2839 O=C(O)C(F)CCNCC1COC1 7e1aa82c2b0287ba3850dcccbe011899 [0,1,0,1,0,0|2,0,0]=4 23619 B13R1.2839 O=C(O)C(F)CCNC[C@@H]1CCO1 1120de806617a3c0b65ec0e477be5e22 [0,1,0,1,0,0|2,0,0]=4 23620 B13R1.2839 O=C(O)C(F)CCNC[C@H]1CCO1 ddcf20875b1e1f6063d80c3c2145643c [0,1,0,1,0,0|2,0,0]=4 23621 B13R1.2839 O=C(O)C(F)CNCCC1CCC1 fd252d68a2264ff28bb87c85c0d7ee00 [0,1,0,1,0,0|1,0,0]=3 23622 B13R1.2839 O=C(O)C(F)CNCCC1CCO1 22583240f4e7d0876db6d172c29b0593 [0,1,0,1,0,0|2,0,0]=4 23623 B13R1.2839 O=C(O)C(F)CNCCC1COC1 8b969ef8f113f4885bbac8e263647a82 [0,1,0,1,0,0|2,0,0]=4 23624 B13R1.2839 O=C(O)C(F)OCCOC1CCC1 2807be9f65cad57e407f21eb2122366c [0,1,0,1,0,0|2,0,0]=4 23625 B13R1.2839 O=C(O)C(O)CCNCC1CCC1 ce8a871281a413811bad5764de28c199 [0,1,0,1,0,0|1,0,0]=3 23626 B13R1.2839 O=C(O)C(O)CCNCC1CCO1 839cbc3827edf23b4e2a9c22eed7fc4d [0,1,0,1,0,0|2,0,0]=4 23627 B13R1.2839 O=C(O)C(O)CCNCC1COC1 d1df10aa25ad199668fd7f021090458b [0,1,0,1,0,0|2,0,0]=4 23628 B13R1.2839 O=C(O)C(O)CCNC[C@@H]1CCO1 de237833ca6b0c4b1bc87659417ecaa5 [0,1,0,1,0,0|2,0,0]=4 23629 B13R1.2839 O=C(O)C(O)CCNC[C@H]1CCO1 10bfb493dc13334454edd9daf61e100b [0,1,0,1,0,0|2,0,0]=4 23630 B13R1.2839 O=C(O)C(O)CNCCC1CCC1 305d07b07b913a1fcd2f5d04d29c8cd0 [0,1,0,1,0,0|1,0,0]=3 23631 B13R1.2839 O=C(O)C(O)CNCCC1CCO1 767ea641e7475f0b4d7679f3cd27e34f [0,1,0,1,0,0|2,0,0]=4 23632 B13R1.2839 O=C(O)C(O)CNCCC1COC1 7cd79fc1636f297d3882b5d769b1c5a9 [0,1,0,1,0,0|2,0,0]=4 23633 B13R1.2839 O=C(O)C(O)CNCC[C@@H]1CCO1 34ffc6999f4db89500c4b458e3c8cbc4 [0,1,0,1,0,0|2,0,0]=4 23634 B13R1.2839 O=C(O)C(O)NCCOC1CCC1 e4e6bc7acad7e31f3069caad7fe998ed [0,1,0,1,0,0|2,0,0]=4 23635 B13R1.2839 O=C(O)[C@@H](O)CCNCC1CCC1 99a0f3737d911fdf68a6d3e3cd5090a9 [0,1,0,1,0,0|1,0,0]=3 23636 B13R1.2839 O=C(O)[C@@H](O)CCNCC1CCO1 76076a1af73852e2599de6ebbf2c8901 [0,1,0,1,0,0|2,0,0]=4 23637 B13R1.2839 O=C(O)[C@@H](O)CCNCC1COC1 479b2e346db4521b95e50a9269a7a241 [0,1,0,1,0,0|2,0,0]=4 23638 B13R1.2839 O=C(O)[C@@H](O)CCNC[C@@H]1CCO1 3e26a0a8c44e063cc2aa76bf4420ac6a [0,1,0,1,0,0|2,0,0]=4 23639 B13R1.2839 O=C(O)[C@@H](O)CCNC[C@H]1CCO1 27dd0193fa6bd22f1b20c69fd2b2fb2e [0,1,0,1,0,0|2,0,0]=4 23640 B13R1.2839 O=C(O)[C@@H](O)CNCCC1CCC1 151d5a0fa0c9964549b09520f98e3222 [0,1,0,1,0,0|1,0,0]=3 23641 B13R1.2839 O=C(O)[C@@H](O)CNCCC1CCO1 38386ebabccd0168668874bbaaeb88c1 [0,1,0,1,0,0|2,0,0]=4 23642 B13R1.2839 O=C(O)[C@@H](O)CNCCC1COC1 761b6e65805110a129cda07c3ce3c844 [0,1,0,1,0,0|2,0,0]=4 23643 B13R1.2839 O=C(O)[C@@H](O)CNCC[C@@H]1CCO1 3ac88e5525a1a1483d0fde8fea7f7e49 [0,1,0,1,0,0|2,0,0]=4 23644 B13R1.2839 O=C(O)[C@H](F)OCCOC1CCC1 8268d4f31b5b6194cf9f33ff7b162e06 [0,1,0,1,0,0|2,0,0]=4 23645 B13R1.2839 O=C(O)[C@H](O)CNCCC1CCC1 a008e418dcadcbb9674aeca3365c627c [0,1,0,1,0,0|1,0,0]=3 23646 B13R1.2839 O=C(O)[C@H](O)CNCCC1CCO1 55d426d861eed8c5506b9c565c2be65c [0,1,0,1,0,0|2,0,0]=4 23647 B13R1.2839 O=C(O)[C@H](O)CNCCC1COC1 cf848d4704d607371c24202494ef9bc7 [0,1,0,1,0,0|2,0,0]=4 23648 B13R1.2840 C=C(COCCCC1CC1)C(=O)O ca58095b8ce4a4fcc384b1359fcd192e [0,1,0,1,0,0|1,0,1]=4 23649 B13R1.2840 CC(=O)C(C)CCNCCC1CC1 cc7f3ac4f9cfd27ab7d01bc89d9cefb0 [0,1,0,1,0,0|2,0,0]=4 23650 B13R1.2840 CC(=O)C(C)CCOCCC1CC1 8ff2f09fa8250caee31f3eb064599817 [0,1,0,1,0,0|2,0,0]=4 23651 B13R1.2840 CC(CCCNCC1CC1)C(=O)O 560f4baf851d0a44d928028d858ddf75 [0,1,0,1,0,0|1,0,0]=3 23652 B13R1.2840 CC(CCCOCC1CC1)C(=O)O f1b1352254c73d9b7f5f1cae1ffbf91a [0,1,0,1,0,0|1,0,0]=3 23653 B13R1.2840 CC(CNCCOC1CC1)C(=O)O 15bbfe0059c2306743662c135ed00c58 [0,1,0,1,0,0|2,0,0]=4 23654 B13R1.2840 CC(COCCCC1CC1)C(=O)O 9fa69ce639685efadc2ebe9088ad7611 [0,1,0,1,0,0|1,0,0]=3 23655 B13R1.2840 CC(COCCOC1CC1)C(=O)O 3095284aa63ebd7864ca6942ae24252c [0,1,0,1,0,0|2,0,0]=4 23656 B13R1.2840 CC(CSCCNC1CC1)C(=O)O a01f0364ff0bd567d24b3ee0485ce9fe [0,1,0,1,0,0|2,0,0]=4 23657 B13R1.2840 CC(NCCSCC1CC1)C(=O)O b6317e73bd952d1dc42fda5db5946581 [0,1,0,1,0,0|2,0,0]=4 23658 B13R1.2840 CC(OCCOCC1CC1)C(=O)O ccc6e4924069a5e24c9be898f4be9dd1 [0,1,0,1,0,0|2,0,0]=4 23659 B13R1.2840 C[C@@H](CNCCOC1CC1)C(=O)O a0132d66a7db414e186fc816dcc998f5 [0,1,0,1,0,0|2,0,0]=4 23660 B13R1.2840 C[C@@H](COCCOC1CC1)C(=O)O 9a52af2d7a47ca9d4a2e96759f55566b [0,1,0,1,0,0|2,0,0]=4 23661 B13R1.2840 C[C@@H](NCCSCC1CC1)C(=O)O 56c9f9cb4460729e39e8b65d2dba315d [0,1,0,1,0,0|2,0,0]=4 23662 B13R1.2840 C[C@@H](OCCOCC1CC1)C(=O)O 0702c0428014801bfd3a7628647feaaa [0,1,0,1,0,0|2,0,0]=4 23663 B13R1.2840 C[C@H](CNCCOC1CC1)C(=O)O 8f6e993762ad42cfc3d56eef01227268 [0,1,0,1,0,0|2,0,0]=4 23664 B13R1.2840 C[C@H](COCCOC1CC1)C(=O)O 7559aa20dfa461667bb2b3707ba3fd83 [0,1,0,1,0,0|2,0,0]=4 23665 B13R1.2840 C[C@H](NCCSCC1CC1)C(=O)O 1293638729fdd6328ff7784725c20e4b [0,1,0,1,0,0|2,0,0]=4 23666 B13R1.2840 C[C@H](OCCOCC1CC1)C(=O)O b52fa35eb96316e9eeba50e19a76c6f9 [0,1,0,1,0,0|2,0,0]=4 23667 B13R1.2840 O=C(O)C(=O)COCCCC1CC1 2eae18f402705a98900183dd9d0c1229 [0,1,0,1,0,0|1,0,1]=4 23668 B13R1.2840 O=C(O)C(F)CCNCCC1CC1 0e9e0c0d4acf9ff9cd5f4365753ff600 [0,1,0,1,0,0|1,0,0]=3 23669 B13R1.2840 O=C(O)C(F)CNCCOC1CC1 f447053b5e68a43e7be79cfef9bdf4c4 [0,1,0,1,0,0|2,0,0]=4 23670 B13R1.2840 O=C(O)C(F)OCCOCC1CC1 3c8cbe50f8a66a56620044ddbf9b9ed8 [0,1,0,1,0,0|2,0,0]=4 23671 B13R1.2840 O=C(O)C(O)CCNCCC1CC1 3c5e91d9d59bc08097f9290ad9522bf9 [0,1,0,1,0,0|1,0,0]=3 23672 B13R1.2840 O=C(O)C(O)CNCCOC1CC1 7095502a9584c30d3dd3e4bbba150a0a [0,1,0,1,0,0|2,0,0]=4 23673 B13R1.2840 O=C(O)[C@@H](O)CCNCCC1CC1 13b8ea674b152fee39d513c07bf962d2 [0,1,0,1,0,0|1,0,0]=3 23674 B13R1.2840 O=C(O)[C@@H](O)CNCCOC1CC1 c47ea7c7fe765484f2262909b221479c [0,1,0,1,0,0|2,0,0]=4 23675 B13R1.2840 O=C(O)[C@H](F)OCCOCC1CC1 3de8099faa96ec4f98a3cc615a1c1d5a [0,1,0,1,0,0|2,0,0]=4 23676 B13R1.2840 O=C(O)[C@H](O)CNCCOC1CC1 1f8a379689ccc3aeaab4e1b9de0dc0b6 [0,1,0,1,0,0|2,0,0]=4 23677 B13R1.2885 CC(CN1CCC1CCO)C(=O)O aac05442378543b89233bdc4f257fb3b [0,1,0,1,0,0|2,0,0]=4 23678 B13R1.2885 COCC1CCN1CC(C)C(=O)O 57d467e9012bdc61016599c8b2209a27 [0,1,0,1,0,0|2,0,0]=4 23679 B13R1.2885 COC[C@@H]1CCN1CC(C)C(=O)O 379e2bc46a153bb017915070eb105ccd [0,1,0,1,0,0|2,0,0]=4 23680 B13R1.2885 COC[C@H]1CCN1CC(C)C(=O)O bca0acdd4decc494581f97ac146b41b8 [0,1,0,1,0,0|2,0,0]=4 23681 B13R1.2885 O=C(O)C(O)CN1CCC1CCO dd2e7932c303427a19321e15ed322d9b [0,1,0,1,0,0|2,0,0]=4 23682 B13R1.2885 O=C(O)[C@@H](O)CN1CCC1CCO af4e382c07011aeeda90f66033830824 [0,1,0,1,0,0|2,0,0]=4 23683 B13R1.3766 CC(=O)C(C)N1CCCCCC1C 296b5900d60a1311d3bac13998211292 [0,1,0,1,0,0|2,0,0]=4 23684 B13R1.3766 CC1CCCCCN1C(C)C(=O)N 3668c0b331be0320db7e60889059dd94 [0,1,0,1,0,0|2,0,0]=4 23685 B13R1.3766 CC1CCCCCN1C(F)C(=O)N 46338c7f22640179017b75ec925e58ae [0,1,0,1,0,0|2,0,0]=4 23686 B13R1.3766 CC1CCCCCN1[C@@H](C)C(=O)N 6c5f30dac04d2bcc8d1cfa638a4420a4 [0,1,0,1,0,0|2,0,0]=4 23687 B13R1.3766 CC1CCCCCN1[C@H](C)C(=O)N fbfd1934b3e2087ef63290b47acd1986 [0,1,0,1,0,0|2,0,0]=4 23688 B13R1.3766 CC1CCOCCN1C(F)C(=O)O a6622c9a271456b2b350d393fda50706 [0,1,0,1,0,0|2,0,0]=4 23689 B13R1.3766 CC1CCOCCN1[C@@H](F)C(=O)O eb4d8cd6840da56765aaf5b93e037baf [0,1,0,1,0,0|2,0,0]=4 23690 B13R1.3766 CC1CCSCCN1C(C)C(=O)O fcf1a4275c8b099ab0c2e8e3101b4735 [0,1,0,1,0,0|2,0,0]=4 23691 B13R1.3766 CC1CCSCCN1C(F)C(=O)O 7173ffaf71185d925ccf2a4d6a9c7bfb [0,1,0,1,0,0|2,0,0]=4 23692 B13R1.3766 CC1CCSCCN1[C@@H](C)C(=O)O 2b384db0a83406e02f621c1d1f446db1 [0,1,0,1,0,0|2,0,0]=4 23693 B13R1.3766 CC1CCSCCN1[C@@H](F)C(=O)O 30bb0cbfa82dd02c5e6c4c0a4d2d790a [0,1,0,1,0,0|2,0,0]=4 23694 B13R1.3766 CC1CCSCCN1[C@H](C)C(=O)O 4e3f9e7c1e932f6dbaf93f08e3e751fc [0,1,0,1,0,0|2,0,0]=4 23695 B13R1.6161 CC(=O)C(C)N1CCCCCCC1 37f3d87e8000c242e95b059e8a467127 [0,1,0,1,0,0|2,0,0]=4 23696 B13R1.6161 CC(=O)N(C)C1CCCCCCC1 54495d99da6cd046f11280de953aad61 [0,1,0,1,0,0|2,0,0]=4 23697 B13R1.6161 CC(C(=O)N)N1CCCCCCC1 64bfbee121beb1ba03971593443b50fe [0,1,0,1,0,0|2,0,0]=4 23698 B13R1.6161 CC(C(=O)O)N1CCCCCCC1 6afdafea4a41dd6dc63d866c061060ca [0,1,0,1,0,0|1,0,0]=3 23699 B13R1.6161 C[C@@H](C(=O)N)N1CCCCCCC1 cb3808891117dc837953c525836472e5 [0,1,0,1,0,0|2,0,0]=4 23700 B13R1.6161 C[C@@H](C(=O)O)N1CCCCCCC1 65ceafa591bc91da2f983124702c216b [0,1,0,1,0,0|1,0,0]=3 23701 B13R1.6161 C[C@H](C(=O)N)N1CCCCCCC1 2734583ca6b580d092b0234e17e81ef3 [0,1,0,1,0,0|2,0,0]=4 23702 B13R1.6161 C[C@H](C(=O)O)N1CCCCCCC1 2c83cc96f1b1abeca5c625031d0b69ee [0,1,0,1,0,0|1,0,0]=3 23703 B13R1.6192 C=C(CN1CCCCCC1)C(=O)O ba2e3c58c97142d882e2c67ceffa7277 [0,1,0,1,0,0|1,0,1]=4 23704 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 e20cd24bc8ac41e99d315602773aa5c2 [0,1,0,1,0,0|2,0,0]=4 23705 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 be191ce54c8ab62216fb579b0830145b [0,1,0,1,0,0|2,0,0]=4 23706 B13R1.6192 CC(=O)N(C)CC1CCCCCC1 420e07c0af1fab03e7ee219e3b084a71 [0,1,0,1,0,0|2,0,0]=4 23707 B13R1.6192 CC(CN1CCCCCC1)C(=O)O 15e4dace6b348984ff9dce1f7ee078dc [0,1,0,1,0,0|1,0,0]=3 23708 B13R1.6192 CC(CN1CCCOCC1)C(=O)O 6fb4ab28892174e3a35475c1d603452a [0,1,0,1,0,0|2,0,0]=4 23709 B13R1.6192 CC(NC1CCCCCC1)C(=O)N fb390ba99047b472cf53f4f5ffe748a2 [0,1,0,1,0,0|2,0,0]=4 23710 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 572ec9126e5b4722882fcdd8037bf021 [0,1,0,1,0,0|2,0,0]=4 23711 B13R1.6192 CC(OC1CCCCCC1)C(=O)O cea0c21865feff57c6234e5e0c31886b [0,1,0,1,0,0|1,0,0]=3 23712 B13R1.6192 CC(OC1CCCOCC1)C(=O)O 62b6ec8cfe27acf94e622255d50f062b [0,1,0,1,0,0|2,0,0]=4 23713 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N b67c6ea2811838eb8afd8a4accf5f2a9 [0,1,0,1,0,0|2,0,0]=4 23714 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)N aad81aa919bd044e20cf09cf3ba3acbd [0,1,0,1,0,0|2,0,0]=4 23715 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)O f0b96e389dd2596a394c90bf554f0c2e [0,1,0,1,0,0|1,0,0]=3 23716 B13R1.6192 C[C@@H](OC1CCCOCC1)C(=O)O db7ea7b4f56944f34709824e97f520df [0,1,0,1,0,0|2,0,0]=4 23717 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)N 206179ffd0bc828894ea40039a958c89 [0,1,0,1,0,0|2,0,0]=4 23718 B13R1.6192 C[C@H](OC1CCCCCC1)C(=O)N 0f3d54a05e18e129e8ceec072fbe3d8a [0,1,0,1,0,0|2,0,0]=4 23719 B13R1.6192 C[C@H](OC1CCCCCC1)C(=O)O 301439472fa55ed1ebcb3f16210635e9 [0,1,0,1,0,0|1,0,0]=3 23720 B13R1.6192 C[C@H](OC1CCCOCC1)C(=O)O 98078fb1e6ca3c5ef4a778be3af1e205 [0,1,0,1,0,0|2,0,0]=4 23721 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 53c50472ad308c9ce602a057b19fcb9c [0,1,0,1,0,0|2,0,0]=4 23722 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 4211f31764ae9055ee865d7efe5231df [0,1,0,1,0,0|2,0,0]=4 23723 B13R1.6192 O=C(O)C(=O)CN1CCCCCC1 d1fd5af69717f1b1ecf25042cd9ced0c [0,1,0,1,0,0|1,0,1]=4 23724 B13R1.6192 O=C(O)C(F)OC1CCCCCC1 bd10530074ae412f3af22eaad012892b [0,1,0,1,0,0|1,0,0]=3 23725 B13R1.6192 O=C(O)C(O)NC1CCCCCC1 b448af842345d463dbd22bc167b9ed8a [0,1,0,1,0,0|1,0,0]=3 23726 B13R1.45 CC(=O)CCN(C)C1CCCCC1 84fe8886e8baaa58de20dbba16ad23e8 [0,1,0,1,0,0|2,0,0]=4 23727 B13R1.45 CC(=O)CNC(C)C1CCCCC1 5ca8351f0f951835802b37e017d25313 [0,1,0,1,0,0|2,0,0]=4 23728 B13R1.45 CC(=O)COC(C)C1CCCCC1 8c1f2b3cec41aeaabd75157cfebbfc7f [0,1,0,1,0,0|2,0,0]=4 23729 B13R1.45 CC(=O)NCC(O)C1CCCCC1 f2180323eda7b20359247bcfd0857c3f [0,1,0,1,0,0|2,0,0]=4 23730 B13R1.45 CC(CCC(=O)O)N1CCCOC1 560035caed3d718446f199f83e87092e [0,1,0,1,0,0|2,0,0]=4 23731 B13R1.45 CC(CCC(=O)O)N1CCCSC1 747d8fbb2a9f5c442cefcea7df25fcfb [0,1,0,1,0,0|2,0,0]=4 23732 B13R1.45 CC(CCC(=O)O)N1CCOCC1 a68fffb74620c1c87382d2cf2d11f00f [0,1,0,1,0,0|2,0,0]=4 23733 B13R1.45 CC(CCC(=O)O)N1CCSCC1 e95bc47e40f4039a305ed5df2b33c4f8 [0,1,0,1,0,0|2,0,0]=4 23734 B13R1.45 CC(NCC(=O)N)C1CCCCC1 1979e5a443376c010b90bd48a096ccb3 [0,1,0,1,0,0|2,0,0]=4 23735 B13R1.45 CC(NCC(=O)O)C1CCCCC1 2920db440a8ea957d58177f310af9429 [0,1,0,1,0,0|1,0,0]=3 23736 B13R1.45 CC(NCC(=O)O)C1CCOCC1 445c6ebdc9093be5b7674e44a46e4f0b [0,1,0,1,0,0|2,0,0]=4 23737 B13R1.45 CC(OCC(=O)N)C1CCCCC1 9149616138e2a08164091f4451db0cac [0,1,0,1,0,0|2,0,0]=4 23738 B13R1.45 CC(OCC(=O)O)C1CCCCC1 a3470ee29979ca8dd3ea9a48d9d3237a [0,1,0,1,0,0|1,0,0]=3 23739 B13R1.45 CC(OCC(=O)O)C1CCOCC1 9323601c4c0d109b63bc48099e64e5dc [0,1,0,1,0,0|2,0,0]=4 23740 B13R1.45 CC(OCS(=O)O)C1CCCCC1 2349bd3e12e1efded651329494969a74 [0,1,0,1,0,0|2,0,0]=4 23741 B13R1.45 CN(CCC(=O)N)C1CCCCC1 b1c9398045779738d1ed15513c69290a [0,1,0,1,0,0|2,0,0]=4 23742 B13R1.45 CN(CCC(=O)O)C1CCCCC1 029a0848018dfc5cce8d747db28493b4 [0,1,0,1,0,0|1,0,0]=3 23743 B13R1.45 CN(CCC(=O)O)C1CCCOC1 9be487459077748e7ed1a67f3a8055cb [0,1,0,1,0,0|2,0,0]=4 23744 B13R1.45 CN(CCC(=O)O)C1CCOCC1 e9026a80b60f0044c41fb5a9ec488711 [0,1,0,1,0,0|2,0,0]=4 23745 B13R1.45 C[C@@H](NCC(=O)N)C1CCCCC1 ab1cad28122bda2270d62090da352a74 [0,1,0,1,0,0|2,0,0]=4 23746 B13R1.45 C[C@@H](NCC(=O)O)C1CCCCC1 ee4d40b72e180f5c210992d56f87c7ef [0,1,0,1,0,0|1,0,0]=3 23747 B13R1.45 C[C@@H](NCC(=O)O)C1CCOCC1 83b20b971bb59d1549074065d5833d59 [0,1,0,1,0,0|2,0,0]=4 23748 B13R1.45 C[C@@H](OCC(=O)N)C1CCCCC1 c2b2dfb7e6ad64328cc6495a4e89a46c [0,1,0,1,0,0|2,0,0]=4 23749 B13R1.45 C[C@@H](OCC(=O)O)C1CCCCC1 6ab8f1895a0976ff65527ee7513fc38d [0,1,0,1,0,0|1,0,0]=3 23750 B13R1.45 C[C@@H](OCC(=O)O)C1CCOCC1 80362e9fe14513d6068854a7bcd85249 [0,1,0,1,0,0|2,0,0]=4 23751 B13R1.45 C[C@H](NCC(=O)N)C1CCCCC1 b6088b051f445dc460e948872a799011 [0,1,0,1,0,0|2,0,0]=4 23752 B13R1.45 C[C@H](NCC(=O)O)C1CCCCC1 6716c65cd4ca47e9c1d5080aa9cb4db8 [0,1,0,1,0,0|1,0,0]=3 23753 B13R1.45 C[C@H](NCC(=O)O)C1CCOCC1 e5f20b6789ceee489ef3e620096e286b [0,1,0,1,0,0|2,0,0]=4 23754 B13R1.45 C[C@H](OCC(=O)N)C1CCCCC1 1017e95b658153381cf890b7a34d5091 [0,1,0,1,0,0|2,0,0]=4 23755 B13R1.45 C[C@H](OCC(=O)O)C1CCCCC1 5959fa3b7139a442f9f06b44d20ccef5 [0,1,0,1,0,0|1,0,0]=3 23756 B13R1.45 C[C@H](OCC(=O)O)C1CCOCC1 a227181d128d03cb26b74bd949464866 [0,1,0,1,0,0|2,0,0]=4 23757 B13R1.141 CCCN1CCC(CC1C(=O)O)O 33b8a724865b6a806c4bd33920c59e93 [0,1,0,1,0,0|1,0,0]=3 23758 B13R1.141 CCCN1CCN(CC1C(=O)O)C 2d456b1f097d3b2e63fc8d9bd20d420e [0,1,0,1,0,0|2,0,0]=4 23759 B13R1.141 CCCN1CCN(C[C@H]1C(=O)O)C 174d3b11f6c84451c76b0336e13d77de [0,1,0,1,0,0|2,0,0]=4 23760 B13R1.141 CCCN1CC[C@H](C[C@@H]1C(=O)O)C 35b434cffb1d6c13c109033eab8cf520 [0,1,0,1,0,0|1,0,0]=3 23761 B13R1.141 CCCN1CC[C@H](C[C@H]1C(=O)O)C 32fa3c17e5bc97f24f25e9458761f500 [0,1,0,1,0,0|1,0,0]=3 23762 B13R1.141 CCO[C@@H]1CCN(C[C@H]1C(=O)O)C 2276f954a96da5aaf443012cacfbbfb2 [0,1,0,1,0,0|2,0,0]=4 23763 B13R1.141 COCN1CCC(CC1C(=O)O)O fe59bc1cca60e71d3e1aa524e0638b8b [0,1,0,1,0,0|2,0,0]=4 23764 B13R1.141 COCN1CC[C@H](C[C@@H]1C(=O)O)C aae811f51257ffd50ea7894519c65fda [0,1,0,1,0,0|2,0,0]=4 23765 B13R1.141 COCN1CC[C@H](C[C@H]1C(=O)O)C 8fc7bffca8f2838ec0f40b6df0c3eae7 [0,1,0,1,0,0|2,0,0]=4 23766 B13R1.141 CSCN1CCC(CC1C(=O)O)O 54e924c9ac8d6e418c9749bd0140cefe [0,1,0,1,0,0|2,0,0]=4 23767 B13R1.141 CSCN1CC[C@H](C[C@@H]1C(=O)O)C ef4da67298185d45f08b8e2d04b2d9e4 [0,1,0,1,0,0|2,0,0]=4 23768 B13R1.141 CSCN1CC[C@H](C[C@H]1C(=O)O)C 71e0e0e7d6e217abf54d3e71c6449da8 [0,1,0,1,0,0|2,0,0]=4 23769 B13R1.141 C[C@@H]1CCN([C@@H](C1)C(=O)O)CCF 4929bca5cd42db092e09a7f467f9fb0d [0,1,0,1,0,0|2,0,0]=4 23770 B13R1.141 C[C@@H]1CCN([C@@H](C1)C(=O)O)CCO 0e532be9262f2677fba08cb5796f28cb [0,1,0,1,0,0|2,0,0]=4 23771 B13R1.141 C[C@@H]1CCN([C@@H](C1)C(=O)O)CCS 7721393efee6e351f3d410a75c2787e0 [0,1,0,1,0,0|2,0,0]=4 23772 B13R1.141 C[C@@H]1CCN([C@H](C1)C(=O)O)CCF c19485a16f39d281ad09d3cd11827c86 [0,1,0,1,0,0|2,0,0]=4 23773 B13R1.141 C[C@@H]1CCN([C@H](C1)C(=O)O)CCO c6f01995d3847be5e7b69a5a67f438a5 [0,1,0,1,0,0|2,0,0]=4 23774 B13R1.141 C[C@@H]1CCN([C@H](C1)C(=O)O)CCS 912d338d0f603efefa14746afa24b598 [0,1,0,1,0,0|2,0,0]=4 23775 B13R1.141 O=C(O)C1CC(CCN1CCF)O 077c2b9ce36536a1f6fdbc5ace3cb4b7 [0,1,0,1,0,0|2,0,0]=4 23776 B13R1.141 O=C(O)C1CC(CCN1CCO)O 76472d00679472b6f8d24551d5f4ba01 [0,1,0,1,0,0|2,0,0]=4 23777 B13R1.141 O=C(O)C1CC(CCN1CCS)O 906cc07e895324e8b69896d12c2e4ec4 [0,1,0,1,0,0|2,0,0]=4 23778 B13R1.168 CC(OCC(=O)O)[C@@H]1CCCN1C eb6187fc6c8fd830edd4b995a6e4f538 [0,1,0,1,0,0|2,0,0]=4 23779 B13R1.168 CN(CCC(=O)O)[C@@H]1CCC[C@@H]1O e515e89dc46db3fdff7e66c742c8a13a [0,1,0,1,0,0|2,0,0]=4 23780 B13R1.168 CN(CCC(=O)O)[C@@H]1CCC[C@H]1O 11325c5f6e851423157e761ab2667fa9 [0,1,0,1,0,0|2,0,0]=4 23781 B13R1.168 CN(CCC(=O)O)[C@H]1CCC[C@@H]1O 20d1aeaacddefa9b34e4d4d072944ec0 [0,1,0,1,0,0|2,0,0]=4 23782 B13R1.168 CN(CCC(=O)O)[C@H]1CCC[C@H]1O dcef021dcb512e93e1790028fdbd1c5f [0,1,0,1,0,0|2,0,0]=4 23783 B13R1.168 C[C@H](OCC(=O)O)[C@@H]1CCCN1C dbaa088bca915e82a0f643762285f9bf [0,1,0,1,0,0|2,0,0]=4 23784 B13R1.199 CC(CCC(=O)O)OCC1CC1C 375d34ff38f5cf88fe4c1546a672fd49 [0,1,0,1,0,0|1,0,0]=3 23785 B13R1.199 CC(CCC(=O)O)OC[C@@H]1C[C@@H]1C 7c9ac4caccc8387dca655d576a155d65 [0,1,0,1,0,0|1,0,0]=3 23786 B13R1.199 CC(CCC(=O)O)OC[C@@H]1C[C@@H]1F 6ce74a80b76db5bc323400cdb3c947b1 [0,1,0,1,0,0|2,0,0]=4 23787 B13R1.199 CC(CCC(=O)O)OC[C@@H]1C[C@H]1C a34f4f9db14bba8742ba137cea79a9f7 [0,1,0,1,0,0|1,0,0]=3 23788 B13R1.199 CC(CCC(=O)O)OC[C@@H]1C[C@H]1F bc4ad5253be5daee168ba6a897ea8e17 [0,1,0,1,0,0|2,0,0]=4 23789 B13R1.199 CC(CCC(=O)O)OC[C@H]1C[C@@H]1C 25eef29f9e04f3fef8453dfd660abbbe [0,1,0,1,0,0|1,0,0]=3 23790 B13R1.199 CC(CCC(=O)O)OC[C@H]1C[C@@H]1F 7623c363318a7197195cb4cb44abd248 [0,1,0,1,0,0|2,0,0]=4 23791 B13R1.199 CC(CCC(=O)O)OC[C@H]1C[C@H]1F 1a29cf6cdb1b59d6018e511f44673dc7 [0,1,0,1,0,0|2,0,0]=4 23792 B13R1.199 CC1CC1NCC(=O)CCC(=O)O 5c01da0e35bbb625c71aa1c1765df2e1 [0,1,0,1,0,0|1,0,1]=4 23793 B13R1.240 CCCC1CCN(C1)CCC(=O)C 33f58597b31561a2ed14954d2f9f8d72 [0,1,0,1,0,0|2,0,0]=4 23794 B13R1.240 CCCC1CCN(C1)CCC(=O)N 6e23bd44597b1eaf815350028f3aae6b [0,1,0,1,0,0|2,0,0]=4 23795 B13R1.240 CCCC1CCN(C1)CCC(=O)O ee652b74b8bf41d8c08fcc32673403f0 [0,1,0,1,0,0|1,0,0]=3 23796 B13R1.240 CCCN1CCC(C1)NCC(=O)O 5e6f92ffc95af62ee495c295201cedeb [0,1,0,1,0,0|2,0,0]=4 23797 B13R1.240 CCO[C@@H]1CCN(C1)CCC(=O)O cec364c0165289c06ceed96ea2e2a318 [0,1,0,1,0,0|2,0,0]=4 23798 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)O 36aa61647cc8d09b4c0dc29356b780ca [0,1,0,1,0,0|2,0,0]=4 23799 B13R1.240 COCC1CCN(C1)CCC(=O)O e781296b5f1fd10120f6c61d17d722e5 [0,1,0,1,0,0|2,0,0]=4 23800 B13R1.240 COC[C@@H]1CCN(C1)CCC(=O)O f18a3c0262d5df83fe2dade11a0b370f [0,1,0,1,0,0|2,0,0]=4 23801 B13R1.240 COC[C@H]1CCN(C1)CCC(=O)O bca68d1d08c680f8524b0384a2961564 [0,1,0,1,0,0|2,0,0]=4 23802 B13R1.240 O=C(O)CCN1CCC(C1)CCO ed95cd75c3b8a5a96d7b9026701fc839 [0,1,0,1,0,0|2,0,0]=4 23803 B13R1.277 CC(CCC(=O)O)NC1CCC1F 00be8ea4ec3e0b40949f5fd59c0836fd [0,1,0,1,0,0|2,0,0]=4 23804 B13R1.277 CC(CCC(=O)O)NC1CCC1O 5c8585a4b5f8ec3e1b3f69c6dcb8d4ea [0,1,0,1,0,0|2,0,0]=4 23805 B13R1.277 CC(CCC(=O)O)N[C@@H]1CC[C@@H]1O c737de8c407ee73638ab3a550bb2b2ae [0,1,0,1,0,0|2,0,0]=4 23806 B13R1.277 CC(CCC(=O)O)N[C@@H]1CC[C@H]1C fe71214686cf0924aa2cbd8cfcc1f754 [0,1,0,1,0,0|1,0,0]=3 23807 B13R1.277 CC(CCC(=O)O)N[C@@H]1CC[C@H]1O 4081adbbb776737b41ce3b6c0ae7ab91 [0,1,0,1,0,0|2,0,0]=4 23808 B13R1.277 CC(CCC(=O)O)N[C@H]1CC[C@@H]1O 48fd035636f5c842e7bb4c4a39a12a15 [0,1,0,1,0,0|2,0,0]=4 23809 B13R1.277 CC(CCC(=O)O)N[C@H]1CC[C@H]1C 6809e8bb32ef3c12c13a65a582e2f511 [0,1,0,1,0,0|1,0,0]=3 23810 B13R1.277 CC(CCC(=O)O)N[C@H]1CC[C@H]1O 04ee67b5894dea3a100419be44808d7f [0,1,0,1,0,0|2,0,0]=4 23811 B13R1.277 CC(CCC(=O)O)OC1COC1C a29fe1fb99077bf9945e5762331c6a0d [0,1,0,1,0,0|2,0,0]=4 23812 B13R1.344 CC(=O)CCN(C)CC1CCCC1 2fb98af620e2327e782b39d983c1d90c [0,1,0,1,0,0|2,0,0]=4 23813 B13R1.344 CC(CC1CCCC1)NCC(=O)N d0739f888db837657f64fa393784ea7b [0,1,0,1,0,0|2,0,0]=4 23814 B13R1.344 CC(CC1CCCC1)NCC(=O)O c31739a93e62b93ebf697d465536777d [0,1,0,1,0,0|1,0,0]=3 23815 B13R1.344 CC(CCC(=O)O)NC1CCOC1 cb4171f28667e27b4faf532cbea44741 [0,1,0,1,0,0|2,0,0]=4 23816 B13R1.344 CC(CCC(=O)O)NC1CCSC1 a45c50613883ef71e308670745304168 [0,1,0,1,0,0|2,0,0]=4 23817 B13R1.344 CC(CCC(=O)O)N[C@@H]1CCOC1 327ca2d395ebc1c5203ba103a4a5118f [0,1,0,1,0,0|2,0,0]=4 23818 B13R1.344 CC(CCC(=O)O)N[C@H]1CCOC1 aa0a89ad734c476cbbacf4b0472acc5c [0,1,0,1,0,0|2,0,0]=4 23819 B13R1.344 CC(CCC(=O)O)OC1CCCC1 e126d25eb8862c0ec285dcc9ee37f639 [0,1,0,1,0,0|1,0,0]=3 23820 B13R1.344 CC(CCC(=O)O)OC1CCCO1 edd1c3b5bb90ec94035ad9e18779fc3a [0,1,0,1,0,0|2,0,0]=4 23821 B13R1.344 CC(CN1CCCC1)NCC(=O)O a5b09c88599b4cfce1d1a363099e0017 [0,1,0,1,0,0|2,0,0]=4 23822 B13R1.344 CC(CN1CCCC1)OCC(=O)O 2d81d17cfa8cb708b7b02c4788bd6715 [0,1,0,1,0,0|2,0,0]=4 23823 B13R1.344 CN(CCC(=O)N)CC1CCCC1 3c06787d7b08829d757599b2aae28820 [0,1,0,1,0,0|2,0,0]=4 23824 B13R1.344 CN(CCC(=O)O)CC1CCCC1 41ac1775b664cd04144b1e899f04fd3d [0,1,0,1,0,0|1,0,0]=3 23825 B13R1.344 CN(CCC(=O)O)CC1CCCO1 538da79a86f117b424a1ad5eec2dbcf2 [0,1,0,1,0,0|2,0,0]=4 23826 B13R1.344 CN(CCC(=O)O)CC1CCOC1 d5c3cedd6944a4ef115f6c02fd01fb2c [0,1,0,1,0,0|2,0,0]=4 23827 B13R1.344 C[C@@H](CN1CCCC1)OCC(=O)O 18a355c809ba81ae648463728cb1045e [0,1,0,1,0,0|2,0,0]=4 23828 B13R1.344 C[C@H](CN1CCCC1)OCC(=O)O 317fb511c92295c57ed34ee2860263b5 [0,1,0,1,0,0|2,0,0]=4 23829 B13R1.564 CC1CC(N(C1)CCCF)C(=O)O c97fe70186f1eadbb604c339e1e8d65c [0,1,0,1,0,0|2,0,0]=4 23830 B13R1.564 CC1CC(N(C1)CCCO)C(=O)O edec9fe5fcf6fd0d848399167e67d768 [0,1,0,1,0,0|2,0,0]=4 23831 B13R1.564 CC1CC(N(C1)CCCS)C(=O)O ef4fd130f95baa444609003a7de50dd8 [0,1,0,1,0,0|2,0,0]=4 23832 B13R1.564 CCCCN1CC(=O)C[C@@H]1C(=O)O 54043ea46441e9b347f4d6a57a60f28d [0,1,0,1,0,0|1,0,1]=4 23833 B13R1.564 CCCCN1CC(=O)C[C@H]1C(=O)O 30597bbcc074c48bc32d33a22ff70352 [0,1,0,1,0,0|1,0,1]=4 23834 B13R1.564 CCCCN1CC(CC1C(=O)N)O 9e1ec224569a21904ca357c7432025f4 [0,1,0,1,0,0|2,0,0]=4 23835 B13R1.564 CCCCN1CC(CC1C(=O)O)C 3d7e8f12a88093e3f3679872663698ca [0,1,0,1,0,0|1,0,0]=3 23836 B13R1.564 CCCCN1CC(CC1C(=O)O)F 6e21558c00accc6a569f44b362551b6c [0,1,0,1,0,0|1,0,0]=3 23837 B13R1.564 CCCCN1CC(CC1C(=O)O)O 5cd89e68415fb94d0260f58d34a58704 [0,1,0,1,0,0|1,0,0]=3 23838 B13R1.564 CCCCN1C[C@@H](C[C@@H]1C(=O)O)F 03a50e6e78738330f4fbee07b3a9e1e3 [0,1,0,1,0,0|1,0,0]=3 23839 B13R1.564 CCCCN1C[C@@H](C[C@@H]1C(=O)O)O 27dfb70b35a5357b9101a88740ce8bbf [0,1,0,1,0,0|1,0,0]=3 23840 B13R1.564 CCCCN1C[C@@H](C[C@H]1C(=O)N)O e05f8ccc59ffb988072be85297d4da21 [0,1,0,1,0,0|2,0,0]=4 23841 B13R1.564 CCCCN1C[C@@H](C[C@H]1C(=O)O)F 936b80def49786a6ab7249dbb2653ec0 [0,1,0,1,0,0|1,0,0]=3 23842 B13R1.564 CCCCN1C[C@@H](C[C@H]1C(=O)O)O 319e70815d9f2be0a81491d1d444dd3d [0,1,0,1,0,0|1,0,0]=3 23843 B13R1.564 CCCCN1C[C@H](C[C@@H]1C(=O)O)F ee429fd4fe0e32bd6381dadc42c6c2f1 [0,1,0,1,0,0|1,0,0]=3 23844 B13R1.564 CCCCN1C[C@H](C[C@@H]1C(=O)O)O 4bece6f62985d1a09db441c6e97651da [0,1,0,1,0,0|1,0,0]=3 23845 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)N)F 2b06e369348130a519101d207b224463 [0,1,0,1,0,0|2,0,0]=4 23846 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)O)C 82870230a79b5b175a0da17dba8616f1 [0,1,0,1,0,0|1,0,0]=3 23847 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)O)F aeb31c6c0936659b2796dea5cfaed1fd [0,1,0,1,0,0|1,0,0]=3 23848 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)O)O 7bc564298e825dc691be380f21e15066 [0,1,0,1,0,0|1,0,0]=3 23849 B13R1.564 CCCCN1C[C@H](C[C@H]1C(=O)O)S 82b7a2991cfe05e8bc9582c75e214247 [0,1,0,1,0,0|1,0,0]=3 23850 B13R1.564 CCOCN1CC(CC1C(=O)O)C 44da3e9e0fafaaf2861974ac18d3ae04 [0,1,0,1,0,0|2,0,0]=4 23851 B13R1.564 CCOCN1CC(CC1C(=O)O)F b4fc0bef0affa274039d312d14e7da64 [0,1,0,1,0,0|2,0,0]=4 23852 B13R1.564 CCOCN1CC(CC1C(=O)O)O ee2119862ca7022a98db94b6227f0e82 [0,1,0,1,0,0|2,0,0]=4 23853 B13R1.564 CCOCN1C[C@@H](C[C@@H]1C(=O)O)F 11ca4faf75b77eba58a5d82f05ca65f5 [0,1,0,1,0,0|2,0,0]=4 23854 B13R1.564 CCOCN1C[C@@H](C[C@@H]1C(=O)O)O 582f1303800a64b88c52d671093a84fc [0,1,0,1,0,0|2,0,0]=4 23855 B13R1.564 CCOCN1C[C@@H](C[C@H]1C(=O)O)F 9c8dc522fa84f602485062d964186842 [0,1,0,1,0,0|2,0,0]=4 23856 B13R1.564 CCOCN1C[C@@H](C[C@H]1C(=O)O)O 2771b959ba3c23daeca4ed63447e1fe1 [0,1,0,1,0,0|2,0,0]=4 23857 B13R1.564 CCOCN1C[C@H](C[C@@H]1C(=O)O)F 5cdb60bf4aa48cdb6c52d54e8faa27d7 [0,1,0,1,0,0|2,0,0]=4 23858 B13R1.564 CCOCN1C[C@H](C[C@@H]1C(=O)O)O ce47cc45fce9953c891cbecb6c37973d [0,1,0,1,0,0|2,0,0]=4 23859 B13R1.564 CCOCN1C[C@H](C[C@H]1C(=O)O)C bc9754250bb5f2444c6f4f5b0b846080 [0,1,0,1,0,0|2,0,0]=4 23860 B13R1.564 CCOCN1C[C@H](C[C@H]1C(=O)O)F 1dca526ff32793977c1ad7a3865148c5 [0,1,0,1,0,0|2,0,0]=4 23861 B13R1.564 CCOCN1C[C@H](C[C@H]1C(=O)O)O b3ae83cbd29c44ad54abc6152534fc5f [0,1,0,1,0,0|2,0,0]=4 23862 B13R1.564 CCOCN1C[C@H](C[C@H]1C(=O)O)S c827db5efb8d95b77859313d3c85cb2a [0,1,0,1,0,0|2,0,0]=4 23863 B13R1.564 COCCN1CC(CC1C(=O)O)C 42f2f5376c883aeb8e3b880923eb0ced [0,1,0,1,0,0|2,0,0]=4 23864 B13R1.564 COCCN1CC(CC1C(=O)O)F bb293311b96db96d065e9648d74f58f2 [0,1,0,1,0,0|2,0,0]=4 23865 B13R1.564 COCCN1CC(CC1C(=O)O)O 3a688fcd5802053ca8d895e9243ac0c8 [0,1,0,1,0,0|2,0,0]=4 23866 B13R1.564 COCCN1C[C@@H](C[C@@H]1C(=O)O)F 6bf8eac683493c9a896ce614271220c5 [0,1,0,1,0,0|2,0,0]=4 23867 B13R1.564 COCCN1C[C@@H](C[C@@H]1C(=O)O)O 1b7d6706cbd84e399b815b2137d00728 [0,1,0,1,0,0|2,0,0]=4 23868 B13R1.564 COCCN1C[C@@H](C[C@H]1C(=O)O)F a1dd8db73e72187aaf34d095e9d5f545 [0,1,0,1,0,0|2,0,0]=4 23869 B13R1.564 COCCN1C[C@@H](C[C@H]1C(=O)O)O 1b0e34408d9231357de0685e3871295c [0,1,0,1,0,0|2,0,0]=4 23870 B13R1.564 COCCN1C[C@H](C[C@@H]1C(=O)O)F 540be44afda39b55e79fef78567a416a [0,1,0,1,0,0|2,0,0]=4 23871 B13R1.564 COCCN1C[C@H](C[C@@H]1C(=O)O)O f5b479261dd9ca6f15e77cd8b9a73326 [0,1,0,1,0,0|2,0,0]=4 23872 B13R1.564 COCCN1C[C@H](C[C@H]1C(=O)O)C 87662cf9a9b7be384d623cb946fa7f95 [0,1,0,1,0,0|2,0,0]=4 23873 B13R1.564 COCCN1C[C@H](C[C@H]1C(=O)O)F b494d5f013751e5b85c13e8db23ff969 [0,1,0,1,0,0|2,0,0]=4 23874 B13R1.564 COCCN1C[C@H](C[C@H]1C(=O)O)O c346d50b7a859607a510a035e566f67c [0,1,0,1,0,0|2,0,0]=4 23875 B13R1.564 COCCN1C[C@H](C[C@H]1C(=O)O)S 26edf8ab854b18b52a2613411e3b60a9 [0,1,0,1,0,0|2,0,0]=4 23876 B13R1.564 CSCCN1CC(CC1C(=O)O)C d1bab011e8bfc71cff7acf1195d29419 [0,1,0,1,0,0|2,0,0]=4 23877 B13R1.564 CSCCN1CC(CC1C(=O)O)F a959b708992ddd239456e37573b18138 [0,1,0,1,0,0|2,0,0]=4 23878 B13R1.564 CSCCN1CC(CC1C(=O)O)O e8b7494e31b4f00525b9dbfa480c5005 [0,1,0,1,0,0|2,0,0]=4 23879 B13R1.564 CSCCN1C[C@@H](C[C@@H]1C(=O)O)F 1a0604e8f8292cac33af5adaacac27c7 [0,1,0,1,0,0|2,0,0]=4 23880 B13R1.564 CSCCN1C[C@@H](C[C@@H]1C(=O)O)O d05e0394bea5148d486145d8684e630e [0,1,0,1,0,0|2,0,0]=4 23881 B13R1.564 CSCCN1C[C@@H](C[C@H]1C(=O)O)F ae9f8ebc8ead0da3adef06f64c97ada3 [0,1,0,1,0,0|2,0,0]=4 23882 B13R1.564 CSCCN1C[C@@H](C[C@H]1C(=O)O)O 4401bd6561bede96ff7cef37eb0d602a [0,1,0,1,0,0|2,0,0]=4 23883 B13R1.564 CSCCN1C[C@H](C[C@@H]1C(=O)O)F bac393da3a0e53899645b8b4e953ed66 [0,1,0,1,0,0|2,0,0]=4 23884 B13R1.564 CSCCN1C[C@H](C[C@@H]1C(=O)O)O acdc54e57c1643610119b0b5e47fb315 [0,1,0,1,0,0|2,0,0]=4 23885 B13R1.564 CSCCN1C[C@H](C[C@H]1C(=O)O)C f83ea7c22ea53652ed454834042c554a [0,1,0,1,0,0|2,0,0]=4 23886 B13R1.564 CSCCN1C[C@H](C[C@H]1C(=O)O)F 52bdd186214214cc46895d1c1b3203e3 [0,1,0,1,0,0|2,0,0]=4 23887 B13R1.564 CSCCN1C[C@H](C[C@H]1C(=O)O)O 70ce430e223aa8d196541e985b0855ca [0,1,0,1,0,0|2,0,0]=4 23888 B13R1.564 CSCCN1C[C@H](C[C@H]1C(=O)O)S c1621da58b43ef15d10d9487083b66bd [0,1,0,1,0,0|2,0,0]=4 23889 B13R1.564 C[C@H]1C[C@H](N(C1)CCCF)C(=O)O a6c46dfa4df7e1d5a7527b5ae02ce18a [0,1,0,1,0,0|2,0,0]=4 23890 B13R1.564 C[C@H]1C[C@H](N(C1)CCCO)C(=O)O a55311833d405787b273f85148009e56 [0,1,0,1,0,0|2,0,0]=4 23891 B13R1.564 C[C@H]1C[C@H](N(C1)CCCS)C(=O)O be8655cfd3c4753d47781a30c8a4cedc [0,1,0,1,0,0|2,0,0]=4 23892 B13R1.564 O=C(O)C1CC(CN1CCCF)F 3118b48d1de03c91ba579881230cd2c2 [0,1,0,1,0,0|2,0,0]=4 23893 B13R1.564 O=C(O)C1CC(CN1CCCF)O 47f1b9288753efbcd5d7034e28a7fef2 [0,1,0,1,0,0|2,0,0]=4 23894 B13R1.564 O=C(O)C1CC(CN1CCCO)F 948aea0b6b674d7e047f892284cd5106 [0,1,0,1,0,0|2,0,0]=4 23895 B13R1.564 O=C(O)C1CC(CN1CCCO)O 8f84301cd6c46443e405fb35650d747c [0,1,0,1,0,0|2,0,0]=4 23896 B13R1.564 O=C(O)C1CC(CN1CCCS)O db9308d14fde30d213f15353a733c619 [0,1,0,1,0,0|2,0,0]=4 23897 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCF)F b74233c3812c6b17503badf898a59961 [0,1,0,1,0,0|2,0,0]=4 23898 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCF)O 7c22f00c78c3423658737f7258494712 [0,1,0,1,0,0|2,0,0]=4 23899 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCF)S 2322f37c5bf814825dd62b6e72242c65 [0,1,0,1,0,0|2,0,0]=4 23900 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCO)F aa4d7c1e6fd50dee6ca5c4f2d30e7395 [0,1,0,1,0,0|2,0,0]=4 23901 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCO)O e7abd83e737c92f06b2bb84b28efe86d [0,1,0,1,0,0|2,0,0]=4 23902 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCO)S 597d276d855621b33a00b772be995294 [0,1,0,1,0,0|2,0,0]=4 23903 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCS)O d95886c57a2797a497ea7a832bef00df [0,1,0,1,0,0|2,0,0]=4 23904 B13R1.564 O=C(O)[C@@H]1C[C@@H](CN1CCCS)S 11faee51b0be52e82d194ae5ab3fd575 [0,1,0,1,0,0|2,0,0]=4 23905 B13R1.564 O=C(O)[C@@H]1C[C@H](CN1CCCF)F f7d693074a2e162442d2a52dec91ace9 [0,1,0,1,0,0|2,0,0]=4 23906 B13R1.564 O=C(O)[C@@H]1C[C@H](CN1CCCF)O 28b3f163c75d4f5e4cc3f349f2093d28 [0,1,0,1,0,0|2,0,0]=4 23907 B13R1.564 O=C(O)[C@@H]1C[C@H](CN1CCCO)F 6f301df90a37198a8b55521634aa05ad [0,1,0,1,0,0|2,0,0]=4 23908 B13R1.564 O=C(O)[C@@H]1C[C@H](CN1CCCO)O 0fbbc9ac7ab2f38f843cd85de992ad5a [0,1,0,1,0,0|2,0,0]=4 23909 B13R1.564 O=C(O)[C@@H]1C[C@H](CN1CCCS)O aea1e3acdf5b5ef2f0945be41537afe2 [0,1,0,1,0,0|2,0,0]=4 23910 B13R1.564 O=C(O)[C@H]1C[C@@H](CN1CCCF)F 46436ed1cafc08a09d6303e91851058f [0,1,0,1,0,0|2,0,0]=4 23911 B13R1.564 O=C(O)[C@H]1C[C@@H](CN1CCCF)O b63f3cdd6984e9d966f64c209af09899 [0,1,0,1,0,0|2,0,0]=4 23912 B13R1.564 O=C(O)[C@H]1C[C@@H](CN1CCCO)F aed32908ea501171cb0c79de10ebd01c [0,1,0,1,0,0|2,0,0]=4 23913 B13R1.564 O=C(O)[C@H]1C[C@@H](CN1CCCO)O b52260dcd94b386b1c5c283d9572c7fb [0,1,0,1,0,0|2,0,0]=4 23914 B13R1.564 O=C(O)[C@H]1C[C@@H](CN1CCCS)O a0c2765f102528ceed0e92b48611b0e2 [0,1,0,1,0,0|2,0,0]=4 23915 B13R1.564 O=C(O)[C@H]1C[C@H](CN1CCCF)F c7609d2c80f75c0f9401867bffd54ea0 [0,1,0,1,0,0|2,0,0]=4 23916 B13R1.564 O=C(O)[C@H]1C[C@H](CN1CCCF)O 5354a1cf59d5995aba3dc9ba1e37f211 [0,1,0,1,0,0|2,0,0]=4 23917 B13R1.564 O=C(O)[C@H]1C[C@H](CN1CCCO)F 8e7395631c4b4d246fd6b10a4589955b [0,1,0,1,0,0|2,0,0]=4 23918 B13R1.564 O=C(O)[C@H]1C[C@H](CN1CCCO)O 826b37f3ee39aac82c8341c1876e05d3 [0,1,0,1,0,0|2,0,0]=4 23919 B13R1.564 O=C(O)[C@H]1C[C@H](CN1CCCS)O 305d71bb9cc074cefcd34aa5e472f324 [0,1,0,1,0,0|2,0,0]=4 23920 B13R1.628 CC(CCC(=O)O)N[C@@H]1C[C@H]1CO 1552801127d691cda978d472ee39f1a5 [0,1,0,1,0,0|2,0,0]=4 23921 B13R1.628 CC(CCC(=O)O)N[C@H]1C[C@@H]1CO 0082b4d6db632f2ecd1dbc9a02d09058 [0,1,0,1,0,0|2,0,0]=4 23922 B13R1.628 CC(CCC(=O)O)N[C@H]1C[C@H]1CO c0d339c48cf4f294946a3d5fbdd12ed4 [0,1,0,1,0,0|2,0,0]=4 23923 B13R1.628 CO[C@H]1C[C@H]1NC(C)CCC(=O)O 52bf0bdb0344210f02f89c298c5adac0 [0,1,0,1,0,0|2,0,0]=4 23924 B13R1.649 CCC1CCN1C(C)CCC(=O)O 9a47609ad71657456656c3ecd999bd90 [0,1,0,1,0,0|1,0,0]=3 23925 B13R1.1054 CC(=O)CCN(C)CCC1CCC1 f3458b250e85fe04ec1431f6e083e85d [0,1,0,1,0,0|2,0,0]=4 23926 B13R1.1054 CC(CCC(=O)O)NCC1CCC1 573776d50aa34cc987765ec346bccc1e [0,1,0,1,0,0|1,0,0]=3 23927 B13R1.1054 CC(CCC(=O)O)NCC1CCO1 096c1e7340354886bef231b149a8eb7a [0,1,0,1,0,0|2,0,0]=4 23928 B13R1.1054 CC(CCC(=O)O)NCC1COC1 eec3b431f554d0a504f13e458ea350c0 [0,1,0,1,0,0|2,0,0]=4 23929 B13R1.1054 CC(CCC(=O)O)NC[C@@H]1CCO1 872045e92978a9b8ff0e656bfe63dda4 [0,1,0,1,0,0|2,0,0]=4 23930 B13R1.1054 CC(CCC(=O)O)NC[C@H]1CCO1 67638519ace3c15f7cf8ea1dd77edbdd [0,1,0,1,0,0|2,0,0]=4 23931 B13R1.1054 CC(CCC(=O)O)OCC1CCC1 035148a93d07be888d451c06124523e5 [0,1,0,1,0,0|1,0,0]=3 23932 B13R1.1054 CC(CCC(=O)O)OCC1CCO1 944089366f89162561b6d35f0fe54fa4 [0,1,0,1,0,0|2,0,0]=4 23933 B13R1.1054 CC(CCC(=O)O)OCC1COC1 403691907e2b8d4144d8a998369fe68f [0,1,0,1,0,0|2,0,0]=4 23934 B13R1.1054 CC(CCC(=O)O)OCC1CSC1 89f03c5dd5e17b60f32329d7c1c1a3df [0,1,0,1,0,0|2,0,0]=4 23935 B13R1.1054 CC(CCC(=O)O)OC[C@@H]1CCO1 75cd3afea5590d1764b3e595aee4da56 [0,1,0,1,0,0|2,0,0]=4 23936 B13R1.1054 CC(CCC(=O)O)OC[C@H]1CCO1 aa22f112cf2f9d1e4b609d7951a25069 [0,1,0,1,0,0|2,0,0]=4 23937 B13R1.1054 CN(CCC(=O)N)CCC1CCC1 2bb44fcddd649308cefa98f519fd5b12 [0,1,0,1,0,0|2,0,0]=4 23938 B13R1.1054 CN(CCC(=O)O)CCC1CCC1 07dd6e2f6478c9d804de0435e49e63c5 [0,1,0,1,0,0|1,0,0]=3 23939 B13R1.1054 CN(CCC(=O)O)CCC1CCO1 6135f1b9f7242fe8fb8164e942d85a6f [0,1,0,1,0,0|2,0,0]=4 23940 B13R1.1054 CN(CCC(=O)O)CCC1COC1 5eb2e70050066bb85b523564ec69cc26 [0,1,0,1,0,0|2,0,0]=4 23941 B13R1.1054 C[C@@H](CCC(=O)O)NCC1CCC1 ca5e8808410429d3fa60ae740761cb9c [0,1,0,1,0,0|1,0,0]=3 23942 B13R1.1054 C[C@@H](CCC(=O)O)NCC1CCO1 9ba610518c6df0aeaca2230738e5b8f8 [0,1,0,1,0,0|2,0,0]=4 23943 B13R1.1054 C[C@@H](CCC(=O)O)NCC1COC1 2f63a360e203d61ffe595fc69e2db85f [0,1,0,1,0,0|2,0,0]=4 23944 B13R1.1054 C[C@@H](CCC(=O)O)NC[C@H]1CCO1 24c6658c62ca9ea67467c99d35a8d2b3 [0,1,0,1,0,0|2,0,0]=4 23945 B13R1.1054 O=C(O)CCC(=O)CNC1CCC1 86844af79339240f11afd57d880d1f07 [0,1,0,1,0,0|1,0,1]=4 23946 B13R1.1054 O=C(O)CCC(=O)COC1CCC1 737511271035546527f81ea393656be6 [0,1,0,1,0,0|1,0,1]=4 23947 B13R1.1055 CC(CCC(=O)O)NCCC1CC1 1ea52d33b342dc3f31c545fa298bb879 [0,1,0,1,0,0|1,0,0]=3 23948 B13R1.1055 CC(CCC(=O)O)NCCN1CC1 6b8e3959b1e0e5397ca9547a919b3f66 [0,1,0,1,0,0|2,0,0]=4 23949 B13R1.1055 CC(CCC(=O)O)OCCC1CC1 c882938a47ec5a68b2344b151bafa0d2 [0,1,0,1,0,0|1,0,0]=3 23950 B13R1.1055 CC(CCC(=O)O)OCCN1CC1 2961f30167b03b7ce35d53d90e07bccf [0,1,0,1,0,0|2,0,0]=4 23951 B13R1.1055 CN(CCNC1CC1)CCC(=O)O d9ef78745a1350498cb41d0ec5cdaf54 [0,1,0,1,0,0|2,0,0]=4 23952 B13R1.1055 CN(CCOC1CC1)CCC(=O)O 4d7166c7ca1ddc7fe011128ba0867f00 [0,1,0,1,0,0|2,0,0]=4 23953 B13R1.1055 C[C@@H](CCC(=O)O)NCCC1CC1 8e67bfc7ba368fb7d49112181f851481 [0,1,0,1,0,0|1,0,0]=3 23954 B13R1.1055 O=C(O)CCC(=O)CNCC1CC1 a8dc806a7bfef8a3dfcbe0440521be60 [0,1,0,1,0,0|1,0,1]=4 23955 B13R1.1055 O=C(O)CCC(=O)COCC1CC1 2aab58ab567b42869fba593b1dd23564 [0,1,0,1,0,0|1,0,1]=4 23956 B13R1.2135 CC1CCCC(N1CC(=O)O)CO 681468c8660f186edb9c7892afa45afa [0,1,0,1,0,0|2,0,0]=4 23957 B13R1.2919 CCCCCOC(C)C1CC(=O)C1 c1210593285c3c06ea5af0a84b650b52 [0,1,0,1,0,0|2,0,0]=4 23958 B13R1.2933 CCCCCN1[C@@H](C[C@H]1C(=O)O)C 2a8766d29445e370e5a2a89e4608a3a9 [0,1,0,1,0,0|1,0,0]=3 23959 B13R1.2933 CCCCCN1[C@H](C[C@H]1C(=O)O)C 96c6a57aee6d7f0a2e5acf5711283ab8 [0,1,0,1,0,0|1,0,0]=3 23960 B13R1.2933 CCOCCN1[C@@H](C[C@H]1C(=O)O)C 33b5365b1fe54e95c99aa0b6e1b1a00c [0,1,0,1,0,0|2,0,0]=4 23961 B13R1.2933 CCOCCN1[C@H](C[C@H]1C(=O)O)C c22ea31be133cd329b8e637c217deee7 [0,1,0,1,0,0|2,0,0]=4 23962 B13R1.2933 CCSCCN1[C@@H](C[C@H]1C(=O)O)C 9b4afd8ac1fe30f024a2e9e91018fa76 [0,1,0,1,0,0|2,0,0]=4 23963 B13R1.2933 CCSCCN1[C@H](C[C@H]1C(=O)O)C e25f3c689db79a8323acf9c4eea001be [0,1,0,1,0,0|2,0,0]=4 23964 B13R1.2933 COCCCN1[C@@H](C[C@H]1C(=O)O)C a4acd18e59bbf89207e456696b70d5e4 [0,1,0,1,0,0|2,0,0]=4 23965 B13R1.2933 COCCCN1[C@H](C[C@H]1C(=O)O)C 82ed83c8f8a12f7bda03366a2b65cf69 [0,1,0,1,0,0|2,0,0]=4 23966 B13R1.2933 CSCCCN1[C@@H](C[C@H]1C(=O)O)C 42670abfc7a269f935494d234b4119b6 [0,1,0,1,0,0|2,0,0]=4 23967 B13R1.2933 CSCCCN1[C@H](C[C@H]1C(=O)O)C f19d52d060cfc73a4894cf9f7d4fe712 [0,1,0,1,0,0|2,0,0]=4 23968 B13R1.2933 C[C@@H]1C[C@H](N1CCCCF)C(=O)O ff0726dbafdd38498df9e59a6d67c40b [0,1,0,1,0,0|2,0,0]=4 23969 B13R1.2933 C[C@@H]1C[C@H](N1CCCCO)C(=O)O b577d6c8bcba10b8b2dc199c62981732 [0,1,0,1,0,0|2,0,0]=4 23970 B13R1.2933 C[C@H]1C[C@H](N1CCCCF)C(=O)O 5128dcb69f622dc91a08fbb27a504c6c [0,1,0,1,0,0|2,0,0]=4 23971 B13R1.2933 C[C@H]1C[C@H](N1CCCCO)C(=O)O 29fee0baeed30f8b5e4456ef4e67bef2 [0,1,0,1,0,0|2,0,0]=4 23972 B13R1.3688 CCCCNCC1(CCC(=O)N1)C 36a250f9fd0c79b0d87eb8b7cac77530 [0,1,0,1,0,0|2,0,0]=4 23973 B13R1.3688 CCCCOCC1(CCC(=O)N1)C e77959a8d25e104f884fed2a69d36b86 [0,1,0,1,0,0|2,0,0]=4 23974 B13R1.8682 CC(=O)NCC1(CCCCCC1)O 05e381ef12f965fa7044b11b7187d7c9 [0,1,0,1,0,0|2,0,0]=4 23975 B13R1.8682 CC1(CCCCCC1)NCC(=O)N a7c150af34f05be0fae79904140ce559 [0,1,0,1,0,0|2,0,0]=4 23976 B13R1.8682 CC1(CCCCCC1)NCC(=O)O 850d4438c80bad5eb001a974942f2361 [0,1,0,1,0,0|1,0,0]=3 23977 B13R1.292 C=C(C)CCCOCC1CC(=O)O1 3f218ad6231d4ce0be0fd7b2a8605c8a [0,1,0,1,0,0|1,0,1]=4 23978 B13R1.292 C=C1CC(C1)CNCCCC(=O)O a5becaebe34e216e501dd5728f12a4fa [0,1,0,1,0,0|1,0,1]=4 23979 B13R1.292 C=C1CC(C1)COCCCC(=O)O f32b07301decf582dc2d560da76ba0be [0,1,0,1,0,0|1,0,1]=4 23980 B13R1.292 CC(=O)CCCCCN1CC(C1)F 0ff80cb0fb4432373b74ecaa367dda4b [0,1,0,1,0,0|2,0,0]=4 23981 B13R1.292 CC(=O)CCCCCN1CC(C1)O f5ef900251991593783b9ca556e4b808 [0,1,0,1,0,0|2,0,0]=4 23982 B13R1.292 CC(=O)CCCCNC1CC(C1)F baafa4902d5544855d78845ad9188344 [0,1,0,1,0,0|2,0,0]=4 23983 B13R1.292 CC(=O)CCCCNC1CC(C1)O 3cd8bb464f561f625d904665af101155 [0,1,0,1,0,0|2,0,0]=4 23984 B13R1.292 CC(=O)CCCCN[C@H]1C[C@@H](C1)F 385f0d680d35909a528b67a9f29ebbdb [0,1,0,1,0,0|2,0,0]=4 23985 B13R1.292 CC(=O)CCCCN[C@H]1C[C@@H](C1)O 7e42e5c3dd858b4a30c5f7c7af2667be [0,1,0,1,0,0|2,0,0]=4 23986 B13R1.292 CC(=O)CCCCN[C@H]1C[C@H](C1)F 663621306394ffbbc8588477d2d83d36 [0,1,0,1,0,0|2,0,0]=4 23987 B13R1.292 CC(=O)CCCCN[C@H]1C[C@H](C1)O 672c1646170ec5f93bdf04f814aeaf82 [0,1,0,1,0,0|2,0,0]=4 23988 B13R1.292 CC(=O)CCCCOC1CC(C1)C 13edfc82136895abfed3f4aa4da6e4d6 [0,1,0,1,0,0|2,0,0]=4 23989 B13R1.292 CC(=O)CCCCOC1CC(C1)F bffb7c658a815b7dad4bc5af4e8f0d1c [0,1,0,1,0,0|2,0,0]=4 23990 B13R1.292 CC(=O)CCCCO[C@H]1C[C@@H](C1)F 44a6e86a6eb179c3dec3aeb72575e982 [0,1,0,1,0,0|2,0,0]=4 23991 B13R1.292 CC(=O)CCCCO[C@H]1C[C@H](C1)F 76c9221b0b1560b454dabfd268d8c30d [0,1,0,1,0,0|2,0,0]=4 23992 B13R1.292 CC(=O)CCCNCC1CC(C1)O 70faabb4714ec30b2890650d17be655c [0,1,0,1,0,0|2,0,0]=4 23993 B13R1.292 CC(=O)CCCNC[C@H]1C[C@@H](C1)O b4e187124b39c821742354fcc897460b [0,1,0,1,0,0|2,0,0]=4 23994 B13R1.292 CC(=O)CCCNC[C@H]1C[C@H](C1)O fd66c8081cf4947801333946df244f1c [0,1,0,1,0,0|2,0,0]=4 23995 B13R1.292 CC(=O)CCCOCC1CC(=O)O1 67daeecec4ba0a57cba293c2a2c24c6f [0,1,0,1,0,0|1,0,1]=4 23996 B13R1.292 CC(=O)CCCOCC1CC(C1)C 4f7d4f215203b11d12205dbea420a57b [0,1,0,1,0,0|2,0,0]=4 23997 B13R1.292 CC(=O)CCCOCC1CC(C1)F 45058f835eac13c7befe8ac06c5a55ed [0,1,0,1,0,0|2,0,0]=4 23998 B13R1.292 CC(=O)CCCOC[C@H]1C[C@@H](C1)C 175861287ccd1502f3cd72f7002deb6a [0,1,0,1,0,0|2,0,0]=4 23999 B13R1.292 CC(=O)CCCOC[C@H]1C[C@H](C1)F f3f3c0454602184789f93e38c9b23a85 [0,1,0,1,0,0|2,0,0]=4 24000 B13R1.292 CC(C)CCCCOC1CC(=O)C1 236c29288bb8fd532a857b620de3149a [0,1,0,1,0,0|2,0,0]=4 24001 B13R1.292 CC(C)CCCNCC1CC(=O)C1 a9b94b77a4f9c5db69f0710e5be49f1b [0,1,0,1,0,0|2,0,0]=4 24002 B13R1.292 CC(C)CCCNCC1CC(=O)N1 11a5da52512be4b897e28cc31c5de5bd [0,1,0,1,0,0|2,0,0]=4 24003 B13R1.292 CC(C)CCCNCC1CC(=O)O1 50e9130b321887fded18006d57e1ec48 [0,1,0,1,0,0|1,0,0]=3 24004 B13R1.292 CC(C)CCCOCC1CC(=O)C1 bc1762e3cea091a9c3467f5bb5ea99e2 [0,1,0,1,0,0|2,0,0]=4 24005 B13R1.292 CC(C)CCCOCC1CC(=O)N1 78cfce35f5ff2979fb73e6f96a7de7eb [0,1,0,1,0,0|2,0,0]=4 24006 B13R1.292 CC(C)CCCOCC1CC(=O)O1 db8899c9de1d820ca477c87acd042738 [0,1,0,1,0,0|1,0,0]=3 24007 B13R1.292 CC(C)CCCOC[C@@H]1CC(=O)N1 71700ddb05d59557f647b8ec0e6c96dd [0,1,0,1,0,0|2,0,0]=4 24008 B13R1.292 CC(C)CCCOC[C@H]1CC(=O)N1 982df7b18c9fa9bf84484ad454e88e34 [0,1,0,1,0,0|2,0,0]=4 24009 B13R1.292 CC(C)OCCNCC1CC(=O)O1 2724ac111ab0fe17b340b123dd218b0a [0,1,0,1,0,0|2,0,0]=4 24010 B13R1.292 CC(C)OCCOCC1CC(=O)O1 c4a5a4580d5f768d3c2ab7b9428e3fec [0,1,0,1,0,0|2,0,0]=4 24011 B13R1.292 CC(C)SCCOCC1CC(=O)O1 b73686d9e347dbeb946a3b7a54929f42 [0,1,0,1,0,0|2,0,0]=4 24012 B13R1.292 CC1CC(C1)CNCCCC(=O)N 653fcacb6aa184fe14c4d2a17ea819ce [0,1,0,1,0,0|2,0,0]=4 24013 B13R1.292 CC1CC(C1)COCCCC(=O)N fe264be3e0cb90e73d1ab37a606e6463 [0,1,0,1,0,0|2,0,0]=4 24014 B13R1.292 CC1CC(C1)COCCCC(=O)O efdd2450ee9d536295bffd6883caf822 [0,1,0,1,0,0|1,0,0]=3 24015 B13R1.292 CC1CC(C1)OCCCCC(=O)N 51013b6dd899de87e3eb243325d898cc [0,1,0,1,0,0|2,0,0]=4 24016 B13R1.292 CC1CC(C1)OCCCCC(=O)O dd43db619970bfa10bf5ccbfa5961532 [0,1,0,1,0,0|1,0,0]=3 24017 B13R1.292 CC1CC(C1)OCCOCC(=O)O 2b3a88e2276ff69463685605ab525a2f [0,1,0,1,0,0|2,0,0]=4 24018 B13R1.292 CN(C)CCCNCC1CC(=O)O1 9835cd47bc4e3819a0a77a71e36d6a22 [0,1,0,1,0,0|2,0,0]=4 24019 B13R1.292 CN(C)CCCOCC1CC(=O)O1 9844b46d9ff4f4076d88953ee965bee9 [0,1,0,1,0,0|2,0,0]=4 24020 B13R1.292 CN1CC(C1)CCNCCC(=O)O 2a372f7efee4c7591ef9d42acfab2473 [0,1,0,1,0,0|2,0,0]=4 24021 B13R1.292 CN1CC(C1)CCOCCC(=O)O 380ca7bd29ea75b2788c059e9c90c9c2 [0,1,0,1,0,0|2,0,0]=4 24022 B13R1.292 CN1CC(C1)CNCCCC(=O)O a81ab0e44627b86352802bcdd204438b [0,1,0,1,0,0|2,0,0]=4 24023 B13R1.292 CN1CC(C1)COCCCC(=O)O d33269045ed8d620618f2382e72967c5 [0,1,0,1,0,0|2,0,0]=4 24024 B13R1.292 CN1CC(C1)NCCCCC(=O)O c2a7ad420c34bc789f0f28c1cfa9d848 [0,1,0,1,0,0|2,0,0]=4 24025 B13R1.292 CS(=O)CCCNCC1CC(=O)O1 0394d772c5abd3ffb442c1863019411b [0,1,0,1,0,0|2,0,0]=4 24026 B13R1.292 C[C@H]1C[C@@H](C1)COCCCC(=O)N a1cad6cfc5848e67b5d8cc965ad48f0d [0,1,0,1,0,0|2,0,0]=4 24027 B13R1.292 C[C@H]1C[C@@H](C1)COCCCC(=O)O 8895e1d5df27b9a91b91226bbed85e0a [0,1,0,1,0,0|1,0,0]=3 24028 B13R1.292 NC(=O)CCCCCN1CC(C1)F 3503ae1e8feb9d81eee9ee173d5d5953 [0,1,0,1,0,0|2,0,0]=4 24029 B13R1.292 NC(=O)CCCCCN1CC(C1)O 4cbe97372160d70e63d8a7bf76b9a923 [0,1,0,1,0,0|2,0,0]=4 24030 B13R1.292 NC(=O)CCCCNC1CC(C1)F 2cecacb6027b7c0d92a4c9ae1b33a2fd [0,1,0,1,0,0|2,0,0]=4 24031 B13R1.292 NC(=O)CCCCNC1CC(C1)O 321ead11c244fa8ffb8dd365274712da [0,1,0,1,0,0|2,0,0]=4 24032 B13R1.292 NC(=O)CCCCN[C@H]1C[C@@H](C1)F fcb5ad65cc249d59323b7c606ae84078 [0,1,0,1,0,0|2,0,0]=4 24033 B13R1.292 NC(=O)CCCCN[C@H]1C[C@@H](C1)O 6a2d8acabdd9893ff42690155d1ff7f6 [0,1,0,1,0,0|2,0,0]=4 24034 B13R1.292 NC(=O)CCCCN[C@H]1C[C@H](C1)F 86035467d9cb35ec6cfd7f3480516a0f [0,1,0,1,0,0|2,0,0]=4 24035 B13R1.292 NC(=O)CCCCN[C@H]1C[C@H](C1)O 31f1d9986e8b35d2cd8e55e3e15c7e23 [0,1,0,1,0,0|2,0,0]=4 24036 B13R1.292 NC(=O)CCCCOC1CC(C1)F 5623f5ad6ad039001e0ecb8fa310833a [0,1,0,1,0,0|2,0,0]=4 24037 B13R1.292 NC(=O)CCCCO[C@H]1C[C@@H](C1)F 7f8eff05cff8a06cb8c27c1ff33ced00 [0,1,0,1,0,0|2,0,0]=4 24038 B13R1.292 NC(=O)CCCCO[C@H]1C[C@H](C1)F deb63a68747cc4d6af4fee81f5ddf930 [0,1,0,1,0,0|2,0,0]=4 24039 B13R1.292 NC(=O)CCCNCC1CC(C1)O a52e993f8c1c760b5d5e27c2d53c139c [0,1,0,1,0,0|2,0,0]=4 24040 B13R1.292 NC(=O)CCCNC[C@H]1C[C@@H](C1)O e550c9d7cecde29a286d6070814923dc [0,1,0,1,0,0|2,0,0]=4 24041 B13R1.292 NC(=O)CCCNC[C@H]1C[C@H](C1)F 750ff5b21a63499cb1da2aee85ce8fd9 [0,1,0,1,0,0|2,0,0]=4 24042 B13R1.292 NC(=O)CCCNC[C@H]1C[C@H](C1)O e7471b20d79a0f577559b9377cec5ace [0,1,0,1,0,0|2,0,0]=4 24043 B13R1.292 NC(=O)CCCOCC1CC(C1)F 52a68a110f3e813b4a80d182ef00b608 [0,1,0,1,0,0|2,0,0]=4 24044 B13R1.292 NC(=O)CCCOC[C@H]1C[C@H](C1)F 75e215bfdede4d5738df0808af4bd343 [0,1,0,1,0,0|2,0,0]=4 24045 B13R1.292 O=C(O)CCCCCN1CC(C1)O f105a4c1bf00a3c12f3566c8c25489c6 [0,1,0,1,0,0|1,0,0]=3 24046 B13R1.292 O=C(O)CCCCNC1CC(C1)F 024e4f7cad4a5ceab0371f81d85c89a8 [0,1,0,1,0,0|1,0,0]=3 24047 B13R1.292 O=C(O)CCCCNC1CC(C1)O 5e695009690a1ea76589711497fa2be1 [0,1,0,1,0,0|1,0,0]=3 24048 B13R1.292 O=C(O)CCCCN[C@H]1C[C@@H](C1)F 455cf8ce2de908f6a21a30379f3a3b61 [0,1,0,1,0,0|1,0,0]=3 24049 B13R1.292 O=C(O)CCCCN[C@H]1C[C@@H](C1)O 557e6de4225f2e46d26889eb628a99ea [0,1,0,1,0,0|1,0,0]=3 24050 B13R1.292 O=C(O)CCCCN[C@H]1C[C@H](C1)F a222e18b24e73e878ad99920c0090f92 [0,1,0,1,0,0|1,0,0]=3 24051 B13R1.292 O=C(O)CCCCN[C@H]1C[C@H](C1)O 275026b20428f1b9765b8b8d70b0ec33 [0,1,0,1,0,0|1,0,0]=3 24052 B13R1.292 O=C(O)CCCNCC1CC(C1)O db4a891d513c1a825cdbd94c265b2b33 [0,1,0,1,0,0|1,0,0]=3 24053 B13R1.292 O=C(O)CCCNC[C@H]1C[C@@H](C1)O 12594f3c92b16cd3f837030ad1ca1a6b [0,1,0,1,0,0|1,0,0]=3 24054 B13R1.292 O=C(O)CCCNC[C@H]1C[C@H](C1)F c1161568ac220ff8187070bbfe7297db [0,1,0,1,0,0|1,0,0]=3 24055 B13R1.292 O=C(O)CCCNC[C@H]1C[C@H](C1)O 73add51450db3e22262f94c07680b8de [0,1,0,1,0,0|1,0,0]=3 24056 B13R1.292 O=C(O)CCNCCN1CC(C1)F ed0dc85e1055c25092ba5e437e61e084 [0,1,0,1,0,0|2,0,0]=4 24057 B13R1.292 O=C(O)CCNCCN1CC(C1)O 73b3113355a1dd3787c280b2d2581626 [0,1,0,1,0,0|2,0,0]=4 24058 B13R1.292 O=C(O)CCOCCN1CC(C1)F a5faa3e2ffe5b7be138e2c70f8ba8342 [0,1,0,1,0,0|2,0,0]=4 24059 B13R1.292 O=C(O)CCOCCN1CC(C1)O 9e90e488c07b0fb5902dd5045009440c [0,1,0,1,0,0|2,0,0]=4 24060 B13R1.292 O=C(O)CNCCCN1CC(C1)O 24d7b731128f01a99a1150b772699252 [0,1,0,1,0,0|2,0,0]=4 24061 B13R1.292 O=C(O)COCCCN1CC(C1)F 4ddd432af46ea5b33ba1c777a9171df9 [0,1,0,1,0,0|2,0,0]=4 24062 B13R1.292 O=C(O)COCCCN1CC(C1)O a30c055485cac57943ec712c48363c54 [0,1,0,1,0,0|2,0,0]=4 24063 B13R1.292 O=C(O)COCCNC1CC(C1)F caf0446f3f246993ad24d0452c53103c [0,1,0,1,0,0|2,0,0]=4 24064 B13R1.292 O=C(O)COCCNC1CC(C1)O 096e67afe88c15a2c14199a655b60596 [0,1,0,1,0,0|2,0,0]=4 24065 B13R1.292 O=C(O)COCCN[C@H]1C[C@@H](C1)F 75f168a121c8de4635698a689fcf888f [0,1,0,1,0,0|2,0,0]=4 24066 B13R1.292 O=C(O)COCCN[C@H]1C[C@@H](C1)O 2495c527768f0fca354fc3aee28c6230 [0,1,0,1,0,0|2,0,0]=4 24067 B13R1.292 O=C(O)COCCN[C@H]1C[C@H](C1)F 21b5c9eff37e12886aa9a2cfd8ee7570 [0,1,0,1,0,0|2,0,0]=4 24068 B13R1.292 O=C(O)COCCN[C@H]1C[C@H](C1)O 5f20a52ee7ba36b16625820f28d9c1d9 [0,1,0,1,0,0|2,0,0]=4 24069 B13R1.292 O=C(O)COCCOC1CC(C1)F d276f3818a97a48a9216a2753bdfdfbe [0,1,0,1,0,0|2,0,0]=4 24070 B13R1.292 O=C(O)COCCO[C@H]1C[C@@H](C1)F 578720336ab68ad87202300e5ce73d3b [0,1,0,1,0,0|2,0,0]=4 24071 B13R1.292 O=C(O)COCCO[C@H]1C[C@H](C1)F 3cbc21f1fa11a67514e6d59b92d77992 [0,1,0,1,0,0|2,0,0]=4 24072 B13R1.589 C=C(C)CN1CCCCC1C(=O)O b1376d5571063975a38675047b419f3f [0,1,0,1,0,0|1,0,1]=4 24073 B13R1.589 C=C(C)CN1CCCC[C@@H]1C(=O)O 4e31efe70feb9b4de281125098caa965 [0,1,0,1,0,0|1,0,1]=4 24074 B13R1.589 C=C(C)CN1CCCC[C@H]1C(=O)O 58d84d7d2b46db27cc8e96cbc777150a [0,1,0,1,0,0|1,0,1]=4 24075 B13R1.589 CC(=O)C1CCCCN1CC(=O)O 4be2162fdb1896b221bcd73315680037 [0,1,0,1,0,0|1,0,1]=4 24076 B13R1.589 CC(=O)C1CCCCN1CC(C)C be7385236b371ae45cecf4cc73c76d0f [0,1,0,1,0,0|2,0,0]=4 24077 B13R1.589 CC(=O)C1CCCCN1CC(C)O 292d0f641ab75d05d67aaa598a9153d2 [0,1,0,1,0,0|2,0,0]=4 24078 B13R1.589 CC(=O)C1CCCCN1C[C@@H](C)O a8baa60d920b9213bcf6906174937256 [0,1,0,1,0,0|2,0,0]=4 24079 B13R1.589 CC(=O)C1CCCCN1C[C@H](C)O bd4610e8bd394404fdc59cfed1f6e092 [0,1,0,1,0,0|2,0,0]=4 24080 B13R1.589 CC(C)C1COCCN1CC(=O)O 469c4bbff145e1aafa0664720a2e6682 [0,1,0,1,0,0|2,0,0]=4 24081 B13R1.589 CC(C)CN1CCCCC1C(=O)N 95a8a93ff6eb03fbbff48f5b26d878ac [0,1,0,1,0,0|2,0,0]=4 24082 B13R1.589 CC(C)CN1CCCCC1C(=O)O 0d4c3da3054872249a47672c52c53d93 [0,1,0,1,0,0|1,0,0]=3 24083 B13R1.589 CC(C)CN1CCCC[C@@H]1C(=O)N 129f1a60d1673427d3f21884d4ed9327 [0,1,0,1,0,0|2,0,0]=4 24084 B13R1.589 CC(C)CN1CCCC[C@@H]1C(=O)O 5def202fda648832f54601e9beba94af [0,1,0,1,0,0|1,0,0]=3 24085 B13R1.589 CC(C)CN1CCCC[C@H]1C(=O)N 4aa3ead9ff8114db2043deb06a7de644 [0,1,0,1,0,0|2,0,0]=4 24086 B13R1.589 CC(C)CN1CCCC[C@H]1C(=O)O f71fb4e755b89cb47de626d765b8c74b [0,1,0,1,0,0|1,0,0]=3 24087 B13R1.589 CC(C)CN1CCCSC1C(=O)O 451bfb881c4f082fb51bcfd82e61a70b [0,1,0,1,0,0|2,0,0]=4 24088 B13R1.589 CC(C)CN1CCOCC1C(=O)O 4d8be00c237dea896ba74a1e62c49115 [0,1,0,1,0,0|2,0,0]=4 24089 B13R1.589 CC(C)CN1CCOC[C@@H]1C(=O)O 1e12672f2955d33cd8fe1a187e924a1d [0,1,0,1,0,0|2,0,0]=4 24090 B13R1.589 CC(C)CN1CCOC[C@H]1C(=O)O 4d0ad577939dc3e83679199cb6a928f6 [0,1,0,1,0,0|2,0,0]=4 24091 B13R1.589 CC(C)CN1CCSCC1C(=O)O 49ee8f548fc64d503ea4306fa6c07b79 [0,1,0,1,0,0|2,0,0]=4 24092 B13R1.589 CC(C)CN1CCSC[C@@H]1C(=O)O dd716fa9d9d3c1c966fc76859794c512 [0,1,0,1,0,0|2,0,0]=4 24093 B13R1.589 CC(C)CN1CCSC[C@H]1C(=O)O 766c6c46ba4962f72d852c52a005e444 [0,1,0,1,0,0|2,0,0]=4 24094 B13R1.589 CC(C)N1CCCCC1CC(=O)N c70b431fc50e6204690f0ff91863ad62 [0,1,0,1,0,0|2,0,0]=4 24095 B13R1.589 CC(C)N1CCCCC1CC(=O)O 029de05de5c18e8e5c1c738413a4c443 [0,1,0,1,0,0|1,0,0]=3 24096 B13R1.589 CC(C)N1CCCC[C@@H]1CC(=O)N 0a8e4da81bf7e2fdaab08a8ed5995e38 [0,1,0,1,0,0|2,0,0]=4 24097 B13R1.589 CC(C)N1CCCC[C@H]1CC(=O)N 792e06c62193cfcfb1cd2f4f0bb3b379 [0,1,0,1,0,0|2,0,0]=4 24098 B13R1.589 CC(C)N1CCCC[C@H]1CC(=O)O 36449a3afe72b418d83f355a4e8921f4 [0,1,0,1,0,0|1,0,0]=3 24099 B13R1.589 CC(C)N1CCOCC1CC(=O)O 8d43ae9a4037019d03fa29918599f075 [0,1,0,1,0,0|2,0,0]=4 24100 B13R1.589 CC(C)NC1CCCCC1C(=O)O c5995ee2347890e4be283ee4b13ec2b5 [0,1,0,1,0,0|1,0,0]=3 24101 B13R1.589 CC(C)N[C@@H]1CCCC[C@@H]1C(=O)N 04cffcebb32147f8995217154ee69beb [0,1,0,1,0,0|2,0,0]=4 24102 B13R1.589 CC(C)N[C@@H]1CCCC[C@H]1C(=O)N b4bf340a249228056a1610d32b7fdee5 [0,1,0,1,0,0|2,0,0]=4 24103 B13R1.589 CC(C)N[C@H]1CCCC[C@@H]1C(=O)N 2eafefd01e3129d1463f7fd1a1a4445a [0,1,0,1,0,0|2,0,0]=4 24104 B13R1.589 CC(C)N[C@H]1CCCC[C@@H]1C(=O)O 806f4ca8afb71f484da1adebab7fde18 [0,1,0,1,0,0|1,0,0]=3 24105 B13R1.589 CC(C)N[C@H]1CCCC[C@H]1C(=O)N baeb006b224fd035817a69a5493b8ead [0,1,0,1,0,0|2,0,0]=4 24106 B13R1.589 CC(C)N[C@H]1CCCC[C@H]1C(=O)O ab4ed574213759d847ecfe7416b1ee3b [0,1,0,1,0,0|1,0,0]=3 24107 B13R1.589 CC(C)N[C@H]1COCC[C@H]1C(=O)O 55f1b76026cd84176876669cc5a86b25 [0,1,0,1,0,0|2,0,0]=4 24108 B13R1.589 CC(C)OC1CCCCC1C(=O)O abc38cf51de520f86bd0b81556a01047 [0,1,0,1,0,0|1,0,0]=3 24109 B13R1.589 CC(C)OC1CCOCC1C(=O)O 10ba75e1049127d956706ae85a90980c [0,1,0,1,0,0|2,0,0]=4 24110 B13R1.589 CC(C)[C@@H]1COCCN1CC(=O)O 1939e2384185bb42d18375ddb9b85ac6 [0,1,0,1,0,0|2,0,0]=4 24111 B13R1.589 CC(C)[C@H]1COCCN1CC(=O)O 20c8888f9fd4b5b2e851f3d5c22414a9 [0,1,0,1,0,0|2,0,0]=4 24112 B13R1.589 CC(O)CN1CCCCC1C(=O)N 42e4a0dd4cd67211a05b8d1f615bceba [0,1,0,1,0,0|2,0,0]=4 24113 B13R1.589 CC(O)CN1CCCCC1C(=O)O 0632786616d6decf00535033598647d1 [0,1,0,1,0,0|1,0,0]=3 24114 B13R1.589 CC(O)CN1CCCC[C@@H]1C(=O)N b2ca95da021ed6d074f0086ff0d1f456 [0,1,0,1,0,0|2,0,0]=4 24115 B13R1.589 CC(O)CN1CCCC[C@@H]1C(=O)O 8b76efa1e600a621b3bbf806a2713083 [0,1,0,1,0,0|1,0,0]=3 24116 B13R1.589 CC(O)CN1CCCC[C@H]1C(=O)N 97bc61fe30d96a76d9b28e244584961a [0,1,0,1,0,0|2,0,0]=4 24117 B13R1.589 CC(O)CN1CCCC[C@H]1C(=O)O c5670c295d88d47a5aef61caf2e0f3d2 [0,1,0,1,0,0|1,0,0]=3 24118 B13R1.589 CC(O)CN1CCCSC1C(=O)O d31a6c363b22040ede24996d877cbc17 [0,1,0,1,0,0|2,0,0]=4 24119 B13R1.589 CC(O)CN1CCOCC1C(=O)O 716330e7614f5db99ee73b506972b296 [0,1,0,1,0,0|2,0,0]=4 24120 B13R1.589 CC(O)CN1CCOC[C@@H]1C(=O)O 87fdf9ecea4d891c35ac0058c59d4fe4 [0,1,0,1,0,0|2,0,0]=4 24121 B13R1.589 CC(O)CN1CCOC[C@H]1C(=O)O 3cf36689018dc30830d3f46db72ee099 [0,1,0,1,0,0|2,0,0]=4 24122 B13R1.589 CC(O)CN1CCSCC1C(=O)O a48e2c887e896b1c84e9d02a838a17f3 [0,1,0,1,0,0|2,0,0]=4 24123 B13R1.589 CC(O)CN1CCSC[C@@H]1C(=O)O f868189849e56f1eff50221f53b7a8f2 [0,1,0,1,0,0|2,0,0]=4 24124 B13R1.589 CC(O)CN1CCSC[C@H]1C(=O)O 8bccebdbbbef9cc98da1440a8d94d712 [0,1,0,1,0,0|2,0,0]=4 24125 B13R1.589 CN(C)CN1CCCCC1C(=O)O 84b35d40ae3794166ab5aadb8602c924 [0,1,0,1,0,0|2,0,0]=4 24126 B13R1.589 CN(C)CN1CCCC[C@@H]1C(=O)O 7edc013eda9afceab199b2f94d29fcf2 [0,1,0,1,0,0|2,0,0]=4 24127 B13R1.589 CN(C)CN1CCCC[C@H]1C(=O)O 4d06e1c7670eff18f2048228e519cfb9 [0,1,0,1,0,0|2,0,0]=4 24128 B13R1.589 C[C@@H](O)CN1CCCCC1C(=O)N c68e8274792815ce5c8a37b6369adc63 [0,1,0,1,0,0|2,0,0]=4 24129 B13R1.589 C[C@@H](O)CN1CCCCC1C(=O)O 4cdb45949ce40f90c7312c375aad1376 [0,1,0,1,0,0|1,0,0]=3 24130 B13R1.589 C[C@@H](O)CN1CCCC[C@@H]1C(=O)N 273efeb7ecbe8b194d6ded8a00b8a88f [0,1,0,1,0,0|2,0,0]=4 24131 B13R1.589 C[C@@H](O)CN1CCCC[C@@H]1C(=O)O a4cdb311340dc0f29cb8358f24ea0936 [0,1,0,1,0,0|1,0,0]=3 24132 B13R1.589 C[C@@H](O)CN1CCCC[C@H]1C(=O)N f50f9f2299843e7e96d583c0f2a4a719 [0,1,0,1,0,0|2,0,0]=4 24133 B13R1.589 C[C@@H](O)CN1CCCC[C@H]1C(=O)O b6d615298ae785c7017e98fcc0be77b5 [0,1,0,1,0,0|1,0,0]=3 24134 B13R1.589 C[C@@H](O)CN1CCCSC1C(=O)O 67ea052165c39857e427760c35df3f09 [0,1,0,1,0,0|2,0,0]=4 24135 B13R1.589 C[C@@H](O)CN1CCOCC1C(=O)O c97a874cb1918c1fc2cf3b7e65431977 [0,1,0,1,0,0|2,0,0]=4 24136 B13R1.589 C[C@@H](O)CN1CCOC[C@@H]1C(=O)O 2420ef08b8a560d0143478a90f2529e4 [0,1,0,1,0,0|2,0,0]=4 24137 B13R1.589 C[C@@H](O)CN1CCOC[C@H]1C(=O)O e82260a36f9046d875779e8bd0a0724c [0,1,0,1,0,0|2,0,0]=4 24138 B13R1.589 C[C@@H](O)CN1CCSCC1C(=O)O 33998ef5b7c6e7c8cf8f368f7fb4980c [0,1,0,1,0,0|2,0,0]=4 24139 B13R1.589 C[C@@H](O)CN1CCSC[C@@H]1C(=O)O 571921088555aacacb935c7cf5727bf3 [0,1,0,1,0,0|2,0,0]=4 24140 B13R1.589 C[C@@H](O)CN1CCSC[C@H]1C(=O)O bc4b78a30547002b92c82fa1997195ea [0,1,0,1,0,0|2,0,0]=4 24141 B13R1.589 C[C@H](O)CN1CCCCC1C(=O)N f516ce5d21b0f1c52b5c2b484d76db32 [0,1,0,1,0,0|2,0,0]=4 24142 B13R1.589 C[C@H](O)CN1CCCCC1C(=O)O 487d9dd68d1ffc8acda7a360e8dfaef8 [0,1,0,1,0,0|1,0,0]=3 24143 B13R1.589 C[C@H](O)CN1CCCC[C@@H]1C(=O)N 7296385690868c7a636e5bc9d06988c3 [0,1,0,1,0,0|2,0,0]=4 24144 B13R1.589 C[C@H](O)CN1CCCC[C@@H]1C(=O)O 0208632dcf65729844db25da344e651f [0,1,0,1,0,0|1,0,0]=3 24145 B13R1.589 C[C@H](O)CN1CCCC[C@H]1C(=O)N 1d602d5a7cd1579b3319e88d1305ca97 [0,1,0,1,0,0|2,0,0]=4 24146 B13R1.589 C[C@H](O)CN1CCCC[C@H]1C(=O)O cfaeeb127f31218051272c08c8f247dd [0,1,0,1,0,0|1,0,0]=3 24147 B13R1.589 C[C@H](O)CN1CCCSC1C(=O)O e41019d0feb2b5e869731dc40853911b [0,1,0,1,0,0|2,0,0]=4 24148 B13R1.589 C[C@H](O)CN1CCOCC1C(=O)O 74a315b90468eb6394a7b405e3b7d4d2 [0,1,0,1,0,0|2,0,0]=4 24149 B13R1.589 C[C@H](O)CN1CCOC[C@@H]1C(=O)O 95d820f9d879b87124f5c4e0dc9c6e43 [0,1,0,1,0,0|2,0,0]=4 24150 B13R1.589 C[C@H](O)CN1CCOC[C@H]1C(=O)O 7fecf19ab1631d83068be2d1b4f948a8 [0,1,0,1,0,0|2,0,0]=4 24151 B13R1.589 C[C@H](O)CN1CCSCC1C(=O)O 0c04917ac87eb3a200f8e2ee6278676a [0,1,0,1,0,0|2,0,0]=4 24152 B13R1.589 C[C@H](O)CN1CCSC[C@@H]1C(=O)O f742696b05785333e1a70d0becca5697 [0,1,0,1,0,0|2,0,0]=4 24153 B13R1.589 C[C@H](O)CN1CCSC[C@H]1C(=O)O 0a3eb87a2135f70ff2fdbc75374adbf8 [0,1,0,1,0,0|2,0,0]=4 24154 B13R1.589 O=C(O)C1CCCCN1CC(F)F 477d2152b4a28a55213cb5b2cd576448 [0,1,0,1,0,0|2,0,0]=4 24155 B13R1.589 O=C(O)CN1CCCCC1C(F)F a6727a5dfb3a8e47782b208403a0c7e7 [0,1,0,1,0,0|2,0,0]=4 24156 B13R1.589 O=C(O)CN1CCCC[C@@H]1C(F)F 2c2769f98b195e57cddf508d4802aa59 [0,1,0,1,0,0|2,0,0]=4 24157 B13R1.589 O=C(O)CN1CCCC[C@H]1C(F)F 58785b2a221674520f7cc616d4b82ef7 [0,1,0,1,0,0|2,0,0]=4 24158 B13R1.589 O=C(O)[C@@H]1CCCCN1CC(F)F df1922613acb8d4805ce998d2afe8de8 [0,1,0,1,0,0|2,0,0]=4 24159 B13R1.589 O=C(O)[C@H]1CCCCN1CC(F)F 1f264b762759ff0d8385a3aa1f8d2fa0 [0,1,0,1,0,0|2,0,0]=4 24160 B13R1.591 C=C(C)CN1CCCC1CC(=O)O 879f95142c62109f67c0eb603f53e464 [0,1,0,1,0,0|1,0,1]=4 24161 B13R1.591 C=C(C)CN1CCC[C@@H]1CC(=O)O 104f42d1f5edbe3522076e1e76a408e6 [0,1,0,1,0,0|1,0,1]=4 24162 B13R1.591 C=C(C)CN1CCC[C@H]1CC(=O)O 2e47df575ea4d46e4ebad44dea2c99c6 [0,1,0,1,0,0|1,0,1]=4 24163 B13R1.591 CC(C)CC1CCCN1CC(=O)N 3abd6d45e117fcada91a1e28f03a6ae7 [0,1,0,1,0,0|2,0,0]=4 24164 B13R1.591 CC(C)CC1CCCN1CC(=O)O a96ee77337310fbb101e41c1a9d590f8 [0,1,0,1,0,0|1,0,0]=3 24165 B13R1.591 CC(C)CN1CCCC1CC(=O)O 5ea8bc506085d5f76d575b7a74e3c482 [0,1,0,1,0,0|1,0,0]=3 24166 B13R1.591 CC(C)CN1CCC[C@@H]1CC(=O)O 56b06d6169110edb87f1ef52115fa92e [0,1,0,1,0,0|1,0,0]=3 24167 B13R1.591 CC(C)CN1CCC[C@H]1CC(=O)O c0ac0f78e8f05c8f334bf77c04f02e3b [0,1,0,1,0,0|1,0,0]=3 24168 B13R1.591 CC(O)CN1CCCC1CC(=O)O cabc780ae458bd6b99a76b6a5e5dec95 [0,1,0,1,0,0|1,0,0]=3 24169 B13R1.591 CC(O)CN1CCC[C@@H]1CC(=O)O 6077aa3a2a9078eefa795deb05b47225 [0,1,0,1,0,0|1,0,0]=3 24170 B13R1.591 CC(O)CN1CCC[C@H]1CC(=O)O f7327f9d31a5a3c0c423825fdcd34c4e [0,1,0,1,0,0|1,0,0]=3 24171 B13R1.591 CN(C)CN1CCCC1CC(=O)O 0c2a4a33b9f07cfdfc032d1e3c0bb51e [0,1,0,1,0,0|2,0,0]=4 24172 B13R1.591 CN(C)CN1CCC[C@@H]1CC(=O)O fe557345050ce754aa1c65d74460720d [0,1,0,1,0,0|2,0,0]=4 24173 B13R1.591 CN(C)CN1CCC[C@H]1CC(=O)O 330147f574f51369a088c6c62f326670 [0,1,0,1,0,0|2,0,0]=4 24174 B13R1.591 CN(C)C[C@@H]1CCCN1CC(=O)O 45ceb031bb5b368c20d4f30774f10c5a [0,1,0,1,0,0|2,0,0]=4 24175 B13R1.591 CN(C)C[C@H]1CCCN1CC(=O)O 1dbcfad674cd00b5489bcf18444e7d82 [0,1,0,1,0,0|2,0,0]=4 24176 B13R1.591 C[C@@H](O)CN1CCCC1CC(=O)O 1bbcb9c7e7aa9d3eb044f8681b13c349 [0,1,0,1,0,0|1,0,0]=3 24177 B13R1.591 C[C@@H](O)CN1CCC[C@@H]1CC(=O)O c0b1f7f42153c7312d7f0d1ec4010fb7 [0,1,0,1,0,0|1,0,0]=3 24178 B13R1.591 C[C@@H](O)CN1CCC[C@H]1CC(=O)O 85a21ddb0a13b9baf6cea620d276f4f5 [0,1,0,1,0,0|1,0,0]=3 24179 B13R1.591 C[C@H](O)CN1CCCC1CC(=O)O 988526d81cd10af95f0b0f911ad81e33 [0,1,0,1,0,0|1,0,0]=3 24180 B13R1.591 C[C@H](O)CN1CCC[C@@H]1CC(=O)O 141e07d456a3d605a44ade99164ba7b3 [0,1,0,1,0,0|1,0,0]=3 24181 B13R1.591 C[C@H](O)CN1CCC[C@H]1CC(=O)O a3c30a79d2d44e7e6ffb0969bd040ac6 [0,1,0,1,0,0|1,0,0]=3 24182 B13R1.591 O=C(O)CC1CCCN1CC(F)F 257eff3451bede5dfa09868f4c1e2960 [0,1,0,1,0,0|2,0,0]=4 24183 B13R1.591 O=C(O)C[C@@H]1CCCN1CC(F)F 2ace432d1f62c2dadffa2434bf9f554d [0,1,0,1,0,0|2,0,0]=4 24184 B13R1.591 O=C(O)C[C@H]1CCCN1CC(F)F 492f3d15d747006a69f56236d0659fee [0,1,0,1,0,0|2,0,0]=4 24185 B13R1.1013 CC(=O)CCCN1CCCC1(C)C df553f14d51896f7ca6715afcb1155dd [0,1,0,1,0,0|2,0,0]=4 24186 B13R1.1013 CC(=O)CCNC1CCCC1(C)C e7996cddf194019006a8b35240942880 [0,1,0,1,0,0|2,0,0]=4 24187 B13R1.1013 CC(=O)CCNC1CCCC1(C)O 53dd10d68c4789540d9c00661c266de0 [0,1,0,1,0,0|2,0,0]=4 24188 B13R1.1013 CC(=O)CCN[C@@H]1CCC[C@@]1(C)O c8690b874f875287d69668c88aed374b [0,1,0,1,0,0|2,0,0]=4 24189 B13R1.1013 CC(=O)CCN[C@H]1CCC[C@]1(C)O 54d1ebf4b2a48c37057cd65af56fc960 [0,1,0,1,0,0|2,0,0]=4 24190 B13R1.1013 CC(=O)CCOC1CCCC1(C)C 62310991f0fa208102f97729ad14473c [0,1,0,1,0,0|2,0,0]=4 24191 B13R1.1013 CC(=O)CCO[C@@H]1CCCC1(C)C 2f648cd5670d905d97d9a20f3705a505 [0,1,0,1,0,0|2,0,0]=4 24192 B13R1.1013 CC(=O)CCO[C@H]1CCCC1(C)C c7e6e8554ddb06e0459c4ace1a0d4d91 [0,1,0,1,0,0|2,0,0]=4 24193 B13R1.1013 CC1(CCCC1NCCC(=O)N)C ed12e505370430a64d321c6c9140296d [0,1,0,1,0,0|2,0,0]=4 24194 B13R1.1013 CC1(CCCC1NCCC(=O)N)O 72e25a5491375e0dabe1d86f353f4905 [0,1,0,1,0,0|2,0,0]=4 24195 B13R1.1013 CC1(CCCC1NCCC(=O)O)C 631dcba6f1b3411a102396fdb44cfd47 [0,1,0,1,0,0|1,0,0]=3 24196 B13R1.1013 CC1(CCCC1NCCC(=O)O)O c1961dbca09533666c94f538e49fc915 [0,1,0,1,0,0|1,0,0]=3 24197 B13R1.1013 CC1(CCCC1OCCC(=O)N)C 7edc27249881be3b0d580c837a9bb8bf [0,1,0,1,0,0|2,0,0]=4 24198 B13R1.1013 CC1(CCCC1OCCC(=O)O)C ecab7ef93c27d26a37a9dbabbf414824 [0,1,0,1,0,0|1,0,0]=3 24199 B13R1.1013 CC1(CCCN1CCCC(=O)N)C 33dd344dbcdcdaf0099ed70b47951772 [0,1,0,1,0,0|2,0,0]=4 24200 B13R1.1013 CC1(CCC[C@@H]1OCCC(=O)N)C 0898efd2c47431dffee69462184b29d5 [0,1,0,1,0,0|2,0,0]=4 24201 B13R1.1013 CC1(CCC[C@@H]1OCCC(=O)O)C 01d0f84e9226999ef8196d221ccd50f9 [0,1,0,1,0,0|1,0,0]=3 24202 B13R1.1013 CC1(CCC[C@H]1OCCC(=O)N)C dd1b5fb4c396055d462279570f262da8 [0,1,0,1,0,0|2,0,0]=4 24203 B13R1.1013 CC1(CCC[C@H]1OCCC(=O)O)C 15746b64c6f3272a15d8734c02e894b1 [0,1,0,1,0,0|1,0,0]=3 24204 B13R1.1013 CC1(OCCC1CNCC(=O)O)C 27e277d6bdadbad3696142c67d37d56a [0,1,0,1,0,0|2,0,0]=4 24205 B13R1.1013 CC1(OCCC1COCC(=O)O)C e3656a8e6bb198a9f5f69592cd3266ef [0,1,0,1,0,0|2,0,0]=4 24206 B13R1.1013 CC1(OCCC1NCCC(=O)O)C 54cc82d59d1d4aef9ddfbf02876f9b38 [0,1,0,1,0,0|2,0,0]=4 24207 B13R1.1013 CC1(OCCN1CCCC(=O)O)C 972cf898d2339785d24bd2271a830d07 [0,1,0,1,0,0|2,0,0]=4 24208 B13R1.1013 CC1(SCCN1CCCC(=O)O)C 4b2a625ddc1c337659cf63efd98a0bbd [0,1,0,1,0,0|2,0,0]=4 24209 B13R1.1013 C[C@@]1(CCC[C@@H]1NCCC(=O)N)O fd5fb769a4d405d8151a626038fe57cf [0,1,0,1,0,0|2,0,0]=4 24210 B13R1.1013 C[C@@]1(CCC[C@@H]1NCCC(=O)O)O 6b236b49078cef71a24e1b58c9badfaa [0,1,0,1,0,0|1,0,0]=3 24211 B13R1.1013 C[C@]1(CCC[C@H]1NCCC(=O)N)O e15f6ac9430e7e7bf04a2ec77b4b55c7 [0,1,0,1,0,0|2,0,0]=4 24212 B13R1.1013 C[C@]1(CCC[C@H]1NCCC(=O)O)O cc4e5ab16c54f4d6031cc05cb3f0d0c4 [0,1,0,1,0,0|1,0,0]=3 24213 B13R1.1013 O=C(O)CCNC1CCCC1(F)F a41469423dc48a0db6c59891d8660acb [0,1,0,1,0,0|2,0,0]=4 24214 B13R1.1013 O=C(O)CCOC1CCCC1(F)F f40639b67f8f32416b23a93a517bdad8 [0,1,0,1,0,0|2,0,0]=4 24215 B13R1.1028 CC(=O)CCCOC1CCC1(C)C bf78ca5e3f5562bfd41d04d875d20cfc [0,1,0,1,0,0|2,0,0]=4 24216 B13R1.1028 CC1(CCC1OCCCC(=O)N)C a6886ca83b71d9eb2781ec231b93e62c [0,1,0,1,0,0|2,0,0]=4 24217 B13R1.1028 CC1(COC1CNCCC(=O)O)C fc8806ac621b1fcf3b9998d92ba24c9d [0,1,0,1,0,0|2,0,0]=4 24218 B13R1.1028 CC1(OCC1COCCC(=O)O)C 0f73fa6c31d90b27ffbf6c9bd1a1f25f [0,1,0,1,0,0|2,0,0]=4 24219 B13R1.1028 CC1(OCC1NCCCC(=O)O)C 7d2a2fde3174db5d9881858445ad1957 [0,1,0,1,0,0|2,0,0]=4 24220 B13R1.1028 CC1(OCC1OCCCC(=O)O)C d0f3ddbd3cc93c53c5ddeb009d51e852 [0,1,0,1,0,0|2,0,0]=4 24221 B13R1.1028 O=C(O)CCNCC1CCC1(F)F 2b60b14040c24e29d0dfeb30cf1b186e [0,1,0,1,0,0|2,0,0]=4 24222 B13R1.1028 O=C(O)CCOCC1CCC1(F)F 81acda5eb17947992ea2baeb060dc626 [0,1,0,1,0,0|2,0,0]=4 24223 B13R1.1029 C=C(C)CCCO[C@@H]1C[C@@H]1C(=O)O 15f3ffa79ba1ba142aa1c683736b3ac7 [0,1,0,1,0,0|1,0,1]=4 24224 B13R1.1029 C=C(C)CCCO[C@H]1C[C@@H]1C(=O)O d856c4694e00c429a7d5eb8fe843b5d3 [0,1,0,1,0,0|1,0,1]=4 24225 B13R1.1029 C=C(C)CCCO[C@H]1C[C@H]1C(=O)O 38ab8e3007cc0bb564f578aa1db89f56 [0,1,0,1,0,0|1,0,1]=4 24226 B13R1.1029 C=C(C)CCNCC1CC1C(=O)O 035b985c3935ccfab45622d5932f4446 [0,1,0,1,0,0|1,0,1]=4 24227 B13R1.1029 C=C(C)CCNC[C@@H]1C[C@H]1C(=O)O 329bf91382b92721d65201c0743b24ce [0,1,0,1,0,0|1,0,1]=4 24228 B13R1.1029 C=C(C)CCOCC1CC1C(=O)O c8f06e1b8f9ca37ccaa97086df4249da [0,1,0,1,0,0|1,0,1]=4 24229 B13R1.1029 C=C(C)CCOC[C@@H]1C[C@H]1C(=O)O 1370a60ba2de383cbf6adbb60dfa8ad6 [0,1,0,1,0,0|1,0,1]=4 24230 B13R1.1029 C=C(C)CCOC[C@H]1C[C@@H]1C(=O)O 136e3655f5cffa140955cc2e0b327d97 [0,1,0,1,0,0|1,0,1]=4 24231 B13R1.1029 C=C(C)CCOC[C@H]1C[C@H]1C(=O)O fecc0a03d867d916ad8b9e57d1752a32 [0,1,0,1,0,0|1,0,1]=4 24232 B13R1.1029 CC(=O)CCCO[C@@H]1C[C@@H]1C(=O)O 9781298e49e0dd9e06a03188fb8ad452 [0,1,0,1,0,0|1,0,1]=4 24233 B13R1.1029 CC(=O)CCCO[C@H]1C[C@@H]1C(=O)O e4e087338dde7138656b0d46e57e4c42 [0,1,0,1,0,0|1,0,1]=4 24234 B13R1.1029 CC(=O)CCCO[C@H]1C[C@H]1C(=O)O b166565430151d8c0e29a751dc29c8f0 [0,1,0,1,0,0|1,0,1]=4 24235 B13R1.1029 CC(=O)CCNC[C@@H]1C[C@H]1C(=O)O 388beae66e32bac338eaa0d8e699918a [0,1,0,1,0,0|1,0,1]=4 24236 B13R1.1029 CC(=O)CCOCC1CC1C(=O)O ab9c4b9b3fe9149b3c8c829d3b0d2051 [0,1,0,1,0,0|1,0,1]=4 24237 B13R1.1029 CC(=O)CCOC[C@@H]1C[C@H]1C(=O)O 16a313f23879c0d3222982f35c6d4c4f [0,1,0,1,0,0|1,0,1]=4 24238 B13R1.1029 CC(=O)CCOC[C@H]1C[C@@H]1C(=O)O f7b1158956468eff7a81733a73547aca [0,1,0,1,0,0|1,0,1]=4 24239 B13R1.1029 CC(=O)CCOC[C@H]1C[C@H]1C(=O)O 86f322bf482daa57f9b72eb416399ddb [0,1,0,1,0,0|1,0,1]=4 24240 B13R1.1029 CC(C)CCCN[C@@H]1C[C@@H]1C(=O)O 79a41c47df9807b6c2c693845748977a [0,1,0,1,0,0|1,0,0]=3 24241 B13R1.1029 CC(C)CCCN[C@H]1C[C@@H]1C(=O)O 7f19af811f9a57be92d7034244c881d0 [0,1,0,1,0,0|1,0,0]=3 24242 B13R1.1029 CC(C)CCCN[C@H]1C[C@H]1C(=O)O 02c5d501b11245d2ab092a74e4d08182 [0,1,0,1,0,0|1,0,0]=3 24243 B13R1.1029 CC(C)CCCO[C@@H]1C[C@@H]1C(=O)O 11759e17542dcc5e0f7deb788ed95770 [0,1,0,1,0,0|1,0,0]=3 24244 B13R1.1029 CC(C)CCCO[C@H]1C[C@@H]1C(=O)O befd7f75fd9c96ec2d7f85ab54e16008 [0,1,0,1,0,0|1,0,0]=3 24245 B13R1.1029 CC(C)CCCO[C@H]1C[C@H]1C(=O)O 8275c6cdd2a42509cdaec62aefde2687 [0,1,0,1,0,0|1,0,0]=3 24246 B13R1.1029 CC(C)CCNCC1CC1C(=O)O bd57f467759bd64366c5568c7ec9b106 [0,1,0,1,0,0|1,0,0]=3 24247 B13R1.1029 CC(C)CCNC[C@@H]1C[C@H]1C(=O)O cae325de1cd1d5dc9024a1e262230968 [0,1,0,1,0,0|1,0,0]=3 24248 B13R1.1029 CC(C)CCOCC1CC1C(=O)O 0c0ce3b38b6c6e40ddb444c67218f6c3 [0,1,0,1,0,0|1,0,0]=3 24249 B13R1.1029 CC(C)CCOC[C@@H]1C[C@H]1C(=O)O 55094f0aa6b5381e48de0cdd14b8f5a5 [0,1,0,1,0,0|1,0,0]=3 24250 B13R1.1029 CC(C)CCOC[C@H]1C[C@@H]1C(=O)O 2fd43b7282a8770848a6fa11cfd384ed [0,1,0,1,0,0|1,0,0]=3 24251 B13R1.1029 CC(C)CCOC[C@H]1C[C@H]1C(=O)O e8b0e11ccbf2acce418813155db1bffc [0,1,0,1,0,0|1,0,0]=3 24252 B13R1.1029 CC(C)OCCN[C@@H]1C[C@@H]1C(=O)O 351ffad7b3b3dfc6ddac3f05a2d87a1e [0,1,0,1,0,0|2,0,0]=4 24253 B13R1.1029 CC(C)OCCN[C@H]1C[C@@H]1C(=O)O 572a7643d4007449111155d95a9082b2 [0,1,0,1,0,0|2,0,0]=4 24254 B13R1.1029 CC(C)OCCN[C@H]1C[C@H]1C(=O)O 56c0940433a48b7a9cccf8fd1d66a5d1 [0,1,0,1,0,0|2,0,0]=4 24255 B13R1.1029 CC(C)OCCO[C@@H]1C[C@@H]1C(=O)O a7535751b172236d7be3bb51dd8c7383 [0,1,0,1,0,0|2,0,0]=4 24256 B13R1.1029 CC(C)OCCO[C@H]1C[C@@H]1C(=O)O 793733fb9ada875b2ea4830718dfd3bd [0,1,0,1,0,0|2,0,0]=4 24257 B13R1.1029 CC(C)OCCO[C@H]1C[C@H]1C(=O)O aa071b1d2a5bf0180526005c0c818897 [0,1,0,1,0,0|2,0,0]=4 24258 B13R1.1029 CC(C)OCNC[C@@H]1C[C@H]1C(=O)O 3e79eb7b8a3f5341ab1d6e14ad011e2d [0,1,0,1,0,0|2,0,0]=4 24259 B13R1.1029 CC(C)OCOCC1CC1C(=O)O d240a13bc9910147344c1a5b95e2c23f [0,1,0,1,0,0|2,0,0]=4 24260 B13R1.1029 CC(C)OCOC[C@@H]1C[C@H]1C(=O)O fab1381faf6504ecc9d0286e3cac498b [0,1,0,1,0,0|2,0,0]=4 24261 B13R1.1029 CC(C)OCOC[C@H]1C[C@@H]1C(=O)O 3008953c055881166c9be588aeec2e20 [0,1,0,1,0,0|2,0,0]=4 24262 B13R1.1029 CC(C)OCOC[C@H]1C[C@H]1C(=O)O a380e88f83aff6e7aefea8a7bdfd20fe [0,1,0,1,0,0|2,0,0]=4 24263 B13R1.1029 CC(C)SCCO[C@@H]1C[C@@H]1C(=O)O 8bdd3c488eb1c664c954ea7d7c8f3af0 [0,1,0,1,0,0|2,0,0]=4 24264 B13R1.1029 CC(C)SCCO[C@H]1C[C@@H]1C(=O)O ae5f547d8164227919c6acb43574bccb [0,1,0,1,0,0|2,0,0]=4 24265 B13R1.1029 CC(C)SCCO[C@H]1C[C@H]1C(=O)O a8a2063502045239f697b8fd546b9738 [0,1,0,1,0,0|2,0,0]=4 24266 B13R1.1029 CC(O)CCNCC1CC1C(=O)O e620111abe2e20030a1429388ae450bb [0,1,0,1,0,0|1,0,0]=3 24267 B13R1.1029 CC(O)CCNC[C@@H]1C[C@H]1C(=O)O 5dbb659f37f02603f8300598a6bfa93e [0,1,0,1,0,0|1,0,0]=3 24268 B13R1.1029 CN(C)CCCN[C@@H]1C[C@@H]1C(=O)O 403a50cd83ae7cf3a69e4dd410be93f4 [0,1,0,1,0,0|2,0,0]=4 24269 B13R1.1029 CN(C)CCCN[C@H]1C[C@@H]1C(=O)O bd47e54d2f933f340febe3e7693cc7c4 [0,1,0,1,0,0|2,0,0]=4 24270 B13R1.1029 CN(C)CCCN[C@H]1C[C@H]1C(=O)O 9db8a8ac9d0c26b283b5ef56950d170d [0,1,0,1,0,0|2,0,0]=4 24271 B13R1.1029 CN(C)CCCO[C@@H]1C[C@@H]1C(=O)O 9782ffa07488a653124351b1e3ca15d9 [0,1,0,1,0,0|2,0,0]=4 24272 B13R1.1029 CN(C)CCCO[C@H]1C[C@@H]1C(=O)O eb1645f91334acdce23f5125f15fb51b [0,1,0,1,0,0|2,0,0]=4 24273 B13R1.1029 CN(C)CCCO[C@H]1C[C@H]1C(=O)O 92b4d13418da6688fe6ba9eba4299752 [0,1,0,1,0,0|2,0,0]=4 24274 B13R1.1029 CN(C)CCNCC1CC1C(=O)O 8e6fde52a7df691e0577309be45525f5 [0,1,0,1,0,0|2,0,0]=4 24275 B13R1.1029 CN(C)CCNC[C@@H]1C[C@H]1C(=O)O bbfde25baca09ead13371f130cf37750 [0,1,0,1,0,0|2,0,0]=4 24276 B13R1.1029 CN(C)CCOCC1CC1C(=O)O 4f48ef670dc2ff88fee95a7d37a669ca [0,1,0,1,0,0|2,0,0]=4 24277 B13R1.1029 CN(C)CCOC[C@@H]1C[C@H]1C(=O)O dbd3a193905d5ccad0a7cafcffad878e [0,1,0,1,0,0|2,0,0]=4 24278 B13R1.1029 CN(C)CCOC[C@H]1C[C@@H]1C(=O)O f61d3d25d14fa683d136a8328b6d85bb [0,1,0,1,0,0|2,0,0]=4 24279 B13R1.1029 CN(C)CCOC[C@H]1C[C@H]1C(=O)O 9147e0ba6e95c0d0795ea22629bb1281 [0,1,0,1,0,0|2,0,0]=4 24280 B13R1.1029 CS(=O)CCCN[C@@H]1C[C@@H]1C(=O)O 079500d742281819f481a45d7638cb9d [0,1,0,1,0,0|2,0,0]=4 24281 B13R1.1029 CS(=O)CCCN[C@H]1C[C@@H]1C(=O)O 5e3aeaf1814df4c1436a33f417780d4d [0,1,0,1,0,0|2,0,0]=4 24282 B13R1.1029 CS(=O)CCCN[C@H]1C[C@H]1C(=O)O d25a20025cf2d6cdee5485bf669e5952 [0,1,0,1,0,0|2,0,0]=4 24283 B13R1.1029 CS(=O)CCNCC1CC1C(=O)O f8d1c0d1e391abe03b9da16a6034e638 [0,1,0,1,0,0|2,0,0]=4 24284 B13R1.1029 CS(=O)CCNC[C@@H]1C[C@H]1C(=O)O 487477e32b0cc71017f07835af8428db [0,1,0,1,0,0|2,0,0]=4 24285 B13R1.1029 CS(=O)CCOCC1CC1C(=O)O 87dbda266d883054d314374e210a7b60 [0,1,0,1,0,0|2,0,0]=4 24286 B13R1.1029 CS(=O)CCOC[C@@H]1C[C@H]1C(=O)O 736d2f4221bac91b40cd2335fab4fd30 [0,1,0,1,0,0|2,0,0]=4 24287 B13R1.1029 CS(=O)CCOC[C@H]1C[C@@H]1C(=O)O 3e60527a66afd85a4f621f1f298ee140 [0,1,0,1,0,0|2,0,0]=4 24288 B13R1.1029 CS(=O)CCOC[C@H]1C[C@H]1C(=O)O 003e1f89ac0bc29bc9454a3694ab0ed1 [0,1,0,1,0,0|2,0,0]=4 24289 B13R1.1029 C[C@@H](O)CCNCC1CC1C(=O)O 31ac702ac6de79f4bb7166cf88575d50 [0,1,0,1,0,0|1,0,0]=3 24290 B13R1.1029 C[C@@H](O)CCNC[C@@H]1C[C@H]1C(=O)O 8cf18456fbc2001d7ce2ac9142f1caed [0,1,0,1,0,0|1,0,0]=3 24291 B13R1.1029 C[C@H](O)CCNCC1CC1C(=O)O 7d6a7f0996765730bf1a38c5e1f98d90 [0,1,0,1,0,0|1,0,0]=3 24292 B13R1.1029 C[C@H](O)CCNC[C@@H]1C[C@H]1C(=O)O cf72347f809d4a1869f05b427ac89416 [0,1,0,1,0,0|1,0,0]=3 24293 B13R1.1029 O=C(O)C1CC1CNCCC(F)F faea1041bf050ac36597a0ef6bc6684e [0,1,0,1,0,0|2,0,0]=4 24294 B13R1.1029 O=C(O)C1CC1COCCC(F)F 1727416dd8ae35f4b6dae69291d2151a [0,1,0,1,0,0|2,0,0]=4 24295 B13R1.1029 O=C(O)[C@@H]1C[C@H]1CNCCC(F)F 59442af4248a35c9ebf4db1fa4e8cb74 [0,1,0,1,0,0|2,0,0]=4 24296 B13R1.1029 O=C(O)[C@@H]1C[C@H]1COCCC(F)F 3289e4d67c7c042c7549e8e4a287e4ab [0,1,0,1,0,0|2,0,0]=4 24297 B13R1.1045 CC(=O)CCCCCN1CC1(C)C bdb6885ea03152c6d3251f8b49a78e1e [0,1,0,1,0,0|2,0,0]=4 24298 B13R1.1045 CC(=O)CCCCNC1CC1(C)C bebe604e74f98a452b99064243803b27 [0,1,0,1,0,0|2,0,0]=4 24299 B13R1.1045 CC(=O)CCCCN[C@@H]1CC1(C)C caa086e0ebbe642c5f192ba1f89707a7 [0,1,0,1,0,0|2,0,0]=4 24300 B13R1.1045 CC(=O)CCCCN[C@H]1CC1(C)C e9bc69be3ed14dd49036744d5fd33d8a [0,1,0,1,0,0|2,0,0]=4 24301 B13R1.1045 CC(=O)CCCCOC1CC1(C)C cdc34e01361bfb0a412f127157dba7e5 [0,1,0,1,0,0|2,0,0]=4 24302 B13R1.1045 CC(=O)CCCNC[C@@H]1CC1(C)C 929e4d3726ffabade3ca0bb2006ce5ea [0,1,0,1,0,0|2,0,0]=4 24303 B13R1.1045 CC(=O)CCCNC[C@H]1CC1(C)C b7852f50ae307de412cb053c12c0d992 [0,1,0,1,0,0|2,0,0]=4 24304 B13R1.1045 CC(=O)CCCOCC1CC1(C)C fe69a5d781f04e7e23fa88ab82518ee2 [0,1,0,1,0,0|2,0,0]=4 24305 B13R1.1045 CC(=O)CCCOC[C@@H]1CC1(C)C 6a61790363afd08fd927cc7ea79f5884 [0,1,0,1,0,0|2,0,0]=4 24306 B13R1.1045 CC(=O)CCCOC[C@H]1CC1(C)C 7f66dee12ee1783964fe0a19d154afca [0,1,0,1,0,0|2,0,0]=4 24307 B13R1.1045 CC1(CC1COCCCC(=O)N)C 860f8b5fcbcc5f483e858fef1cc2566f [0,1,0,1,0,0|2,0,0]=4 24308 B13R1.1045 CC1(CC1NCCCCC(=O)N)C 4d0f3f3d16e6cf1ac317cc462857f358 [0,1,0,1,0,0|2,0,0]=4 24309 B13R1.1045 CC1(CC1NCCCCC(=O)O)C 81fb6675024c92527b77392a652a83f9 [0,1,0,1,0,0|1,0,0]=3 24310 B13R1.1045 CC1(CC1NCCOCC(=O)O)C d404f5d344fb35d36a8cc6546ed919d1 [0,1,0,1,0,0|2,0,0]=4 24311 B13R1.1045 CC1(CC1NCCSCC(=O)O)C b85d41c74fc0c6e3b5b6e78e932f4d98 [0,1,0,1,0,0|2,0,0]=4 24312 B13R1.1045 CC1(CC1OCCCCC(=O)N)C a00d3e18521bec42cb5626549709ac39 [0,1,0,1,0,0|2,0,0]=4 24313 B13R1.1045 CC1(CC1OCCOCC(=O)O)C a1d8cb74b68c83d6d2c9fe80ddbf27dd [0,1,0,1,0,0|2,0,0]=4 24314 B13R1.1045 CC1(CN1CCCCCC(=O)N)C 46a2072a11faaf4b15a0750e25082778 [0,1,0,1,0,0|2,0,0]=4 24315 B13R1.1045 CC1(CN1CCCOCC(=O)O)C 58f49c3899dba62b6fd507106d92bfd8 [0,1,0,1,0,0|2,0,0]=4 24316 B13R1.1045 CC1(CN1CCOCCC(=O)O)C e20c496175d0d44c89fff9f5a855f118 [0,1,0,1,0,0|2,0,0]=4 24317 B13R1.1045 CC1(C[C@@H]1CNCCCC(=O)N)C 8ab8517e2880ed1e53b75f464f3fb97a [0,1,0,1,0,0|2,0,0]=4 24318 B13R1.1045 CC1(C[C@@H]1CNCCCC(=O)O)C e0702d5379eba6ac3d9302f9ce1e6042 [0,1,0,1,0,0|1,0,0]=3 24319 B13R1.1045 CC1(C[C@@H]1COCCCC(=O)N)C 4fd3ceef20a428d581e9aceb02b48f1f [0,1,0,1,0,0|2,0,0]=4 24320 B13R1.1045 CC1(C[C@@H]1NCCCCC(=O)N)C 8f4c56c3eba49f06bbe5633e3ad7fd2c [0,1,0,1,0,0|2,0,0]=4 24321 B13R1.1045 CC1(C[C@@H]1NCCCCC(=O)O)C b135c5a097e8088d560551b2341d8043 [0,1,0,1,0,0|1,0,0]=3 24322 B13R1.1045 CC1(C[C@@H]1NCCOCC(=O)O)C 691d2933bf509ca25dc38016112e2076 [0,1,0,1,0,0|2,0,0]=4 24323 B13R1.1045 CC1(C[C@H]1CNCCCC(=O)N)C ef6da56272f37be5e3284356401175d9 [0,1,0,1,0,0|2,0,0]=4 24324 B13R1.1045 CC1(C[C@H]1CNCCCC(=O)O)C 160bfd8ddfae51b6bf5b72b28aa72d16 [0,1,0,1,0,0|1,0,0]=3 24325 B13R1.1045 CC1(C[C@H]1COCCCC(=O)N)C 87229c3b081fad860b273139bd082712 [0,1,0,1,0,0|2,0,0]=4 24326 B13R1.1045 CC1(C[C@H]1NCCCCC(=O)N)C 92db5b383c152f915066600bbd8342c1 [0,1,0,1,0,0|2,0,0]=4 24327 B13R1.1045 CC1(C[C@H]1NCCCCC(=O)O)C 8491327cf01d02dec8665006e414d1e8 [0,1,0,1,0,0|1,0,0]=3 24328 B13R1.1045 CC1(C[C@H]1NCCOCC(=O)O)C 42cee995a896187207c7c7f62c3f5aa2 [0,1,0,1,0,0|2,0,0]=4 24329 B13R1.1045 O=C(O)CCCCNC1CC1(F)F 35a4c3a277952f7fec9fb32bba2ca3b9 [0,1,0,1,0,0|2,0,0]=4 24330 B13R1.1045 O=C(O)CCCCOC1CC1(F)F 34b33cc8304ea2f25e376b49cd332e65 [0,1,0,1,0,0|2,0,0]=4 24331 B13R1.1045 O=C(O)CCCNCC1CC1(F)F a17988d6fc033edc998964a105999c58 [0,1,0,1,0,0|2,0,0]=4 24332 B13R1.1045 O=C(O)CCCNC[C@H]1CC1(F)F 2bc642c81975bb9d922ad493e848affa [0,1,0,1,0,0|2,0,0]=4 24333 B13R1.1045 O=C(O)CCCOCC1CC1(F)F daa85efdb86a6e192ac0de3fbb079b0e [0,1,0,1,0,0|2,0,0]=4 24334 B13R1.1045 O=C(O)CCCOC[C@@H]1CC1(F)F e8ed76aa0bd2f1b17e5dff9dd03a95d3 [0,1,0,1,0,0|2,0,0]=4 24335 B13R1.1045 O=C(O)CCCOC[C@H]1CC1(F)F 63cc834c0babcdf00f2c3de3c4f4c615 [0,1,0,1,0,0|2,0,0]=4 24336 B13R1.1045 O=C(O)CCNCCC1CC1(F)F 77d86e31aa117258f9bfd8b93ee63b01 [0,1,0,1,0,0|2,0,0]=4 24337 B13R1.1045 O=C(O)CCOCCC1CC1(F)F 8321cc2c92106e8e4260560664be9948 [0,1,0,1,0,0|2,0,0]=4 24338 B13R1.1065 C=C(C)CCCN1CCC1C(=O)O 6be791b7304b8c0fa377e04800cae8a2 [0,1,0,1,0,0|1,0,1]=4 24339 B13R1.1065 C=C(C)CCCN1CC[C@@H]1C(=O)O 7ea1b6b3df0934ae8b87d0e47c19d939 [0,1,0,1,0,0|1,0,1]=4 24340 B13R1.1065 C=C(C)CCCN1CC[C@H]1C(=O)O e57d55a702d78b30657f8ad75b7d257d [0,1,0,1,0,0|1,0,1]=4 24341 B13R1.1065 C=C(C)CCN[C@H]1CC[C@H]1C(=O)O 98ff0495034d4fce96a117db28cbe658 [0,1,0,1,0,0|1,0,1]=4 24342 B13R1.1065 C=C(C)CCOC1CCC1C(=O)O 5eb31bfc4dd180730c0b50d81aeb9bf2 [0,1,0,1,0,0|1,0,1]=4 24343 B13R1.1065 C=C(C)CCO[C@H]1CC[C@@H]1C(=O)O 5c4209c42dee4a2ec1a09e6a685f4711 [0,1,0,1,0,0|1,0,1]=4 24344 B13R1.1065 CC(=O)CCCN1CCC1C(=O)O a12ab26c3d04b22ce16dad8a5a810df4 [0,1,0,1,0,0|1,0,1]=4 24345 B13R1.1065 CC(=O)CCCN1CC[C@@H]1C(=O)O 92831a4e33536df1671a69dc02a77c99 [0,1,0,1,0,0|1,0,1]=4 24346 B13R1.1065 CC(=O)CCCN1CC[C@H]1C(=O)O be6b86df5a3998922d90b7cbc96e8920 [0,1,0,1,0,0|1,0,1]=4 24347 B13R1.1065 CC(=O)CCN[C@H]1CC[C@H]1C(=O)O d7b29d4991f3bfb75fa3c1b411da67b1 [0,1,0,1,0,0|1,0,1]=4 24348 B13R1.1065 CC(=O)CCOC1CCC1C(=O)O 9cc5e401a52d17bef33e764e28b16540 [0,1,0,1,0,0|1,0,1]=4 24349 B13R1.1065 CC(=O)CCO[C@H]1CC[C@@H]1C(=O)O 76c62172159c179e708887161f691184 [0,1,0,1,0,0|1,0,1]=4 24350 B13R1.1065 CC(C)C1OCC1NCCC(=O)O c7ad4313ab1e50f8831d78044a66a650 [0,1,0,1,0,0|2,0,0]=4 24351 B13R1.1065 CC(C)CCCN1CCC1C(=O)N 9437dd232807950ac1a65df5ae81be89 [0,1,0,1,0,0|2,0,0]=4 24352 B13R1.1065 CC(C)CCCN1CCC1C(=O)O 1322d3d71f2c8edab4ba77a1f8c8013b [0,1,0,1,0,0|1,0,0]=3 24353 B13R1.1065 CC(C)CCCN1CC[C@@H]1C(=O)N 7c50d2557cfbe7cc2adbe5049ddbbbeb [0,1,0,1,0,0|2,0,0]=4 24354 B13R1.1065 CC(C)CCCN1CC[C@@H]1C(=O)O cac382c4eddc185d0186eb193493da10 [0,1,0,1,0,0|1,0,0]=3 24355 B13R1.1065 CC(C)CCCN1CC[C@H]1C(=O)N 3cb68b3022a25eefe4080f87572cd76f [0,1,0,1,0,0|2,0,0]=4 24356 B13R1.1065 CC(C)CCCN1CC[C@H]1C(=O)O 289b0a8486e496231314459577ff2c92 [0,1,0,1,0,0|1,0,0]=3 24357 B13R1.1065 CC(C)CCN[C@H]1CC[C@H]1C(=O)O db1a59c38da7953d8b6f38d2d8c9d4d6 [0,1,0,1,0,0|1,0,0]=3 24358 B13R1.1065 CC(C)CCOC1CCC1C(=O)O a7679e977de86688c2e27173470c00ac [0,1,0,1,0,0|1,0,0]=3 24359 B13R1.1065 CC(C)CCO[C@H]1CC[C@@H]1C(=O)O 4c6f365d05f72ee1f730438f91e0fc73 [0,1,0,1,0,0|1,0,0]=3 24360 B13R1.1065 CC(C)OCCN1CCC1C(=O)O 1f6b58dd4cf92a05dcc849d033f606d3 [0,1,0,1,0,0|2,0,0]=4 24361 B13R1.1065 CC(C)OCCN1CC[C@@H]1C(=O)O c47e52eaf4b0547f2f350c4140649333 [0,1,0,1,0,0|2,0,0]=4 24362 B13R1.1065 CC(C)OCCN1CC[C@H]1C(=O)O 78270bf811a5cf8b6ae426d52baf54c3 [0,1,0,1,0,0|2,0,0]=4 24363 B13R1.1065 CC(C)OCN[C@H]1CC[C@H]1C(=O)O bdcc972f175122fafe8658ea17a49266 [0,1,0,1,0,0|2,0,0]=4 24364 B13R1.1065 CC(C)OCOC1CCC1C(=O)O a02a6a905c28cdd60105656611258322 [0,1,0,1,0,0|2,0,0]=4 24365 B13R1.1065 CC(C)OCO[C@H]1CC[C@@H]1C(=O)O 2ceeec2966592b877729be37f28d4640 [0,1,0,1,0,0|2,0,0]=4 24366 B13R1.1065 CC(C)SCCN1CCC1C(=O)O 87c9849ce1f10de20e8b76b87a431931 [0,1,0,1,0,0|2,0,0]=4 24367 B13R1.1065 CC(C)SCCN1CC[C@@H]1C(=O)O 8c2aa440ccfeb9ae96126eb8d3d77fac [0,1,0,1,0,0|2,0,0]=4 24368 B13R1.1065 CC(C)SCCN1CC[C@H]1C(=O)O 1aa9c74bfbfc4a91b38a3c9144245c4f [0,1,0,1,0,0|2,0,0]=4 24369 B13R1.1065 CC(C)[C@H]1OC[C@H]1NCCC(=O)O b30bddf9492f23bd5042921674278b35 [0,1,0,1,0,0|2,0,0]=4 24370 B13R1.1065 CC(O)CCCN1CCC1C(=O)N a91bb240e5deb8e8da742a776f7be9b7 [0,1,0,1,0,0|2,0,0]=4 24371 B13R1.1065 CC(O)CCCN1CCC1C(=O)O 05d958a09f1ae316c98a5c87376dd08d [0,1,0,1,0,0|1,0,0]=3 24372 B13R1.1065 CC(O)CCCN1CC[C@@H]1C(=O)N dc0c32437396d466a1bf61e79c4ae999 [0,1,0,1,0,0|2,0,0]=4 24373 B13R1.1065 CC(O)CCCN1CC[C@@H]1C(=O)O 81a512940bed1f846d89476d4c4a2815 [0,1,0,1,0,0|1,0,0]=3 24374 B13R1.1065 CC(O)CCCN1CC[C@H]1C(=O)N 86b77250cc5ffbeffe93f0359a9fc87a [0,1,0,1,0,0|2,0,0]=4 24375 B13R1.1065 CC(O)CCCN1CC[C@H]1C(=O)O 00a011f4dc915ffbadacd39739c2190c [0,1,0,1,0,0|1,0,0]=3 24376 B13R1.1065 CC(O)CCN[C@H]1CC[C@H]1C(=O)O 3d650781e44cc407192e53475ad66934 [0,1,0,1,0,0|1,0,0]=3 24377 B13R1.1065 CN(C)CCCN1CCC1C(=O)O 32f18c9c89d385cdc9a862ad2bacff1c [0,1,0,1,0,0|2,0,0]=4 24378 B13R1.1065 CN(C)CCCN1CC[C@@H]1C(=O)O 1c9f27416e925b39db81d973eb4701d0 [0,1,0,1,0,0|2,0,0]=4 24379 B13R1.1065 CN(C)CCCN1CC[C@H]1C(=O)O 935dc22f81d313b3ea5a6c3761249650 [0,1,0,1,0,0|2,0,0]=4 24380 B13R1.1065 CN(C)CCN[C@H]1CC[C@H]1C(=O)O aa8d781aa68eb0bf590ce3abab73de31 [0,1,0,1,0,0|2,0,0]=4 24381 B13R1.1065 CN(C)CCOC1CCC1C(=O)O 0044a6ad0a315ee9d3cceb8ede085c80 [0,1,0,1,0,0|2,0,0]=4 24382 B13R1.1065 CN(C)CCO[C@H]1CC[C@@H]1C(=O)O 452e072ef6314e0bd34a63af7c79a1f0 [0,1,0,1,0,0|2,0,0]=4 24383 B13R1.1065 CN(C)[C@H]1CC[C@H]1COCC(=O)O be5c74dafb65786c590971ebdcfee669 [0,1,0,1,0,0|2,0,0]=4 24384 B13R1.1065 CS(=O)CCN[C@H]1CC[C@H]1C(=O)O 8a7d2c726e28772687b8def3acc1ebab [0,1,0,1,0,0|2,0,0]=4 24385 B13R1.1065 CS(=O)CCOC1CCC1C(=O)O 9d73a45c54d8908e24d5dfdfe11d2e40 [0,1,0,1,0,0|2,0,0]=4 24386 B13R1.1065 CS(=O)CCO[C@H]1CC[C@@H]1C(=O)O 6fee1bfb6fdec26b7ec38989cade1cb9 [0,1,0,1,0,0|2,0,0]=4 24387 B13R1.1082 CC(C)N1CCCCCC1C(=O)O d83de1af03cae2a4ec825a94acf1a0de [0,1,0,1,0,0|1,0,0]=3 24388 B13R1.1082 CC(C)N1CCCCC[C@@H]1C(=O)O 4ad7a1b1cee45a66b72f198148959af8 [0,1,0,1,0,0|1,0,0]=3 24389 B13R1.1082 CC(C)N1CCCCC[C@H]1C(=O)O 8c408591b26ae18f6c589a3c55bc3b61 [0,1,0,1,0,0|1,0,0]=3 24390 B13R1.1082 CC(C)N1CCCOCC1C(=O)O fa279b88053aa71e1efab39f25de16a6 [0,1,0,1,0,0|2,0,0]=4 24391 B13R1.1983 C=C(C)CCN1CCC1CC(=O)O 802ed96b9d98a008b55e8ea6083dc511 [0,1,0,1,0,0|1,0,1]=4 24392 B13R1.1983 CC(=O)CCN1CCC1CC(=O)O d41b3a9d607a97a92f1314051d0ddea7 [0,1,0,1,0,0|1,0,1]=4 24393 B13R1.1983 CC(C)CCN1CCC1CC(=O)O 228bc52453b8f3bb36c74e915b01734b [0,1,0,1,0,0|1,0,0]=3 24394 B13R1.1983 CC(C)OCN1CCC1CC(=O)O c8f53049693b9f892ee15633c670ccc1 [0,1,0,1,0,0|2,0,0]=4 24395 B13R1.1983 CC(O)CCN1CCC1CC(=O)O 1552f7087a758bef00ff0fb153eedc41 [0,1,0,1,0,0|1,0,0]=3 24396 B13R1.1983 CN(C)CCN1CCC1CC(=O)O 6a14d55a2435eee5fd7f21d722ec09c4 [0,1,0,1,0,0|2,0,0]=4 24397 B13R1.1983 CS(=O)CCN1CCC1CC(=O)O ca2828dcda09328309160e0920e915f7 [0,1,0,1,0,0|2,0,0]=4 24398 B13R1.3575 CC(=O)CCN1CCCCC1(C)C b130ee1b54b5cd3110cfd9a58f219ed0 [0,1,0,1,0,0|2,0,0]=4 24399 B13R1.3575 CC1(CCCCC1NCC(=O)N)C 028e281e1e55842f8c240c710222e987 [0,1,0,1,0,0|2,0,0]=4 24400 B13R1.3575 CC1(CCCCC1NCC(=O)N)O d2866accc493b13a8267191f8373560d [0,1,0,1,0,0|2,0,0]=4 24401 B13R1.3575 CC1(CCCCC1NCC(=O)O)C f0219090049c8878dcd695efccd9a2c0 [0,1,0,1,0,0|1,0,0]=3 24402 B13R1.3575 CC1(CCCCC1NCC(=O)O)O c4d55278480ccaa3de58f38c75d298ac [0,1,0,1,0,0|1,0,0]=3 24403 B13R1.3575 CC1(CCCCC1OCC(=O)N)C 77678a43ab507c560efb544fc8394fb0 [0,1,0,1,0,0|2,0,0]=4 24404 B13R1.3575 CC1(CCCCC1OCC(=O)O)C f9c82a28b8ca3fc8fe96e2ac2285b2dc [0,1,0,1,0,0|1,0,0]=3 24405 B13R1.3575 CC1(CCCCN1CCC(=O)N)C 0ce582be67e9971e3bce3550672f98c5 [0,1,0,1,0,0|2,0,0]=4 24406 B13R1.3575 CC1(CCCCN1CCC(=O)O)C ceab7f8d11226ee3930799051314ffd6 [0,1,0,1,0,0|1,0,0]=3 24407 B13R1.3575 CC1(COCCC1NCC(=O)O)C 26286f4dce99f9ebefbaf1fa8411ce4b [0,1,0,1,0,0|2,0,0]=4 24408 B13R1.3575 CC1(COCCC1OCC(=O)O)C 19490deda1094a805179a9c76a906088 [0,1,0,1,0,0|2,0,0]=4 24409 B13R1.3575 CC1(COCCN1CCC(=O)O)C 6016ef44229c49b05fca21f192b9f153 [0,1,0,1,0,0|2,0,0]=4 24410 B13R1.3575 O=C(O)CNC1CCCCC1(F)F 1100b48bf25bb031d323dd8ba569e6e9 [0,1,0,1,0,0|2,0,0]=4 24411 B13R1.3575 O=C(O)COC1CCCCC1(F)F eb41d7d8e434b695458c678a8b123dfa [0,1,0,1,0,0|2,0,0]=4 24412 B13R1.3576 C=C(C)CCN1CCCC1C(=O)O f943e8c02d44fe0ea45f90661fefad38 [0,1,0,1,0,0|1,0,1]=4 24413 B13R1.3576 C=C(C)CCN1CCC[C@@H]1C(=O)O 54b4b826b817b9b15890cb45ce98f8f5 [0,1,0,1,0,0|1,0,1]=4 24414 B13R1.3576 C=C(C)CCN1CCC[C@H]1C(=O)O afaa8d378372d35662669e2a9d23a711 [0,1,0,1,0,0|1,0,1]=4 24415 B13R1.3576 C=C(C)CN[C@@H]1CCC[C@@H]1C(=O)O 79e93dd82b36c5afebb69e6dc1226ebd [0,1,0,1,0,0|1,0,1]=4 24416 B13R1.3576 C=C(C)CN[C@H]1CCC[C@@H]1C(=O)O d1631945e05291d7daff3224fb63df48 [0,1,0,1,0,0|1,0,1]=4 24417 B13R1.3576 C=C(C)CN[C@H]1CCC[C@H]1C(=O)O 120f4f8b0ec02310fe73e8386d721261 [0,1,0,1,0,0|1,0,1]=4 24418 B13R1.3576 C=C(C)COC1CCCC1C(=O)O b1362a95dc50412ec044505277b0b76d [0,1,0,1,0,0|1,0,1]=4 24419 B13R1.3576 C=C(C)CO[C@@H]1CCC[C@@H]1C(=O)O 6a60787b0497da29f9d9bc16cb36b430 [0,1,0,1,0,0|1,0,1]=4 24420 B13R1.3576 C=C(C)CO[C@@H]1CCC[C@H]1C(=O)O 0782a821e97ae6a25e8168999bb5c8ca [0,1,0,1,0,0|1,0,1]=4 24421 B13R1.3576 C=C(C)CO[C@H]1CCC[C@H]1C(=O)O 7f4179964b4ed2d7610abdd2db75760c [0,1,0,1,0,0|1,0,1]=4 24422 B13R1.3576 CC(=O)CCN1CCCC1C(=O)O bb76cd54d0cf91922be30106ce7ac25d [0,1,0,1,0,0|1,0,1]=4 24423 B13R1.3576 CC(=O)CCN1CCCC1C(C)C 09238f6696953babd1dd54a67c2bc275 [0,1,0,1,0,0|2,0,0]=4 24424 B13R1.3576 CC(=O)CCN1CCCC1C(C)O c891106e7dcb4b8700de5ef26849ab4d [0,1,0,1,0,0|2,0,0]=4 24425 B13R1.3576 CC(=O)CCN1CCC[C@@H]1C(=O)O 8d4bd3cd8f55d3b951147262e2c51d87 [0,1,0,1,0,0|1,0,1]=4 24426 B13R1.3576 CC(=O)CCN1CCC[C@@H]1C(C)O 7c90dd0887ccecb1f08105c5b53d57cb [0,1,0,1,0,0|2,0,0]=4 24427 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(=O)O 15c0a213a801ea34c0a196bf062e5b92 [0,1,0,1,0,0|1,0,1]=4 24428 B13R1.3576 CC(=O)CCN1CCC[C@H]1C(C)C 70365e43d8ffcfa9296a9a86f929817f [0,1,0,1,0,0|2,0,0]=4 24429 B13R1.3576 CC(=O)CCN1CCC[C@H]1[C@H](C)O 5b49f5226ad76eddefeeb1a2d4ab67e5 [0,1,0,1,0,0|2,0,0]=4 24430 B13R1.3576 CC(C)C1CCCC1OCC(=O)N 0dc4caa2c174cdc88d2c6bb02e8feea3 [0,1,0,1,0,0|2,0,0]=4 24431 B13R1.3576 CC(C)C1CCCC1OCC(=O)O 25683e7657f6d493c755a1a277e2c74e [0,1,0,1,0,0|1,0,0]=3 24432 B13R1.3576 CC(C)C1CCCN1CCC(=O)N c818dbaadfd57008e2c8cd155946a351 [0,1,0,1,0,0|2,0,0]=4 24433 B13R1.3576 CC(C)C1CCCN1CCC(=O)O 4fec4c905149184e093ef46ffafc6c2b [0,1,0,1,0,0|1,0,0]=3 24434 B13R1.3576 CC(C)CCN1CCCC1C(=O)N fb69d0e3f8619bc3b752d35db8a2ffa1 [0,1,0,1,0,0|2,0,0]=4 24435 B13R1.3576 CC(C)CCN1CCCC1C(=O)O 61127e7fdff0a1c36e458dffe5a1ea13 [0,1,0,1,0,0|1,0,0]=3 24436 B13R1.3576 CC(C)CCN1CCC[C@@H]1C(=O)N a8a6a6eb5f25f6b60ddfae9737c8af4e [0,1,0,1,0,0|2,0,0]=4 24437 B13R1.3576 CC(C)CCN1CCC[C@@H]1C(=O)O 387275c77a1397238a22ba6000cb0515 [0,1,0,1,0,0|1,0,0]=3 24438 B13R1.3576 CC(C)CCN1CCC[C@H]1C(=O)N c89f36bba339d0d1db49b0e69df5f12b [0,1,0,1,0,0|2,0,0]=4 24439 B13R1.3576 CC(C)CCN1CCC[C@H]1C(=O)O 1d3c5e16bdae1eee8e0a124095bf2d79 [0,1,0,1,0,0|1,0,0]=3 24440 B13R1.3576 CC(C)CCN1CCSC1C(=O)O 05117b906d8547764b6f56aaa3897fbd [0,1,0,1,0,0|2,0,0]=4 24441 B13R1.3576 CC(C)CCN1CSCC1C(=O)O 8a68e6186bf3f3c2c4411f4d9dddb1d7 [0,1,0,1,0,0|2,0,0]=4 24442 B13R1.3576 CC(C)CCN1CSC[C@@H]1C(=O)O 9201c48ef04148b065c7da59b84903b1 [0,1,0,1,0,0|2,0,0]=4 24443 B13R1.3576 CC(C)CCN1CSC[C@H]1C(=O)O 079d8b40966c049ad633e483e185f6a6 [0,1,0,1,0,0|2,0,0]=4 24444 B13R1.3576 CC(C)CN[C@@H]1CCC[C@@H]1C(=O)O dcfcedf3e130cccd8381ba85febbf3dc [0,1,0,1,0,0|1,0,0]=3 24445 B13R1.3576 CC(C)CN[C@@H]1COC[C@@H]1C(=O)O 4cdaf8427463bd6a0542f2f1734c5f1d [0,1,0,1,0,0|2,0,0]=4 24446 B13R1.3576 CC(C)CN[C@@H]1COC[C@H]1C(=O)O 7cdd7e83b7ad692c592873ffd08cf985 [0,1,0,1,0,0|2,0,0]=4 24447 B13R1.3576 CC(C)CN[C@H]1CCC[C@@H]1C(=O)O 2f5cc783b910a0a36482aaccfbbb00d6 [0,1,0,1,0,0|1,0,0]=3 24448 B13R1.3576 CC(C)CN[C@H]1CCC[C@H]1C(=O)O 15fc0c04a13d8726940bc1643ff99840 [0,1,0,1,0,0|1,0,0]=3 24449 B13R1.3576 CC(C)CN[C@H]1COC[C@@H]1C(=O)O dca316d115d4720bf50ca115e3d1c135 [0,1,0,1,0,0|2,0,0]=4 24450 B13R1.3576 CC(C)CN[C@H]1COC[C@H]1C(=O)O 2a5174b2c8e9fae104660ac409c6d53e [0,1,0,1,0,0|2,0,0]=4 24451 B13R1.3576 CC(C)COC1CCCC1C(=O)N 0812d0c13cb908a43c5a688be46147dd [0,1,0,1,0,0|2,0,0]=4 24452 B13R1.3576 CC(C)COC1CCCC1C(=O)O 955ed3f8d1ca1424b67c972fdfaf4d14 [0,1,0,1,0,0|1,0,0]=3 24453 B13R1.3576 CC(C)CO[C@@H]1CCC[C@@H]1C(=O)O c917616849f81c4b26369f9481fa8286 [0,1,0,1,0,0|1,0,0]=3 24454 B13R1.3576 CC(C)CO[C@@H]1CCC[C@H]1C(=O)O e253eb344d8fc2e5c4c4c8b0f4b5a904 [0,1,0,1,0,0|1,0,0]=3 24455 B13R1.3576 CC(C)CO[C@H]1CCC[C@H]1C(=O)O 95937ea57eec4576ee79e4d8db094a61 [0,1,0,1,0,0|1,0,0]=3 24456 B13R1.3576 CC(C)OCN1CCCC1C(=O)O 72c07a82fe5233482bb291ab813fca0c [0,1,0,1,0,0|2,0,0]=4 24457 B13R1.3576 CC(C)OCN1CCC[C@@H]1C(=O)O c749101740395b2471192857bea785db [0,1,0,1,0,0|2,0,0]=4 24458 B13R1.3576 CC(C)OCN1CCC[C@H]1C(=O)O 6a75accc789456369a2e0e2468cbc331 [0,1,0,1,0,0|2,0,0]=4 24459 B13R1.3576 CC(C)[C@@H]1CCCN1CCC(=O)N 124c56d6ba660de1bd4b6281ef4657eb [0,1,0,1,0,0|2,0,0]=4 24460 B13R1.3576 CC(C)[C@@H]1CCCN1CCC(=O)O 7fdb6e075e93cf31a21e0e113a3d5e26 [0,1,0,1,0,0|1,0,0]=3 24461 B13R1.3576 CC(O)C1CCCN1CCC(=O)N 7c6c4ef90ad56c6e81b3483f752f054b [0,1,0,1,0,0|2,0,0]=4 24462 B13R1.3576 CC(O)C1CCCN1CCC(=O)O 3b5013287eebc227e7f59ce26da6c758 [0,1,0,1,0,0|1,0,0]=3 24463 B13R1.3576 CC(O)CCN1CCCC1C(=O)N e65d1de09a8392626a4ed2435293a9f5 [0,1,0,1,0,0|2,0,0]=4 24464 B13R1.3576 CC(O)CCN1CCCC1C(=O)O 1de1efecd0c2df7f773211e0247f882d [0,1,0,1,0,0|1,0,0]=3 24465 B13R1.3576 CC(O)CCN1CCC[C@@H]1C(=O)N f6dca1d3aa4d25b19e88348a8bcfcc17 [0,1,0,1,0,0|2,0,0]=4 24466 B13R1.3576 CC(O)CCN1CCC[C@@H]1C(=O)O 04aaf82a68dfb1e921ec2fed80586631 [0,1,0,1,0,0|1,0,0]=3 24467 B13R1.3576 CC(O)CCN1CCC[C@H]1C(=O)N 91c4f5aabc4247e3182d14cc34913c09 [0,1,0,1,0,0|2,0,0]=4 24468 B13R1.3576 CC(O)CCN1CCC[C@H]1C(=O)O bc5d20c4a585fc8ab30bafb7d2eaea60 [0,1,0,1,0,0|1,0,0]=3 24469 B13R1.3576 CC(O)CCN1CCSC1C(=O)O ba2d002339f8ad10356705d752ad0ef3 [0,1,0,1,0,0|2,0,0]=4 24470 B13R1.3576 CC(O)CCN1CSCC1C(=O)O 0a893f153939cc59d3fa34172aae76d0 [0,1,0,1,0,0|2,0,0]=4 24471 B13R1.3576 CC(O)CCN1CSC[C@@H]1C(=O)O 0c679ebd9ff2bbc6d4d1f06e0003fa46 [0,1,0,1,0,0|2,0,0]=4 24472 B13R1.3576 CC(O)CCN1CSC[C@H]1C(=O)O fa2d81c285a21696f47332c1c778b89f [0,1,0,1,0,0|2,0,0]=4 24473 B13R1.3576 CC(O)CN[C@@H]1CCC[C@@H]1C(=O)O c099c21cd306c47608339f6f372d7346 [0,1,0,1,0,0|1,0,0]=3 24474 B13R1.3576 CC(O)CN[C@@H]1COC[C@@H]1C(=O)O 623a159c9fcd661e86ffebf94b73f643 [0,1,0,1,0,0|2,0,0]=4 24475 B13R1.3576 CC(O)CN[C@@H]1COC[C@H]1C(=O)O 399da24b50bce28d78c2e6b196cd7f52 [0,1,0,1,0,0|2,0,0]=4 24476 B13R1.3576 CC(O)CN[C@H]1CCC[C@@H]1C(=O)O 0a00615bda033f8bb2bf54ad5f9cc28c [0,1,0,1,0,0|1,0,0]=3 24477 B13R1.3576 CC(O)CN[C@H]1CCC[C@H]1C(=O)O 6ae96db474f4f2bd9c310d88e76dfffb [0,1,0,1,0,0|1,0,0]=3 24478 B13R1.3576 CC(O)CN[C@H]1COC[C@@H]1C(=O)O 93a72f42178678f3cdd832228a6ac96f [0,1,0,1,0,0|2,0,0]=4 24479 B13R1.3576 CC(O)CN[C@H]1COC[C@H]1C(=O)O ac1e483c8b12f5c50febc6bfe81aa28a [0,1,0,1,0,0|2,0,0]=4 24480 B13R1.3576 CC(O)[C@H]1CCCN1CCC(=O)N 78d956f22dcfb879d234d56fa11dabd5 [0,1,0,1,0,0|2,0,0]=4 24481 B13R1.3576 CC(O)[C@H]1CCCN1CCC(=O)O d6d5b21be337b189139f24077ad762fd [0,1,0,1,0,0|1,0,0]=3 24482 B13R1.3576 CN(C)C1CCCC1OCC(=O)O 5fe79f0623fc318c2fba03f2519cbc84 [0,1,0,1,0,0|2,0,0]=4 24483 B13R1.3576 CN(C)CCN1CCCC1C(=O)O 008f6637906c8ceccb119895db86369d [0,1,0,1,0,0|2,0,0]=4 24484 B13R1.3576 CN(C)CCN1CCC[C@@H]1C(=O)O 5637c5be5629fc38882fee10d029f6f8 [0,1,0,1,0,0|2,0,0]=4 24485 B13R1.3576 CN(C)CCN1CCC[C@H]1C(=O)O 056bcd531757bfacaf42c6b1d037f3da [0,1,0,1,0,0|2,0,0]=4 24486 B13R1.3576 CN(C)CN[C@@H]1CCC[C@@H]1C(=O)O d65a3201aadf187289c2e4ea71f09323 [0,1,0,1,0,0|2,0,0]=4 24487 B13R1.3576 CN(C)CN[C@H]1CCC[C@@H]1C(=O)O 7469ddfd6ed39c20098c15c5d9747461 [0,1,0,1,0,0|2,0,0]=4 24488 B13R1.3576 CN(C)CN[C@H]1CCC[C@H]1C(=O)O 3eef577356a897ac60f1c8bfaece0a7d [0,1,0,1,0,0|2,0,0]=4 24489 B13R1.3576 CN(C)COC1CCCC1C(=O)O 81c2690ef71717786e4546bc25ae2cd6 [0,1,0,1,0,0|2,0,0]=4 24490 B13R1.3576 CN(C)CO[C@@H]1CCC[C@@H]1C(=O)O 1d4564e8935e3e8bec13963bd6470a52 [0,1,0,1,0,0|2,0,0]=4 24491 B13R1.3576 CN(C)CO[C@@H]1CCC[C@H]1C(=O)O ea1e92efaa2be4637c02d1e1526fc12a [0,1,0,1,0,0|2,0,0]=4 24492 B13R1.3576 CN(C)CO[C@H]1CCC[C@H]1C(=O)O d1552e6d2525a9c10a65faf89ba8073f [0,1,0,1,0,0|2,0,0]=4 24493 B13R1.3576 CN(C)[C@@H]1CCC[C@H]1NCC(=O)O dda3df1633ebc70ea161948c970fd736 [0,1,0,1,0,0|2,0,0]=4 24494 B13R1.3576 CN(C)[C@@H]1CCC[C@H]1OCC(=O)O 7301665919d294f1b931944d98e7b686 [0,1,0,1,0,0|2,0,0]=4 24495 B13R1.3576 CN(C)[C@H]1CCC[C@@H]1NCC(=O)O b862947e35edb4572a7d106edb350959 [0,1,0,1,0,0|2,0,0]=4 24496 B13R1.3576 CS(=O)CCN1CCCC1C(=O)O a51be6127d1b945b4a51d0cdd4290e8f [0,1,0,1,0,0|2,0,0]=4 24497 B13R1.3576 CS(=O)CCN1CCC[C@@H]1C(=O)O fcbe6b4d259d472e6ffbaf80d87e9eeb [0,1,0,1,0,0|2,0,0]=4 24498 B13R1.3576 CS(=O)CCN1CCC[C@H]1C(=O)O 2b6c3ae9c757bf9933aa95ad41064825 [0,1,0,1,0,0|2,0,0]=4 24499 B13R1.3576 C[C@@H](O)CN[C@@H]1CCC[C@@H]1C(=O)O 711724a69b761208347d57334500964d [0,1,0,1,0,0|1,0,0]=3 24500 B13R1.3576 C[C@@H](O)CN[C@@H]1COC[C@@H]1C(=O)O 1f12ee41c5564b707c9bb33633eb4e8f [0,1,0,1,0,0|2,0,0]=4 24501 B13R1.3576 C[C@@H](O)CN[C@@H]1COC[C@H]1C(=O)O 1f385381426ae5d7685de85406d3ded6 [0,1,0,1,0,0|2,0,0]=4 24502 B13R1.3576 C[C@@H](O)CN[C@H]1CCC[C@@H]1C(=O)O f7e1d25bbfa89aaa8e69c8a237294ec8 [0,1,0,1,0,0|1,0,0]=3 24503 B13R1.3576 C[C@@H](O)CN[C@H]1CCC[C@H]1C(=O)O 98e340ff636011296d007001eb71c1cf [0,1,0,1,0,0|1,0,0]=3 24504 B13R1.3576 C[C@@H](O)CN[C@H]1COC[C@@H]1C(=O)O 2bec6b0e132dc9033e5c978cd98d9c87 [0,1,0,1,0,0|2,0,0]=4 24505 B13R1.3576 C[C@@H](O)CN[C@H]1COC[C@H]1C(=O)O 59bb2d8c287ec5df26bfaf016a23a219 [0,1,0,1,0,0|2,0,0]=4 24506 B13R1.3576 C[C@H](O)CN[C@@H]1CCC[C@@H]1C(=O)O e48c2562e022f4c5082372f7de20dc50 [0,1,0,1,0,0|1,0,0]=3 24507 B13R1.3576 C[C@H](O)CN[C@@H]1COC[C@@H]1C(=O)O 78c3f01210b92561cba7d7c1283e2b79 [0,1,0,1,0,0|2,0,0]=4 24508 B13R1.3576 C[C@H](O)CN[C@@H]1COC[C@H]1C(=O)O 8059517cc38b17a269beba4da460f765 [0,1,0,1,0,0|2,0,0]=4 24509 B13R1.3576 C[C@H](O)CN[C@H]1CCC[C@@H]1C(=O)O 9ef0119e798cca5926538c819d7e4742 [0,1,0,1,0,0|1,0,0]=3 24510 B13R1.3576 C[C@H](O)CN[C@H]1CCC[C@H]1C(=O)O 7bafd553b584506f378ab4b9e7bcf3eb [0,1,0,1,0,0|1,0,0]=3 24511 B13R1.3576 C[C@H](O)CN[C@H]1COC[C@@H]1C(=O)O 4d124a7f33e6f01bd2cf034149101d91 [0,1,0,1,0,0|2,0,0]=4 24512 B13R1.3576 C[C@H](O)CN[C@H]1COC[C@H]1C(=O)O 99f88efd9450c3ab84e9c8dd6a0e991c [0,1,0,1,0,0|2,0,0]=4 24513 B13R1.3576 C[C@H](O)[C@@H]1CCCN1CCC(=O)N d9366eecc452bd0f0fc85e110c8d0657 [0,1,0,1,0,0|2,0,0]=4 24514 B13R1.3576 C[C@H](O)[C@@H]1CCCN1CCC(=O)O cae586cc3c1bb9101a892ba018c7c8e4 [0,1,0,1,0,0|1,0,0]=3 24515 B13R1.3576 O=C(O)C1CCCC1OCC(F)F 81123a45f9754d87843ffcb01ce7351a [0,1,0,1,0,0|2,0,0]=4 24516 B13R1.3576 O=C(O)CCN1CCCC1C(F)F 02b5bec3e82d18d4f296d441fcd3e136 [0,1,0,1,0,0|2,0,0]=4 24517 B13R1.3576 O=C(O)CCN1CCC[C@@H]1C(F)F e0da79f513e7194f3c92f9f683f27dab [0,1,0,1,0,0|2,0,0]=4 24518 B13R1.3576 O=C(O)CCN1CCC[C@H]1C(F)F 08cb42da327718b6a8b780ec99ae0e81 [0,1,0,1,0,0|2,0,0]=4 24519 B13R1.3576 O=C(O)[C@@H]1CCC[C@@H]1NCC(F)F b7b78bee1b49de8a5bcbfdee42bcf402 [0,1,0,1,0,0|2,0,0]=4 24520 B13R1.3576 O=C(O)[C@@H]1CCC[C@@H]1OCC(F)F 14c63927f8292fced428cf246521e78a [0,1,0,1,0,0|2,0,0]=4 24521 B13R1.3576 O=C(O)[C@@H]1CCC[C@H]1OCC(F)F 3878ef9eed9cf85079178bc932cc10bf [0,1,0,1,0,0|2,0,0]=4 24522 B13R1.3576 O=C(O)[C@H]1CCC[C@@H]1NCC(F)F cd3e7a913242a066b5a7e0b333ebff0f [0,1,0,1,0,0|2,0,0]=4 24523 B13R1.3576 O=C(O)[C@H]1CCC[C@H]1NCC(F)F 05ed9ed2091855e8dd96983edda27443 [0,1,0,1,0,0|2,0,0]=4 24524 B13R1.3576 O=C(O)[C@H]1CCC[C@H]1OCC(F)F aadb692e08085cc6c833bdf24d9f99f9 [0,1,0,1,0,0|2,0,0]=4 24525 B13R1.20 CCCC(C)CN1CCCC(=O)C1 024e6964eb693594cb352ad75c297d6b [0,1,0,1,0,0|2,0,0]=4 24526 B13R1.20 CCCC(C)NC1CCCC(=O)C1 9a1548319e70ab8866bafd5fb13474ad [0,1,0,1,0,0|2,0,0]=4 24527 B13R1.20 CCC[C@H](C)NC1CCCC(=O)C1 faa1dc208c3c49e14fac7316da156a87 [0,1,0,1,0,0|2,0,0]=4 24528 B13R1.41 CC(CCO)NCC1CCC(=O)O1 b3a5f25d4524d65312b78ee27c436bc5 [0,1,0,1,0,0|2,0,0]=4 24529 B13R1.41 CCCC(=S)OCC1CCC(=O)O1 dc0da3bda80260a049033455fe175e8e [0,1,0,1,0,0|1,0,1]=4 24530 B13R1.41 CCCC(C)NCC1CCC(=O)N1 150f9097b35af5f704e10d4b0eb5c8fe [0,1,0,1,0,0|2,0,0]=4 24531 B13R1.41 CCCC(C)NCC1CCC(=O)O1 2603f7cff94e975b4c15603c6a9e29fd [0,1,0,1,0,0|1,0,0]=3 24532 B13R1.41 CCCC(C)NC[C@@H]1CCC(=O)N1 cc5d51cd06ed1e5b26f4429e40016d4d [0,1,0,1,0,0|2,0,0]=4 24533 B13R1.41 CCCC(C)NC[C@H]1CCC(=O)N1 1c3b7ddd258de34fd9210f78ade879d0 [0,1,0,1,0,0|2,0,0]=4 24534 B13R1.41 CCCC(C)OCC1CCC(=O)C1 6bf5080cdf152c8f2a754ff0d2a8588a [0,1,0,1,0,0|2,0,0]=4 24535 B13R1.41 CCCC(C)OCC1CCC(=O)N1 c999491fb0e1b8aa4ffb83a90606b406 [0,1,0,1,0,0|2,0,0]=4 24536 B13R1.41 CCCC(C)OCC1CCC(=O)O1 1fda352d711737c9750be03a575cfd8b [0,1,0,1,0,0|1,0,0]=3 24537 B13R1.41 CCCC(C)OC[C@@H]1CCC(=O)C1 939e310a791bc1914555674074b95292 [0,1,0,1,0,0|2,0,0]=4 24538 B13R1.41 CCCC(C)OC[C@@H]1CCC(=O)N1 9cae08dbc66e04ce59b850d546d8ec9e [0,1,0,1,0,0|2,0,0]=4 24539 B13R1.41 CCCC(C)OC[C@@H]1CCC(=O)O1 e11df9cbd86a9e9a8508b0f0d4b29401 [0,1,0,1,0,0|1,0,0]=3 24540 B13R1.41 CCCC(C)OC[C@H]1CCC(=O)N1 bec8910aad70f0ee8a377685fc099a3a [0,1,0,1,0,0|2,0,0]=4 24541 B13R1.41 CCCC(C)OC[C@H]1CCC(=O)O1 3c02261bab209e885af9ba98a5b862ec [0,1,0,1,0,0|1,0,0]=3 24542 B13R1.41 CCC[C@@H](C)OCC1CCC(=O)N1 146b5520d75987b56d8003c8f64e8100 [0,1,0,1,0,0|2,0,0]=4 24543 B13R1.41 CCC[C@@H](C)OCC1CCC(=O)O1 ed928e9d4b095f1e8bc6fd7bef0c0cef [0,1,0,1,0,0|1,0,0]=3 24544 B13R1.41 CCC[C@@H](C)OC[C@@H]1CCC(=O)N1 955d01284a1a7d736377d3ff8e021665 [0,1,0,1,0,0|2,0,0]=4 24545 B13R1.41 CCC[C@@H](C)OC[C@H]1CCC(=O)N1 11680d3dbeacf7aa45824b315a13e887 [0,1,0,1,0,0|2,0,0]=4 24546 B13R1.41 CCC[C@H](C)NCC1CCC(=O)N1 19fcc0e91d6850397aa7087ecfc6e6cb [0,1,0,1,0,0|2,0,0]=4 24547 B13R1.41 CCC[C@H](C)NCC1CCC(=O)O1 c7816b5c2fd550aefcde0408e1474870 [0,1,0,1,0,0|1,0,0]=3 24548 B13R1.41 CCC[C@H](C)NC[C@@H]1CCC(=O)N1 892e905d3d0e0324ff7c8f097d8f3e41 [0,1,0,1,0,0|2,0,0]=4 24549 B13R1.41 CCC[C@H](C)NC[C@H]1CCC(=O)N1 5b96a43fea1dd469fb82d78de5227833 [0,1,0,1,0,0|2,0,0]=4 24550 B13R1.41 CCC[C@H](C)OCC1CCC(=O)N1 5bb144bc3bb0ffe92c2a3e564c8d64f0 [0,1,0,1,0,0|2,0,0]=4 24551 B13R1.41 CCC[C@H](C)OCC1CCC(=O)O1 c442df5a266a3148fa4aa44fee79f4cc [0,1,0,1,0,0|1,0,0]=3 24552 B13R1.41 CCC[C@H](C)OC[C@@H]1CCC(=O)N1 a4e453515472bc3d8f8cdb7e4298b12d [0,1,0,1,0,0|2,0,0]=4 24553 B13R1.41 CCC[C@H](C)OC[C@H]1CCC(=O)N1 8a2848798d0b379116bce97cc4770dde [0,1,0,1,0,0|2,0,0]=4 24554 B13R1.41 COCC(C)NCC1CCC(=O)O1 bef0f491960dc435731d1cf5b7e3bba6 [0,1,0,1,0,0|2,0,0]=4 24555 B13R1.41 COCC(C)OCC1CCC(=O)O1 74fe53dd3841d6a5b6aa3ca4f43fff79 [0,1,0,1,0,0|2,0,0]=4 24556 B13R1.41 COCC(C)OC[C@@H]1CCC(=O)O1 1e8b5a724c08e1961b996c5ce2d23821 [0,1,0,1,0,0|2,0,0]=4 24557 B13R1.41 COCC(C)OC[C@H]1CCC(=O)O1 423676237c8a58648504bbb579ce104c [0,1,0,1,0,0|2,0,0]=4 24558 B13R1.41 COC[C@@H](C)NCC1CCC(=O)O1 c4301b7a580dcb42c3c03e79b07e9026 [0,1,0,1,0,0|2,0,0]=4 24559 B13R1.41 COC[C@@H](C)OCC1CCC(=O)O1 caf984a1649b8ae8ae8e7fc479d3bc3d [0,1,0,1,0,0|2,0,0]=4 24560 B13R1.41 COC[C@H](C)NCC1CCC(=O)O1 9cc245467d7fac614090572bf84b37b0 [0,1,0,1,0,0|2,0,0]=4 24561 B13R1.41 COC[C@H](C)OCC1CCC(=O)O1 9c4ef3551a2bf0217ba8c69396415ddc [0,1,0,1,0,0|2,0,0]=4 24562 B13R1.41 CSCC(C)OCC1CCC(=O)O1 1b9c5cd624d37ea00a8e8e9d5402ac01 [0,1,0,1,0,0|2,0,0]=4 24563 B13R1.41 C[C@@H](CCO)NCC1CCC(=O)O1 b4f3327a8a16bbb90fd9b43ba92b0b6c [0,1,0,1,0,0|2,0,0]=4 24564 B13R1.41 C[C@H](CCO)NCC1CCC(=O)O1 d4560cad2eeb39af0a379906e6966f2c [0,1,0,1,0,0|2,0,0]=4 24565 B13R1.115 CC1CCCN(C1CO)CC(=O)O eb29cbe9d7dabf39ceaa5a2c7ad63925 [0,1,0,1,0,0|2,0,0]=4 24566 B13R1.164 CC(=O)CCN1CCC(CC1C)C 0ebc6839878742121d966503e9711e5e [0,1,0,1,0,0|2,0,0]=4 24567 B13R1.164 CC(=O)CCN1CCC(CC1C)O d20d1d6ce091b864cd7e0200a1bbd4b1 [0,1,0,1,0,0|2,0,0]=4 24568 B13R1.164 CC(=O)CCN1CC[C@@H](C[C@@H]1C)C 4959e5aabee3132847fce0bc3256c014 [0,1,0,1,0,0|2,0,0]=4 24569 B13R1.164 CC(=O)CCN1CC[C@@H](C[C@H]1C)O 6e1ab109bdf72588e2df21f6b5b64970 [0,1,0,1,0,0|2,0,0]=4 24570 B13R1.164 CC(=O)CCN1CC[C@H](C[C@H]1C)C b46ac27c01a70f0efdef2902b0b0f368 [0,1,0,1,0,0|2,0,0]=4 24571 B13R1.164 CC(=O)CCN1CC[C@H](C[C@H]1C)O 853be69c4cea69de4d64e41f9151d7f4 [0,1,0,1,0,0|2,0,0]=4 24572 B13R1.164 CC1CC(=O)CCC1OCC(=O)O 46c288963535a06556edf84619d0e7fa [0,1,0,1,0,0|1,0,1]=4 24573 B13R1.164 CC1CC(CCN1CCC(=O)N)O f1c0de2c73a32a352a4ffc0ad94a1d47 [0,1,0,1,0,0|2,0,0]=4 24574 B13R1.164 CC1CC(CCN1CCC(=O)O)O d76005f36a044f61b0b6155b0c0eea11 [0,1,0,1,0,0|1,0,0]=3 24575 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N c9c25e060be75f2ca3c40dd5f1cd581d [0,1,0,1,0,0|2,0,0]=4 24576 B13R1.164 CC1CCC(C(C1)C)OCC(=O)O d979f381d5599d407fd761bfe9fda952 [0,1,0,1,0,0|1,0,0]=3 24577 B13R1.164 CC1CCN(C(C1)C)CCC(=O)N 3510ccab7b51fe3c79488303107eef3b [0,1,0,1,0,0|2,0,0]=4 24578 B13R1.164 CC1CCN(C(C1)C)CCC(=O)O 4538f6a674c9b1b800d5dac5b7a97a14 [0,1,0,1,0,0|1,0,0]=3 24579 B13R1.164 CC1CN(CCN1CCC(=O)O)C 34cdef8a782e75122a59a7f9c375f6c6 [0,1,0,1,0,0|2,0,0]=4 24580 B13R1.164 C[C@@H]1CCN([C@@H](C1)C)CCC(=O)N 1c97647e9a317a980655d6fb22d2202e [0,1,0,1,0,0|2,0,0]=4 24581 B13R1.164 C[C@@H]1CCN([C@@H](C1)C)CCC(=O)O 089c2eeefc67586742deb505e6d883b9 [0,1,0,1,0,0|1,0,0]=3 24582 B13R1.164 C[C@@H]1CN(CCN1CCC(=O)O)C 7d7d8f79bc1d934a0e97df51173fe48e [0,1,0,1,0,0|2,0,0]=4 24583 B13R1.164 C[C@@H]1CN(CC[C@H]1NCC(=O)O)C dff584e042e59a0f7f5ae5a928c11e51 [0,1,0,1,0,0|2,0,0]=4 24584 B13R1.164 C[C@@H]1C[C@@H](CCN1CCC(=O)N)O 0d1837c85ba105924e440cd1d5065fb2 [0,1,0,1,0,0|2,0,0]=4 24585 B13R1.164 C[C@@H]1C[C@@H](CCN1CCC(=O)O)O cde8a6c45baa4ed6a93480caad563756 [0,1,0,1,0,0|1,0,0]=3 24586 B13R1.164 C[C@@H]1C[C@H](CCN1CCC(=O)N)O 1d33ee519e55a2ed3514abdd3d88d480 [0,1,0,1,0,0|2,0,0]=4 24587 B13R1.164 C[C@@H]1C[C@H](CCN1CCC(=O)O)O 829accf15ff21c3dae1a5fcc9e649833 [0,1,0,1,0,0|1,0,0]=3 24588 B13R1.164 C[C@H]1CCN([C@H](C1)C)CCC(=O)N fec76db38f4771d06a6ab4834e6fdf57 [0,1,0,1,0,0|2,0,0]=4 24589 B13R1.164 C[C@H]1CCN([C@H](C1)C)CCC(=O)O 4616d030635cc1eb32a7a86357e27993 [0,1,0,1,0,0|1,0,0]=3 24590 B13R1.164 C[C@H]1CN(CCN1CCC(=O)O)C 880e9c7eff621cef5eb66f713bb395b4 [0,1,0,1,0,0|2,0,0]=4 24591 B13R1.164 C[C@H]1CN(CC[C@H]1NCC(=O)O)C 331fa35ae4e42dfd558178fa9a7a4c17 [0,1,0,1,0,0|2,0,0]=4 24592 B13R1.462 CC(CCO)CNCC1CC(=O)O1 ba1511190a30a31164aa217e2830ac22 [0,1,0,1,0,0|2,0,0]=4 24593 B13R1.462 CCCC(C)COCC1CC(=O)C1 62a6b8bbcd25a023b17041f004d8e085 [0,1,0,1,0,0|2,0,0]=4 24594 B13R1.462 CCCC(C)COCC1CC(=O)N1 ba46012315c172c9490a8ac8c8fd9c98 [0,1,0,1,0,0|2,0,0]=4 24595 B13R1.462 CCCC(C)COCC1CC(=O)O1 6ee3b12d665589bee402ef609feed566 [0,1,0,1,0,0|1,0,0]=3 24596 B13R1.462 CCCC(C)COC[C@@H]1CC(=O)N1 d2e758bffd53da474c80f5e6842e4e8b [0,1,0,1,0,0|2,0,0]=4 24597 B13R1.462 CCCC(C)COC[C@H]1CC(=O)N1 68ad556f807cfd8dc003712a68b32e57 [0,1,0,1,0,0|2,0,0]=4 24598 B13R1.462 CCCC(O)CNCC1CC(=O)C1 d76d3a96949f206aa4c8321a06aa55e8 [0,1,0,1,0,0|2,0,0]=4 24599 B13R1.462 CCCC(O)CNCC1CC(=O)N1 c2accbf79a486235f4e5e3974a422a9c [0,1,0,1,0,0|2,0,0]=4 24600 B13R1.462 CCCC(O)CNCC1CC(=O)O1 57faf195f51e9de3a663c1efad9190bd [0,1,0,1,0,0|1,0,0]=3 24601 B13R1.462 CCCC(S)CCOC1CC(=O)C1 c3f0554e288b83c6719d7a4c05370633 [0,1,0,1,0,0|2,0,0]=4 24602 B13R1.462 CCOC(C)CNCC1CC(=O)O1 3d75d9f5d7c7ba32c7905eb0e12a1a96 [0,1,0,1,0,0|2,0,0]=4 24603 B13R1.462 COCC(C)COCC1CC(=O)O1 3f33b68b3e01e4f030ca1b7ca9bb7aa3 [0,1,0,1,0,0|2,0,0]=4 24604 B13R1.462 COCC(O)CNCC1CC(=O)O1 c4195d784a3fc9c21b482cf1ccdfcd8e [0,1,0,1,0,0|2,0,0]=4 24605 B13R1.462 COC[C@@H](O)CNCC1CC(=O)O1 8b3097493f2e61a151d1428bb1e1155a [0,1,0,1,0,0|2,0,0]=4 24606 B13R1.462 COC[C@H](C)COCC1CC(=O)O1 956473f0e5d15260c9bb3c0af53e1e5b [0,1,0,1,0,0|2,0,0]=4 24607 B13R1.467 CC(CCO)N1CCCC1C(=O)O 10d47a90a9eca4ecca740495a7bdd22e [0,1,0,1,0,0|2,0,0]=4 24608 B13R1.467 CC(CCO)N1CCC[C@@H]1C(=O)O 884a5b6969ed7a53fa2216c2f2928f24 [0,1,0,1,0,0|2,0,0]=4 24609 B13R1.467 CC(CCO)N1CCC[C@H]1C(=O)O 7c1922cd53beb5b0e463aa38ee393f87 [0,1,0,1,0,0|2,0,0]=4 24610 B13R1.467 CCCC(C)N1CCCC1C(=O)N bb45db2eb0dd8eefd49d0ceb66c7126f [0,1,0,1,0,0|2,0,0]=4 24611 B13R1.467 CCCC(C)N1CCCC1C(=O)O bf105b02bb9f9f28fea12e9c859b028d [0,1,0,1,0,0|1,0,0]=3 24612 B13R1.467 CCCC(C)N1CCC[C@@H]1C(=O)N e14401487032197965276702eabba59c [0,1,0,1,0,0|2,0,0]=4 24613 B13R1.467 CCCC(C)N1CCC[C@@H]1C(=O)O 70f3824110b0d871adfa1c2fc75b5563 [0,1,0,1,0,0|1,0,0]=3 24614 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)N 5b1da460d1fbfeadca86438c2e69036d [0,1,0,1,0,0|2,0,0]=4 24615 B13R1.467 CCCC(C)N1CCC[C@H]1C(=O)O 55046dd31e9dc3faadcda162af37e4da [0,1,0,1,0,0|1,0,0]=3 24616 B13R1.467 CCCC(C)N1CCSC1C(=O)O 2038481e4d67c29bec8a775fcc49bb2d [0,1,0,1,0,0|2,0,0]=4 24617 B13R1.467 CCCC(C)N1CSCC1C(=O)O e957f4a887498ae65e27c4b97e2fe1bb [0,1,0,1,0,0|2,0,0]=4 24618 B13R1.467 CCCC(C)N1CSC[C@@H]1C(=O)O d9ff2ff6f4900fb5dc79417a48f2b86d [0,1,0,1,0,0|2,0,0]=4 24619 B13R1.467 CCCC(C)N1CSC[C@H]1C(=O)O b47b686a9d3df4d0385b5dd4a0978a80 [0,1,0,1,0,0|2,0,0]=4 24620 B13R1.467 COCC(C)N1CCCC1C(=O)O 68f2f72bf034e320e2777ae4483c8d1b [0,1,0,1,0,0|2,0,0]=4 24621 B13R1.467 COCC(C)N1CCC[C@@H]1C(=O)O e425ea3792128d21f3b5782615929f48 [0,1,0,1,0,0|2,0,0]=4 24622 B13R1.467 COCC(C)N1CCC[C@H]1C(=O)O a10a69b67c526b4169cb4b29a4b6a356 [0,1,0,1,0,0|2,0,0]=4 24623 B13R1.1080 CC(=O)CCCCCN(C)C1CC1 5b7a31f9ccdfe4f140ed3596bc340d03 [0,1,0,1,0,0|2,0,0]=4 24624 B13R1.1080 CC(=O)CCCCN[C@@H](C)C1CC1 a0d35fbbdf77dd4b28ab77afe21f6f0b [0,1,0,1,0,0|2,0,0]=4 24625 B13R1.1080 CC(=O)CCCCN[C@H](C)C1CC1 51e407b70f1b518e4134c4abb587db29 [0,1,0,1,0,0|2,0,0]=4 24626 B13R1.1080 CC(=O)CCCCOC(C)C1CC1 2f95fe0251d9efccdff2b75d2687d95a [0,1,0,1,0,0|2,0,0]=4 24627 B13R1.1080 CC(=O)CCCCO[C@@H](C)C1CC1 743e41ba61ee0ac14099d19f56a38363 [0,1,0,1,0,0|2,0,0]=4 24628 B13R1.1080 CC(=O)CCCCO[C@H](C)C1CC1 a56b4d7960adec16a6a2de7453a8bc72 [0,1,0,1,0,0|2,0,0]=4 24629 B13R1.1080 CC(=O)CCCNCC(O)C1CC1 de9a1e3d80b981511b324fcdcf04f9bc [0,1,0,1,0,0|2,0,0]=4 24630 B13R1.1080 CC(=O)CCCOCC(C)C1CC1 2ec82d582f0300b4f58a69b2b1002de7 [0,1,0,1,0,0|2,0,0]=4 24631 B13R1.1080 CC(COCCCC(=O)N)C1CC1 63ded5193de0a4c12a9554b4561237fe [0,1,0,1,0,0|2,0,0]=4 24632 B13R1.1080 CC(NCCCCC(=O)N)C1CC1 5a139f365a2a9db0030acb97518981c0 [0,1,0,1,0,0|2,0,0]=4 24633 B13R1.1080 CC(NCCOCC(=O)O)C1CC1 dc9a4c6a2304394bf1f4491444c602fa [0,1,0,1,0,0|2,0,0]=4 24634 B13R1.1080 CC(OCCCCC(=O)N)C1CC1 ca5cafabfbb5ec0795f95d6440607db5 [0,1,0,1,0,0|2,0,0]=4 24635 B13R1.1080 CC(OCCOCC(=O)O)C1CC1 575c16528bb553e8c1748a64ed53c261 [0,1,0,1,0,0|2,0,0]=4 24636 B13R1.1080 CN(CCCCCC(=O)N)C1CC1 1b41b1fb40fb2901a968d8873ccd22d3 [0,1,0,1,0,0|2,0,0]=4 24637 B13R1.1080 CN(CCCOCC(=O)O)C1CC1 54ce11371410b3bd9d0408246487a5b9 [0,1,0,1,0,0|2,0,0]=4 24638 B13R1.1080 CN(CCOCCC(=O)O)C1CC1 0e31a2afb4185845757d86d8dd6bcc6b [0,1,0,1,0,0|2,0,0]=4 24639 B13R1.1080 C[C@@H](NCCCCC(=O)N)C1CC1 34290ff8da785edb06961ad3ce00a9d2 [0,1,0,1,0,0|2,0,0]=4 24640 B13R1.1080 C[C@@H](NCCCCC(=O)O)C1CC1 947a6721305322162f6e1beced3219a6 [0,1,0,1,0,0|1,0,0]=3 24641 B13R1.1080 C[C@@H](NCCOCC(=O)O)C1CC1 be6593fe38d4e55a9f370f85b69f8512 [0,1,0,1,0,0|2,0,0]=4 24642 B13R1.1080 C[C@@H](OCCCCC(=O)N)C1CC1 06b2fd16a9a76dd6b27e0025496c1a87 [0,1,0,1,0,0|2,0,0]=4 24643 B13R1.1080 C[C@@H](OCCOCC(=O)O)C1CC1 4b0b6eba73236dcf66cf61d9c4e619b2 [0,1,0,1,0,0|2,0,0]=4 24644 B13R1.1080 C[C@H](NCCCCC(=O)N)C1CC1 bfeff2a9b4fb8d4054477ef5324fa998 [0,1,0,1,0,0|2,0,0]=4 24645 B13R1.1080 C[C@H](NCCCCC(=O)O)C1CC1 e54d1970562cef80bfdfb161b12098ea [0,1,0,1,0,0|1,0,0]=3 24646 B13R1.1080 C[C@H](NCCOCC(=O)O)C1CC1 e123672fe746ba11232387abc41a7502 [0,1,0,1,0,0|2,0,0]=4 24647 B13R1.1080 C[C@H](OCCCCC(=O)N)C1CC1 3836a7ea615db65b28b0c7caaab3982f [0,1,0,1,0,0|2,0,0]=4 24648 B13R1.1080 C[C@H](OCCOCC(=O)O)C1CC1 18b1f2fe88914aec12023b4514d067fb [0,1,0,1,0,0|2,0,0]=4 24649 B13R1.1080 NC(=O)CCCNCC(O)C1CC1 4b8c71ca5fdd4349edfa9771a27df316 [0,1,0,1,0,0|2,0,0]=4 24650 B13R1.1080 O=C(O)CCCNCC(=O)C1CC1 3de4635e75bc0573636ffd3373f0c76f [0,1,0,1,0,0|1,0,1]=4 24651 B13R1.1080 O=C(O)CCCNCC(O)C1CC1 1b97e76b02c52d4b3e677fa275a3e9fe [0,1,0,1,0,0|1,0,0]=3 24652 B13R1.1474 CC(CCO)N[C@H]1CC[C@H]1C(=O)O e06eeed82296893730ec11f41e778d81 [0,1,0,1,0,0|2,0,0]=4 24653 B13R1.1474 CCCC(=O)CN1CCC1C(=O)O a7a7bff4ba8bd8eaa10510c21890b68e [0,1,0,1,0,0|1,0,1]=4 24654 B13R1.1474 CCCC(=O)CN1CC[C@@H]1C(=O)O 0b8a406d8553e9c16088fed5eca4d696 [0,1,0,1,0,0|1,0,1]=4 24655 B13R1.1474 CCCC(=O)CN1CC[C@H]1C(=O)O c3e6071645d7cc6c608d706475158ced [0,1,0,1,0,0|1,0,1]=4 24656 B13R1.1474 CCCC(C)CN1CCC1C(=O)N b491392d03bee114a74f4d9e5e88a789 [0,1,0,1,0,0|2,0,0]=4 24657 B13R1.1474 CCCC(C)CN1CCC1C(=O)O 529b7a83547f5478bb65b705a2c2df3d [0,1,0,1,0,0|1,0,0]=3 24658 B13R1.1474 CCCC(C)CN1CC[C@@H]1C(=O)N 85a91219f6c5fb0b7a4f165740e7c0a9 [0,1,0,1,0,0|2,0,0]=4 24659 B13R1.1474 CCCC(C)CN1CC[C@@H]1C(=O)O b653065fd3e9e217762b9093121b69da [0,1,0,1,0,0|1,0,0]=3 24660 B13R1.1474 CCCC(C)CN1CC[C@H]1C(=O)N 748e6dd40b1c2ce7fcbedd3eec834718 [0,1,0,1,0,0|2,0,0]=4 24661 B13R1.1474 CCCC(C)CN1CC[C@H]1C(=O)O ae1a7d7baee646602108ac5641887542 [0,1,0,1,0,0|1,0,0]=3 24662 B13R1.1474 CCCC(C)N[C@H]1CC[C@H]1C(=O)O bc7a86e0f89dbeb571f819d72212bac4 [0,1,0,1,0,0|1,0,0]=3 24663 B13R1.1474 CCCC(C)OC1CCC1C(=O)O 9586a9113404e4424fc98a88639a52c6 [0,1,0,1,0,0|1,0,0]=3 24664 B13R1.1474 CCCC(C)O[C@H]1CC[C@@H]1C(=O)O 5e6a546b4a721d2004480d1cc8a062be [0,1,0,1,0,0|1,0,0]=3 24665 B13R1.1474 COCC(C)N[C@H]1CC[C@H]1C(=O)O cbad522d1e1e3ed1e9222fb0e968d615 [0,1,0,1,0,0|2,0,0]=4 24666 B13R1.1474 COCC(C)OC1CCC1C(=O)O 5558d7d5366c91343bd253c7a46c1a78 [0,1,0,1,0,0|2,0,0]=4 24667 B13R1.1474 COCC(C)O[C@H]1CC[C@@H]1C(=O)O 96a0d22c36def4b5aa0a3e8a6ed7a04f [0,1,0,1,0,0|2,0,0]=4 24668 B13R1.1474 COCC(O)CN1CCC1C(=O)O 6e0c452f913a6603957854fb12f39a0a [0,1,0,1,0,0|2,0,0]=4 24669 B13R1.1474 COCC(O)CN1CC[C@@H]1C(=O)O fb40bf5daa2bf2f7836940824910dbd5 [0,1,0,1,0,0|2,0,0]=4 24670 B13R1.1474 COCC(O)CN1CC[C@H]1C(=O)O dd6e5ca3655236ca1a55e04b13094a10 [0,1,0,1,0,0|2,0,0]=4 24671 B13R1.1474 O=C(O)C1CCN1C[C@@H](O)CCO 94e951d89fce795edab2803568872035 [0,1,0,1,0,0|2,0,0]=4 24672 B13R1.1474 O=C(O)[C@@H]1CCN1C[C@@H](O)CCO 81025514a43af1609e0041e089bc0fb9 [0,1,0,1,0,0|2,0,0]=4 24673 B13R1.1474 O=C(O)[C@H]1CCN1C[C@@H](O)CCO 4469bfbecb6440adafefaedf3a0d2392 [0,1,0,1,0,0|2,0,0]=4 24674 B13R1.1480 CC(CCO)CN[C@@H]1C[C@@H]1C(=O)O 82b895fa4422771bf33f40b7ce475ac7 [0,1,0,1,0,0|2,0,0]=4 24675 B13R1.1480 CC(CCO)CN[C@H]1C[C@@H]1C(=O)O 66cc30b2a40c70c91731ee8ce4a433e3 [0,1,0,1,0,0|2,0,0]=4 24676 B13R1.1480 CC(CCO)CN[C@H]1C[C@H]1C(=O)O c334aa3b95c9500574f61236298b5e1e [0,1,0,1,0,0|2,0,0]=4 24677 B13R1.1480 CC(CCO)NCC1CC1C(=O)O 822e7cf4fdcae4fef43ec870c18cab1a [0,1,0,1,0,0|2,0,0]=4 24678 B13R1.1480 CC(CCO)NC[C@@H]1C[C@H]1C(=O)O 519985c74b1243ff2ec24db2a3e98a69 [0,1,0,1,0,0|2,0,0]=4 24679 B13R1.1480 CCCC(=S)OCC1CC1C(=O)O 182c9698d383d3d69a14c342b85c9bb8 [0,1,0,1,0,0|1,0,1]=4 24680 B13R1.1480 CCCC(=S)OC[C@@H]1C[C@H]1C(=O)O 35340e1a0379fd014bc0cf9474cdef12 [0,1,0,1,0,0|1,0,1]=4 24681 B13R1.1480 CCCC(C)CO[C@@H]1C[C@@H]1C(=O)O 8e50b354e0e93dd6161aa0151d388aea [0,1,0,1,0,0|1,0,0]=3 24682 B13R1.1480 CCCC(C)CO[C@H]1C[C@@H]1C(=O)O 96279537ac0aa77af79ec0973c059dcd [0,1,0,1,0,0|1,0,0]=3 24683 B13R1.1480 CCCC(C)CO[C@H]1C[C@H]1C(=O)O 5adb7ac3ab70b70ef0df349bbc15aa6c [0,1,0,1,0,0|1,0,0]=3 24684 B13R1.1480 CCCC(C)NCC1CC1C(=O)O cabe5f809bc09dcddf1b570e9679c73f [0,1,0,1,0,0|1,0,0]=3 24685 B13R1.1480 CCCC(C)NC[C@@H]1C[C@H]1C(=O)O 72d81971d508e5ab0fdc3f09176e5e23 [0,1,0,1,0,0|1,0,0]=3 24686 B13R1.1480 CCCC(C)OCC1CC1C(=O)O bac63af69c061d8bdb9d492773f4b4ce [0,1,0,1,0,0|1,0,0]=3 24687 B13R1.1480 CCCC(C)OC[C@@H]1C[C@H]1C(=O)O 36b64f5788f7e06e8225e9f9ba9b98fb [0,1,0,1,0,0|1,0,0]=3 24688 B13R1.1480 CCCC(C)OC[C@H]1C[C@@H]1C(=O)O a33105876d5f3c29fc64f32a9eca7418 [0,1,0,1,0,0|1,0,0]=3 24689 B13R1.1480 CCCC(C)OC[C@H]1C[C@H]1C(=O)O 716a4d0d3fcba7df4d73299baa016ae0 [0,1,0,1,0,0|1,0,0]=3 24690 B13R1.1480 CCCC(O)CN[C@@H]1C[C@@H]1C(=O)O f5c30fbb19b582042d26f8bacbdb03b3 [0,1,0,1,0,0|1,0,0]=3 24691 B13R1.1480 CCCC(O)CN[C@H]1C[C@@H]1C(=O)O 1efd0ac482ae340e2bc8baecaec83385 [0,1,0,1,0,0|1,0,0]=3 24692 B13R1.1480 CCCC(O)CN[C@H]1C[C@H]1C(=O)O a637b84a3a9a9f4337401e321d6d7531 [0,1,0,1,0,0|1,0,0]=3 24693 B13R1.1480 CCC[C@@H](C)OCC1CC1C(=O)O b5d3079981758b2df600df148ae5d65d [0,1,0,1,0,0|1,0,0]=3 24694 B13R1.1480 CCC[C@@H](C)OC[C@@H]1C[C@H]1C(=O)O 1ea4bd4659f50e2d5efdcfdc8e0f735d [0,1,0,1,0,0|1,0,0]=3 24695 B13R1.1480 CCC[C@H](C)NCC1CC1C(=O)O 47e15cb6b7def8e38dacc0c12304e132 [0,1,0,1,0,0|1,0,0]=3 24696 B13R1.1480 CCC[C@H](C)NC[C@@H]1C[C@H]1C(=O)O 7c1da055f239299dd47b3b9f1963bf99 [0,1,0,1,0,0|1,0,0]=3 24697 B13R1.1480 CCC[C@H](C)OCC1CC1C(=O)O e7815fdc9c2ff428bb488373c75fd51a [0,1,0,1,0,0|1,0,0]=3 24698 B13R1.1480 CCC[C@H](C)OC[C@@H]1C[C@H]1C(=O)O 470cd424c3a1553a14bf4a7f8dcb4816 [0,1,0,1,0,0|1,0,0]=3 24699 B13R1.1480 CCOC(C)CN[C@@H]1C[C@@H]1C(=O)O 8a7f6ead312cbbb06361fccf0c3b000a [0,1,0,1,0,0|2,0,0]=4 24700 B13R1.1480 CCOC(C)CN[C@H]1C[C@@H]1C(=O)O 1b37ab70be2027c403d0c0945097560b [0,1,0,1,0,0|2,0,0]=4 24701 B13R1.1480 CCOC(C)CN[C@H]1C[C@H]1C(=O)O 9947cb58648a30236dcf16e582363e4a [0,1,0,1,0,0|2,0,0]=4 24702 B13R1.1480 CCOC(C)CO[C@@H]1C[C@@H]1C(=O)O 03f3a7ea5f56a4a8309af3daff376b7d [0,1,0,1,0,0|2,0,0]=4 24703 B13R1.1480 CCOC(C)CO[C@H]1C[C@@H]1C(=O)O 802e9ea4b738182ba421f7b6c6e0146d [0,1,0,1,0,0|2,0,0]=4 24704 B13R1.1480 CCOC(C)CO[C@H]1C[C@H]1C(=O)O a252aa9c6220aef03082336028fa9c78 [0,1,0,1,0,0|2,0,0]=4 24705 B13R1.1480 COCC(C)CO[C@@H]1C[C@@H]1C(=O)O 6715a3e332f75037a117e08b6892e865 [0,1,0,1,0,0|2,0,0]=4 24706 B13R1.1480 COCC(C)CO[C@H]1C[C@@H]1C(=O)O 04168110cfd9fe17ee6eb18ffcc19398 [0,1,0,1,0,0|2,0,0]=4 24707 B13R1.1480 COCC(C)CO[C@H]1C[C@H]1C(=O)O bb21908f0c518be26840ca8c7cbd447b [0,1,0,1,0,0|2,0,0]=4 24708 B13R1.1480 COCC(C)NCC1CC1C(=O)O ac0d0d09843b02f63a316bdbc690e40b [0,1,0,1,0,0|2,0,0]=4 24709 B13R1.1480 COCC(C)NC[C@@H]1C[C@H]1C(=O)O 999771d5032328158f03d58d6feb6502 [0,1,0,1,0,0|2,0,0]=4 24710 B13R1.1480 COCC(C)OCC1CC1C(=O)O 843cf178a6a8f3179fd0fbe8e09cc2aa [0,1,0,1,0,0|2,0,0]=4 24711 B13R1.1480 COCC(C)OC[C@@H]1C[C@H]1C(=O)O 59cb3ba3316db7051490c9b7af575ae7 [0,1,0,1,0,0|2,0,0]=4 24712 B13R1.1480 COCC(C)OC[C@H]1C[C@@H]1C(=O)O 741c5eebba5cb7a50125eb990005a561 [0,1,0,1,0,0|2,0,0]=4 24713 B13R1.1480 COCC(C)OC[C@H]1C[C@H]1C(=O)O 300a454d28866c0f7547f75d5a8c5e56 [0,1,0,1,0,0|2,0,0]=4 24714 B13R1.1480 COCC(O)CN[C@@H]1C[C@@H]1C(=O)O 666b061fafa4463b18699f2a62a2e133 [0,1,0,1,0,0|2,0,0]=4 24715 B13R1.1480 COCC(O)CN[C@H]1C[C@@H]1C(=O)O eca6e30ab54ded809b1db4695d052580 [0,1,0,1,0,0|2,0,0]=4 24716 B13R1.1480 COCC(O)CN[C@H]1C[C@H]1C(=O)O 3d26d4cea71e25d9c1b0b61e533fd479 [0,1,0,1,0,0|2,0,0]=4 24717 B13R1.1480 COC[C@@H](C)NCC1CC1C(=O)O e054c473aa3c37cb4160198fc37f1001 [0,1,0,1,0,0|2,0,0]=4 24718 B13R1.1480 COC[C@@H](C)NC[C@@H]1C[C@H]1C(=O)O 675bee3933e829546920491ffcaba535 [0,1,0,1,0,0|2,0,0]=4 24719 B13R1.1480 COC[C@@H](C)OCC1CC1C(=O)O e5240d93f1e8cc61b302abb17fc046b5 [0,1,0,1,0,0|2,0,0]=4 24720 B13R1.1480 COC[C@@H](C)OC[C@@H]1C[C@H]1C(=O)O c7941c4ef0389f254a299475fd2f6da7 [0,1,0,1,0,0|2,0,0]=4 24721 B13R1.1480 COC[C@@H](O)CN[C@@H]1C[C@@H]1C(=O)O 78baffff0a11c649fd1ab08520da37e5 [0,1,0,1,0,0|2,0,0]=4 24722 B13R1.1480 COC[C@@H](O)CN[C@H]1C[C@@H]1C(=O)O dc83eff445d549ecc7cd57afa2c50ae5 [0,1,0,1,0,0|2,0,0]=4 24723 B13R1.1480 COC[C@@H](O)CN[C@H]1C[C@H]1C(=O)O 5b8ce446fe4c798ecfab266706e5add7 [0,1,0,1,0,0|2,0,0]=4 24724 B13R1.1480 COC[C@H](C)CO[C@@H]1C[C@@H]1C(=O)O 7fd8f3769e0b085c325a1ac09165f61b [0,1,0,1,0,0|2,0,0]=4 24725 B13R1.1480 COC[C@H](C)CO[C@H]1C[C@@H]1C(=O)O 5a4b64e900d9a1f6bdefb790cd211ebe [0,1,0,1,0,0|2,0,0]=4 24726 B13R1.1480 COC[C@H](C)CO[C@H]1C[C@H]1C(=O)O e52c73e35efccefb688e79cf916c9185 [0,1,0,1,0,0|2,0,0]=4 24727 B13R1.1480 COC[C@H](C)NCC1CC1C(=O)O 8ffc6e0d60e9a632bf4ea1bc9a830ebb [0,1,0,1,0,0|2,0,0]=4 24728 B13R1.1480 COC[C@H](C)NC[C@@H]1C[C@H]1C(=O)O 06887723211f79b89729e8bd2df8d1de [0,1,0,1,0,0|2,0,0]=4 24729 B13R1.1480 COC[C@H](C)OCC1CC1C(=O)O 871c59aca2769093acfe1d38e5214be6 [0,1,0,1,0,0|2,0,0]=4 24730 B13R1.1480 COC[C@H](C)OC[C@@H]1C[C@H]1C(=O)O fbbd27394df047633f583960aed90b57 [0,1,0,1,0,0|2,0,0]=4 24731 B13R1.1480 CSCC(C)OCC1CC1C(=O)O 6bee898f055abb87a7b94ac04a458065 [0,1,0,1,0,0|2,0,0]=4 24732 B13R1.1480 CSCC(C)OC[C@@H]1C[C@H]1C(=O)O 9e2c4c4a2db9adb83cde2ea2f8c40706 [0,1,0,1,0,0|2,0,0]=4 24733 B13R1.1480 C[C@@H](CCO)NCC1CC1C(=O)O b100593d5d3a83e25319f47e4822cb73 [0,1,0,1,0,0|2,0,0]=4 24734 B13R1.1480 C[C@@H](CCO)NC[C@@H]1C[C@H]1C(=O)O f712de7a748138b16549d040381e64e0 [0,1,0,1,0,0|2,0,0]=4 24735 B13R1.1480 C[C@H](CCO)NCC1CC1C(=O)O a6abf6ed95bffbcd861cb8145cb7df8e [0,1,0,1,0,0|2,0,0]=4 24736 B13R1.1480 C[C@H](CCO)NC[C@@H]1C[C@H]1C(=O)O 0fed661607a58adcf13bc05ffaf51bed [0,1,0,1,0,0|2,0,0]=4 24737 B13R1.1518 CC(CCO)N1CCC1CC(=O)O 1a1c46193ce645a8131cf01ff5c83eaf [0,1,0,1,0,0|2,0,0]=4 24738 B13R1.1518 CCCC(C)N1CCC1CC(=O)O 01f64d6aa92ed34dcf0ead5a69a346de [0,1,0,1,0,0|1,0,0]=3 24739 B13R1.1518 COCC(C)N1CCC1CC(=O)O 102e90f0bae9d882dc91e96629194bb6 [0,1,0,1,0,0|2,0,0]=4 24740 B13R1.3485 CC(=O)CCCN1C[C@@H](C[C@@H]1C)F 991e9db5eaad9cb77b50a395204b2a9d [0,1,0,1,0,0|2,0,0]=4 24741 B13R1.3485 CC(=O)CCCN1C[C@@H](C[C@@H]1C)O 77210e83e909d812333eaf1d0f1dcfb9 [0,1,0,1,0,0|2,0,0]=4 24742 B13R1.3485 CC(=O)CCCN1C[C@@H](C[C@H]1C)F 6cbd7089b053d2067de76fb533b452f7 [0,1,0,1,0,0|2,0,0]=4 24743 B13R1.3485 CC(=O)CCCN1C[C@@H](C[C@H]1C)O 80c38a269bbfd72e351bc4da7eddaf85 [0,1,0,1,0,0|2,0,0]=4 24744 B13R1.3485 CC(=O)CCCN1C[C@H](C[C@@H]1C)F b8982ef2d3688250be71f7d47d246283 [0,1,0,1,0,0|2,0,0]=4 24745 B13R1.3485 CC(=O)CCCN1C[C@H](C[C@@H]1C)O 7ac641d6c73a841c80cfaeb9917ed732 [0,1,0,1,0,0|2,0,0]=4 24746 B13R1.3485 CC(=O)CCCN1C[C@H](C[C@H]1C)F 75b09200072746cb8150120fcd7b0737 [0,1,0,1,0,0|2,0,0]=4 24747 B13R1.3485 CC(=O)CCCN1C[C@H](C[C@H]1C)O 0af79c52e7431d67cb600fba7c83be5e [0,1,0,1,0,0|2,0,0]=4 24748 B13R1.3485 CN1C[C@@H](C[C@H]1COCC(=O)O)F 914156cb3ec1e22b3b70f33d908786a8 [0,1,0,1,0,0|2,0,0]=4 24749 B13R1.3485 CN1C[C@H](C[C@@H]1COCC(=O)O)F c3ac989c350abbfca218c95d66d05000 [0,1,0,1,0,0|2,0,0]=4 24750 B13R1.3485 CN1C[C@H](C[C@H]1COCC(=O)O)F b9e31d8fdcd07d13b2cf87f3bae5f6de [0,1,0,1,0,0|2,0,0]=4 24751 B13R1.3485 C[C@@H]1C[C@@H](CN1CCCC(=O)N)F 4e79ab634ecfc29c9e626aefbb7654cb [0,1,0,1,0,0|2,0,0]=4 24752 B13R1.3485 C[C@@H]1C[C@@H](CN1CCCC(=O)N)O 0d308632e4da7bfc9b119a8beb85bcb0 [0,1,0,1,0,0|2,0,0]=4 24753 B13R1.3485 C[C@@H]1C[C@H](CN1CCCC(=O)N)F 90acfadd564d772740c55ea5274da82a [0,1,0,1,0,0|2,0,0]=4 24754 B13R1.3485 C[C@@H]1C[C@H](CN1CCCC(=O)N)O 788adf2c35e3a31fcc97977a90081acc [0,1,0,1,0,0|2,0,0]=4 24755 B13R1.3485 C[C@H]1C[C@@H](CN1CCCC(=O)N)F 3e252af63d0b94606ddaa1a6a4b4f932 [0,1,0,1,0,0|2,0,0]=4 24756 B13R1.3485 C[C@H]1C[C@@H](CN1CCCC(=O)N)O 3135302d3bf65ad8ea9e70f1e2be0dbb [0,1,0,1,0,0|2,0,0]=4 24757 B13R1.3485 C[C@H]1C[C@H](CN1CCCC(=O)N)F 8b6a64fe5f335a451747df65e9901796 [0,1,0,1,0,0|2,0,0]=4 24758 B13R1.3485 C[C@H]1C[C@H](CN1CCCC(=O)N)O 372a75fb2063097362864e3d943218c5 [0,1,0,1,0,0|2,0,0]=4 24759 B13R1.3506 CC1CN(CCCN1CC(=O)O)C 46122c71eda7d5dc5ad476d5263da326 [0,1,0,1,0,0|2,0,0]=4 24760 B13R1.3506 C[C@@H]1CN(CCCN1CC(=O)O)C 283727e17802554a792be01545390ca6 [0,1,0,1,0,0|2,0,0]=4 24761 B13R1.3506 C[C@H]1CN(CCCN1CC(=O)O)C 28989828b204587f52beb8379f22a537 [0,1,0,1,0,0|2,0,0]=4 24762 B13R1.3854 CC(=O)CCCCN1C(CC1C)C ed508b978d253bd5e2ab1d4787eb0c8b [0,1,0,1,0,0|2,0,0]=4 24763 B13R1.3854 CC(=O)CCCCN1[C@@H](C[C@@H]1C)C 383110aeb9715cd90b7567b6a61f2015 [0,1,0,1,0,0|2,0,0]=4 24764 B13R1.3854 CC(=O)CCCCN1[C@@H](C[C@H]1C)C fc0ca2c3cfa4a0543103bd9cd93699c7 [0,1,0,1,0,0|2,0,0]=4 24765 B13R1.3854 CC(=O)CCCCN1[C@H](C[C@@H]1C)C b7a34a999f8a095fc47bac656c6bb006 [0,1,0,1,0,0|2,0,0]=4 24766 B13R1.3854 CC1CC(N1CCCCC(=O)N)C c5cfd3708a623ebaba042cb4cae5a3b9 [0,1,0,1,0,0|2,0,0]=4 24767 B13R1.3854 CC1CC(N1CCOCC(=O)O)C db37b1b84ce9815112c7ab18c4488183 [0,1,0,1,0,0|2,0,0]=4 24768 B13R1.3854 C[C@@H]1C[C@@H](N1CCCCC(=O)N)C 905bb6c7cc72511346d3e9ceebd0795e [0,1,0,1,0,0|2,0,0]=4 24769 B13R1.3854 C[C@@H]1C[C@@H](N1CCOCC(=O)O)C 06b8042fdc09a1986f397bdffb49308c [0,1,0,1,0,0|2,0,0]=4 24770 B13R1.3854 C[C@@H]1C[C@H](N1CCCCC(=O)N)C 85d6969100efec9984e4bb4eab42e1cf [0,1,0,1,0,0|2,0,0]=4 24771 B13R1.3854 C[C@@H]1C[C@H](N1CCOCC(=O)O)C 8b56e0efab527c46e09cd3e4c4c8fa07 [0,1,0,1,0,0|2,0,0]=4 24772 B13R1.3854 C[C@H]1C[C@@H](N1CCCCC(=O)N)C 11aa94b0c18110bcad7ff44a3ce06d47 [0,1,0,1,0,0|2,0,0]=4 24773 B13R1.3854 C[C@H]1C[C@@H](N1CCOCC(=O)O)C 22597fd1aa73baafe007304edc790410 [0,1,0,1,0,0|2,0,0]=4 24774 B13R1.8670 CC(=O)CCCCNC1(CCC1)C 498e3af8f479cf09932259067a2d5524 [0,1,0,1,0,0|2,0,0]=4 24775 B13R1.8670 CC(=O)CCCNCC1(CCC1)O 176449621611c5ddb6ab7a4942702f40 [0,1,0,1,0,0|2,0,0]=4 24776 B13R1.8670 CC(=O)CCCOCC1(CCC1)C 6af98df06ae268c7ac0d70b25da0350c [0,1,0,1,0,0|2,0,0]=4 24777 B13R1.8670 CC(=O)CCCOCC1(CCC1)F 316297a3c494bae79154e75d81fdfdc4 [0,1,0,1,0,0|2,0,0]=4 24778 B13R1.8670 CC(=O)CCNCCC1(CCC1)O b23b27b4ab0034d5bf8f17510316d517 [0,1,0,1,0,0|2,0,0]=4 24779 B13R1.8670 CC1(CCC1)CNCCCC(=O)N bda98938f5d6e7cbf028deb5b0bbef6d [0,1,0,1,0,0|2,0,0]=4 24780 B13R1.8670 CC1(CCC1)CNCCCC(=O)O 392b4af61438312b03687da58783ac02 [0,1,0,1,0,0|1,0,0]=3 24781 B13R1.8670 CC1(CCC1)COCCCC(=O)N 18060232295fd78c25bc1277641c7407 [0,1,0,1,0,0|2,0,0]=4 24782 B13R1.8670 CC1(CCC1)NCCCCC(=O)N 229473a9f668d6cb9a900a919b176aed [0,1,0,1,0,0|2,0,0]=4 24783 B13R1.8670 CC1(CCC1)NCCCCC(=O)O 7c2cb713a6907d2b79c0ad64c54ec409 [0,1,0,1,0,0|1,0,0]=3 24784 B13R1.8670 CC1(CCC1)NCCOCC(=O)O 9882e640ceddf53f2add453bce3595e2 [0,1,0,1,0,0|2,0,0]=4 24785 B13R1.8670 CC1(COC1)CNCCCC(=O)O 6a5a010911d5e848382596551f5287e1 [0,1,0,1,0,0|2,0,0]=4 24786 B13R1.8670 CC1(COC1)NCCCCC(=O)O 722a0e9d245229522a5d5fc1056ba549 [0,1,0,1,0,0|2,0,0]=4 24787 B13R1.8670 CC1(CSC1)NCCCCC(=O)O 180518c46ee7121c687cfc0666d056d0 [0,1,0,1,0,0|2,0,0]=4 24788 B13R1.8670 NC(=O)CCCNCC1(CCC1)O fb10227969260b476f7546cdc74eb892 [0,1,0,1,0,0|2,0,0]=4 24789 B13R1.8670 NC(=O)CCCOCC1(CCC1)F 1cc1973d1592658e4989ef2b8346381b [0,1,0,1,0,0|2,0,0]=4 24790 B13R1.8670 NC(=O)CCNCCC1(CCC1)O b72ebc80785d32a49618a7ee9cb18004 [0,1,0,1,0,0|2,0,0]=4 24791 B13R1.8670 O=C(O)CCCNCC1(COC1)F 21e49eef38b05d86697c0a88b78ab0f9 [0,1,0,1,0,0|2,0,0]=4 24792 B13R1.8670 O=C(O)CCNCCC1(CCC1)O a3f6d88aca1a32f5e555e3e98daca2d5 [0,1,0,1,0,0|1,0,0]=3 24793 B13R1.8670 O=C(O)CCNCCC1(COC1)O df613091bfbe275c3ee02d8275e19864 [0,1,0,1,0,0|2,0,0]=4 24794 B13R1.8670 O=C(O)CCOCCC1(COC1)F a7ad530fb49436ba4c61536bf6592f92 [0,1,0,1,0,0|2,0,0]=4 24795 B13R2.142 O=C1CCC(O1)CN2CCSC2 13ff61bfc3c00e61520dfad3b64dd360 [0,0,0,2,0,0|2,0,0]=4 24796 B13R2.143 CC1CC1NCC2CCC(=O)N2 52f746f27e3269d8da87a83cf3becce9 [0,0,0,2,0,0|2,0,0]=4 24797 B13R2.143 CC1CC1NCC2CCC(=O)O2 c80bb211c2172863c95bf68e4a15f62d [0,0,0,2,0,0|1,0,0]=3 24798 B13R2.143 CC1CC1NC[C@@H]2CCC(=O)N2 7ba4c60e8fb668d9e36cfdb2294cea81 [0,0,0,2,0,0|2,0,0]=4 24799 B13R2.143 CC1CC1NC[C@H]2CCC(=O)N2 9dfc71800ea9bedbf5f456ee602501bb [0,0,0,2,0,0|2,0,0]=4 24800 B13R2.143 O=C1CCC(O1)CN[C@@H]2C[C@H]2F d621d3bf00005e274a52161f22d985fa [0,0,0,2,0,0|2,0,0]=4 24801 B13R2.143 O=C1CCC(O1)CN[C@H]2C[C@@H]2F cd5f1106dcae13e242257d76a37d3e5a [0,0,0,2,0,0|2,0,0]=4 24802 B13R2.143 O=C1CCC(O1)CN[C@H]2C[C@H]2F 09f11950b84d3dc83b5eea4bd17e34d0 [0,0,0,2,0,0|2,0,0]=4 24803 B13R2.259 CCCN1CCC2C1CC(=O)N2 d20721b5e94aa277a6411310fef15fdf [0,0,0,2,0,0|2,0,0]=4 24804 B13R2.259 CCCN1CC[C@H]2[C@@H]1CC(=O)N2 0711eadcd2933d47cec58940bb944453 [0,0,0,2,0,0|2,0,0]=4 24805 B13R2.483 CCCCN1CC2CC1C(=O)N2 c7b3457d8ba278961b1fcf6f5b42a084 [0,0,0,2,0,0|2,0,0]=4 24806 B13R2.483 CCCCN1C[C@@H]2C[C@H]1C(=O)N2 0f42c18dc2ea55e0e1f3de9d6b84f6e4 [0,0,0,2,0,0|2,0,0]=4 24807 B13R2.483 CCCCN1C[C@H]2C[C@@H]1C(=O)N2 f6c9ea26932ec4de9030d38264d4dfdd [0,0,0,2,0,0|2,0,0]=4 24808 B13R2.2973 O=C1CCC(C1)COCC2CC2 172cdaa38540cae66e21f304b76d8e09 [0,0,0,2,0,0|2,0,0]=4 24809 B13R2.2973 O=C1CCC(C1)OCCC2CC2 bfceb8d5e2a23b5143e0377a4f12ccc5 [0,0,0,2,0,0|2,0,0]=4 24810 B13R2.2973 O=C1CCC(N1)CNCC2CC2 615b9ae474551cf0c270a0f51a0a38cd [0,0,0,2,0,0|2,0,0]=4 24811 B13R2.2973 O=C1CCC(N1)COCC2CC2 75270eab273a8d9d91634f77b41f6c96 [0,0,0,2,0,0|2,0,0]=4 24812 B13R2.2973 O=C1CCC(O1)CNCC2CC2 a67d7859aa54ff26bbc7ed316cb74bbb [0,0,0,2,0,0|1,0,0]=3 24813 B13R2.2973 O=C1CCC(O1)COCC2CC2 de3fc93b5b347a130fe979f44ea6b05f [0,0,0,2,0,0|1,0,0]=3 24814 B13R2.2973 O=C1CC[C@@H](N1)CNCC2CC2 e6b2298dc2375890ec1a7748f2ceb6d2 [0,0,0,2,0,0|2,0,0]=4 24815 B13R2.2973 O=C1CC[C@@H](N1)COCC2CC2 94a284b39bfc95c62cf860a514a98ca5 [0,0,0,2,0,0|2,0,0]=4 24816 B13R2.2973 O=C1CC[C@@H](O1)COCC2CC2 7abca49a317d9459b8e960de3f5f22e4 [0,0,0,2,0,0|1,0,0]=3 24817 B13R2.2973 O=C1CC[C@H](C1)COCC2CC2 a1c036f3f54ee05e065b5ee2ef816be7 [0,0,0,2,0,0|2,0,0]=4 24818 B13R2.2973 O=C1CC[C@H](N1)CCOC2CC2 883e0f6854364b0e449c93edd5c0620a [0,0,0,2,0,0|2,0,0]=4 24819 B13R2.2973 O=C1CC[C@H](N1)CNCC2CC2 10a7ee1161df2aa3b9b114945b866aad [0,0,0,2,0,0|2,0,0]=4 24820 B13R2.2973 O=C1CC[C@H](N1)COCC2CC2 f181aeccb0371092ad480d46b0cae991 [0,0,0,2,0,0|2,0,0]=4 24821 B13R2.2973 O=C1CC[C@H](O1)COCC2CC2 05c2e7595adbfefda06023e6ad99472c [0,0,0,2,0,0|1,0,0]=3 24822 B13R2.2974 O=C1CCC(C1)COC2CCC2 8d00a339f755f7fb7ee00685c0cf221f [0,0,0,2,0,0|2,0,0]=4 24823 B13R2.2974 O=C1CCC(N1)CNC2CCC2 37cd09c79625a5af0d99f9ce3e18b191 [0,0,0,2,0,0|2,0,0]=4 24824 B13R2.2974 O=C1CCC(N1)COC2CCC2 0dc44f70dc57c3fd338833b508ab3481 [0,0,0,2,0,0|2,0,0]=4 24825 B13R2.2974 O=C1CCC(O1)CNC2CCC2 9e4340c7c1044fe863b24fd7d7d58a8a [0,0,0,2,0,0|1,0,0]=3 24826 B13R2.2974 O=C1CCC(O1)CNC2COC2 453af29490f66ee5523d087f72c8cac2 [0,0,0,2,0,0|2,0,0]=4 24827 B13R2.2974 O=C1CCC(O1)COC2CCC2 f239810dc772d43384ad171f440cb628 [0,0,0,2,0,0|1,0,0]=3 24828 B13R2.2974 O=C1CCC(O1)COC2COC2 b5d0159c3f1837471d29e4ac5d5773fd [0,0,0,2,0,0|2,0,0]=4 24829 B13R2.2974 O=C1CC[C@@H](N1)CNC2CCC2 955a6fde81fbc8bb86ced0f8b99cb156 [0,0,0,2,0,0|2,0,0]=4 24830 B13R2.2974 O=C1CC[C@@H](N1)COC2CCC2 3df9c3f1ded558c7013e0f247021c79a [0,0,0,2,0,0|2,0,0]=4 24831 B13R2.2974 O=C1CC[C@@H](O1)COC2CCC2 4ef53f27885e1b3b46cb9908631ef56c [0,0,0,2,0,0|1,0,0]=3 24832 B13R2.2974 O=C1CC[C@H](C1)COC2CCC2 aaa72b3ea4de2198bb3ecf51424b4aea [0,0,0,2,0,0|2,0,0]=4 24833 B13R2.2974 O=C1CC[C@H](N1)CNC2CCC2 7077ebbd78b4b1e51258b16c986a3544 [0,0,0,2,0,0|2,0,0]=4 24834 B13R2.2974 O=C1CC[C@H](N1)COC2CCC2 284fbbe87d4aef1bc7eb92f2ebc69ca2 [0,0,0,2,0,0|2,0,0]=4 24835 B13R2.2974 O=C1CC[C@H](O1)COC2CCC2 8c20f5866817512a6e8fdf4631707984 [0,0,0,2,0,0|1,0,0]=3 24836 B13R2.13 O=C1CCCN(C1)C2CCCC2 05ea12d63a99563936ebaa1196c4c08d [0,0,0,2,0,0|2,0,0]=4 24837 B13R2.153 CC1CC1NC2CCCC(=O)C2 3059028eb74ecef5ff46a82dea6fdb5b [0,0,0,2,0,0|2,0,0]=4 24838 B13R2.270 CCCN1CC2CC(=O)CC1C2 b86920e9b55bfbaca8a5af66b330660d [0,0,0,2,0,0|2,0,0]=4 24839 B13R2.3021 O=C1CCCN(C1)CC2CCC2 da14f3e4e1ce42166ac0930b245dcdb1 [0,0,0,2,0,0|2,0,0]=4 24840 B13R2.5331 O=C1CCCC(C1)COC2CC2 8ef1c421aea1e7630b649d9bc574a42d [0,0,0,2,0,0|2,0,0]=4 24841 B13R2.5331 O=C1CCCC(C1)NCC2CC2 6d879bb29c0796bfd8b042c2c6c35922 [0,0,0,2,0,0|2,0,0]=4 24842 B13R2.5331 O=C1CCCC(C1)OCC2CC2 47f074f64624f150fb4f7c718fb8b69d [0,0,0,2,0,0|2,0,0]=4 24843 B13R2.5331 O=C1CCCC(N1)CNC2CC2 0d33010296fb5c8593214c7f326c9282 [0,0,0,2,0,0|2,0,0]=4 24844 B13R2.5331 O=C1CCCC(N1)COC2CC2 a6e131c060038dee26313b785ef3bc9e [0,0,0,2,0,0|2,0,0]=4 24845 B13R2.5331 O=C1CCCN(C1)CCC2CC2 1f117663f9843da4841f239f64c1534a [0,0,0,2,0,0|2,0,0]=4 24846 B13R2.5331 O=C1CCC[C@@H](N1)COC2CC2 dcb0d7d094faf52fb587e558e50dcd10 [0,0,0,2,0,0|2,0,0]=4 24847 B13R2.5331 O=C1CCC[C@H](N1)COC2CC2 bc4d3a0117a23929ea33362d792fe9ba [0,0,0,2,0,0|2,0,0]=4 24848 B13R2.31 O=C1CC(C1)OC2CCCCC2 9111e9ebe378a0bea3807c82e81b788a [0,0,0,2,0,0|2,0,0]=4 24849 B13R2.31 O=C1CC(O1)CN2CCCOC2 e936b926b9e5dc7050e7b494c8bae7de [0,0,0,2,0,0|2,0,0]=4 24850 B13R2.31 O=C1CC(O1)CN2CCCSC2 0148ace5f263566c6175536b095170fb [0,0,0,2,0,0|2,0,0]=4 24851 B13R2.31 O=C1CC(O1)CN2CCOCC2 63205b7f504aafdebe8f5eff313f31b0 [0,0,0,2,0,0|2,0,0]=4 24852 B13R2.31 O=C1CC(O1)CN2CCSCC2 d63f49db672280a8d70f59a771dedc71 [0,0,0,2,0,0|2,0,0]=4 24853 B13R2.241 O=C1CC(C1)CNC2CCCC2 5e9646052be0a43f93ca581654d01e53 [0,0,0,2,0,0|2,0,0]=4 24854 B13R2.241 O=C1CC(C1)COC2CCCC2 815e34c8312005d9213863d6882dd908 [0,0,0,2,0,0|2,0,0]=4 24855 B13R2.241 O=C1CC(C1)NCC2CCCC2 e765e44a3173e947ed60a7cbbf151091 [0,0,0,2,0,0|2,0,0]=4 24856 B13R2.241 O=C1CC(C1)OCC2CCCC2 f5cc6809cba5ddf9152c8dfee145ec74 [0,0,0,2,0,0|2,0,0]=4 24857 B13R2.241 O=C1CC(N1)CNC2CCCC2 ea2ce9f7b4c4c3f4b486c413c9d3db6c [0,0,0,2,0,0|2,0,0]=4 24858 B13R2.241 O=C1CC(N1)COC2CCCC2 c2662323530ea2fd361ec9053526db9a [0,0,0,2,0,0|2,0,0]=4 24859 B13R2.241 O=C1CC(O1)CNC2CCCC2 bed7f07a40318ac0724b615e5b408389 [0,0,0,2,0,0|1,0,0]=3 24860 B13R2.241 O=C1CC(O1)CNC2CCOC2 cfb971afe7e56c9dff587563bc73c682 [0,0,0,2,0,0|2,0,0]=4 24861 B13R2.241 O=C1CC(O1)CNC2CCSC2 705e3666d280c2c8fce3a8e988715e68 [0,0,0,2,0,0|2,0,0]=4 24862 B13R2.241 O=C1CC(O1)CN[C@@H]2CCOC2 849a30b6a56bd88816abd9ab9ec07401 [0,0,0,2,0,0|2,0,0]=4 24863 B13R2.241 O=C1CC(O1)CN[C@H]2CCOC2 210109f422b80ce67a5ee6b3bd9b10a4 [0,0,0,2,0,0|2,0,0]=4 24864 B13R2.241 O=C1CC(O1)COC2CCCC2 517644ff2edabecc2e596d8e08e0e19d [0,0,0,2,0,0|1,0,0]=3 24865 B13R2.241 O=C1CC(O1)COC2CCCO2 3d4617b1f83e39f0e1f7baa4debd14c8 [0,0,0,2,0,0|2,0,0]=4 24866 B13R2.241 O=C1CC(O1)COC2CCOC2 cb0afcb5dbdf6aa2eda48fe762c9b8ef [0,0,0,2,0,0|2,0,0]=4 24867 B13R2.241 O=C1CC(O1)COC2CCSC2 5d05881a407d8b14f8547f58127bbdce [0,0,0,2,0,0|2,0,0]=4 24868 B13R2.241 O=C1CC(O1)CO[C@@H]2CCOC2 efd367f71613a573dae4bc07f9196e89 [0,0,0,2,0,0|2,0,0]=4 24869 B13R2.241 O=C1CC(O1)CO[C@@H]2CCSC2 5b1603f04d9d58cd644e868914ace21f [0,0,0,2,0,0|2,0,0]=4 24870 B13R2.241 O=C1CC(O1)CO[C@H]2CCOC2 f4827043a88de1b077afdc5966a30a07 [0,0,0,2,0,0|2,0,0]=4 24871 B13R2.241 O=C1CC(O1)CO[C@H]2CCSC2 dcca9567af6e203e801745237fd11209 [0,0,0,2,0,0|2,0,0]=4 24872 B13R2.241 O=C1C[C@@H](N1)COC2CCCC2 f8972a466d4ee0bc36f33127f9d2f696 [0,0,0,2,0,0|2,0,0]=4 24873 B13R2.241 O=C1C[C@H](N1)COC2CCCC2 aff7e5d7c8303bbbc2f59240496a7c42 [0,0,0,2,0,0|2,0,0]=4 24874 B13R2.361 CC1CCCC1OC2CC(=O)C2 dd73d104c5d12fc73ac23d9c842b3c09 [0,0,0,2,0,0|2,0,0]=4 24875 B13R2.361 CC1CCCN1CC2CC(=O)C2 f28d827bd3cfd1a2cca5f430c659db87 [0,0,0,2,0,0|2,0,0]=4 24876 B13R2.361 CC1CCCN1CC2CC(=O)N2 cdf04160c625fa985daf65f6b29c57e5 [0,0,0,2,0,0|2,0,0]=4 24877 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)C2 f81582acb0e5e36eb98d8944ef9b4199 [0,0,0,2,0,0|2,0,0]=4 24878 B13R2.361 C[C@@H]1CCCN1CC2CC(=O)N2 ecdea3c5a8e702e354d6f0f09085b3a3 [0,0,0,2,0,0|2,0,0]=4 24879 B13R2.361 C[C@@H]1CCC[C@@H]1OC2CC(=O)C2 fb2e0b4092d6d01254bb2cb04d786ead [0,0,0,2,0,0|2,0,0]=4 24880 B13R2.361 C[C@@H]1CCC[C@H]1OC2CC(=O)C2 ab3032bef64e6cfcd65c627b5893f5cd [0,0,0,2,0,0|2,0,0]=4 24881 B13R2.361 C[C@H]1CCCN1CC2CC(=O)C2 8ee741078580762cda131dc658e4be35 [0,0,0,2,0,0|2,0,0]=4 24882 B13R2.361 C[C@H]1CCCN1CC2CC(=O)N2 686aaf10db9710b25b0e797038ec265d [0,0,0,2,0,0|2,0,0]=4 24883 B13R2.361 C[C@H]1CCC[C@@H]1OC2CC(=O)C2 e14b85b568c24f345ba9e2e235b01c50 [0,0,0,2,0,0|2,0,0]=4 24884 B13R2.361 C[C@H]1CCC[C@H]1OC2CC(=O)C2 1b40e5a7ac96b2e10f94aa0794ba9295 [0,0,0,2,0,0|2,0,0]=4 24885 B13R2.399 CC1CC1COCC2CC(=O)C2 4d7f8a464b5ae4c424494759ab6b9663 [0,0,0,2,0,0|2,0,0]=4 24886 B13R2.399 CC1CC1COCC2CC(=O)N2 94975ce9e9461fc1c41da5f722067a84 [0,0,0,2,0,0|2,0,0]=4 24887 B13R2.399 CC1CC1COCC2CC(=O)O2 5709662921d1e3849d2a21a8fe9ed612 [0,0,0,2,0,0|1,0,0]=3 24888 B13R2.399 C[C@@H]1C[C@H]1COCC2CC(=O)C2 4023df2ba4cc6b3ce311ebe6bcba4b84 [0,0,0,2,0,0|2,0,0]=4 24889 B13R2.399 C[C@@H]1C[C@H]1COCC2CC(=O)N2 48a9feae604c60df0f0f5aca43129bbd [0,0,0,2,0,0|2,0,0]=4 24890 B13R2.399 C[C@@H]1C[C@H]1COCC2CC(=O)O2 de2facc69012f732887ea6ce80cd1012 [0,0,0,2,0,0|1,0,0]=3 24891 B13R2.399 C[C@H]1C[C@@H]1COCC2CC(=O)C2 12f9daa396c920f7155f4fef60d8ffe1 [0,0,0,2,0,0|2,0,0]=4 24892 B13R2.399 C[C@H]1C[C@@H]1COCC2CC(=O)N2 987b93d5bd22cf6b252a8bd2ba367b1e [0,0,0,2,0,0|2,0,0]=4 24893 B13R2.399 C[C@H]1C[C@@H]1COCC2CC(=O)O2 cdcaf6ebdfd5a777a24573924d7b26c7 [0,0,0,2,0,0|1,0,0]=3 24894 B13R2.399 C[C@H]1C[C@H]1COCC2CC(=O)C2 e4012ae42e13657ddf157738f7000687 [0,0,0,2,0,0|2,0,0]=4 24895 B13R2.399 C[C@H]1C[C@H]1COCC2CC(=O)N2 33f3419502a491bc1045b35bcb259387 [0,0,0,2,0,0|2,0,0]=4 24896 B13R2.399 C[C@H]1C[C@H]1COCC2CC(=O)O2 62b9218dadcce58b3f58fb60f60b3d90 [0,0,0,2,0,0|1,0,0]=3 24897 B13R2.399 O=C1CC(O1)COC[C@@H]2C[C@@H]2F d52964c7e57f90f41b69ab87b8f06f07 [0,0,0,2,0,0|2,0,0]=4 24898 B13R2.399 O=C1CC(O1)COC[C@@H]2C[C@H]2F 5a57561f8b7c546641197a097a3895bd [0,0,0,2,0,0|2,0,0]=4 24899 B13R2.399 O=C1CC(O1)COC[C@H]2C[C@@H]2F 5977d75eb9844f9fe4b2b1c5a6413f56 [0,0,0,2,0,0|2,0,0]=4 24900 B13R2.399 O=C1CC(O1)COC[C@H]2C[C@H]2F 31197afc690700746c336cca487f5b1a [0,0,0,2,0,0|2,0,0]=4 24901 B13R2.619 CO[C@H]1C[C@H]1NCC2CC(=O)O2 1b8667671feaed1145304f45a8ad5c04 [0,0,0,2,0,0|2,0,0]=4 24902 B13R2.619 O=C1CC(O1)CN[C@@H]2C[C@H]2CO a143e5845534f4e8966cd18cd96dc3f0 [0,0,0,2,0,0|2,0,0]=4 24903 B13R2.619 O=C1CC(O1)CN[C@H]2C[C@@H]2CO d64b95249c96c2b1282ba16cd17f9959 [0,0,0,2,0,0|2,0,0]=4 24904 B13R2.619 O=C1CC(O1)CN[C@H]2C[C@H]2CO 40c5f9f34821e983d67386cf74974dea [0,0,0,2,0,0|2,0,0]=4 24905 B13R2.2367 CCC1CCN1CC2CC(=O)C2 473757dd40c8a4463681d744c29def63 [0,0,0,2,0,0|2,0,0]=4 24906 B13R2.2367 CCC1CCN1CC2CC(=O)N2 71cd2fc93564679b100e529975000c9e [0,0,0,2,0,0|2,0,0]=4 24907 B13R2.2367 CCC1CCN1CC2CC(=O)O2 6b01f465614d3ec62e097f5262d2c181 [0,0,0,2,0,0|1,0,0]=3 24908 B13R2.3043 CC1OCC1NCC2CC(=O)O2 51058815e332c315f7071ca267746011 [0,0,0,2,0,0|2,0,0]=4 24909 B13R2.3043 CC1OCC1OCC2CC(=O)O2 0b679f9fb20393bb8357608f917bd2bc [0,0,0,2,0,0|2,0,0]=4 24910 B13R2.3043 C[C@@H]1CC[C@@H]1NCC2CC(=O)C2 ff105115a9b7509a9bfc34139f798cb1 [0,0,0,2,0,0|2,0,0]=4 24911 B13R2.3043 C[C@@H]1CC[C@@H]1NCC2CC(=O)N2 2612ab046c7836d4761168ea3513ce68 [0,0,0,2,0,0|2,0,0]=4 24912 B13R2.3043 C[C@@H]1CC[C@@H]1NCC2CC(=O)O2 736bd9f859531a497d55b6c1325b49bd [0,0,0,2,0,0|1,0,0]=3 24913 B13R2.3043 C[C@@H]1CC[C@H]1NCC2CC(=O)C2 90e1ac08039e36c8462ba4b65024961d [0,0,0,2,0,0|2,0,0]=4 24914 B13R2.3043 C[C@@H]1CC[C@H]1NCC2CC(=O)N2 baa6450d6329810178609c2dad6c6274 [0,0,0,2,0,0|2,0,0]=4 24915 B13R2.3043 C[C@@H]1CC[C@H]1NCC2CC(=O)O2 e211471c0cbb8fa35f691ac0c79a70d9 [0,0,0,2,0,0|1,0,0]=3 24916 B13R2.3043 O=C1CC(O1)CNC2CCC2F 34cec4c47bc098a20a7e1d9365ea79d6 [0,0,0,2,0,0|2,0,0]=4 24917 B13R2.3043 O=C1CC(O1)CNC2CCC2O 9bd7c1a0b49d139ab7398a526c9d2178 [0,0,0,2,0,0|2,0,0]=4 24918 B13R2.3043 O=C1CC(O1)CN[C@@H]2CC[C@@H]2O 3906ccf48cc3a4f1a519d9550361bb68 [0,0,0,2,0,0|2,0,0]=4 24919 B13R2.3043 O=C1CC(O1)CN[C@@H]2CC[C@H]2O c46c5a0be088d071a54f8b2ac82ec886 [0,0,0,2,0,0|2,0,0]=4 24920 B13R2.3043 O=C1CC(O1)CN[C@H]2CC[C@@H]2O f77ab3a318e2964a98249525530e479e [0,0,0,2,0,0|2,0,0]=4 24921 B13R2.3043 O=C1CC(O1)CN[C@H]2CC[C@H]2O 121c66cfa6ccdcb9f23c0ceb33f72d22 [0,0,0,2,0,0|2,0,0]=4 24922 B13R2.5292 O=C1CC(C1)CNCCC2CC2 9793c850f607dbef6f4c73777cdd3581 [0,0,0,2,0,0|2,0,0]=4 24923 B13R2.5292 O=C1CC(C1)COCCC2CC2 c96215473b1c7968ede7f7855c09a8ed [0,0,0,2,0,0|2,0,0]=4 24924 B13R2.5292 O=C1CC(N1)CNCCC2CC2 f6d5b1dcc4741f1c5343d25c153feb3e [0,0,0,2,0,0|2,0,0]=4 24925 B13R2.5292 O=C1CC(N1)COCCC2CC2 664057665cfd22f99bdbc60939f89c9c [0,0,0,2,0,0|2,0,0]=4 24926 B13R2.5292 O=C1CC(O1)CNCCC2CC2 551070d2808b067e53d8543857c2e1fc [0,0,0,2,0,0|1,0,0]=3 24927 B13R2.5292 O=C1CC(O1)CNCCN2CC2 c936af62b2f6d7eef9c0c72578677d2b [0,0,0,2,0,0|2,0,0]=4 24928 B13R2.5292 O=C1CC(O1)COCCC2CC2 aadd5081916b9920063345fa9680e979 [0,0,0,2,0,0|1,0,0]=3 24929 B13R2.5292 O=C1CC(O1)COCCN2CC2 e30182571e20fb735939d593573de908 [0,0,0,2,0,0|2,0,0]=4 24930 B13R2.5292 O=C1C[C@@H](N1)COCCC2CC2 47b5ffb167a6d106f931f2238172be1b [0,0,0,2,0,0|2,0,0]=4 24931 B13R2.5292 O=C1C[C@H](N1)COCCC2CC2 59ae73b95377a6ccb9a342355471c002 [0,0,0,2,0,0|2,0,0]=4 24932 B13R2.5303 O=C1CC(C1)CNCC2CCC2 bbccccb282f28c6ed9e7b4c5677e8951 [0,0,0,2,0,0|2,0,0]=4 24933 B13R2.5303 O=C1CC(C1)COCC2CCC2 843d0b87682dd95d52506385a342947c [0,0,0,2,0,0|2,0,0]=4 24934 B13R2.5303 O=C1CC(C1)OCCC2CCC2 6bb4f2729fa3505ae02aba61b5933456 [0,0,0,2,0,0|2,0,0]=4 24935 B13R2.5303 O=C1CC(N1)CNCC2CCC2 93d2808f1b5345e7cf2c72c9eb49092e [0,0,0,2,0,0|2,0,0]=4 24936 B13R2.5303 O=C1CC(N1)COCC2CCC2 46bb47a331e218d0c1f6d655b324fb95 [0,0,0,2,0,0|2,0,0]=4 24937 B13R2.5303 O=C1CC(O1)CNCC2CCC2 941103c1c7f3bf15b999f4c543804ac2 [0,0,0,2,0,0|1,0,0]=3 24938 B13R2.5303 O=C1CC(O1)CNCC2CCO2 5506e5aa053a4332b567349e0e477639 [0,0,0,2,0,0|2,0,0]=4 24939 B13R2.5303 O=C1CC(O1)CNCC2COC2 ea77320ddb9d53d95e9e712a016e09ab [0,0,0,2,0,0|2,0,0]=4 24940 B13R2.5303 O=C1CC(O1)CNC[C@@H]2CCO2 6288f317d14f163b3fb5af443669f9a2 [0,0,0,2,0,0|2,0,0]=4 24941 B13R2.5303 O=C1CC(O1)CNC[C@H]2CCO2 bf42ef223c2253dd7e6a300d30539858 [0,0,0,2,0,0|2,0,0]=4 24942 B13R2.5303 O=C1CC(O1)COCC2CCC2 46b020132e77fc2a44210c02112ed44a [0,0,0,2,0,0|1,0,0]=3 24943 B13R2.5303 O=C1CC(O1)COCC2CCO2 2df9136a3ca775201a9a728abf9588aa [0,0,0,2,0,0|2,0,0]=4 24944 B13R2.5303 O=C1CC(O1)COCC2COC2 98e2b45056ee353710fd00348f937098 [0,0,0,2,0,0|2,0,0]=4 24945 B13R2.5303 O=C1CC(O1)COCC2CSC2 2a8cfcf48fd1b1bb0592c8ba52e44440 [0,0,0,2,0,0|2,0,0]=4 24946 B13R2.5303 O=C1CC(O1)COC[C@@H]2CCO2 0fe8483725b3c998f6166c246ac9ed99 [0,0,0,2,0,0|2,0,0]=4 24947 B13R2.5303 O=C1CC(O1)COC[C@H]2CCO2 bb27b2ae6cd1eb18c7f764194a88679a [0,0,0,2,0,0|2,0,0]=4 24948 B13R2.5303 O=C1C[C@@H](N1)COCC2CCC2 ee19ebf49d863505ae1631993865f84b [0,0,0,2,0,0|2,0,0]=4 24949 B13R2.5303 O=C1C[C@H](N1)COCC2CCC2 94ef0dae2630e7e0b1feb3d66413ff6d [0,0,0,2,0,0|2,0,0]=4 24950 B13R2.72 CC(=O)N1CCC2C1CCCC2 01bf4847c0b28b979e6cf1ba17cae5b8 [0,0,0,2,0,0|2,0,0]=4 24951 B13R2.545 CC(=O)NC1CCCCC12CC2 8c1d7888529cd422ba8a563043363ddb [0,0,0,2,0,0|2,0,0]=4 24952 B13R2.545 O=C(O)CN1CCOCC12CC2 4cc01e449742e7fbdd2b5e8f2f05664d [0,0,0,2,0,0|2,0,0]=4 24953 B13R2.689 NC(=O)CN1C2CCCC1CC2 0d8b07b8d3f60cc6188eebbacd67f6ef [0,0,0,2,0,0|2,0,0]=4 24954 B13R2.689 NC(=O)CN1[C@@H]2CCC[C@H]1CC2 f317c87290b81d8a538eade668f67713 [0,0,0,2,0,0|2,0,0]=4 24955 B13R2.689 O=C(O)CN1C2CCC1COC2 741bef16542880a35fbbdea791c9c29d [0,0,0,2,0,0|2,0,0]=4 24956 B13R2.689 O=C(O)CN1C2CCCC1CC2 b1ba75df6af179fd7ee22bf4b7def9b6 [0,0,0,2,0,0|1,0,0]=3 24957 B13R2.689 O=C(O)CN1[C@@H]2CCC[C@H]1CC2 47f239b27bf2c22a5cab098d58ada97e [0,0,0,2,0,0|1,0,0]=3 24958 B13R2.689 O=C(O)CN1[C@@H]2CC[C@H]1COC2 2dcd9aa44b318a2832863c28bcf64aa9 [0,0,0,2,0,0|2,0,0]=4 24959 B13R2.1282 NC(=O)CN1CCC2CCC1C2 983c6591c467070db992ae4eb0ae44c4 [0,0,0,2,0,0|2,0,0]=4 24960 B13R2.1282 NC(=O)CN1CC[C@@H]2CC[C@H]1C2 64415178ee3e12738dc07a44e53763a9 [0,0,0,2,0,0|2,0,0]=4 24961 B13R2.1282 O=C(O)CN1CCC2CCC1C2 378764d48e0e9fdf7193f8fc16e11ce1 [0,0,0,2,0,0|1,0,0]=3 24962 B13R2.1282 O=C(O)CN1CCN2CCC1C2 cc52f69320b6528aa1788853c830596e [0,0,0,2,0,0|2,0,0]=4 24963 B13R2.1282 O=C(O)CN1CCN2CC[C@@H]1C2 4634e8630585bbf703b3f5d6f3ce4268 [0,0,0,2,0,0|2,0,0]=4 24964 B13R2.1282 O=C(O)CN1CC[C@@H]2CC[C@H]1C2 64fb452a67b066aed385ef72ed1af7f1 [0,0,0,2,0,0|1,0,0]=3 24965 B13R2.1287 NC(=O)CN1CC2CCC1CC2 7d7864c4e98ef5ac02b910edaef3e5a0 [0,0,0,2,0,0|2,0,0]=4 24966 B13R2.1287 NC(=O)CN1C[C@H]2CC[C@@H]1CC2 a17be982a75b506fcc65c9d75980f873 [0,0,0,2,0,0|2,0,0]=4 24967 B13R2.1287 O=C(O)CN1CC2CCC1CC2 17a5a92f7c74d35333303c905992bdcd [0,0,0,2,0,0|1,0,0]=3 24968 B13R2.1287 O=C(O)CN1C[C@H]2CC[C@@H]1CC2 b4d56d9bff387a9ba2b1864762ae9581 [0,0,0,2,0,0|1,0,0]=3 24969 B13R2.2377 CCN1C2CCCC1CC(=O)C2 bfc4890e9333287f5b93c12e65fb24e5 [0,0,0,2,0,0|2,0,0]=4 24970 B13R2.2887 O=C(O)CN1C[C@H]2C[C@H]2[C@H]1CO 4691722a7bcd8b26c6aef786a8b48fa9 [0,0,0,2,0,0|2,0,0]=4 24971 B13R2.430 CC(=O)N1CC[C@H]2CCC[C@H]2C1 932d40c02c9fd779c4b36bfd407a0ada [0,0,0,2,0,0|2,0,0]=4 24972 B13R2.687 CC(=O)N[C@@H]1CC[C@@H]2[C@H]1CCC2 b23032795e4976b46eb5b2d91ae2f641 [0,0,0,2,0,0|2,0,0]=4 24973 B13R2.687 CC(=O)N[C@H]1CC[C@H]2[C@@H]1CCC2 34a4dc672f89f56ee1a5b502c65fc69c [0,0,0,2,0,0|2,0,0]=4 24974 B13R2.1264 CC(=O)CCN1C2CCC1CC2 f48c715af57ca65698da03407cf24c29 [0,0,0,2,0,0|2,0,0]=4 24975 B13R2.1264 CC(=O)CCN1[C@H]2CC[C@@H]1CC2 0988441f68c2f14f6b3e2e8039f48f98 [0,0,0,2,0,0|2,0,0]=4 24976 B13R2.1264 CC(=O)COC1C2CCC1CC2 eccac5f83e04ddc4dce6e2a09c63f384 [0,0,0,2,0,0|2,0,0]=4 24977 B13R2.1264 NC(=O)CCN1C2CCC1CC2 96e5000f54c4b9480eea76fbd1abfcb7 [0,0,0,2,0,0|2,0,0]=4 24978 B13R2.1264 NC(=O)CCN1[C@H]2CC[C@@H]1CC2 008cae352d1dc05a0eb71b53e610bcab [0,0,0,2,0,0|2,0,0]=4 24979 B13R2.1264 NC(=O)COC1C2CCC1CC2 6bf21591cf18b2e0746084d327659ab9 [0,0,0,2,0,0|2,0,0]=4 24980 B13R2.1264 O=C(O)CCN1C2CCC1CC2 3705da40df4590fd9491a275b433dc0f [0,0,0,2,0,0|1,0,0]=3 24981 B13R2.1264 O=C(O)CCN1[C@H]2CC[C@@H]1CC2 a22bdb1f7c8b45a2a495766aca2904d0 [0,0,0,2,0,0|1,0,0]=3 24982 B13R2.3156 NC(=O)COC1CCCC12CC2 11287c617e31d4b67a175095aab33ba8 [0,0,0,2,0,0|2,0,0]=4 24983 B13R2.3156 NC(=O)CO[C@@H]1CCCC12CC2 148b6983d2735b54922c0944edf0eb18 [0,0,0,2,0,0|2,0,0]=4 24984 B13R2.3156 O=C(O)COC1CCCC12CC2 1e83058ae39862b540a564185e0f8d00 [0,0,0,2,0,0|1,0,0]=3 24985 B13R2.3156 O=C(O)CO[C@@H]1CCCC12CC2 2c152f5196ebe70a6102bdaeb87f195a [0,0,0,2,0,0|1,0,0]=3 24986 B13R2.5551 CC(=O)CCN1CC2CCC1C2 6db137ecd813263bceb3dc65ed6babb9 [0,0,0,2,0,0|2,0,0]=4 24987 B13R2.5551 CC(=O)CCN1C[C@@H]2CC[C@H]1C2 3d9ba79e1a0942030f6612ebe154a3f6 [0,0,0,2,0,0|2,0,0]=4 24988 B13R2.5551 CC(=O)CCN1C[C@H]2CC[C@@H]1C2 cd044fe4672942b592e4be588405f84b [0,0,0,2,0,0|2,0,0]=4 24989 B13R2.5551 CC(=O)CNC1CC2CCC1C2 8875cff8653962ee30be21ca4f4bdf8b [0,0,0,2,0,0|2,0,0]=4 24990 B13R2.5551 CC(=O)CNC1C[C@H]2CC[C@@H]1C2 5b9763116da65042d684e22dd91752d7 [0,0,0,2,0,0|2,0,0]=4 24991 B13R2.5551 CC(=O)CN[C@H]1C[C@@H]2CC[C@H]1C2 6e1f04398eb6de5dfc858247ebaa3ff7 [0,0,0,2,0,0|2,0,0]=4 24992 B13R2.5551 CC(=O)COC1CC2CCC1C2 c855c3f086b134a45d619c52f1ce28bd [0,0,0,2,0,0|2,0,0]=4 24993 B13R2.5551 CC(=O)COC1C[C@H]2CC[C@@H]1C2 1ecde28c54fcd83bf2f91b86dfb8b280 [0,0,0,2,0,0|2,0,0]=4 24994 B13R2.5551 CC(=O)CO[C@H]1C[C@@H]2CC[C@H]1C2 4af0a4572141afa7329f0c06650016e7 [0,0,0,2,0,0|2,0,0]=4 24995 B13R2.5551 NC(=O)CCN1CC2CCC1C2 8b0c22d96de499aa31ee8d0e4176699d [0,0,0,2,0,0|2,0,0]=4 24996 B13R2.5551 NC(=O)CCN1C[C@@H]2CC[C@H]1C2 da14c83028fed2b09578fbe485e95c43 [0,0,0,2,0,0|2,0,0]=4 24997 B13R2.5551 NC(=O)CCN1C[C@H]2CC[C@@H]1C2 3046e542138453d7a9484c8c380550cc [0,0,0,2,0,0|2,0,0]=4 24998 B13R2.5551 NC(=O)CNC1CC2CCC1C2 058aea342723ec0a9fb88564ac74a4f3 [0,0,0,2,0,0|2,0,0]=4 24999 B13R2.5551 NC(=O)CNC1C[C@@H]2CC[C@H]1C2 5a100520c3141aca707c18ce4ec16200 [0,0,0,2,0,0|2,0,0]=4 25000 B13R2.5551 NC(=O)CNC1C[C@H]2CC[C@@H]1C2 5397060a6f36561859e4863d54f2f48d [0,0,0,2,0,0|2,0,0]=4 25001 B13R2.5551 NC(=O)CN[C@@H]1C[C@H]2CC[C@@H]1C2 460c7b6876487aaf4a7bfcdcf085b6df [0,0,0,2,0,0|2,0,0]=4 25002 B13R2.5551 NC(=O)CN[C@H]1C[C@@H]2CC[C@H]1C2 3d792fa6d9c31e9b70204f537af32fdd [0,0,0,2,0,0|2,0,0]=4 25003 B13R2.5551 NC(=O)CN[C@H]1C[C@H]2CC[C@@H]1C2 9b1814d47264380a4ca1b965693bc153 [0,0,0,2,0,0|2,0,0]=4 25004 B13R2.5551 NC(=O)COC1CC2CCC1C2 144d1c21d9219e3fc87da29df09172c0 [0,0,0,2,0,0|2,0,0]=4 25005 B13R2.5551 NC(=O)COC1C[C@@H]2CC[C@H]1C2 45c8f6cbb8c32bdd934ad410c6f34235 [0,0,0,2,0,0|2,0,0]=4 25006 B13R2.5551 NC(=O)COC1C[C@H]2CC[C@@H]1C2 e520d0a1ee52b24ba2940ff690582d2c [0,0,0,2,0,0|2,0,0]=4 25007 B13R2.5551 NC(=O)CO[C@@H]1C[C@H]2CC[C@@H]1C2 a7c93ce58f02bd523974a98dc02984e4 [0,0,0,2,0,0|2,0,0]=4 25008 B13R2.5551 NC(=O)CO[C@H]1C[C@@H]2CC[C@H]1C2 6e18c4c3986900c9643e558651a39dfa [0,0,0,2,0,0|2,0,0]=4 25009 B13R2.5551 NC(=O)CO[C@H]1C[C@H]2CC[C@@H]1C2 e1c20dfae2e04e9628414ef5efe38acd [0,0,0,2,0,0|2,0,0]=4 25010 B13R2.5551 O=C(O)CCN1CC2CC1CO2 b93ad4625307a2f4e22c9b5064934756 [0,0,0,2,0,0|2,0,0]=4 25011 B13R2.5551 O=C(O)CCN1CC2CCC1C2 11e2adcefc2efe8bf73941887bbdd497 [0,0,0,2,0,0|1,0,0]=3 25012 B13R2.5551 O=C(O)CCN1C[C@@H]2CC[C@H]1C2 a508c1519d86fa5bce03c4c406228036 [0,0,0,2,0,0|1,0,0]=3 25013 B13R2.5551 O=C(O)CCN1C[C@@H]2C[C@H]1CO2 347b7c22e5eea586d6764d8dc1eef4dd [0,0,0,2,0,0|2,0,0]=4 25014 B13R2.5551 O=C(O)CCN1C[C@H]2CC[C@@H]1C2 739c2157e56c47c16024787351e2a72d [0,0,0,2,0,0|1,0,0]=3 25015 B13R2.5551 O=C(O)CCN1C[C@H]2C[C@@H]1CO2 775ea9f5949de79ed1e783c0406c2dce [0,0,0,2,0,0|2,0,0]=4 25016 B13R2.5551 O=C(O)CNC1CC2CCC1C2 e2c9137973dd7ac9720f2a6554b72cb7 [0,0,0,2,0,0|1,0,0]=3 25017 B13R2.5551 O=C(O)CNC1C[C@@H]2CC[C@H]1C2 c6e20f8a45d96ab5522193ef0b9ccded [0,0,0,2,0,0|1,0,0]=3 25018 B13R2.5551 O=C(O)CNC1C[C@H]2CC[C@@H]1C2 53367274a017ced21bcb798acafe185a [0,0,0,2,0,0|1,0,0]=3 25019 B13R2.5551 O=C(O)CN[C@@H]1CN2CC[C@H]1C2 a8693f6f262423b09f8136b4db875bb9 [0,0,0,2,0,0|2,0,0]=4 25020 B13R2.5551 O=C(O)CN[C@@H]1C[C@H]2CC[C@@H]1C2 504a4e74b2e6614afe7f2b147b69b8ba [0,0,0,2,0,0|1,0,0]=3 25021 B13R2.5551 O=C(O)CN[C@@H]1C[N@]2CC[C@@H]1C2 399a13302a568754c6a3902d89be6adf [0,0,0,2,0,0|2,0,0]=4 25022 B13R2.5551 O=C(O)CN[C@H]1CN2CC[C@H]1C2 a6a995c566460709bce32a7710fb68da [0,0,0,2,0,0|2,0,0]=4 25023 B13R2.5551 O=C(O)CN[C@H]1C[C@@H]2CC[C@H]1C2 42f31af16e2c8c839a168926d846d7a2 [0,0,0,2,0,0|1,0,0]=3 25024 B13R2.5551 O=C(O)CN[C@H]1C[C@H]2CC[C@@H]1C2 ff15269721257bb0d3ef43f86a16b7d5 [0,0,0,2,0,0|1,0,0]=3 25025 B13R2.5551 O=C(O)CN[C@H]1C[N@]2CC[C@@H]1C2 5da6dc1f84431ecccb848f41ce4aa042 [0,0,0,2,0,0|2,0,0]=4 25026 B13R2.5551 O=C(O)COC1CC2CCC1C2 7e965afd1d6294482e4fbd30e5214966 [0,0,0,2,0,0|1,0,0]=3 25027 B13R2.5551 O=C(O)COC1CN2CCC1C2 3dbd3bdf464225a4f6ac8305b6eafac1 [0,0,0,2,0,0|2,0,0]=4 25028 B13R2.5551 O=C(O)COC1C[C@@H]2CC[C@H]1C2 b702a03877997d6b0a221669d90aa243 [0,0,0,2,0,0|1,0,0]=3 25029 B13R2.5551 O=C(O)CO[C@@H]1C[C@H]2CC[C@@H]1C2 1f0f54163a9c93fcd672cfcaadae6ade [0,0,0,2,0,0|1,0,0]=3 25030 B13R2.5551 O=C(O)CO[C@H]1C[C@@H]2CC[C@H]1C2 fe300c4c0f53652599471e1f5e5e8e37 [0,0,0,2,0,0|1,0,0]=3 25031 B13R2.5551 O=C(O)CO[C@H]1C[C@H]2CC[C@@H]1C2 5cca7db2b65be10397ac75b0f912f376 [0,0,0,2,0,0|1,0,0]=3 25032 B13R2.5551 O=S(O)COC1CC2CCC1C2 4752244a247d3366aed9023280d4bda9 [0,0,0,2,0,0|2,0,0]=4 25033 B13R2.5551 O=S(O)COC1C[C@H]2CC[C@@H]1C2 532dc4f96b28643388521fd912993af4 [0,0,0,2,0,0|2,0,0]=4 25034 B13R2.5551 O=S(O)CO[C@H]1C[C@@H]2CC[C@H]1C2 208e4e66a4aacefed6d8745d8b72ca97 [0,0,0,2,0,0|2,0,0]=4 25035 B13R2.435 CC(=O)N1CC2CCCCC2C1 f9d128040330a91801a5ba591240d247 [0,0,0,2,0,0|2,0,0]=4 25036 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 b8aa109084be6bf8351f17c694c599b4 [0,0,0,2,0,0|2,0,0]=4 25037 B13R2.1263 O=C(O)CCN1C2COCC1C2 f9265f94550f19ad6551737b8dfd1f31 [0,0,0,2,0,0|2,0,0]=4 25038 B13R2.5881 NC(=O)CN1CC2C1CCCC2 673dfe3334b060c18375100a7171fdc0 [0,0,0,2,0,0|2,0,0]=4 25039 B13R2.5881 NC(=O)CN1C[C@@H]2[C@H]1CCCC2 aa8a6c73148bb042b8a05aa1f0b6f301 [0,0,0,2,0,0|2,0,0]=4 25040 B13R2.5881 O=C(O)CN1CC2C1CCCC2 8a9684f1232ee7c4bb6d755d73419a9c [0,0,0,2,0,0|1,0,0]=3 25041 B13R2.5881 O=C(O)CN1C[C@@H]2[C@H]1CCCC2 973b84b9b8b0ee46e1d4c1e6051ee07c [0,0,0,2,0,0|1,0,0]=3 25042 B13R2.13856 O=C(O)CCN1CCOC2C1C2 05dd3e3ec7c4ab69c673dc1625f0521a [0,0,0,2,0,0|2,0,0]=4 25043 B13R2.543 NC(=O)CN1CC2CCCC2C1 ce5403cdf777ab12a0f0afda69cc43e3 [0,0,0,2,0,0|2,0,0]=4 25044 B13R2.543 NC(=O)CN1C[C@H]2CCC[C@H]2C1 ad564396406ecdd8eeae8e2af0804bce [0,0,0,2,0,0|2,0,0]=4 25045 B13R2.543 O=C(O)CN1CC2CCCC2C1 6a9864d2f5fbd0f659a318960652a066 [0,0,0,2,0,0|1,0,0]=3 25046 B13R2.543 O=C(O)CN1CC2CCOC2C1 da6a4bb5554b08c4e58e96114b340565 [0,0,0,2,0,0|2,0,0]=4 25047 B13R2.543 O=C(O)CN1CC2COCC2C1 213126575c9f22f3186455656a05107e [0,0,0,2,0,0|2,0,0]=4 25048 B13R2.543 O=C(O)CN1C[C@@H]2COC[C@H]2C1 ad03c977188f59e1789b002bdcac37c5 [0,0,0,2,0,0|2,0,0]=4 25049 B13R2.543 O=C(O)CN1C[C@H]2CCC[C@H]2C1 827c77b1318ec097176da35f7fc9800e [0,0,0,2,0,0|1,0,0]=3 25050 B13R2.543 O=C(O)CN1C[C@H]2COC[C@@H]2C1 53216731523ac86687524090a0cbedd8 [0,0,0,2,0,0|2,0,0]=4 25051 B13R2.543 O=C(O)CN1C[C@H]2COC[C@H]2C1 dd8c2ffabd4b2c8e5fa34d63f588556c [0,0,0,2,0,0|2,0,0]=4 25052 B13R2.1267 O=C(O)COCC12COCC1C2 b96a20372102511be3f72f7facaab787 [0,0,0,2,0,0|2,0,0]=4 25053 B13R2.1267 O=C(O)COC[C@@]12COC[C@@H]1C2 c9e78730e9e97386e8e310d89e9796c7 [0,0,0,2,0,0|2,0,0]=4 25054 B13R2.1267 O=C(O)COC[C@]12COC[C@H]1C2 b7040f812735d2f59670a173114201a7 [0,0,0,2,0,0|2,0,0]=4 25055 B13R2.1269 CC(=O)CCCN1CC2CC1C2 9cbe5b96820f8cf241bfddf78b328379 [0,0,0,2,0,0|2,0,0]=4 25056 B13R2.1269 NC(=O)CCCN1CC2CC1C2 eb62ae23a9575433d4d0aea59cb4efad [0,0,0,2,0,0|2,0,0]=4 25057 B13R2.1269 O=C(O)CCCN1CC2CC1C2 b5ceafa1e84ea7d4d4cd54607cb235a2 [0,0,0,2,0,0|1,0,0]=3 25058 B13R2.3437 CC1CCCN1[C@@H]2C[C@@H]2C(=O)O a15303791fa2de35f122ba3b8d34572e [0,0,0,2,0,0|1,0,0]=3 25059 B13R2.3437 CC1CCCN1[C@H]2C[C@@H]2C(=O)O eb15dcd50d2bceebfedaa99f350912fd [0,0,0,2,0,0|1,0,0]=3 25060 B13R2.3437 CC1CCCN1[C@H]2C[C@H]2C(=O)O 0c665cd270601dc06963343c73b0bc17 [0,0,0,2,0,0|1,0,0]=3 25061 B13R2.3437 C[C@@H]1CCCN1[C@@H]2C[C@@H]2C(=O)O 8773e58ce2652796950785e3c31c6200 [0,0,0,2,0,0|1,0,0]=3 25062 B13R2.3437 C[C@@H]1CCCN1[C@H]2C[C@@H]2C(=O)O c97f48496c31cc9cc9dd73afa96c7515 [0,0,0,2,0,0|1,0,0]=3 25063 B13R2.3437 C[C@@H]1CCCN1[C@H]2C[C@H]2C(=O)O ce4b1d46cf2c8f1b6df628bc504dfd51 [0,0,0,2,0,0|1,0,0]=3 25064 B13R2.3437 C[C@H]1CCCN1[C@@H]2C[C@@H]2C(=O)O 42fa6befd337ad3577bdf8adcf91de2c [0,0,0,2,0,0|1,0,0]=3 25065 B13R2.3437 C[C@H]1CCCN1[C@H]2C[C@@H]2C(=O)O 3063abffae6468e6add832def7631ee1 [0,0,0,2,0,0|1,0,0]=3 25066 B13R2.3437 C[C@H]1CCCN1[C@H]2C[C@H]2C(=O)O dd3ccce3daebecbf755f8522368c01b5 [0,0,0,2,0,0|1,0,0]=3 25067 B13R2.3437 O=C(O)[C@@H]1C[C@@H]1N2CCCC2O db80af70896a859eb650a0bb565cd080 [0,0,0,2,0,0|2,0,0]=4 25068 B13R2.3437 O=C(O)[C@H]1C[C@@H]1N2CCCC2O a9e450f58d5e202d3d0cc5d321d44934 [0,0,0,2,0,0|2,0,0]=4 25069 B13R2.3437 O=C(O)[C@H]1C[C@H]1N2CCCC2O b863da3f41fd5c29aea3d897d2c77133 [0,0,0,2,0,0|2,0,0]=4 25070 B13R2.4701 CN1C[C@H]2C[C@@H]1CN2CC(=O)O b2d1584d6351963d672099e4ad246fb0 [0,0,0,2,0,0|2,0,0]=4 25071 B13R2.4701 O=C(O)CN1CC2CC1CC2O f0a3385e2554646c3c96f466233a9764 [0,0,0,2,0,0|2,0,0]=4 25072 B13R2.4701 O=C(O)CN1CC2C[C@@H]1C[C@@H]2O 116a1280d3ebe9e24ecb00a4d737bd5e [0,0,0,2,0,0|2,0,0]=4 25073 B13R2.5532 CC(=O)CCN1CC2C1CCC2 5034d58f38cee6291bd73e679b9ff0f7 [0,0,0,2,0,0|2,0,0]=4 25074 B13R2.5532 CC(=O)CCN1C[C@H]2[C@@H]1CCC2 1668d15467023bfafb09288ec81756b7 [0,0,0,2,0,0|2,0,0]=4 25075 B13R2.5532 NC(=O)CCN1CC2C1CCC2 8cb1733d706233520aee7ba47db08fa0 [0,0,0,2,0,0|2,0,0]=4 25076 B13R2.5532 NC(=O)CCN1C[C@H]2[C@@H]1CCC2 2aae8bfa55c4e2ab9754e5a594cafd37 [0,0,0,2,0,0|2,0,0]=4 25077 B13R2.5532 O=C(O)CCN1CC2C1CCC2 a7db3bc45ef253b577ac9c8f0d5c0d0b [0,0,0,2,0,0|1,0,0]=3 25078 B13R2.5532 O=C(O)CCN1C[C@H]2[C@@H]1CCC2 1e457046b062938e9a94f9dd97709074 [0,0,0,2,0,0|1,0,0]=3 25079 B13R2.13806 CC(=O)CCCN1CCC2C1C2 500029123cd1604d777fbef6226839e7 [0,0,0,2,0,0|2,0,0]=4 25080 B13R2.13806 CC(=O)CCOC1CCC2C1C2 a1e299cdb4a396baf96e454c9e4f23b8 [0,0,0,2,0,0|2,0,0]=4 25081 B13R2.13806 CC(=O)CCO[C@@H]1CC[C@@H]2[C@H]1C2 000b5b63bcb5b5d940d13200ba7e490e [0,0,0,2,0,0|2,0,0]=4 25082 B13R2.13806 NC(=O)CCCN1CCC2C1C2 21f2dbda4a975574db9453ac0b085d71 [0,0,0,2,0,0|2,0,0]=4 25083 B13R2.13806 NC(=O)CCOC1CCC2C1C2 ed0962ceae16c673f0af162067f06b89 [0,0,0,2,0,0|2,0,0]=4 25084 B13R2.13806 NC(=O)CCO[C@@H]1CC[C@@H]2[C@H]1C2 cae2b838857ed4e497d14be1e1d68cc0 [0,0,0,2,0,0|2,0,0]=4 25085 B13R2.13806 O=C(O)CCCN1CCC2C1C2 9e83b7356ea6bc338f7aab2324e63713 [0,0,0,2,0,0|1,0,0]=3 25086 B13R2.13806 O=C(O)CCOC1CCC2C1C2 a373218eda042c5c8801010eb8e40e91 [0,0,0,2,0,0|1,0,0]=3 25087 B13R2.13806 O=C(O)CCO[C@@H]1CC[C@@H]2[C@H]1C2 83a480a4296af82c6eb0b42eddc45846 [0,0,0,2,0,0|1,0,0]=3 25088 B13R2.5219 CC1CC1CO[C@@H]2C[C@@H]2C(=O)O e561e48acb8e400d67aab67f6f80c006 [0,0,0,2,0,0|1,0,0]=3 25089 B13R2.5219 CC1CC1CO[C@H]2C[C@@H]2C(=O)O 2b9c0d134bc394971b1d811bdf110adf [0,0,0,2,0,0|1,0,0]=3 25090 B13R2.5219 CC1CC1CO[C@H]2C[C@H]2C(=O)O 4272438fb77853d950a6bd8944e5867e [0,0,0,2,0,0|1,0,0]=3 25091 B13R2.5219 CC1CC1NCC2CC2C(=O)O e36b0a6bef60256fc21d22d1101deef3 [0,0,0,2,0,0|1,0,0]=3 25092 B13R2.5219 CC1CC1NC[C@@H]2C[C@H]2C(=O)O cf8e6629ebe3e80774b8235a92f2693e [0,0,0,2,0,0|1,0,0]=3 25093 B13R2.5219 C[C@@H]1C[C@H]1CO[C@@H]2C[C@@H]2C(=O)O 84ee78636efcca2bd7c5fa7b213ef478 [0,0,0,2,0,0|1,0,0]=3 25094 B13R2.5219 C[C@@H]1C[C@H]1CO[C@H]2C[C@@H]2C(=O)O 2ed6c999aa45f9eea794806fcc41a40a [0,0,0,2,0,0|1,0,0]=3 25095 B13R2.5219 C[C@@H]1C[C@H]1CO[C@H]2C[C@H]2C(=O)O 973e617da2fc22779b596004a4163a6c [0,0,0,2,0,0|1,0,0]=3 25096 B13R2.5219 C[C@H]1C[C@@H]1CO[C@@H]2C[C@@H]2C(=O)O 71c03215f1d9a76527c2bd389ce48983 [0,0,0,2,0,0|1,0,0]=3 25097 B13R2.5219 C[C@H]1C[C@@H]1CO[C@H]2C[C@@H]2C(=O)O e0437992d79f19350964bd08ac3b5b78 [0,0,0,2,0,0|1,0,0]=3 25098 B13R2.5219 C[C@H]1C[C@@H]1CO[C@H]2C[C@H]2C(=O)O f61cf56edf2b496798b90baee60e06b3 [0,0,0,2,0,0|1,0,0]=3 25099 B13R2.5219 C[C@H]1C[C@H]1CO[C@@H]2C[C@@H]2C(=O)O 476d34a57b652dee81b47b10e3b0d82e [0,0,0,2,0,0|1,0,0]=3 25100 B13R2.5219 C[C@H]1C[C@H]1CO[C@H]2C[C@@H]2C(=O)O 6db8e4b635d4245254d1ed1aa739bfcb [0,0,0,2,0,0|1,0,0]=3 25101 B13R2.5219 C[C@H]1C[C@H]1CO[C@H]2C[C@H]2C(=O)O cc194407d1f320a7f4b70e8fded2e386 [0,0,0,2,0,0|1,0,0]=3 25102 B13R2.5219 O=C(O)C1CC1CN[C@@H]2C[C@H]2F 4bc811094512807f4d4b6378c8c3301f [0,0,0,2,0,0|2,0,0]=4 25103 B13R2.5219 O=C(O)C1CC1CN[C@H]2C[C@@H]2F b35486fe5747303710d9b0ae4699f4dc [0,0,0,2,0,0|2,0,0]=4 25104 B13R2.5219 O=C(O)C1CC1CN[C@H]2C[C@H]2F e5a61a8a33b66ba8cbd7282afe60947e [0,0,0,2,0,0|2,0,0]=4 25105 B13R2.5219 O=C(O)[C@@H]1C[C@@H]1OC[C@@H]2C[C@@H]2F c1c4d77f2435e93deb60338ac3ab5079 [0,0,0,2,0,0|2,0,0]=4 25106 B13R2.5219 O=C(O)[C@@H]1C[C@@H]1OC[C@@H]2C[C@H]2F dcb9617aff9910a34dad497f73bc686a [0,0,0,2,0,0|2,0,0]=4 25107 B13R2.5219 O=C(O)[C@@H]1C[C@@H]1OC[C@H]2C[C@@H]2F db5278fbca3ecadf2d3d8e155f46fd15 [0,0,0,2,0,0|2,0,0]=4 25108 B13R2.5219 O=C(O)[C@@H]1C[C@@H]1OC[C@H]2C[C@H]2F 04216caf1682239173a50649ea0834d0 [0,0,0,2,0,0|2,0,0]=4 25109 B13R2.5219 O=C(O)[C@@H]1C[C@H]1CN[C@@H]2C[C@H]2F 63b6c99f70d840856b21a8cf0fa2b68d [0,0,0,2,0,0|2,0,0]=4 25110 B13R2.5219 O=C(O)[C@@H]1C[C@H]1CN[C@H]2C[C@@H]2F c72ef3604e69e173b271d7ef999c3e7c [0,0,0,2,0,0|2,0,0]=4 25111 B13R2.5219 O=C(O)[C@@H]1C[C@H]1CN[C@H]2C[C@H]2F d4b70405c031bd3da017e8efe775aae9 [0,0,0,2,0,0|2,0,0]=4 25112 B13R2.5219 O=C(O)[C@H]1C[C@@H]1OC[C@@H]2C[C@@H]2F f7b9e124d9b31cb00b722ad585ed566e [0,0,0,2,0,0|2,0,0]=4 25113 B13R2.5219 O=C(O)[C@H]1C[C@@H]1OC[C@@H]2C[C@H]2F fcacb53e1850d2230e9bbb42ca8b7c22 [0,0,0,2,0,0|2,0,0]=4 25114 B13R2.5219 O=C(O)[C@H]1C[C@@H]1OC[C@H]2C[C@@H]2F fecee90f0250aba507e62b23aa71f148 [0,0,0,2,0,0|2,0,0]=4 25115 B13R2.5219 O=C(O)[C@H]1C[C@@H]1OC[C@H]2C[C@H]2F 9aa72723615358cb5da01ae785a60f6e [0,0,0,2,0,0|2,0,0]=4 25116 B13R2.5219 O=C(O)[C@H]1C[C@H]1OC[C@@H]2C[C@@H]2F 46e7b9cbe34231c216bdf6b10c8e9d6e [0,0,0,2,0,0|2,0,0]=4 25117 B13R2.5219 O=C(O)[C@H]1C[C@H]1OC[C@@H]2C[C@H]2F 5485025a56e514b7d223e83b97b36520 [0,0,0,2,0,0|2,0,0]=4 25118 B13R2.5219 O=C(O)[C@H]1C[C@H]1OC[C@H]2C[C@@H]2F d0c025df5a38cbf4709edcd5b48d8429 [0,0,0,2,0,0|2,0,0]=4 25119 B13R2.5219 O=C(O)[C@H]1C[C@H]1OC[C@H]2C[C@H]2F 2e4c933dbff5b278d2949bc7ee1a621d [0,0,0,2,0,0|2,0,0]=4 25120 B13R2.5542 CC(=O)CCN1CCC2CC2C1 4464804ed2898844bb00f535902ee0b1 [0,0,0,2,0,0|2,0,0]=4 25121 B13R2.5542 NC(=O)CCN1CCC2CC2C1 73f8f8452388fd3e0f770ac662d99fc0 [0,0,0,2,0,0|2,0,0]=4 25122 B13R2.5542 NC(=O)CNC1CCC2CC2C1 2597b14f5dc3da1f282e6136c6c76e6a [0,0,0,2,0,0|2,0,0]=4 25123 B13R2.5542 NC(=O)CN[C@@H]1CCC2CC2C1 0cadcbdfc3501bf0e8b5f94c374e9e49 [0,0,0,2,0,0|2,0,0]=4 25124 B13R2.5542 NC(=O)CN[C@H]1CCC2CC2C1 62bf119b685d568c7cf65aa7c8b787aa [0,0,0,2,0,0|2,0,0]=4 25125 B13R2.5542 O=C(O)CCN1CCC2CC2C1 32a406ebb59da00f902a2eb697fdd904 [0,0,0,2,0,0|1,0,0]=3 25126 B13R2.5542 O=C(O)CNC1CCC2CC2C1 cc47073ef1eed39a24891357eaef4e94 [0,0,0,2,0,0|1,0,0]=3 25127 B13R2.5542 O=C(O)CN[C@@H]1CCC2CC2C1 e03add90c56660ec67f4ae4d2782ae5b [0,0,0,2,0,0|1,0,0]=3 25128 B13R2.5542 O=C(O)CN[C@H]1CCC2CC2C1 cd617ea4c8425cd339baf8525b487c10 [0,0,0,2,0,0|1,0,0]=3 25129 B13R2.5565 CC(=O)CCCN1CC2CC2C1 b0be9be704896050bcc1271f384f77e9 [0,0,0,2,0,0|2,0,0]=4 25130 B13R2.5565 CC(=O)CCOC1CC2CC2C1 04dd4a4def8c54b135ccf8578c0ba289 [0,0,0,2,0,0|2,0,0]=4 25131 B13R2.5565 CC(=O)CCOC1C[C@@H]2C[C@@H]2C1 0e1199c40ca1feee08c6dd82a3dee3af [0,0,0,2,0,0|2,0,0]=4 25132 B13R2.5565 CC(=O)CCO[C@@H]1C[C@@H]2C[C@@H]2C1 4d6d05003188dadec697054bc2a8a7d8 [0,0,0,2,0,0|2,0,0]=4 25133 B13R2.5565 CC(=O)CCO[C@H]1C[C@@H]2C[C@@H]2C1 80f8eeddebef19edd3fd5ccfd6d04c00 [0,0,0,2,0,0|2,0,0]=4 25134 B13R2.5565 NC(=O)CCCN1CC2CC2C1 ceb3c790ee9489ac8faebcada45f0bb1 [0,0,0,2,0,0|2,0,0]=4 25135 B13R2.5565 NC(=O)CCOC1CC2CC2C1 9ec45bdbf5752033ba55fe02559524b3 [0,0,0,2,0,0|2,0,0]=4 25136 B13R2.5565 NC(=O)CCOC1C[C@@H]2C[C@@H]2C1 a782b9ea7cd3c30e4b392a3054383566 [0,0,0,2,0,0|2,0,0]=4 25137 B13R2.5565 NC(=O)CCO[C@@H]1C[C@@H]2C[C@@H]2C1 bb20d016dbddee65a54f535870b421ff [0,0,0,2,0,0|2,0,0]=4 25138 B13R2.5565 NC(=O)CCO[C@H]1C[C@@H]2C[C@@H]2C1 b21f0ee422ce283682a2d43b5c31ad5a [0,0,0,2,0,0|2,0,0]=4 25139 B13R2.5565 O=C(O)CCCN1CC2CC2C1 b5f63c4f8706621e4f28116f82888309 [0,0,0,2,0,0|1,0,0]=3 25140 B13R2.5565 O=C(O)CCOC1CC2CC2C1 84088ed7c13bdc44e7579a7bbe585ef4 [0,0,0,2,0,0|1,0,0]=3 25141 B13R2.5565 O=C(O)CCOC1C[C@@H]2C[C@@H]2C1 658387fc1d1216168c84b6b17a34afc8 [0,0,0,2,0,0|1,0,0]=3 25142 B13R2.5565 O=C(O)CCO[C@@H]1C[C@@H]2C[C@@H]2C1 20556c2fb531acd874e2026c4bf9dac0 [0,0,0,2,0,0|1,0,0]=3 25143 B13R2.5565 O=C(O)CCO[C@H]1C[C@@H]2C[C@@H]2C1 e433a57e9e13074c7902ea0ff442d2e0 [0,0,0,2,0,0|1,0,0]=3 25144 B13R2.5549 NC(=O)COC1CCC1C2CC2 b5e3102887ba30e2b7012505e4f6441a [0,0,0,2,0,0|2,0,0]=4 25145 B13R2.5549 O=C(O)COC1CCC1C2CC2 161c4b7d2a5aec0bc33b4b327ff79f8d [0,0,0,2,0,0|1,0,0]=3 25146 B13R2.5852 NC(=O)COC1CCC12CCC2 1cd4f83368f4f07029890bb405d89436 [0,0,0,2,0,0|2,0,0]=4 25147 B13R2.5852 O=C(O)CCN1CCC12COC2 8176bcb81d3eff8ab6b956e18d66c030 [0,0,0,2,0,0|2,0,0]=4 25148 B13R2.5852 O=C(O)COC1CCC12CCC2 64e839e1d343480f46553157d39d3474 [0,0,0,2,0,0|1,0,0]=3 25149 B13R2.5852 O=C(O)COC1CCC12COC2 f902437603f4d073fef7f56cdd08a6c2 [0,0,0,2,0,0|2,0,0]=4 25150 B13R2.5852 O=C(O)COC1COC12CCC2 a54202bf3510422d2e200c0fb3ebce61 [0,0,0,2,0,0|2,0,0]=4 25151 B13R2.1274 CC(=O)CCCN1C2C1CCC2 22a1822e50018ad8775aded46f678332 [0,0,0,2,0,0|2,0,0]=4 25152 B13R2.1274 NC(=O)CCCN1C2C1CCC2 84df13c8311a539fd6bcfd8ecd7561b0 [0,0,0,2,0,0|2,0,0]=4 25153 B13R2.1274 O=C(O)COCC1C2C1COC2 0e5e3614693a47ebdcf4dca7df27539a [0,0,0,2,0,0|2,0,0]=4 25154 B13R2.1274 O=C(O)COCC1C2C1OCC2 3fc59b859e149f93439be546a613efd2 [0,0,0,2,0,0|2,0,0]=4 25155 B13R2.1274 O=C(O)COC[C@@H]1[C@@H]2[C@H]1COC2 30ab3debc906c6ae2392f1fc01230ef7 [0,0,0,2,0,0|2,0,0]=4 25156 B13R2.5862 CC(=O)CCOC1CC12CCC2 5e13bc0d88c0fcdedd18cbf5da43545f [0,0,0,2,0,0|2,0,0]=4 25157 B13R2.5862 NC(=O)CCNC1CC12CCC2 10f3108545c3b9e71c971e6e777747ab [0,0,0,2,0,0|2,0,0]=4 25158 B13R2.5862 NC(=O)CCOC1CC12CCC2 4727659ba4071d57aa7bd56b651ef0ad [0,0,0,2,0,0|2,0,0]=4 25159 B13R2.5862 O=C(O)CCOC1CC12CCC2 ffece1ebc1b5ca9ba6635d6982c7d697 [0,0,0,2,0,0|1,0,0]=3 25160 B13R2.5862 O=S(O)CCNC1CC12CCC2 acad2b2442579be7e54d55c4d606d50a [0,0,0,2,0,0|2,0,0]=4 25161 B13R2.10574 NC(=O)COC[C@H]1C[C@@H]1C2CC2 a84032e3769d6b8227d6c17bb673837a [0,0,0,2,0,0|2,0,0]=4 25162 B13R2.10574 O=C(O)COC[C@H]1C[C@@H]1C2CC2 49d482575453716e74e5a70ed4397ed7 [0,0,0,2,0,0|1,0,0]=3 25163 B13R2.1286 NC(=O)CN1CC2CCCC1C2 afb306bb9598540049ce06afa9adb44d [0,0,0,2,0,0|2,0,0]=4 25164 B13R2.1286 O=C(O)CN1CC2CCCC1C2 8e292ea5724131dd946e2c5fe13b9334 [0,0,0,2,0,0|1,0,0]=3 25165 B13R2.5521 NC(=O)CN1C2CCCCC1C2 1bd8c7b2d1ce19bef41d4af55cae8526 [0,0,0,2,0,0|2,0,0]=4 25166 B13R2.5521 O=C(O)CN1C2CCCCC1C2 8d7a949fb492aa14feb2fa77da3e310a [0,0,0,2,0,0|1,0,0]=3 25167 B13R2.1279 O=C(O)CN1CCN2CCC2C1 bcbe9f058fc7262878bb52ab18c3d0fe [0,0,0,2,0,0|2,0,0]=4 25168 B13R2.3611 CC1OCC1N[C@@H]2C[C@@H]2C(=O)O bf04ecab8aaab5f8ed1469e1d0d0c45d [0,0,0,2,0,0|2,0,0]=4 25169 B13R2.3611 CC1OCC1N[C@H]2C[C@@H]2C(=O)O c75d709f88f036721e4088fc0635c76e [0,0,0,2,0,0|2,0,0]=4 25170 B13R2.3611 CC1OCC1N[C@H]2C[C@H]2C(=O)O 309b75ae57acf2ad0cdf440bb248a2b1 [0,0,0,2,0,0|2,0,0]=4 25171 B13R2.3611 CC1OCC1O[C@@H]2C[C@@H]2C(=O)O 5161e9a165b52907f0c74e1b7e99feb6 [0,0,0,2,0,0|2,0,0]=4 25172 B13R2.3611 CC1OCC1O[C@H]2C[C@@H]2C(=O)O 78f2ce4d1d80d35b2f4f7e61cc2ef057 [0,0,0,2,0,0|2,0,0]=4 25173 B13R2.3611 CC1OCC1O[C@H]2C[C@H]2C(=O)O 36d5a4f6cd638fcf12f4a37ae8b1d49b [0,0,0,2,0,0|2,0,0]=4 25174 B13R2.3611 C[C@@H]1CC[C@@H]1N[C@@H]2C[C@@H]2C(=O)O 211d330f4ef7ae5f67199664ac18e93e [0,0,0,2,0,0|1,0,0]=3 25175 B13R2.3611 C[C@@H]1CC[C@@H]1N[C@H]2C[C@@H]2C(=O)O 7d4cb624ee1b7ba923dac8be6fcc1479 [0,0,0,2,0,0|1,0,0]=3 25176 B13R2.3611 C[C@@H]1CC[C@@H]1N[C@H]2C[C@H]2C(=O)O 688465f66dada2a9f578ccdf993675d2 [0,0,0,2,0,0|1,0,0]=3 25177 B13R2.3611 C[C@@H]1CC[C@H]1N[C@@H]2C[C@@H]2C(=O)O cda2e284785088d890e9e91f444fc8d6 [0,0,0,2,0,0|1,0,0]=3 25178 B13R2.3611 C[C@@H]1CC[C@H]1N[C@H]2C[C@@H]2C(=O)O 009d8d6f1e8f838975f40986361ece23 [0,0,0,2,0,0|1,0,0]=3 25179 B13R2.3611 C[C@@H]1CC[C@H]1N[C@H]2C[C@H]2C(=O)O f009cd5093c5d266199f021d1c25f7ad [0,0,0,2,0,0|1,0,0]=3 25180 B13R2.3611 O=C(O)[C@@H]1C[C@@H]1NC2CCC2F 5c0978e07477d2d5e96eb90eecb9e7b4 [0,0,0,2,0,0|2,0,0]=4 25181 B13R2.3611 O=C(O)[C@@H]1C[C@@H]1NC2CCC2O 3bfc6be4417920f8ad6c0ddd016147b7 [0,0,0,2,0,0|2,0,0]=4 25182 B13R2.3611 O=C(O)[C@@H]1C[C@@H]1N[C@@H]2CC[C@@H]2O 91c6262febd9f0de5985764217c782db [0,0,0,2,0,0|2,0,0]=4 25183 B13R2.3611 O=C(O)[C@@H]1C[C@@H]1N[C@@H]2CC[C@H]2O d5eb2e99314e85b10abdb91dca681a5a [0,0,0,2,0,0|2,0,0]=4 25184 B13R2.3611 O=C(O)[C@@H]1C[C@@H]1N[C@H]2CC[C@@H]2O 00147b5af8f8ea44bfa4dd379da373e0 [0,0,0,2,0,0|2,0,0]=4 25185 B13R2.3611 O=C(O)[C@@H]1C[C@@H]1N[C@H]2CC[C@H]2O 5730574321446b3502d6bc7d289c8fa8 [0,0,0,2,0,0|2,0,0]=4 25186 B13R2.3611 O=C(O)[C@H]1C[C@@H]1NC2CCC2F d6bfcc0cdff8eece04d181ddd00ebf72 [0,0,0,2,0,0|2,0,0]=4 25187 B13R2.3611 O=C(O)[C@H]1C[C@@H]1NC2CCC2O bad00af3e8a0a87591063d1e76489a45 [0,0,0,2,0,0|2,0,0]=4 25188 B13R2.3611 O=C(O)[C@H]1C[C@@H]1N[C@@H]2CC[C@@H]2O 3e1b23b514ce62f7c9147383a8d4571c [0,0,0,2,0,0|2,0,0]=4 25189 B13R2.3611 O=C(O)[C@H]1C[C@@H]1N[C@@H]2CC[C@H]2O fdc32384839270bc42dbbc8407f3c484 [0,0,0,2,0,0|2,0,0]=4 25190 B13R2.3611 O=C(O)[C@H]1C[C@@H]1N[C@H]2CC[C@@H]2O c861e5ab55420b8732611a28b2cc9636 [0,0,0,2,0,0|2,0,0]=4 25191 B13R2.3611 O=C(O)[C@H]1C[C@@H]1N[C@H]2CC[C@H]2O 32bad3deffb48df9ae1f1e4e66e15281 [0,0,0,2,0,0|2,0,0]=4 25192 B13R2.3611 O=C(O)[C@H]1C[C@H]1NC2CCC2F 87cc015920362c0ae8dd42c6b3d7d683 [0,0,0,2,0,0|2,0,0]=4 25193 B13R2.3611 O=C(O)[C@H]1C[C@H]1NC2CCC2O ad7c952fff4781bff1e27b2e7432c055 [0,0,0,2,0,0|2,0,0]=4 25194 B13R2.3611 O=C(O)[C@H]1C[C@H]1N[C@@H]2CC[C@@H]2O abc71126e528ff8dbe0b546e0af3adfc [0,0,0,2,0,0|2,0,0]=4 25195 B13R2.3611 O=C(O)[C@H]1C[C@H]1N[C@@H]2CC[C@H]2O 22af0e629e5f0c004cbd9b3ecd50ad3c [0,0,0,2,0,0|2,0,0]=4 25196 B13R2.3611 O=C(O)[C@H]1C[C@H]1N[C@H]2CC[C@@H]2O ec3a397e23962108dfb422d0e8a270f9 [0,0,0,2,0,0|2,0,0]=4 25197 B13R2.3611 O=C(O)[C@H]1C[C@H]1N[C@H]2CC[C@H]2O bb6e3b4e5fd6abd333a779df6ddddaf6 [0,0,0,2,0,0|2,0,0]=4 25198 B13R2.5548 CC(=O)CCN1CC2CCC2C1 9e042c93be73cbca9c73c21f58560ff6 [0,0,0,2,0,0|2,0,0]=4 25199 B13R2.5548 NC(=O)CCN1CC2CCC2C1 1128b656bebe7601e912420e3fb9a6d9 [0,0,0,2,0,0|2,0,0]=4 25200 B13R2.5548 O=C(O)CCN1CC2CCC2C1 48320b821a9e1fb8a3217a68ed60f768 [0,0,0,2,0,0|1,0,0]=3 25201 B13R2.10577 CC(=O)CCOCC12CCC1C2 4c005f02a360f1305f1b312d1ca4ac4a [0,0,0,2,0,0|2,0,0]=4 25202 B13R2.10577 NC(=O)CCOCC12CCC1C2 e8996f68ded4e6bd4411e1c3c90c2997 [0,0,0,2,0,0|2,0,0]=4 25203 B13R2.10577 O=C(O)CCOCC12CCC1C2 9c123cf7b4f616300796ffc6b56ca421 [0,0,0,2,0,0|1,0,0]=3 25204 B13R2.423 O=C(O)[C@@H]1C[C@@H]1N2CCCOC2 39292707afeb6c0fd924b99765512388 [0,0,0,2,0,0|2,0,0]=4 25205 B13R2.423 O=C(O)[C@@H]1C[C@@H]1N2CCCSC2 680a6ee1d9fdca1fdc9661132b8d626e [0,0,0,2,0,0|2,0,0]=4 25206 B13R2.423 O=C(O)[C@@H]1C[C@@H]1N2CCOCC2 95a936eb9b2575a2d6b805079abd6e51 [0,0,0,2,0,0|2,0,0]=4 25207 B13R2.423 O=C(O)[C@@H]1C[C@@H]1N2CCSCC2 306b43f3f40aa074ce6f9f392222574e [0,0,0,2,0,0|2,0,0]=4 25208 B13R2.423 O=C(O)[C@H]1C[C@@H]1N2CCCOC2 5b1be24e230247224f0a6aa534028daa [0,0,0,2,0,0|2,0,0]=4 25209 B13R2.423 O=C(O)[C@H]1C[C@@H]1N2CCCSC2 2eef23ef4fd394bf04af969a87d4b142 [0,0,0,2,0,0|2,0,0]=4 25210 B13R2.423 O=C(O)[C@H]1C[C@@H]1N2CCOCC2 d5a5d225a684549111f31bdcc0449098 [0,0,0,2,0,0|2,0,0]=4 25211 B13R2.423 O=C(O)[C@H]1C[C@@H]1N2CCSCC2 3a23454dd0e6b90432f04e16493ef7f4 [0,0,0,2,0,0|2,0,0]=4 25212 B13R2.423 O=C(O)[C@H]1C[C@H]1N2CCCOC2 58b6a3b5fca98ab011c01988968ce9aa [0,0,0,2,0,0|2,0,0]=4 25213 B13R2.423 O=C(O)[C@H]1C[C@H]1N2CCCSC2 78127512e66ffc378733b5db20bb29a5 [0,0,0,2,0,0|2,0,0]=4 25214 B13R2.423 O=C(O)[C@H]1C[C@H]1N2CCOCC2 f5e078aa5960fbf6785150343e2814b7 [0,0,0,2,0,0|2,0,0]=4 25215 B13R2.423 O=C(O)[C@H]1C[C@H]1N2CCSCC2 8e991d962389a0b65baf32cc40b75261 [0,0,0,2,0,0|2,0,0]=4 25216 B13R2.437 CC(=O)N1CCC12CCCCC2 124e0e72a0cc6c0e39b58c6ac10fc2f4 [0,0,0,2,0,0|2,0,0]=4 25217 B13R2.5849 CC(=O)CCN1C2C1CCCC2 22487302933b11abe652627f058279fd [0,0,0,2,0,0|2,0,0]=4 25218 B13R2.5849 NC(=O)CCN1C2C1CCCC2 9ffbe4e891a19031fbb34a1ce9614a57 [0,0,0,2,0,0|2,0,0]=4 25219 B13R2.5849 O=C(O)CCN1C2C1CCCC2 3e07eaa5d6167713f2af14ec3ec0e5e3 [0,0,0,2,0,0|1,0,0]=3 25220 B13R2.35 CC(=O)N1CCCC12CCCC2 cb6ea9a707b5970f96c468ac072b2e2b [0,0,0,2,0,0|2,0,0]=4 25221 B13R2.424 O=C(O)C1CC1CN2CCSC2 4c49572637d663d1e54ccf11923cbab4 [0,0,0,2,0,0|2,0,0]=4 25222 B13R2.424 O=C(O)[C@@H]1C[C@@H]1NC2CCCC2 a19426010b9bae804d33281488b348a6 [0,0,0,2,0,0|1,0,0]=3 25223 B13R2.424 O=C(O)[C@@H]1C[C@@H]1NC2CCOC2 d71aaf10f57063e4d488cde3e5f90609 [0,0,0,2,0,0|2,0,0]=4 25224 B13R2.424 O=C(O)[C@@H]1C[C@@H]1NC2CCSC2 72f386dece731dec975a0291ca3f8057 [0,0,0,2,0,0|2,0,0]=4 25225 B13R2.424 O=C(O)[C@@H]1C[C@@H]1N[C@@H]2CCOC2 444aaf837bb58462d8eb42b2666a185c [0,0,0,2,0,0|2,0,0]=4 25226 B13R2.424 O=C(O)[C@@H]1C[C@@H]1N[C@H]2CCOC2 10fe3edb6d9848e521af85845444052e [0,0,0,2,0,0|2,0,0]=4 25227 B13R2.424 O=C(O)[C@@H]1C[C@@H]1OC2CCCC2 185f041a6457ccfd6a363028e6dd777f [0,0,0,2,0,0|1,0,0]=3 25228 B13R2.424 O=C(O)[C@@H]1C[C@@H]1OC2CCCO2 89b51790f5bec66cddefc49928bbf45f [0,0,0,2,0,0|2,0,0]=4 25229 B13R2.424 O=C(O)[C@@H]1C[C@@H]1OC2CCOC2 eeaf8a1821cebea98e00ab78ca9d63ed [0,0,0,2,0,0|2,0,0]=4 25230 B13R2.424 O=C(O)[C@@H]1C[C@@H]1OC2CCSC2 40ce9067e40df879b3f6dc66a3557992 [0,0,0,2,0,0|2,0,0]=4 25231 B13R2.424 O=C(O)[C@@H]1C[C@@H]1O[C@@H]2CCOC2 0533f4eec03f002ba0b209b773217339 [0,0,0,2,0,0|2,0,0]=4 25232 B13R2.424 O=C(O)[C@@H]1C[C@@H]1O[C@@H]2CCSC2 dde05b1205e66e408e852f5d10d0e8b8 [0,0,0,2,0,0|2,0,0]=4 25233 B13R2.424 O=C(O)[C@@H]1C[C@@H]1O[C@H]2CCOC2 405bc025aeee323cfb0aaa990c571aac [0,0,0,2,0,0|2,0,0]=4 25234 B13R2.424 O=C(O)[C@@H]1C[C@@H]1O[C@H]2CCSC2 0072b5a5159edc9becb600cc9e07341e [0,0,0,2,0,0|2,0,0]=4 25235 B13R2.424 O=C(O)[C@@H]1C[C@H]1CN2CCSC2 71c8c138cd5d327985d1dd5e77978702 [0,0,0,2,0,0|2,0,0]=4 25236 B13R2.424 O=C(O)[C@H]1C[C@@H]1NC2CCCC2 2c8a076f624d5ae2e5c133c5f6ea61d2 [0,0,0,2,0,0|1,0,0]=3 25237 B13R2.424 O=C(O)[C@H]1C[C@@H]1NC2CCOC2 930d3f8c57a00d94eef3bde452cce223 [0,0,0,2,0,0|2,0,0]=4 25238 B13R2.424 O=C(O)[C@H]1C[C@@H]1NC2CCSC2 67afb3d9534a74c57dd338d460914abe [0,0,0,2,0,0|2,0,0]=4 25239 B13R2.424 O=C(O)[C@H]1C[C@@H]1N[C@@H]2CCOC2 de0eeef71ed7bcf74f90d067d0fe5b1e [0,0,0,2,0,0|2,0,0]=4 25240 B13R2.424 O=C(O)[C@H]1C[C@@H]1N[C@H]2CCOC2 53e6291e889730bd70b1c4158531a6e5 [0,0,0,2,0,0|2,0,0]=4 25241 B13R2.424 O=C(O)[C@H]1C[C@@H]1OC2CCCC2 266e776bacdabb20724806c6820c6ea7 [0,0,0,2,0,0|1,0,0]=3 25242 B13R2.424 O=C(O)[C@H]1C[C@@H]1OC2CCCO2 c22fca2beeeb1474c5abc06054f52863 [0,0,0,2,0,0|2,0,0]=4 25243 B13R2.424 O=C(O)[C@H]1C[C@@H]1OC2CCOC2 812f9179b65f73b6cc54b5a77c496c69 [0,0,0,2,0,0|2,0,0]=4 25244 B13R2.424 O=C(O)[C@H]1C[C@@H]1OC2CCSC2 c8edda4b5893073d64a8928fcf9f6e05 [0,0,0,2,0,0|2,0,0]=4 25245 B13R2.424 O=C(O)[C@H]1C[C@@H]1O[C@@H]2CCOC2 146f8d99c937f387367f86a8e269fae2 [0,0,0,2,0,0|2,0,0]=4 25246 B13R2.424 O=C(O)[C@H]1C[C@@H]1O[C@@H]2CCSC2 e1c5dfb5ea6b848c659e6f41d5b228c7 [0,0,0,2,0,0|2,0,0]=4 25247 B13R2.424 O=C(O)[C@H]1C[C@@H]1O[C@H]2CCOC2 d9398926029a047d8b0b976e8d7a516c [0,0,0,2,0,0|2,0,0]=4 25248 B13R2.424 O=C(O)[C@H]1C[C@@H]1O[C@H]2CCSC2 9ab1d7b0f3f06d2268074f0b90e232f4 [0,0,0,2,0,0|2,0,0]=4 25249 B13R2.424 O=C(O)[C@H]1C[C@H]1NC2CCCC2 02831e7b3089fd4ceca526fb1747f059 [0,0,0,2,0,0|1,0,0]=3 25250 B13R2.424 O=C(O)[C@H]1C[C@H]1NC2CCOC2 34f7d547d8b470b6d08e8a346e02d8dd [0,0,0,2,0,0|2,0,0]=4 25251 B13R2.424 O=C(O)[C@H]1C[C@H]1NC2CCSC2 3807e3ef4da4ab91130f2517daa30837 [0,0,0,2,0,0|2,0,0]=4 25252 B13R2.424 O=C(O)[C@H]1C[C@H]1N[C@@H]2CCOC2 e34951bcef8b4392efcb949e08a112bd [0,0,0,2,0,0|2,0,0]=4 25253 B13R2.424 O=C(O)[C@H]1C[C@H]1N[C@H]2CCOC2 b167b9c3497d421a0ec1cd3fb1ccc5a4 [0,0,0,2,0,0|2,0,0]=4 25254 B13R2.424 O=C(O)[C@H]1C[C@H]1OC2CCCC2 cd8281185dff366c8b2be13443d418c7 [0,0,0,2,0,0|1,0,0]=3 25255 B13R2.424 O=C(O)[C@H]1C[C@H]1OC2CCCO2 aa866313653074d51d543f5a0439ff0b [0,0,0,2,0,0|2,0,0]=4 25256 B13R2.424 O=C(O)[C@H]1C[C@H]1OC2CCOC2 274ca8ca22613435ef3788f44ff920d1 [0,0,0,2,0,0|2,0,0]=4 25257 B13R2.424 O=C(O)[C@H]1C[C@H]1OC2CCSC2 72670c54df2c3f6d8e6b8826142916b3 [0,0,0,2,0,0|2,0,0]=4 25258 B13R2.424 O=C(O)[C@H]1C[C@H]1O[C@@H]2CCOC2 401802ee11743504473352b5ea7f8727 [0,0,0,2,0,0|2,0,0]=4 25259 B13R2.424 O=C(O)[C@H]1C[C@H]1O[C@@H]2CCSC2 fccb49837c85eda86419cf43f433e210 [0,0,0,2,0,0|2,0,0]=4 25260 B13R2.424 O=C(O)[C@H]1C[C@H]1O[C@H]2CCOC2 d3b12c359113355afe45d139dacf55fd [0,0,0,2,0,0|2,0,0]=4 25261 B13R2.424 O=C(O)[C@H]1C[C@H]1O[C@H]2CCSC2 02219b2d00cce2353bcf7c03d31fb294 [0,0,0,2,0,0|2,0,0]=4 25262 B13R2.426 CC(=O)NC1CCC12CCCC2 70476001bb2892b867be2875f341de7b [0,0,0,2,0,0|2,0,0]=4 25263 B13R2.426 NC(=O)CN1CCC12CCCC2 f24ebde71c4f142b130981b9f7cf35ee [0,0,0,2,0,0|2,0,0]=4 25264 B13R2.426 O=C(O)CN1CCC12CCCC2 15466ac60ada346a24c61aeed36f45b8 [0,0,0,2,0,0|1,0,0]=3 25265 B13R2.426 O=C(O)CN1CCC12CCOC2 272345b1ddca0ed4ea27f78de32e303a [0,0,0,2,0,0|2,0,0]=4 25266 B13R2.427 NC(=O)CNC1CC12CCCC2 0f99973ade66706de96a3d1b2d21f9a3 [0,0,0,2,0,0|2,0,0]=4 25267 B13R2.427 O=C(O)CNC1CC12CCCC2 647018ca0c4457b283bfbe3a62e3b03a [0,0,0,2,0,0|1,0,0]=3 25268 B13R2.5569 CC(=O)N1CCCC2C1CCC2 ee529948293b800e65bc755cb64238d8 [0,0,0,2,0,0|2,0,0]=4 25269 B13R2.5602 O=C(O)C1CCCN1C2COC2 4890636b11a4ddb20e2c8e3c87993592 [0,0,0,2,0,0|2,0,0]=4 25270 B13R2.5602 O=C(O)[C@@H]1CCCN1C2COC2 ebfcfa1fd9158b8600bbbdcbbca5f9d8 [0,0,0,2,0,0|2,0,0]=4 25271 B13R2.5602 O=C(O)[C@H]1CCCN1C2COC2 a096a7f3a44f13cb0ceede38e2bc6af7 [0,0,0,2,0,0|2,0,0]=4 25272 B13R2.13743 NC(=O)C1CCN1CC2CCC2 697b73b0f19c5ea671c9a344d52ead5e [0,0,0,2,0,0|2,0,0]=4 25273 B13R2.13743 NC(=O)[C@@H]1CCN1CC2CCC2 c8c27bee36e43bb98df6ce46ce2e569f [0,0,0,2,0,0|2,0,0]=4 25274 B13R2.13743 NC(=O)[C@H]1CCN1CC2CCC2 8fe8dbf5df6f69178ac717def2abfac9 [0,0,0,2,0,0|2,0,0]=4 25275 B13R2.13743 O=C(O)C1CCC1OC2CCC2 2618784d676e33b5090f3946f5fb22fd [0,0,0,2,0,0|1,0,0]=3 25276 B13R2.13743 O=C(O)C1CCC1OC2COC2 676dcc446e85fecff2cdd86d64072ba9 [0,0,0,2,0,0|2,0,0]=4 25277 B13R2.13743 O=C(O)C1CCN1CC2CCC2 4f2f5191086395e1e7192dd20e47e05d [0,0,0,2,0,0|1,0,0]=3 25278 B13R2.13743 O=C(O)C1CCN1CC2CCO2 7bb209a6dd2c17ddea912ca8d13b04ff [0,0,0,2,0,0|2,0,0]=4 25279 B13R2.13743 O=C(O)C1CCN1CC2COC2 70b9b44efe6829c15e589e0669f8d338 [0,0,0,2,0,0|2,0,0]=4 25280 B13R2.13743 O=C(O)C1CCN1C[C@@H]2CCO2 c1373a75ee44cf695a40ad4c4d3b9ec1 [0,0,0,2,0,0|2,0,0]=4 25281 B13R2.13743 O=C(O)C1CCN1C[C@H]2CCO2 0d46bd9796bc715e3641a82af55dbfb9 [0,0,0,2,0,0|2,0,0]=4 25282 B13R2.13743 O=C(O)[C@@H]1CCN1CC2CCC2 bbf2f44cd8643774d03991950637347c [0,0,0,2,0,0|1,0,0]=3 25283 B13R2.13743 O=C(O)[C@@H]1CCN1CC2CCO2 da712df751eb000d0f47f50f5e6ad231 [0,0,0,2,0,0|2,0,0]=4 25284 B13R2.13743 O=C(O)[C@@H]1CCN1CC2COC2 51096472708255783ddd043cbcb791d3 [0,0,0,2,0,0|2,0,0]=4 25285 B13R2.13743 O=C(O)[C@@H]1CCN1C[C@@H]2CCO2 1b33996506161a62c09df3f9793ebc0c [0,0,0,2,0,0|2,0,0]=4 25286 B13R2.13743 O=C(O)[C@@H]1CCN1C[C@H]2CCO2 f868fe1e1efd022a51af32f5f38b675c [0,0,0,2,0,0|2,0,0]=4 25287 B13R2.13743 O=C(O)[C@@H]1CC[C@@H]1NC2CCC2 de022c70111e597b4d40eff8a0d4ccca [0,0,0,2,0,0|1,0,0]=3 25288 B13R2.13743 O=C(O)[C@@H]1CC[C@@H]1NC2COC2 837d93adcc10c0cfb09713f6dc6e1bc8 [0,0,0,2,0,0|2,0,0]=4 25289 B13R2.13743 O=C(O)[C@H]1CCN1CC2CCC2 7239610305d09fceefcf864b97912793 [0,0,0,2,0,0|1,0,0]=3 25290 B13R2.13743 O=C(O)[C@H]1CCN1CC2CCO2 477221bfe70c9d0306e137427cec7640 [0,0,0,2,0,0|2,0,0]=4 25291 B13R2.13743 O=C(O)[C@H]1CCN1CC2COC2 14c86c962e886511adad1acf6cca29e1 [0,0,0,2,0,0|2,0,0]=4 25292 B13R2.13743 O=C(O)[C@H]1CCN1C[C@@H]2CCO2 0f3f172bf08bb4b42a5227e924c222cd [0,0,0,2,0,0|2,0,0]=4 25293 B13R2.13743 O=C(O)[C@H]1CCN1C[C@H]2CCO2 7e99ad6a19fdb0b4d75e7fc4829f03a7 [0,0,0,2,0,0|2,0,0]=4 25294 B13R2.13743 O=C(O)[C@H]1CC[C@@H]1OC2CCC2 9f09af63efb2a9d45be78d178f5bca0c [0,0,0,2,0,0|1,0,0]=3 25295 B13R2.13743 O=C(O)[C@H]1CC[C@@H]1OC2COC2 955f20465d385d91800c662a9f89cae0 [0,0,0,2,0,0|2,0,0]=4 25296 B13R2.14001 O=C(O)C1CC1CNC2CCC2 d83943c5e8a7c80d9213bfff6fcb63f4 [0,0,0,2,0,0|1,0,0]=3 25297 B13R2.14001 O=C(O)C1CC1CNC2COC2 209f40b4eccace80b3228c8dbcf283a5 [0,0,0,2,0,0|2,0,0]=4 25298 B13R2.14001 O=C(O)C1CC1COC2CCC2 979500919fa5140a20d733fbe82476f1 [0,0,0,2,0,0|1,0,0]=3 25299 B13R2.14001 O=C(O)C1CC1COC2COC2 5e5373686b8ffb2766a5a994cb5440fc [0,0,0,2,0,0|2,0,0]=4 25300 B13R2.14001 O=C(O)C1CC1COC2CSC2 b298c9f34c447abfdee76acfcb73fd5f [0,0,0,2,0,0|2,0,0]=4 25301 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1COC2CCC2 a940cf80c5bcc77476184ff38b98ddb4 [0,0,0,2,0,0|1,0,0]=3 25302 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1COC2COC2 8401f44087427b604e44407da82f24bc [0,0,0,2,0,0|2,0,0]=4 25303 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1NCC2CCC2 6bd484df2693c3ec294566e8fb6ae99e [0,0,0,2,0,0|1,0,0]=3 25304 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1NCC2CCO2 be3e788fc2e0de78a0c1bcddfd0437d3 [0,0,0,2,0,0|2,0,0]=4 25305 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1NCC2COC2 ee17adb6e6c323c4dd558fcf5d010b5a [0,0,0,2,0,0|2,0,0]=4 25306 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1NC[C@@H]2CCO2 6e4c565c1ebf5e4290813af36f32c255 [0,0,0,2,0,0|2,0,0]=4 25307 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1NC[C@H]2CCO2 4ae905ced9eeb03665ed026b23cfce9e [0,0,0,2,0,0|2,0,0]=4 25308 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1OCC2CCC2 49b241e7c9cd9d522de411c70e0b4c54 [0,0,0,2,0,0|1,0,0]=3 25309 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1OCC2CCO2 2456fc2321fe7baa63c1384cefbf64b8 [0,0,0,2,0,0|2,0,0]=4 25310 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1OCC2COC2 96da0ce93728f79a54fd5e07b8d0a4a8 [0,0,0,2,0,0|2,0,0]=4 25311 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1OCC2CSC2 c208ed888b70e7c11c15391c626c2490 [0,0,0,2,0,0|2,0,0]=4 25312 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1OC[C@@H]2CCO2 205fd2d58e6d44842d61ab3ce8b370a0 [0,0,0,2,0,0|2,0,0]=4 25313 B13R2.14001 O=C(O)[C@@H]1C[C@@H]1OC[C@H]2CCO2 cdf8d266ad39b9e4bebe6980833d76a2 [0,0,0,2,0,0|2,0,0]=4 25314 B13R2.14001 O=C(O)[C@@H]1C[C@H]1CNC2CCC2 d43f6bd7dfc55351a9d9e98b4277622c [0,0,0,2,0,0|1,0,0]=3 25315 B13R2.14001 O=C(O)[C@@H]1C[C@H]1CNC2COC2 951ddddb87f9fb786e391eccfbe4e8bc [0,0,0,2,0,0|2,0,0]=4 25316 B13R2.14001 O=C(O)[C@@H]1C[C@H]1COC2CCC2 a3d2aabfd9a218c324f68f0ba943fc6d [0,0,0,2,0,0|1,0,0]=3 25317 B13R2.14001 O=C(O)[C@@H]1C[C@H]1COC2COC2 e8a34ade6b25241d193cb7bcb496f738 [0,0,0,2,0,0|2,0,0]=4 25318 B13R2.14001 O=C(O)[C@@H]1C[C@H]1COC2CSC2 172b66abf6ea67f1e6ea7640f432319b [0,0,0,2,0,0|2,0,0]=4 25319 B13R2.14001 O=C(O)[C@H]1C[C@@H]1COC2CCC2 c0db454519e635f60a7a4f28bce4ebb0 [0,0,0,2,0,0|1,0,0]=3 25320 B13R2.14001 O=C(O)[C@H]1C[C@@H]1COC2COC2 12367fffdd40cc04047d14d9767fd01b [0,0,0,2,0,0|2,0,0]=4 25321 B13R2.14001 O=C(O)[C@H]1C[C@@H]1NCC2CCC2 762f8f067dc28c9d812548b22405d2a4 [0,0,0,2,0,0|1,0,0]=3 25322 B13R2.14001 O=C(O)[C@H]1C[C@@H]1NCC2CCO2 9bb6c2d5bfdf1e199f9d51ecbdf74677 [0,0,0,2,0,0|2,0,0]=4 25323 B13R2.14001 O=C(O)[C@H]1C[C@@H]1NCC2COC2 6bc2352bf23d76ea58a95b51e125857b [0,0,0,2,0,0|2,0,0]=4 25324 B13R2.14001 O=C(O)[C@H]1C[C@@H]1NC[C@@H]2CCO2 3d0a2b206f844bce59f12c2f4e173c88 [0,0,0,2,0,0|2,0,0]=4 25325 B13R2.14001 O=C(O)[C@H]1C[C@@H]1NC[C@H]2CCO2 743c0bcbe7614155e17db74e1f41cf7e [0,0,0,2,0,0|2,0,0]=4 25326 B13R2.14001 O=C(O)[C@H]1C[C@@H]1OCC2CCC2 9d466da42115efcd178cbb80efc0c567 [0,0,0,2,0,0|1,0,0]=3 25327 B13R2.14001 O=C(O)[C@H]1C[C@@H]1OCC2CCO2 299a281b47aafdb5f3e7e658c5a32b04 [0,0,0,2,0,0|2,0,0]=4 25328 B13R2.14001 O=C(O)[C@H]1C[C@@H]1OCC2COC2 39d09fec5dd2d814f01b23ac6fccc6d6 [0,0,0,2,0,0|2,0,0]=4 25329 B13R2.14001 O=C(O)[C@H]1C[C@@H]1OCC2CSC2 4210edfc51dd732fc5ddb56a64fdccaa [0,0,0,2,0,0|2,0,0]=4 25330 B13R2.14001 O=C(O)[C@H]1C[C@@H]1OC[C@@H]2CCO2 d589e549a6ad60e2bdc49fb70968160c [0,0,0,2,0,0|2,0,0]=4 25331 B13R2.14001 O=C(O)[C@H]1C[C@@H]1OC[C@H]2CCO2 293e88d9f8dd821c7cc62fdcca98dc65 [0,0,0,2,0,0|2,0,0]=4 25332 B13R2.14001 O=C(O)[C@H]1C[C@H]1NCC2CCC2 b688955b316d28bde737c4f2bfcce859 [0,0,0,2,0,0|1,0,0]=3 25333 B13R2.14001 O=C(O)[C@H]1C[C@H]1NCC2CCO2 e4505dda4227dabebfad1e6dce10044a [0,0,0,2,0,0|2,0,0]=4 25334 B13R2.14001 O=C(O)[C@H]1C[C@H]1NCC2COC2 4eec222190e76b6b96bdd1c4cd897ee4 [0,0,0,2,0,0|2,0,0]=4 25335 B13R2.14001 O=C(O)[C@H]1C[C@H]1NC[C@@H]2CCO2 323667096dc9a7f6f796849ca14c2b24 [0,0,0,2,0,0|2,0,0]=4 25336 B13R2.14001 O=C(O)[C@H]1C[C@H]1NC[C@H]2CCO2 a771c134f22a788d883de9cf4a8af205 [0,0,0,2,0,0|2,0,0]=4 25337 B13R2.14001 O=C(O)[C@H]1C[C@H]1OCC2CCC2 e13681388a3c840c5805f6a2dcae9689 [0,0,0,2,0,0|1,0,0]=3 25338 B13R2.14001 O=C(O)[C@H]1C[C@H]1OCC2CCO2 3721fcb0edcf7c48575232529106ee94 [0,0,0,2,0,0|2,0,0]=4 25339 B13R2.14001 O=C(O)[C@H]1C[C@H]1OCC2COC2 a556bf1e3a797f29485cb8b277ebd46d [0,0,0,2,0,0|2,0,0]=4 25340 B13R2.14001 O=C(O)[C@H]1C[C@H]1OCC2CSC2 027d77fa0bf768d058f719d6dac1e690 [0,0,0,2,0,0|2,0,0]=4 25341 B13R2.14001 O=C(O)[C@H]1C[C@H]1OC[C@@H]2CCO2 1fbee1738fa5ffe9957e388d24d38f86 [0,0,0,2,0,0|2,0,0]=4 25342 B13R2.14001 O=C(O)[C@H]1C[C@H]1OC[C@H]2CCO2 306cb82a04eac7a6b6cb025272157a65 [0,0,0,2,0,0|2,0,0]=4 25343 B13R2.4154 CCCN1CCC2[C@]1(C2)C(=O)O 26037fb506a282404d37386a744f16e6 [0,0,0,2,0,0|1,0,0]=3 25344 B13R2.4154 CCCN1CC[C@@H]2[C@]1(C2)C(=O)O 98f0db798b4d404411d0acea166b0526 [0,0,0,2,0,0|1,0,0]=3 25345 B13R2.4154 CCCN1CC[C@H]2[C@@]1(C2)C(=O)O f3231d9615cd61e178d2e800f442ce75 [0,0,0,2,0,0|1,0,0]=3 25346 B13R2.4154 COCN1CCC2[C@]1(C2)C(=O)O 0b5e234aa36350ac9c40e9283537fcde [0,0,0,2,0,0|2,0,0]=4 25347 B13R2.4154 COCN1CC[C@@H]2[C@]1(C2)C(=O)O f37e008fa5e1f4117d890e802ab878fa [0,0,0,2,0,0|2,0,0]=4 25348 B13R2.4154 COCN1CC[C@H]2[C@@]1(C2)C(=O)O 400b98bda64e0df1e11445d31d58267a [0,0,0,2,0,0|2,0,0]=4 25349 B13R2.4154 CSCN1CCC2[C@]1(C2)C(=O)O e4d09b7d072dadd51da0d02373cdcb16 [0,0,0,2,0,0|2,0,0]=4 25350 B13R2.4154 CSCN1CC[C@@H]2[C@]1(C2)C(=O)O f7270dc1eca27ca4437dd583893b4fc6 [0,0,0,2,0,0|2,0,0]=4 25351 B13R2.4154 CSCN1CC[C@H]2[C@@]1(C2)C(=O)O d2e9c3d38685240c7b7162defd55e970 [0,0,0,2,0,0|2,0,0]=4 25352 B13R2.4154 O=C(O)[C@@]12CC1CCN2CCF 03ec0701b250db570da7d3371d3c08f6 [0,0,0,2,0,0|2,0,0]=4 25353 B13R2.4154 O=C(O)[C@@]12CC1CCN2CCO 7f707ba7682a6f65a2daae75678ba42b [0,0,0,2,0,0|2,0,0]=4 25354 B13R2.4154 O=C(O)[C@@]12CC1CCN2CCS 8e78db51ba020443c7cc18af56525371 [0,0,0,2,0,0|2,0,0]=4 25355 B13R2.4154 O=C(O)[C@@]12C[C@@H]1CCN2CCF 9521eb578e143898ad99173b5125b442 [0,0,0,2,0,0|2,0,0]=4 25356 B13R2.4154 O=C(O)[C@@]12C[C@@H]1CCN2CCO df249c12600671b1375e9f7102f9779d [0,0,0,2,0,0|2,0,0]=4 25357 B13R2.4154 O=C(O)[C@@]12C[C@@H]1CCN2CCS a2547336d95fd9f1c9fe38cd898ef034 [0,0,0,2,0,0|2,0,0]=4 25358 B13R2.4154 O=C(O)[C@]12C[C@H]1CCN2CCF 4bdb0c62e094d009597262b4585187a7 [0,0,0,2,0,0|2,0,0]=4 25359 B13R2.4154 O=C(O)[C@]12C[C@H]1CCN2CCO be7ee586fdf16a3474e8b33fe3a1bdd6 [0,0,0,2,0,0|2,0,0]=4 25360 B13R2.4154 O=C(O)[C@]12C[C@H]1CCN2CCS 411d6ea84d91e5074515a548a01ffe3d [0,0,0,2,0,0|2,0,0]=4 25361 B13R2.4225 CCCN1[C@@H](C[C@H]2[C@@H]1C2)C(=O)O e077551223daad6213ff263e5c72daa9 [0,0,0,2,0,0|1,0,0]=3 25362 B13R2.4225 CCCN1[C@@H]2C[C@@H]2C[C@H]1C(=O)O d3af5c6909af2f6e0af1539e464d15a8 [0,0,0,2,0,0|1,0,0]=3 25363 B13R2.4225 COCN1[C@@H](C[C@H]2[C@@H]1C2)C(=O)O 917df2d3e0cabaa001a66d6cad33cb83 [0,0,0,2,0,0|2,0,0]=4 25364 B13R2.4225 COCN1[C@@H]2C[C@@H]2C[C@H]1C(=O)O c2d5ec44a702debf7074496196144c07 [0,0,0,2,0,0|2,0,0]=4 25365 B13R2.4225 CSCN1[C@@H](C[C@H]2[C@@H]1C2)C(=O)O 925c0704a1ef5641587648e161684bc1 [0,0,0,2,0,0|2,0,0]=4 25366 B13R2.4225 CSCN1[C@@H]2C[C@@H]2C[C@H]1C(=O)O cbd47aee20b3cf2a7871a8350bcdc6ed [0,0,0,2,0,0|2,0,0]=4 25367 B13R2.4225 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1CCF e573b48f50018620715ab2edb6440e0f [0,0,0,2,0,0|2,0,0]=4 25368 B13R2.4225 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1CCO d0ed52fce5c63cb4ade83402d257a4cc [0,0,0,2,0,0|2,0,0]=4 25369 B13R2.4225 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1CCS 4ec8a8a8e8436771a9d3ef676ee5a524 [0,0,0,2,0,0|2,0,0]=4 25370 B13R2.4225 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1CCF 428bd01353df1a69a5c91fd545c3e7ba [0,0,0,2,0,0|2,0,0]=4 25371 B13R2.4225 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1CCO 07c3ca5b098490315bd3ba801fba4845 [0,0,0,2,0,0|2,0,0]=4 25372 B13R2.4225 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1CCS 267251a369697dc6fb61a424f13354a1 [0,0,0,2,0,0|2,0,0]=4 25373 B13R2.4564 CCCN1CC2CC2C1C(=O)O 6dff20664fa28d2649ca3123919b5e64 [0,0,0,2,0,0|1,0,0]=3 25374 B13R2.4564 CCCN1C[C@@H]2C[C@@H]2C1C(=O)O 02cd2ef60140f34c79f82f2747249d9b [0,0,0,2,0,0|1,0,0]=3 25375 B13R2.4564 CCCN1C[C@@H]2C[C@@H]2[C@H]1C(=O)O f00e84bdbcafc7e772cb07a720b94664 [0,0,0,2,0,0|1,0,0]=3 25376 B13R2.4564 COCN1CC2CC2C1C(=O)O 1fd3c4acce77e97d0e3f07eab674582a [0,0,0,2,0,0|2,0,0]=4 25377 B13R2.4564 COCN1C[C@@H]2C[C@@H]2C1C(=O)O 4ea7728f953fd84c9ced3b7381650035 [0,0,0,2,0,0|2,0,0]=4 25378 B13R2.4564 COCN1C[C@@H]2C[C@@H]2[C@H]1C(=O)O 652e4f93a64af97edc6cbf0531bc14da [0,0,0,2,0,0|2,0,0]=4 25379 B13R2.4564 CSCN1CC2CC2C1C(=O)O 0fbae7ba220c1c3cd1fec29e0107ee25 [0,0,0,2,0,0|2,0,0]=4 25380 B13R2.4564 CSCN1C[C@@H]2C[C@@H]2C1C(=O)O d770bc34734e8dcfd3781d601002839f [0,0,0,2,0,0|2,0,0]=4 25381 B13R2.4564 CSCN1C[C@@H]2C[C@@H]2[C@H]1C(=O)O 2b9d95e0d5335356cc51c71e752f78fd [0,0,0,2,0,0|2,0,0]=4 25382 B13R2.4564 O=C(O)C1C2CC2CN1CCF f15b6954c786b0c0669469c7a5361592 [0,0,0,2,0,0|2,0,0]=4 25383 B13R2.4564 O=C(O)C1C2CC2CN1CCO 1a37b927d5bb8c8270776072f8562498 [0,0,0,2,0,0|2,0,0]=4 25384 B13R2.4564 O=C(O)C1C2CC2CN1CCS 1a026e086ebb103f459a7f1f27dbd842 [0,0,0,2,0,0|2,0,0]=4 25385 B13R2.4564 O=C(O)C1[C@H]2C[C@H]2CN1CCF 109c163eda28def1da27a68a9a7c559b [0,0,0,2,0,0|2,0,0]=4 25386 B13R2.4564 O=C(O)C1[C@H]2C[C@H]2CN1CCO 3a8b7644ca1191181493f479cc69f53f [0,0,0,2,0,0|2,0,0]=4 25387 B13R2.4564 O=C(O)C1[C@H]2C[C@H]2CN1CCS 97aa8840cd72815437bf2871f4b3fc05 [0,0,0,2,0,0|2,0,0]=4 25388 B13R2.4564 O=C(O)[C@@H]1[C@H]2C[C@H]2CN1CCF 9d656e2e1c22ef7834a0426f3113735d [0,0,0,2,0,0|2,0,0]=4 25389 B13R2.4564 O=C(O)[C@@H]1[C@H]2C[C@H]2CN1CCO e73266fd660653917a31478c2bde4134 [0,0,0,2,0,0|2,0,0]=4 25390 B13R2.4564 O=C(O)[C@@H]1[C@H]2C[C@H]2CN1CCS 8c0d355a691e91302d8465051b271181 [0,0,0,2,0,0|2,0,0]=4 25391 B13R2.13779 CC(=O)N1[C@H]2CCC[C@@H]1CCC2 fb54e473e846b101cdf821f0f819daf8 [0,0,0,2,0,0|2,0,0]=4 25392 B13R2.249 CCCN1[C@@H]2CC[C@H]1CC(=O)C2 436235673c56fae9d5719c429062d21c [0,0,0,2,0,0|2,0,0]=4 25393 B13R2.5604 NC(=O)CN1CCCC1C2CC2 dce35d964a9b23a183e5ce6756f29e42 [0,0,0,2,0,0|2,0,0]=4 25394 B13R2.5604 NC(=O)CN1CCC[C@@H]1C2CC2 16377fa8c3bef0f618c2be91d6fba772 [0,0,0,2,0,0|2,0,0]=4 25395 B13R2.5604 O=C(O)CN1CCCC1C2CC2 8fd5a678f0fd06ffc76adc50e5047253 [0,0,0,2,0,0|1,0,0]=3 25396 B13R2.5604 O=C(O)CN1CCC[C@@H]1C2CC2 13e1b5787d4b2078397bec882ee76395 [0,0,0,2,0,0|1,0,0]=3 25397 B13R2.684 O=C(O)CC1CCN1CC2CC2 e9569646d3a785c8c9a1f8e9dc31c0c6 [0,0,0,2,0,0|1,0,0]=3 25398 B13R2.1534 CCN1C[C@@H]2CC[C@@H]2[C@@H]1C(=O)O 493e263ec06127f6b308d79d84672612 [0,0,0,2,0,0|1,0,0]=3 25399 B13R2.1534 O=C(O)[C@H]1[C@H]2CC[C@H]2CN1CF 488584a6b75f899e4638ed6f394fde50 [0,0,0,2,0,0|2,0,0]=4 25400 B13R2.1534 O=C(O)[C@H]1[C@H]2CC[C@H]2CN1CO 20b0b6a2a31e2a85283d3497b36e7a5b [0,0,0,2,0,0|2,0,0]=4 25401 B13R2.5574 NC(=O)C1CCCC1OC2CC2 0ec2b0c864b35c3143eb5cf7b2c4e9ff [0,0,0,2,0,0|2,0,0]=4 25402 B13R2.5574 NC(=O)C1CCCN1CC2CC2 6992f07681c73b1ce9bfbb72511412a8 [0,0,0,2,0,0|2,0,0]=4 25403 B13R2.5574 NC(=O)[C@@H]1CCCN1CC2CC2 4c7cba9c84da7364ae3bd4eed38cf921 [0,0,0,2,0,0|2,0,0]=4 25404 B13R2.5574 NC(=O)[C@H]1CCCN1CC2CC2 48a6665119809e5474f1d926f0c147c4 [0,0,0,2,0,0|2,0,0]=4 25405 B13R2.5574 O=C(O)C1CCCC1OC2CC2 01f76dd40cfc5fb74e6c4cf359f0aaae [0,0,0,2,0,0|1,0,0]=3 25406 B13R2.5574 O=C(O)C1CCCN1CC2CC2 458bb03f6d6048cfd451e11d2407c6a3 [0,0,0,2,0,0|1,0,0]=3 25407 B13R2.5574 O=C(O)C1CSCN1CC2CC2 32a52109b193652efffb0b168ebc0caa [0,0,0,2,0,0|2,0,0]=4 25408 B13R2.5574 O=C(O)C1SCCN1CC2CC2 a82fa6d0a996ead546863b4b1e62be9f [0,0,0,2,0,0|2,0,0]=4 25409 B13R2.5574 O=C(O)[C@@H]1CCCN1CC2CC2 5030a48231477777fa8f1a30deb31a6f [0,0,0,2,0,0|1,0,0]=3 25410 B13R2.5574 O=C(O)[C@@H]1CCC[C@@H]1NC2CC2 b0e53a13083a3584f78dea71565265cb [0,0,0,2,0,0|1,0,0]=3 25411 B13R2.5574 O=C(O)[C@@H]1CCC[C@@H]1OC2CC2 679ce9d5bab360ed67f0f0f691d840eb [0,0,0,2,0,0|1,0,0]=3 25412 B13R2.5574 O=C(O)[C@@H]1CCC[C@H]1OC2CC2 e93b1f038740b6e0f6adc96e14d56ec5 [0,0,0,2,0,0|1,0,0]=3 25413 B13R2.5574 O=C(O)[C@@H]1CSCN1CC2CC2 7c390c5f5977730cc3a4b60bdb015f8b [0,0,0,2,0,0|2,0,0]=4 25414 B13R2.5574 O=C(O)[C@H]1CCCN1CC2CC2 7797dfd4022e554b7a482de8f4c84c99 [0,0,0,2,0,0|1,0,0]=3 25415 B13R2.5574 O=C(O)[C@H]1CCC[C@@H]1NC2CC2 6e13229b1111ebd45345863e8a8468b3 [0,0,0,2,0,0|1,0,0]=3 25416 B13R2.5574 O=C(O)[C@H]1CCC[C@H]1NC2CC2 6457b11fb9278f613a8555b97744d7b9 [0,0,0,2,0,0|1,0,0]=3 25417 B13R2.5574 O=C(O)[C@H]1CCC[C@H]1OC2CC2 9b607de29a0d4a797f3464a43e8a676c [0,0,0,2,0,0|1,0,0]=3 25418 B13R2.5574 O=C(O)[C@H]1CSCN1CC2CC2 2416f57696175fc68a5f53d74ff89c36 [0,0,0,2,0,0|2,0,0]=4 25419 B13R2.5545 CC(=O)CCOCC1CC12CC2 06f5bbd9f25c94c0134be7abdcdab8e9 [0,0,0,2,0,0|2,0,0]=4 25420 B13R2.5545 NC(=O)CCNCC1CC12CC2 37cf7210b13ecbed33c60d3ad45be180 [0,0,0,2,0,0|2,0,0]=4 25421 B13R2.5545 NC(=O)CCOCC1CC12CC2 3e3711003199b80069cfcbe061cda07f [0,0,0,2,0,0|2,0,0]=4 25422 B13R2.5545 NC(=O)COCCC1CC12CC2 17b9a9ca3f233c36f68a1c76cbc90428 [0,0,0,2,0,0|2,0,0]=4 25423 B13R2.5545 O=C(O)CCNCC1CC12CC2 847e111033061ef77ab4f3e6e6714594 [0,0,0,2,0,0|1,0,0]=3 25424 B13R2.5545 O=C(O)CCOCC1CC12CC2 59d8a93c52208b941f03bba85fc2134b [0,0,0,2,0,0|1,0,0]=3 25425 B13R2.5545 O=C(O)COCCC1CC12CC2 ba62aa367f3d9e9dba03924d4950be03 [0,0,0,2,0,0|1,0,0]=3 25426 B13R2.5545 O=S(O)CCNCC1CC12CC2 70358e1763412c1f3b827b8b5e390f05 [0,0,0,2,0,0|2,0,0]=4 25427 B13R2.5563 NC(=O)C1CCN1CCC2CC2 45cc99699460d8f116b5b4fcc3bc1d8c [0,0,0,2,0,0|2,0,0]=4 25428 B13R2.5563 NC(=O)[C@@H]1CCN1CCC2CC2 c2877665e94b296eff31e402ffc7f4b1 [0,0,0,2,0,0|2,0,0]=4 25429 B13R2.5563 NC(=O)[C@H]1CCN1CCC2CC2 ba99d5106eba51a4f9cc45e10fbcdd37 [0,0,0,2,0,0|2,0,0]=4 25430 B13R2.5563 O=C(O)C1CCC1OCC2CC2 18187dd57371b120333c395353b33ec2 [0,0,0,2,0,0|1,0,0]=3 25431 B13R2.5563 O=C(O)C1CCN1CCC2CC2 316a6860a80c827a08b9fe3eddc3811f [0,0,0,2,0,0|1,0,0]=3 25432 B13R2.5563 O=C(O)[C@@H]1CCN1CCC2CC2 4bf88ba5acd0a48a073154df5b636711 [0,0,0,2,0,0|1,0,0]=3 25433 B13R2.5563 O=C(O)[C@@H]1CC[C@@H]1NCC2CC2 eb047f5b3522a6206a22e78f1fac1e98 [0,0,0,2,0,0|1,0,0]=3 25434 B13R2.5563 O=C(O)[C@H]1CCN1CCC2CC2 59036ce18c81a9eb101cdb7e9e91ce55 [0,0,0,2,0,0|1,0,0]=3 25435 B13R2.5563 O=C(O)[C@H]1CC[C@@H]1OCC2CC2 412179501afd5c19e039757f27d8109a [0,0,0,2,0,0|1,0,0]=3 25436 B13R2.5566 CC(=O)CCOC1CCC12CC2 06a42f6b25821ad28ea9c834af640c03 [0,0,0,2,0,0|2,0,0]=4 25437 B13R2.5566 NC(=O)CCOC1CCC12CC2 0924025a64f83330432116906fdaa7ed [0,0,0,2,0,0|2,0,0]=4 25438 B13R2.5566 O=C(O)CCOC1CCC12CC2 ec2126ce9b4f3c793fac638b32c0a070 [0,0,0,2,0,0|1,0,0]=3 25439 B13R2.13691 O=C(O)C1CC1CNCC2CC2 3ccc0c50495afbc886a7c3fed6ebdba7 [0,0,0,2,0,0|1,0,0]=3 25440 B13R2.13691 O=C(O)C1CC1COCC2CC2 a05039d80384a4c03cdb7e8ca2787b5a [0,0,0,2,0,0|1,0,0]=3 25441 B13R2.13691 O=C(O)[C@@H]1C[C@@H]1COCC2CC2 0c75f54921653eebac4e98e5d41fdd08 [0,0,0,2,0,0|1,0,0]=3 25442 B13R2.13691 O=C(O)[C@@H]1C[C@@H]1NCCC2CC2 a09613bdbdfd1de50bd49c48e5d0d030 [0,0,0,2,0,0|1,0,0]=3 25443 B13R2.13691 O=C(O)[C@@H]1C[C@@H]1NCCN2CC2 e2d5239f2c585eaa438bd28d462080fb [0,0,0,2,0,0|2,0,0]=4 25444 B13R2.13691 O=C(O)[C@@H]1C[C@@H]1OCCC2CC2 de642538de87f35017a10f1eea1ed28e [0,0,0,2,0,0|1,0,0]=3 25445 B13R2.13691 O=C(O)[C@@H]1C[C@@H]1OCCN2CC2 83d8032489eb8b44ea5828eb2ef4cc93 [0,0,0,2,0,0|2,0,0]=4 25446 B13R2.13691 O=C(O)[C@@H]1C[C@H]1CNCC2CC2 1ef1fb81e59975fc96de5f89524cb351 [0,0,0,2,0,0|1,0,0]=3 25447 B13R2.13691 O=C(O)[C@@H]1C[C@H]1COCC2CC2 189f9703b57e3c0a733582da9ef18279 [0,0,0,2,0,0|1,0,0]=3 25448 B13R2.13691 O=C(O)[C@H]1C[C@@H]1COCC2CC2 86fd1ae63235d744db0688772d7f9323 [0,0,0,2,0,0|1,0,0]=3 25449 B13R2.13691 O=C(O)[C@H]1C[C@@H]1NCCC2CC2 27da4e7936021355e54342b669289c31 [0,0,0,2,0,0|1,0,0]=3 25450 B13R2.13691 O=C(O)[C@H]1C[C@@H]1NCCN2CC2 2a8fa95f9d73b2c7c1a63b4cf5d6a397 [0,0,0,2,0,0|2,0,0]=4 25451 B13R2.13691 O=C(O)[C@H]1C[C@@H]1OCCC2CC2 96780a45d71f5633fe92e5cd4ef9c3f2 [0,0,0,2,0,0|1,0,0]=3 25452 B13R2.13691 O=C(O)[C@H]1C[C@@H]1OCCN2CC2 e70c9eedc07c246b04c1f0d51635677a [0,0,0,2,0,0|2,0,0]=4 25453 B13R2.13691 O=C(O)[C@H]1C[C@H]1NCCC2CC2 d21d0aca07e87d0cae0dac851786c799 [0,0,0,2,0,0|1,0,0]=3 25454 B13R2.13691 O=C(O)[C@H]1C[C@H]1NCCN2CC2 8846a9a6ecf07605652aca8b042e604d [0,0,0,2,0,0|2,0,0]=4 25455 B13R2.13691 O=C(O)[C@H]1C[C@H]1OCCC2CC2 fdc9182479a9a759905b6336db773acb [0,0,0,2,0,0|1,0,0]=3 25456 B13R2.13691 O=C(O)[C@H]1C[C@H]1OCCN2CC2 93093da03b71efe73839273a3cdd2f95 [0,0,0,2,0,0|2,0,0]=4 25457 B13R2.1280 CC(=O)NC1CCC2CC2CC1 36b58ed21d8780bffc15e7ea6644a955 [0,0,0,2,0,0|2,0,0]=4 25458 B13R2.1963 CO[C@H]1C[C@H]1N[C@@H]2C[C@@H]2C(=O)O 8688a1a0015b0ac4e39298fab9b7a3ba [0,0,0,2,0,0|2,0,0]=4 25459 B13R2.1963 CO[C@H]1C[C@H]1N[C@H]2C[C@@H]2C(=O)O 8180d2af1958e123b753d03341292325 [0,0,0,2,0,0|2,0,0]=4 25460 B13R2.1963 CO[C@H]1C[C@H]1N[C@H]2C[C@H]2C(=O)O b093449754eb8edc205f8cb150da203b [0,0,0,2,0,0|2,0,0]=4 25461 B13R2.1963 O=C(O)[C@@H]1C[C@@H]1N[C@@H]2C[C@H]2CO a226e2f01332716791a281829497da8f [0,0,0,2,0,0|2,0,0]=4 25462 B13R2.1963 O=C(O)[C@@H]1C[C@@H]1N[C@H]2C[C@@H]2CO 6c89cad188c1fa06d307a0d5826b008e [0,0,0,2,0,0|2,0,0]=4 25463 B13R2.1963 O=C(O)[C@@H]1C[C@@H]1N[C@H]2C[C@H]2CO 79198389260b116352c8cc7c8d12a5ea [0,0,0,2,0,0|2,0,0]=4 25464 B13R2.1963 O=C(O)[C@H]1C[C@@H]1N[C@@H]2C[C@H]2CO 663fa6de98e551760ad26d92ffa6f18e [0,0,0,2,0,0|2,0,0]=4 25465 B13R2.1963 O=C(O)[C@H]1C[C@@H]1N[C@H]2C[C@@H]2CO 47d3a00f24bd7b3eaede3ed3732cdcab [0,0,0,2,0,0|2,0,0]=4 25466 B13R2.1963 O=C(O)[C@H]1C[C@@H]1N[C@H]2C[C@H]2CO 10799e4edb393c46a96a2aa13e9311dd [0,0,0,2,0,0|2,0,0]=4 25467 B13R2.1963 O=C(O)[C@H]1C[C@H]1N[C@@H]2C[C@H]2CO 56bcf6fb89542bc48827973b0afe0ab2 [0,0,0,2,0,0|2,0,0]=4 25468 B13R2.1963 O=C(O)[C@H]1C[C@H]1N[C@H]2C[C@@H]2CO 20fe9bc7ee2a94a9c2ff62bf37645a01 [0,0,0,2,0,0|2,0,0]=4 25469 B13R2.1963 O=C(O)[C@H]1C[C@H]1N[C@H]2C[C@H]2CO 2ad58ef677d14c88d1f1262b079acc33 [0,0,0,2,0,0|2,0,0]=4 25470 B13R2.1663 CCC1CCN1[C@@H]2C[C@@H]2C(=O)O 0921eed1fe7a2b9e9cd0d4b5293e1b57 [0,0,0,2,0,0|1,0,0]=3 25471 B13R2.1663 CCC1CCN1[C@H]2C[C@@H]2C(=O)O 3c0d26952e9cbacdadaecb38a27d2e43 [0,0,0,2,0,0|1,0,0]=3 25472 B13R2.1663 CCC1CCN1[C@H]2C[C@H]2C(=O)O a7f80d8b6ed82badb555f46795a89db8 [0,0,0,2,0,0|1,0,0]=3 25473 B13R2.1663 O=C(O)[C@@H]1C[C@@H]1N2CCC2CO b46a62e68c8f804e41117540a9887267 [0,0,0,2,0,0|2,0,0]=4 25474 B13R2.1663 O=C(O)[C@@H]1C[C@@H]1N2CC[C@@H]2CO 2bdc53db1c5ea47df2460bab9733da42 [0,0,0,2,0,0|2,0,0]=4 25475 B13R2.1663 O=C(O)[C@@H]1C[C@@H]1N2CC[C@H]2CO 97b6dd3cf9e28c16f4c7e5842f7d2e20 [0,0,0,2,0,0|2,0,0]=4 25476 B13R2.1663 O=C(O)[C@H]1C[C@@H]1N2CCC2CO 39fd33b485501570ea6f8c978b646147 [0,0,0,2,0,0|2,0,0]=4 25477 B13R2.1663 O=C(O)[C@H]1C[C@@H]1N2CC[C@@H]2CO 159ada25a3ad88958252cad47de75b57 [0,0,0,2,0,0|2,0,0]=4 25478 B13R2.1663 O=C(O)[C@H]1C[C@@H]1N2CC[C@H]2CO 83d5d2c2eb839ad9b7175bea2e76c6a3 [0,0,0,2,0,0|2,0,0]=4 25479 B13R2.1663 O=C(O)[C@H]1C[C@H]1N2CCC2CO a935eb9030d48086f00ae3068e1550da [0,0,0,2,0,0|2,0,0]=4 25480 B13R2.1663 O=C(O)[C@H]1C[C@H]1N2CC[C@@H]2CO c3cf931bc9dafa640cedf47b7ce7169b [0,0,0,2,0,0|2,0,0]=4 25481 B13R2.1663 O=C(O)[C@H]1C[C@H]1N2CC[C@H]2CO f71993baa6c32a07d94b6003e46881b5 [0,0,0,2,0,0|2,0,0]=4