0 B28R1.1482442029 C=C(Br)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 48017812f97f0eb7ffbf88f2ab67737d [0,0,0,0,0,0|2,0,0]=2 1 B28R1.1482442029 C=C(C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 9ec580a84cca0e9d0cf2711c63091d3c [0,0,0,0,0,0|2,0,0]=2 2 B28R1.1482442029 C=C(Cl)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 0fd08875c9357f530da8b4af52609e85 [0,0,0,0,0,0|2,0,0]=2 3 B28R1.1482442029 C=C(F)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 72e7bb121faec0697505ee2f6cfde7d9 [0,0,0,0,0,0|2,0,0]=2 4 B28R1.1482442029 CC(C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 3674a8ddc98043647cb305178a2449fb [0,0,0,0,0,0|2,0,1]=3 5 B28R1.1482442029 CC(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O c0c4cbf6f3fe5ff7fbe1f8fd55f663ad [0,0,0,0,0,0|1,0,1]=2 6 B28R1.1482442029 CN(C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O ee89d32df8d2590c629ca4e6e4381cc2 [0,0,0,0,0,0|3,0,0]=3 7 B28R1.1482442029 C[C@@H](O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 8e4b778981fe3ed1bdb720031eab1295 [0,0,0,0,0,0|1,0,1]=2 8 B28R1.1482442029 C[C@H](O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 38e145c4fbfa7a38a1b6a9e21626a840 [0,0,0,0,0,0|1,0,1]=2 9 B28R1.1482442029 NC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O c72fae28b8e2dec67e18ebea0363c62c [0,0,0,0,0,0|1,0,0]=1 10 B28R1.1482442029 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 8e1904674ab4238c6ff3fd2467212eb9 [0,0,0,0,0,0|0,0,0]=0 11 B28R1.1482442029 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(F)F)CC(=O)O efe0deb85cc4323ba2b6ed6c31571aaa [0,0,0,0,0,0|2,0,1]=3 12 B28R1.1482442029 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C[N+](=O)[O-])CC(=O)O 8942a340f08d4569ba8828c7d195d72b [0,0,0,0,0,0|1,0,1]=2 13 B27R1.2028090795 C#CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 65ef46d70a5f716825ebd9ec64d318f5 [1,0,0,0,0,0|1,0,1]=3 14 B27R1.2028090795 C=CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O fb6ba03c7c7657e94e9ec027bd44fb1b [1,0,0,0,0,0|1,0,0]=2 15 B27R1.2028090795 CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 7f334fd3842bf7049c7dc0c522d36e32 [1,0,0,0,0,0|1,0,1]=3 16 B27R1.2028090795 COCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O d2cba48d478cea5d6b412a1b9c905444 [1,0,0,0,0,0|2,0,0]=3 17 B27R1.2028090795 CSCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 15bb33ef8465e7f74326670a4fb2ec9e [1,0,0,0,0,0|2,0,0]=3 18 B27R1.2028090795 N#CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 5963540c867b2860c3320f73dc41df17 [1,0,0,0,0,0|1,0,1]=3 19 B27R1.2028090795 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCF b62d465f62a0ce8eb9622eca8b09c51d [1,0,0,0,0,0|1,0,1]=3 20 B27R1.2028090795 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCO 7967d6ee22e1d406ca6f4d17901b88dc [1,0,0,0,0,0|0,0,1]=2 21 B27R1.2028090795 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCS 1a92ac3883bb3ef89105de90f83004fa [1,0,0,0,0,0|0,1,1]=3 22 B27R1.2028090795 O=CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O e714afebb674766eac458b7ab39815bd [1,0,0,0,0,0|0,0,0]=1 23 B29R1.1694987155 CC(=O)C(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O d1e9e092d3b9137e8525fb681cd23308 [0,1,0,0,0,0|1,0,0]=2 24 B29R1.1694987155 CC(C(=O)N)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O da8c361d6301d879ed38785315d28c97 [0,1,0,0,0,0|1,0,0]=2 25 B29R1.1694987155 CC(C(=O)O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O b4b73180c3d3635dbc5ee38f34cb19a8 [0,1,0,0,0,0|0,0,0]=1 26 B29R1.1694987155 CC(C)C(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 815fccf31cfe562110407338ee5759d7 [0,1,0,0,0,0|2,0,1]=4 27 B29R1.1694987155 C[C@@H](C(=O)N)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 3289664429cfdbe37a8b938279138d3b [0,1,0,0,0,0|1,0,0]=2 28 B29R1.1694987155 C[C@@H](C(=O)O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 659a6b068b1a9cdec433929eacd4338e [0,1,0,0,0,0|0,0,0]=1 29 B29R1.1694987155 C[C@H](C(=O)N)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O e44f48d37e569f2b73415ae573eb57bf [0,1,0,0,0,0|1,0,0]=2 30 B29R1.1694987155 C[C@H](C(=O)O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O d850d925e4d9437869051dfd979c9dfc [0,1,0,0,0,0|0,0,0]=1 31 B29R1.1694987155 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C(F)C(=O)O)CC(=O)O 1a8b07f7238487955594a08a52b9e91b [0,1,0,0,0,0|0,0,0]=1 32 B29R1.1694987155 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)[C@@H](F)C(=O)O)CC(=O)O ad1b59a394b60451d522f3215c65aa5c [0,1,0,0,0,0|0,0,0]=1 33 B29R1.1694987162 CC(C)(C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 06ae34ae80360d7ce985fd9f475fa5dd [0,1,0,0,0,0|2,0,1]=4 34 B29R1.1694987162 CC(C)(F)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 7c7aa4aca23110b714258853a68c23aa [0,1,0,0,0,0|2,0,1]=4 35 B29R1.1694987162 CC(C)(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 5d6bd8da1cd5578ef0476b236ee8b2c6 [0,1,0,0,0,0|1,0,1]=3 36 B29R1.1694987162 CC(F)(F)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O d64c46334709f2f7e811c3630ddada87 [0,1,0,0,0,0|2,0,1]=4 37 B29R1.1694987162 CS(=O)(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O e1f9901442e256995527510a369a13c8 [0,1,0,0,0,0|1,0,1]=3 38 B29R1.1694987162 NS(=O)(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O aa404a98ddd832af1f74c2143f1c412d [0,1,0,0,0,0|1,0,1]=3 39 B29R1.1694987162 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(F)(F)F)CC(=O)O fedb1380b6bf7eefbf113a6d3cd131b6 [0,1,0,0,0,0|2,0,1]=4 40 B29R1.1694987162 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CS(=O)(=O)O)CC(=O)O cd36c67e07de820c72c6be70bf9b1cd1 [0,1,0,0,0,0|1,0,0]=2 41 B29R1.6035257992 C=C(C#N)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 47dc176345bc8c405e313b27a02a4e10 [0,1,0,0,0,0|2,0,0]=3 42 B29R1.6035257992 C=C(CC)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 368409845d8c1fe0c26bed5572c6fca2 [0,1,0,0,0,0|2,0,0]=3 43 B29R1.6035257992 C=C(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)OC b2705d4899c14fcb0ee58dfaf3df346d [0,1,0,0,0,0|1,0,0]=2 44 B29R1.6035257992 C=C(CO)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 63bd3487d3f59dcc4576deca7af2731b [0,1,0,0,0,0|1,0,0]=2 45 B29R1.6035257992 CC(C#N)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 77ce6b31cf35a63b2474315e317799e8 [0,1,0,0,0,0|2,0,1]=4 46 B29R1.6035257992 CC(CO)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 9ac8eba6d7f5c0d8b46f6832d31ec847 [0,1,0,0,0,0|1,0,1]=3 47 B29R1.6035257992 CCC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 896281e6daa6561e18e350cd6ee5f077 [0,1,0,0,0,0|1,0,0]=2 48 B29R1.6035257992 CCC(C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 8673a71e6986934a72acffe66966a608 [0,1,0,0,0,0|2,0,1]=4 49 B29R1.6035257992 CCC(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 12a7e1c86ed8d3921ad3d0cbdac71535 [0,1,0,0,0,0|1,0,1]=3 50 B29R1.6035257992 CC[C@@H](C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 00aabc136e8a7b54a3092b9eb2f1b841 [0,1,0,0,0,0|2,0,1]=4 51 B29R1.6035257992 CC[C@H](C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 210a40696a2c23bf942e8e9a530093d4 [0,1,0,0,0,0|2,0,1]=4 52 B29R1.6035257992 CNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 3cf236239b3c1d52b7918f30bcac65c3 [0,1,0,0,0,0|1,0,0]=2 53 B29R1.6035257992 COC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O e78c17cea48f7d72d7e9f4dff66ef28a [0,1,0,0,0,0|0,0,0]=1 54 B29R1.6035257992 COC(C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 2964a8dc00d2ec11c0def064c6af7eca [0,1,0,0,0,0|1,0,1]=3 55 B29R1.6035257992 CO[C@@H](C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O bb70c50b3841cb0960ed5a46a1915b08 [0,1,0,0,0,0|1,0,1]=3 56 B29R1.6035257992 CO[C@H](C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 11b6bac48cdaab9d13544c4fc48b5477 [0,1,0,0,0,0|1,0,1]=3 57 B29R1.6035257992 C[C@@H](CO)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 7e9069a37b6145bb5a5ee9c7a5b496b8 [0,1,0,0,0,0|1,0,1]=3 58 B29R1.6035257992 C[C@H](CO)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O de9e1bbc36673bb01d9ddddcdeb41184 [0,1,0,0,0,0|1,0,1]=3 59 B29R1.6035257992 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C/C(=C/Cl)/Cl)CC(=O)O d120024f681a322bc4fb0f70e4339227 [0,1,0,0,0,0|2,0,0]=3 60 B29R1.6035257992 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)CO)CC(=O)O 4c25ab31b7e18d4f81a5d167c8c9bfc3 [0,1,0,0,0,0|0,0,0]=1 61 B29R1.6035257992 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(O)CF)CC(=O)O b6c7308343bada1abdab5af19f9b1b56 [0,1,0,0,0,0|1,0,1]=3 62 B29R1.6035257992 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(O)CO)CC(=O)O aa5cc1a036039064d71853a276de2918 [0,1,0,0,0,0|0,0,2]=3 63 B29R1.6035257992 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C[C@@H](O)CO)CC(=O)O ee7a5b84847e7224a7f0fd23cf543379 [0,1,0,0,0,0|0,0,2]=3 64 B29R1.6035257992 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C[C@H](O)CO)CC(=O)O a70bc49bf3926c3a069d05bc2a54ff4d [0,1,0,0,0,0|0,0,2]=3 65 B29R2.22499318093 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC2CC2)CC(=O)O dbfcf2d46fdd0dd219499276d40e989b [0,0,0,1,0,0|2,0,1]=4 66 B27R1.656559721 CC(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 2b535a1e5f18462c4ba19251cf4bc0fa [0,0,0,0,1,0|2,0,1]=4 67 B29R1.4129329820 C/C(=C/CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)/I c223591ba062946e475099661527c787 [0,0,0,0,0,1|2,0,0]=3 68 B29R1.4129329820 C/C(=C\CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)/Cl 4fd1ae1204657221624867e4fbb55992 [0,0,0,0,0,1|2,0,0]=3 69 B29R1.4129329820 C=C(C)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O c10484aaa3196f4b0fc9b6197bfb9ea9 [0,0,0,0,0,1|2,0,0]=3 70 B29R1.4129329820 CC(=CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)C 81d35796b6ef7678ba048552ebf722c2 [0,0,0,0,0,1|2,0,0]=3 71 B29R1.4129329820 CC(=CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)Cl 93c31e81f65691c5f2b00f406d054e17 [0,0,0,0,0,1|2,0,0]=3 72 B29R1.4129329820 CC(=CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)I fdc69a5e7408d11b65e2030f38bae3df [0,0,0,0,0,1|2,0,0]=3 73 B29R1.4129329820 CC(=O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 4ab6a073a805afd657b98341dee2cd2c [0,0,0,0,0,1|1,0,0]=2 74 B29R1.4129329820 CC(=O)OCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 31661e4a64e74a1ad29ac460b867d303 [0,0,0,0,0,1|1,0,0]=2 75 B29R1.4129329820 CC(C)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 68f6ec38c1bf891769d7bf42727773c5 [0,0,0,0,0,1|2,0,1]=4 76 B29R1.4129329820 CC(C)OCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 385f53bf887c881631dcba340c179a5e [0,0,0,0,0,1|2,0,1]=4 77 B29R1.4129329820 CC(O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 6c1cba327a343f6b82669c3b1347b307 [0,0,0,0,0,1|1,0,1]=3 78 B29R1.4129329820 CN(C)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 12374ac7247d867f1d9cdd8493890585 [0,0,0,0,0,1|3,0,0]=4 79 B29R1.4129329820 CS(=O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 77093aba2352f31a42654933c58b4c54 [0,0,0,0,0,1|2,0,0]=3 80 B29R1.4129329820 NC(=O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 56d8d4076951fd962112f17aaff5a715 [0,0,0,0,0,1|1,0,0]=2 81 B29R1.4129329820 NC(=O)SCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 63f828784a0ef18dad2af9a224bba8b0 [0,0,0,0,0,1|1,0,0]=2 82 B29R1.4129329820 O=C(O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 5e11db8902dad187c441cdb14f52dcd7 [0,0,0,0,0,1|0,0,0]=1 83 B29R1.4129329820 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC=C(Cl)Cl 72d6e35742aba59813deab323054c33f [0,0,0,0,0,1|2,0,0]=3 84 B26R1.390396362 CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 644eaa9ee35c852777b1a02f66ab98eb [2,0,0,0,0,0|0,0,1]=3 85 B26R1.390396362 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CF 95ffc15759acb30085a33b28758f2c55 [2,0,0,0,0,0|1,0,0]=3 86 B26R1.390396362 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CO e7f9045700d4f40be5c70345a7634854 [2,0,0,0,0,0|0,0,0]=2 87 B28R1.3318741764 C#CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 628ff7c23f0e0e8bcb630c77418a7c86 [1,1,0,0,0,0|1,0,1]=4 88 B28R1.3318741764 C/C=C/CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O a730d77cc74e1c119ba93da0913d95d0 [1,1,0,0,0,0|1,0,0]=3 89 B28R1.3318741764 C/C=C\CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O f0d7542636a39f2dfcfe08a519c71740 [1,1,0,0,0,0|1,0,0]=3 90 B28R1.3318741764 C=CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 6c084f241ada9343f41a6737cae45d18 [1,1,0,0,0,0|1,0,0]=3 91 B28R1.3318741764 CCCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O f117a2601843939a0ccde77a4ff06524 [1,1,0,0,0,0|1,0,1]=4 92 B28R1.3318741764 CCOCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 024496d52c197b74c569549d1dd73010 [1,1,0,0,0,0|1,0,1]=4 93 B28R1.3318741764 COCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O bc6a1b88fb3dc24759d5b3b3f81dea20 [1,1,0,0,0,0|0,0,1]=3 94 B28R1.3318741764 CSCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O d29fb6fe14a52119a5efc5fff81fec12 [1,1,0,0,0,0|0,1,1]=4 95 B28R1.3318741764 N#CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O c72d14268461d4d196a6d9f41d3a56df [1,1,0,0,0,0|1,0,1]=4 96 B28R1.3318741764 N#CSCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O b35fa45d99645c7e5fbf315cdd6ec56c [1,1,0,0,0,0|1,0,1]=4 97 B28R1.3318741764 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)C/C=C/Cl 51860d627a797ecc3df6f5bb97841973 [1,1,0,0,0,0|1,0,0]=3 98 B28R1.3318741764 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)C/C=C\Cl e5404ea62dd61c832c7fa77828a54d13 [1,1,0,0,0,0|1,0,0]=3 99 B28R1.3318741764 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)C/C=C\O 035dd0e5af1430d47d15fb476a5a72cd [1,1,0,0,0,0|0,0,0]=2 100 B28R1.3318741764 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCCF 749a5a4cd13a0dac371b5723ad2ac7fe [1,1,0,0,0,0|1,0,1]=4 101 B28R1.3318741764 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCCO a3999ce79c57edd75e9bd4e46f670b6f [1,1,0,0,0,0|0,0,1]=3 102 B28R1.3318741764 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCCS a18720b70a22ea4b3a9de9b5bfd8d911 [1,1,0,0,0,0|0,1,1]=4 103 B28R1.3318741764 O=CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 7e1bce4d7022425373fae011b791e6de [1,1,0,0,0,0|0,0,0]=2 104 B28R1.5360606793 C#CC(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 006c0f3b785654bef08a02354b9023f1 [1,1,0,0,0,0|1,0,1]=4 105 B28R1.5360606793 C=CC(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O c769cd3b799f6e561d6a2ba3f018d613 [1,1,0,0,0,0|1,0,0]=3 106 B28R1.5360606793 CC(C#N)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 741a8ab7905c5a5fc12391458f155c5e [1,1,0,0,0,0|1,0,1]=4 107 B28R1.5360606793 CC(C=O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 653ad4cb6eabbd6c2c812174b6754277 [1,1,0,0,0,0|0,0,0]=2 108 B28R1.5360606793 CC(CO)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 82d8986541e4053b66b7e8b450620219 [1,1,0,0,0,0|0,0,1]=3 109 B28R1.5360606793 CCC(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 356c541a54b641d499cd082209a12086 [1,1,0,0,0,0|1,0,1]=4 110 B28R1.5360606793 C[C@@H](CO)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 1c750dd5732f802bd6f49f59a939bb5c [1,1,0,0,0,0|0,0,1]=3 111 B28R1.5360606793 C[C@H](C=O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O cdb4e1b45f2b60c97a9965dc435052cd [1,1,0,0,0,0|0,0,0]=2 112 B28R1.5360606793 C[C@H](CO)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 0da5d00490ccdea416b73d8a4f2c5334 [1,1,0,0,0,0|0,0,1]=3 113 B28R1.5360606793 N#CC(F)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O e8698568d1dc4313bfd57d88b5340cf6 [1,1,0,0,0,0|1,0,1]=4 114 B30R1.1364054499 CC(CO)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 129463e54bd11bb0bd27c5a71c13c3d5 [0,1,0,0,0,1|1,0,1]=4 115 B30R1.1364054499 CCC(=O)OCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 1ccf8c5fa925194c1d28ba9da5e430a5 [0,1,0,0,0,1|1,0,0]=3 116 B30R1.1364054499 CCS(=O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 4a76e3e6ff18437713730d94d0281869 [0,1,0,0,0,1|2,0,0]=4 117 B30R1.1364054499 CNC(=O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O c757a9945099d4c3224d0ee4542ab014 [0,1,0,0,0,1|1,0,0]=3 118 B30R1.1364054499 COC(=O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O bc982a245b6b2689b839d0562f3c1c49 [0,1,0,0,0,1|0,0,0]=2 119 B30R1.1364054499 COC(=O)OCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O a9fe544f9c1637020d641b9358fbdb65 [0,1,0,0,0,1|0,0,0]=2 120 B30R1.1444257196 C=C(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)O 6853736060e0a3579b284ee721dd56fc [0,1,0,0,0,1|0,0,0]=2 121 B30R1.1444257196 C=C(I)[C@H](C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O c4f3ccdcb22554132450ce4eb077af2c [0,1,0,0,0,1|2,0,0]=4 122 B30R1.1444257196 CC(=O)C(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 7ceade9c23a85f8a51c12fdf55c6ae19 [0,1,0,0,0,1|1,0,0]=3 123 B30R1.1444257196 CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)O 439bbc4c356ca9c4eabc61f202d9dd1a [0,1,0,0,0,1|0,0,0]=2 124 B30R1.1444257196 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=C(Cl)Cl)Cl)CC(=O)O 58a288b627e4f9b6977d3d6e86ed005d [0,1,0,0,0,1|2,0,0]=4 125 B30R1.1444257196 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)C(=O)O)CC(=O)O a777fa2076e6a9721b53cdfb6cbb5f6b [0,1,0,0,0,1|0,0,0]=2 126 B30R1.1444257196 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(O)C(=O)O)CC(=O)O 80bd0786d95f16c0b797dd2e1f49eec0 [0,1,0,0,0,1|0,0,0]=2 127 B30R1.1444257196 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C[C@H](O)C(=O)O)CC(=O)O a2a9b04aa7a46a49113b2ad2b364313b [0,1,0,0,0,1|0,0,0]=2 128 B30R1.1444257243 CC(=O)OC(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 62faa3e4455f6475bd006621b4db1882 [0,1,0,0,0,1|1,0,0]=3 129 B30R1.1444257243 CC(CC(=O)O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O d8bbd32dbe993a07257a091913985b8c [0,1,0,0,0,1|0,0,0]=2 130 B30R1.2064447812 CC(C)(O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 34b6ccd45fbce6c404dd93b5b37723d9 [0,1,0,0,0,1|1,0,1]=4 131 B30R1.2064447812 CS(=O)(=O)CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O ca245d7768fa1354a6a8ccc34ecc47fb [0,1,0,0,0,1|1,0,1]=4 132 B30R1.2064447812 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCS(=O)(=O)O b0f8431234a8eedfbd310df479ff7774 [0,1,0,0,0,1|1,0,0]=3 133 B30R1.2064447812 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)COS(=O)(=O)Cl 39538516812904b032d4149e28522a35 [0,1,0,0,0,1|1,0,1]=4 134 B30R1.1444257185 CC(N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)C(C)(C)O 2da967cd356992c92a73a799ab605d19 [0,2,0,0,0,0|1,0,1]=4 135 B30R1.1590324818 CCC(=O)C(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O ad767942df7d5775b16b693c1ed089a2 [0,2,0,0,0,0|1,0,0]=3 136 B30R1.1590324818 CNC(=O)C(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 79677891e813d4583fc686efda0a5c8d [0,2,0,0,0,0|1,0,0]=3 137 B30R1.1590324818 COC(=O)C(C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O d6e294c898e8e6e664bd49f75c434389 [0,2,0,0,0,0|0,0,0]=2 138 B30R1.1590324818 COC(=O)[C@@H](C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O e8f227e54680986f90ba1513117e570d [0,2,0,0,0,0|0,0,0]=2 139 B30R1.1590324818 COC(=O)[C@H](C)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O dfc2df3a9d08bcaa9f3a1e035ae5b7fd [0,2,0,0,0,0|0,0,0]=2 140 B30R1.1621724320 CCC(C(=O)N)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 5b70b8c90e13ccd9dbfba0d6279dbcd0 [0,2,0,0,0,0|1,0,0]=3 141 B30R1.1621724320 CCC(C(=O)O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 726def7cfa926bf4bf4cfe5b43a4ab81 [0,2,0,0,0,0|0,0,0]=2 142 B30R1.1621724320 CC[C@@H](C(=O)O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O a97ebdd15b519d048e72957fe0adde29 [0,2,0,0,0,0|0,0,0]=2 143 B30R1.1621724320 CC[C@H](C(=O)O)N1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 88f6eb34d9e1c6ef9e9bed55960b81fc [0,2,0,0,0,0|0,0,0]=2 144 B30R1.1621724320 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C(CF)C(=O)O)CC(=O)O 4b9c5851ce0606d30865241642ab6e55 [0,2,0,0,0,0|0,0,0]=2 145 B30R1.1621724320 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C(CO)C(=O)O)CC(=O)O 87d182a800c5dea54c07f8109e39a613 [0,2,0,0,0,0|0,0,0]=2 146 B30R1.1621724320 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)[C@@H](CO)C(=O)O)CC(=O)O ef7b7091c64aae4723de0a8739dc3fd3 [0,2,0,0,0,0|0,0,0]=2 147 B30R1.1621724320 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)[C@H](CO)C(=O)O)CC(=O)O 13333a85a10710e40316fe5c72bf7b6e [0,2,0,0,0,0|0,0,0]=2 148 B30R1.1870828910 CC(C)(CO)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O c2a4d2361a4b346a28b2f9e4c2f4181a [0,2,0,0,0,0|1,0,1]=4 149 B30R1.1870828910 CCS(=O)(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 735ecac86542e1779d5e6dd82d5c4365 [0,2,0,0,0,0|1,0,1]=4 150 B30R1.1870828910 CNS(=O)(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 972c29bf25069d73f5fdb327792bbe73 [0,2,0,0,0,0|1,0,1]=4 151 B30R1.1870828910 COC(C)(C)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 9a0e603d7800e7540f2b8d2eda1ef1ea [0,2,0,0,0,0|1,0,1]=4 152 B30R1.1546806760 C=COC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 5c5ae9a153d161cb8215e65985f8c34f [0,2,0,0,0,0|0,0,0]=2 153 B30R1.1546806760 CCCC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 508edeb46f29a31c989c902426042d7a [0,2,0,0,0,0|1,0,0]=3 154 B30R1.1546806760 CCNC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 4dc2e4e332500562a0c298dacf5f97a5 [0,2,0,0,0,0|1,0,0]=3 155 B30R1.1546806760 CCOC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O f9b4840974dd4cbf78d5f70ef17e8afc [0,2,0,0,0,0|0,0,0]=2 156 B30R1.1546806760 COCC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 03bb79a67633062fb0a16546b5500cbc [0,2,0,0,0,0|0,0,0]=2 157 B30R1.1546806760 COCC(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O ccdae495d08ed857dd4b95eec653ed56 [0,2,0,0,0,0|0,0,2]=4 158 B30R1.1546806760 N#CCC(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 25aaf03ef1a89ccc4e8c7e6caf97f355 [0,2,0,0,0,0|1,0,1]=4 159 B30R1.1546806760 N#CC[C@@H](O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 03d491a62fc0e847e71451bd869538e9 [0,2,0,0,0,0|1,0,1]=4 160 B30R1.1546806760 N#CC[C@H](O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 07b897601d4bace769dd84812ba3fb26 [0,2,0,0,0,0|1,0,1]=4 161 B30R1.1546806760 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)NCO)CC(=O)O 660a17dc727d728da6f1568b80b20183 [0,2,0,0,0,0|0,0,0]=2 162 B30R1.1546806760 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C[C@@H](O)CCO)CC(=O)O c2cb70878773f56d8c0f3ec36c820409 [0,2,0,0,0,0|0,0,2]=4 163 B30R1.1970546264 CCC(CO)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O bd2e84e0cef8a8e9f9d209334e56b37b [0,2,0,0,0,0|1,0,1]=4 164 B30R1.1970546264 COC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)OC ff53f69ae124ae9e6eb668a8dcd570cc [0,2,0,0,0,0|0,0,2]=4 165 B28R2.14803830526 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C2CC2)CC(=O)O f0a0d77e765c189cc8bc970f5c55a5e5 [1,0,0,1,0,0|1,0,1]=4 166 B30R2.10793038429 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C2CC(=O)C2)CC(=O)O 43870d0413e30941e6c5218e17c0f63b [0,0,0,1,0,1|1,0,0]=3 167 B30R2.10793038429 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C2CC(C2)O)CC(=O)O 51c8d757c62313000874f430025aea94 [0,0,0,1,0,1|1,0,1]=4 168 B30R2.10748133920 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C2CCC2=O)CC(=O)O 36d8a87e91132b8bb5242230ae6c0b1c [0,1,0,1,0,0|1,0,0]=3 169 B30R2.21072902074 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC2CCO2)CC(=O)O aaeee10b8e1e28db1a97e5e5158f60d5 [0,1,0,1,0,0|1,0,1]=4 170 B30R2.21072902074 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC2COC2)CC(=O)O 985d75616dae4f75e8297a7ce8af179e [0,1,0,1,0,0|1,0,1]=4 171 B30R2.21072902074 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C[C@@H]2CCO2)CC(=O)O 73796a2bcdc66206a3627358b38cf284 [0,1,0,1,0,0|1,0,1]=4 172 B30R2.21072902074 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)C[C@H]2CCO2)CC(=O)O b77c7390d0a2957626be217c591f4c04 [0,1,0,1,0,0|1,0,1]=4 173 B30R1.1115606619 C=C(C)CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 8d9aa7dd4f2b711c78569dbb61356b07 [0,0,0,0,0,2|2,0,0]=4 174 B30R1.1115606619 CC(=CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)C bd19183f6c8a879e0b3be909827d3585 [0,0,0,0,0,2|2,0,0]=4 175 B30R1.1115606619 CC(=O)CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O cae355ae9208119076f9e4971cadba6a [0,0,0,0,0,2|1,0,0]=3 176 B30R1.1115606619 CC(=O)NCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 53a1e1fb02fa3a8cf933b8e4e0fb40cd [0,0,0,0,0,2|1,0,0]=3 177 B30R1.1115606619 CC(=O)OCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O aa70ebc13ff840cb4092fe18861d5a7f [0,0,0,0,0,2|1,0,0]=3 178 B30R1.1115606619 CC(=O)SCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O b3bed5e06aa1ed08386173683cb2d2dd [0,0,0,0,0,2|1,0,0]=3 179 B30R1.1115606619 CC(O)CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O a75bd55d9e5425294d9a83656e1e8fd3 [0,0,0,0,0,2|1,0,1]=4 180 B30R1.1115606619 NC(=O)CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O fb590f87ffb80cba266cdcb77127c475 [0,0,0,0,0,2|1,0,0]=3 181 B30R1.1115606619 NC(=O)NCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 13bc6ac42a729912b03d1fd477942aaf [0,0,0,0,0,2|1,0,0]=3 182 B30R1.1115606619 O=C(O)/C=C/CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 50c67422c3b071efd2cb21ee606b803b [0,0,0,0,0,2|0,0,0]=2 183 B30R1.1115606619 O=C(O)C=CCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O d774d5791185cff971e8c912247b0ea2 [0,0,0,0,0,2|0,0,0]=2 184 B30R1.1115606619 O=C(O)CCCN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O 56d9e09ccff18ecc0868ec8834d76066 [0,0,0,0,0,2|0,0,0]=2 185 B30R1.1115606619 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCC=C(F)F 5ee163f10c3c2318a4a07afc2fb9b8df [0,0,0,0,0,2|2,0,0]=4 186 B30R1.1115606619 O=C(O)CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CCC[N+](=O)[O-] 63c6b6c908364bb554778853d714659a [0,0,0,0,0,2|1,0,1]=4