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bf077b8c777db67c3b1dbaabd7342595 [0,0,0,0,0,0|4,0,0]=4 12 B11R0.164 C=C(C)CCN(CC)CCOC dbc7129788b24dae4f8aff8e8738f193 [0,0,0,0,0,0|4,0,0]=4 13 B11R0.164 C=C(C)CNC(CC)CCCC 7432323f0c76181b00245ba9d7ead745 [0,0,0,0,0,0|3,0,0]=3 14 B11R0.164 C=C(C)CNC(CO)CCCC 9ea195d60b2ad5b15e4ea6015aa09222 [0,0,0,0,0,0|4,0,0]=4 15 B11R0.164 C=C(C)CN[C@@H](CO)CCCC 4813149b90fd19691b491d5ff7c57d49 [0,0,0,0,0,0|4,0,0]=4 16 B11R0.164 C=C(C)CN[C@H](CO)CCCC 7a6c8cbe2d114c080f9aa4f06750a5df [0,0,0,0,0,0|4,0,0]=4 17 B11R0.164 C=C(C)COC(CC)CCCC d9d754291b3bb36adc1c9bbbb5caede8 [0,0,0,0,0,0|3,0,0]=3 18 B11R0.164 C=C(Cl)CNC(CO)CCCC 3011b24b9512b7d38eb00e865bf2a2fc [0,0,0,0,0,0|4,0,0]=4 19 B11R0.164 C=C(Cl)CN[C@@H](CO)CCCC d893f7a2eafa318128beb52511462add [0,0,0,0,0,0|4,0,0]=4 20 B11R0.164 C=C(Cl)CN[C@H](CO)CCCC e5f185777a60d1bdbc75175f920c8796 [0,0,0,0,0,0|4,0,0]=4 21 B11R0.164 C=C(Cl)COC(CC)CCCC 7d7b1bc7dc150f053c08fed995ed68a0 [0,0,0,0,0,0|3,0,0]=3 22 B11R0.164 C=C(F)CNC(CO)CCCC afb71b2177d9a034634d8d01ad3bb48f [0,0,0,0,0,0|4,0,0]=4 23 B11R0.164 C=C(F)CN[C@@H](CO)CCCC 426f5aa6f5e621e3928b4c1c2a0cfeb8 [0,0,0,0,0,0|4,0,0]=4 24 B11R0.164 C=C(F)CN[C@H](CO)CCCC 9cb1c940935f9d38ce00a3c27f60f0da [0,0,0,0,0,0|4,0,0]=4 25 B11R0.164 C=C(I)COC(CC)CCCC 554f5d8274d672497363db7f070fe465 [0,0,0,0,0,0|3,0,0]=3 26 B11R0.164 C=CC(CCC(=O)O)NCCC d38c2c10f601664647ed98f5fe3e7ea5 [0,0,0,0,0,0|1,0,2]=3 27 B11R0.164 C=CC(CCC(=O)O)NCCF 8a33644e7dbb1e48ea0365a03d240f73 [0,0,0,0,0,0|2,0,2]=4 28 B11R0.164 C=CC(CCC(=O)O)NCCO 2297f83a8f84ed2c9bdd61911823451e [0,0,0,0,0,0|2,0,2]=4 29 B11R0.164 C=CC(CCC(=O)O)NCCS 790297a78295524bd4e68c3d1a2d641b [0,0,0,0,0,0|2,0,2]=4 30 B11R0.164 C=CC(CCC(=O)O)NCOC 407b3dcf7c40bbc1319982907c9e18ca [0,0,0,0,0,0|2,0,2]=4 31 B11R0.164 C=CC(CCC(=O)O)NCSC 30bb8f1876ebf51ac13444b67acd5b02 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.164 C=CC(CCCC)OCC(=O)N 25c15bcd631f1442a9c2fc0a873303dc [0,0,0,0,0,0|2,0,2]=4 33 B11R0.164 C=CC(CCCC)OCC(=O)O 21b499b5330ca5eea066443100897b22 [0,0,0,0,0,0|1,0,2]=3 34 B11R0.164 C=CCCN(CC)CCC(=O)N 83e7005f66c42336b77154578849c561 [0,0,0,0,0,0|2,0,2]=4 35 B11R0.164 C=C[C@H](CCC(=O)O)NCCC a2e96507267914a500f2da58d28cfea1 [0,0,0,0,0,0|1,0,2]=3 36 B11R0.164 C=C[C@H](CCC(=O)O)NCCF 017309e6a94e18594829b63280ff1c75 [0,0,0,0,0,0|2,0,2]=4 37 B11R0.164 C=C[C@H](CCC(=O)O)NCCO 67ad4643a06cf066f9f52a2197c7cb79 [0,0,0,0,0,0|2,0,2]=4 38 B11R0.164 C=C[C@H](CCC(=O)O)NCCS 1045624fe18af4ccae6322b9e0a9ca8c [0,0,0,0,0,0|2,0,2]=4 39 B11R0.164 C=C[C@H](CCC(=O)O)NCOC 7f0160c83fffaa20eb2e77fde7fb8dea [0,0,0,0,0,0|2,0,2]=4 40 B11R0.164 C=C[C@H](CCC(=O)O)NCSC bf67ed8044c9227829fbaabe714bb53d [0,0,0,0,0,0|2,0,2]=4 41 B11R0.164 CC#CCC(CC)OCC(=O)N 1d2bb1fbc6986398e3f871f429cf9e7c [0,0,0,0,0,0|2,0,2]=4 42 B11R0.164 CC#CCC(CC)OCC(=O)O cbb79e2c3479d88e4d5871b5ae5a5073 [0,0,0,0,0,0|1,0,2]=3 43 B11R0.164 CC#CCC(CO)NCC(=O)O 6bc1d734eeccbba9af3f4abb6ec911c0 [0,0,0,0,0,0|2,0,2]=4 44 B11R0.164 CCCCC(CC)CNC(=O)C 092cbec5d95206f3dd73d43c1499e0ae [0,0,0,0,0,0|2,0,0]=2 45 B11R0.164 CCCCC(CC)CNC(C)C 599a461a8a26458c78ee43883c2d5e12 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.164 CCCCC(CC)COC(C)C 2e2d2beabb2cc9841345524783494e2d [0,0,0,0,0,0|3,0,1]=4 47 B11R0.164 CCCCC(CC)NCC(=O)C 278a6255d6ad25ef9d825e434160bc89 [0,0,0,0,0,0|2,0,0]=2 48 B11R0.164 CCCCC(CC)NCC(=O)N 886fca8e4b701dacef52ac985f749d33 [0,0,0,0,0,0|2,0,0]=2 49 B11R0.164 CCCCC(CC)NCC(=O)O 0a9ba9468e01bc05f3df3c050759f056 [0,0,0,0,0,0|1,0,0]=1 50 B11R0.164 CCCCC(CC)NCC(C)C aaa408637bfdda066b792fd864c2b2ea [0,0,0,0,0,0|3,0,1]=4 51 B11R0.164 CCCCC(CC)NCC(C)O f0c7f8caf14d557d61ebbcf8e86c1dec [0,0,0,0,0,0|2,0,1]=3 52 B11R0.164 CCCCC(CC)NCC(F)F 61770ff844ccc0f24529d598266b10a7 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.164 CCCCC(CC)NC[C@@H](C)O 84cea146ae8e7cd7ce101fc7c1fe4b67 [0,0,0,0,0,0|2,0,1]=3 54 B11R0.164 CCCCC(CC)NC[C@H](C)O 36f975339a9cdcb22c3f47cb4949add0 [0,0,0,0,0,0|2,0,1]=3 55 B11R0.164 CCCCC(CC)OCC(=O)C 8f292c4a5463fb2df01179e4439b4051 [0,0,0,0,0,0|2,0,0]=2 56 B11R0.164 CCCCC(CC)OCC(=O)N de5351257d4503db8137ecc3bada6e4f [0,0,0,0,0,0|2,0,0]=2 57 B11R0.164 CCCCC(CC)OCC(=O)O 81545feb4b6c0500506b0979d2ee1ac0 [0,0,0,0,0,0|1,0,0]=1 58 B11R0.164 CCCCC(CC)OCC(=S)N 92ef46c064170bd14e73ea2a8ebc0435 [0,0,0,0,0,0|2,1,0]=3 59 B11R0.164 CCCCC(CC)OCC(C)C 822fbfe7a64d297bdb2284e0712ce94e [0,0,0,0,0,0|3,0,1]=4 60 B11R0.164 CCCCC(CC)OCC(C)F 9157c6481349feba6f756d0fcc0c07ec [0,0,0,0,0,0|3,0,1]=4 61 B11R0.164 CCCCC(CC)OCC(C)S c94949915c14712c4da78f951efc4c5b [0,0,0,0,0,0|2,1,1]=4 62 B11R0.164 CCCCC(CC)OCC(F)F f6496272585567fd5bcb9a01fe91e0c4 [0,0,0,0,0,0|3,0,1]=4 63 B11R0.164 CCCCC(CC)OCN(C)C 9f3e7d200f83438d070211628c90bb5f [0,0,0,0,0,0|4,0,0]=4 64 B11R0.164 CCCCC(CC)OCS(=O)O 7795250698c2ce03fb4e1b72bc8910de [0,0,0,0,0,0|2,0,0]=2 65 B11R0.164 CCCCC(CC)OC[C@@H](C)F 73b2e7fb4e34a7f8c21ab0d10c8c63c5 [0,0,0,0,0,0|3,0,1]=4 66 B11R0.164 CCCCC(CC)OC[C@H](C)F 02213ccf9888fd63d32bd0dc76248896 [0,0,0,0,0,0|3,0,1]=4 67 B11R0.164 CCCCC(CC)OC[N+](=O)[O-] ef1a013e65c578a4fe3ea14ee98e58e3 [0,0,0,0,0,0|2,0,1]=3 68 B11R0.164 CCCCC(CO)NCC(=O)C 0b4e7802926c365d99ede1a7159bdb18 [0,0,0,0,0,0|3,0,0]=3 69 B11R0.164 CCCCC(CO)NCC(=O)N 68151550470bbaab349e96458c4bf537 [0,0,0,0,0,0|3,0,0]=3 70 B11R0.164 CCCCC(CO)NCC(=O)O 0ac86f318b4ada3badd347348f4357d6 [0,0,0,0,0,0|2,0,0]=2 71 B11R0.164 CCCCC(CO)NCC(C)O be6866c73a72cb3e83863f3cd7d072d2 [0,0,0,0,0,0|3,0,1]=4 72 B11R0.164 CCCCC(CO)NC[C@@H](C)O 0493e4e251bfa077f137ee4dbbbf4af2 [0,0,0,0,0,0|3,0,1]=4 73 B11R0.164 CCCCC(CO)NC[C@H](C)O e04fbf6aa9c5b783b867964316613bd9 [0,0,0,0,0,0|3,0,1]=4 74 B11R0.164 CCCCC(CO)NC[N+](=O)[O-] 485cdd2f20c108b718725fbe961b55b2 [0,0,0,0,0,0|3,0,1]=4 75 B11R0.164 CCCCN(CC)C/C=C(/C)\I 742b635bdd9f2bec4076a69b51973060 [0,0,0,0,0,0|3,0,1]=4 76 B11R0.164 CCCCN(CC)C/C=C(\C)/Cl b789d6736e07a53d7c4598094e2db9c9 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.164 CCCCN(CC)CC=C(C)C c1e3626337701bdb0e3af56a86a24371 [0,0,0,0,0,0|3,0,1]=4 78 B11R0.164 CCCCN(CC)CC=C(C)Cl 61ded320209a110e1889f6e8da9e5ddd [0,0,0,0,0,0|3,0,1]=4 79 B11R0.164 CCCCN(CC)CC=C(C)I 183b0ed34f3507bd42944c090c14103c [0,0,0,0,0,0|3,0,1]=4 80 B11R0.164 CCCCN(CC)CC=C(Cl)Cl c4ec5c0be8141833f7ca5b020aec2903 [0,0,0,0,0,0|3,0,1]=4 81 B11R0.164 CCCCN(CC)CCC(=O)C 2dfe68c567e1eebe418adaef85530776 [0,0,0,0,0,0|2,0,0]=2 82 B11R0.164 CCCCN(CC)CCC(=O)N 45f2506a31ed20fe9c5a8ccab248e57b [0,0,0,0,0,0|2,0,0]=2 83 B11R0.164 CCCCN(CC)CCC(C)C af3f92a42b81b542318f31e74b277924 [0,0,0,0,0,0|3,0,1]=4 84 B11R0.164 CCCCN(CC)CCC(C)O 0e7e9b255564858b377d691767d23f3b [0,0,0,0,0,0|2,0,1]=3 85 B11R0.164 CCCCN(CC)CCN(C)C 06274d36f565d2d84209fccfb40fcef8 [0,0,0,0,0,0|4,0,0]=4 86 B11R0.164 CCCCN(CC)CCS(=O)C 2fe984270b53826a93afbc539e08f3f0 [0,0,0,0,0,0|3,0,0]=3 87 B11R0.164 CCCCN(CC)COC(=O)C b26d810744994fc841c18e7b81069def [0,0,0,0,0,0|3,0,0]=3 88 B11R0.164 CCCC[C@@H](CC)COC(C)C 07a425637be45394426c6b20c3ee116f [0,0,0,0,0,0|3,0,1]=4 89 B11R0.164 CCCC[C@@H](CO)NCC(=O)N 63a3ed2c7cdb5fddeb5e48f6b26dc13e [0,0,0,0,0,0|3,0,0]=3 90 B11R0.164 CCCC[C@@H](CO)NCC(=O)O a2799527c20df37f76895d5212d240b3 [0,0,0,0,0,0|2,0,0]=2 91 B11R0.164 CCCC[C@@H](CO)NCC(C)O 5fc1d8d84d46c4a58a0200de466deabc [0,0,0,0,0,0|3,0,1]=4 92 B11R0.164 CCCC[C@@H](CO)NC[C@@H](C)O b3c708462c56b49f23818871a20cc4a5 [0,0,0,0,0,0|3,0,1]=4 93 B11R0.164 CCCC[C@@H](CO)NC[C@H](C)O ade198b0aa5414c8469b2bea41b7bcb3 [0,0,0,0,0,0|3,0,1]=4 94 B11R0.164 CCCC[C@@H](CO)NC[N+](=O)[O-] d641b3ed7dd480fdc82071f223dd9852 [0,0,0,0,0,0|3,0,1]=4 95 B11R0.164 CCCC[C@H](CO)NCC(=O)N 0cff149f0e2067d5cfca7d0317c5a5f3 [0,0,0,0,0,0|3,0,0]=3 96 B11R0.164 CCCC[C@H](CO)NCC(=O)O 5410b6543adf46dbfb9e04d3e69919ba [0,0,0,0,0,0|2,0,0]=2 97 B11R0.164 CCCC[C@H](CO)NCC(C)O 1f9075e8bcc922f5e0845476196d4df2 [0,0,0,0,0,0|3,0,1]=4 98 B11R0.164 CCCC[C@H](CO)NC[C@@H](C)O 0198ab7e1f56f3dbe735b3133e535480 [0,0,0,0,0,0|3,0,1]=4 99 B11R0.164 CCCC[C@H](CO)NC[C@H](C)O 0bb795d8cdb316a55afedf733ae08ac4 [0,0,0,0,0,0|3,0,1]=4 100 B11R0.164 CCCC[C@H](CO)NC[N+](=O)[O-] 56284fc0eac42ce8f25faef8ac605963 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.164 CCN(CCC#N)CCC(=O)C 2300ad7de3fc5799fe137b5bfe20f27e [0,0,0,0,0,0|3,0,1]=4 102 B11R0.164 CCN(CCC#N)CCC(=O)N 84d8859e6f9afc731170877435ba4192 [0,0,0,0,0,0|3,0,1]=4 103 B11R0.164 CCN(CCC=O)CCC(=O)N f9fa730ac9b6efe86ab9edf60b32ec21 [0,0,0,0,0,0|3,0,1]=4 104 B11R0.164 CCN(CCCF)CCC(=O)N 7d50815245e96e7719cef92ed86689a1 [0,0,0,0,0,0|3,0,0]=3 105 B11R0.164 CCN(CCCO)CCC(=O)C 4039f072b600b79b0029fcbe3f6ceb98 [0,0,0,0,0,0|3,0,0]=3 106 B11R0.164 CCN(CCCO)CCC(=O)N ca2192a194a2099904b6f6091e21131a [0,0,0,0,0,0|3,0,0]=3 107 B11R0.164 CCN(CCCO)CCC(=O)O e92d34009704adbcc92b7f581b542db9 [0,0,0,0,0,0|2,0,0]=2 108 B11R0.164 CCN(CCCO)CCC(C)O 1aad9e22269d02da2458ef953eec4d4f [0,0,0,0,0,0|3,0,1]=4 109 B11R0.164 CCN(CCCO)CCS(=O)C 83f708d14f73d6b4f38bed9d8ebe81a5 [0,0,0,0,0,0|4,0,0]=4 110 B11R0.164 CCN(CCCO)COC(=O)C 8536f846fd0c3e4ecf01d87a50186ec6 [0,0,0,0,0,0|4,0,0]=4 111 B11R0.164 CCN(CCCS)CCC(=O)N c6ad916797bbc93252e6282472bffb7b [0,0,0,0,0,0|3,0,0]=3 112 B11R0.164 CCN(CCOC)CCC(=O)C 3d6a2835b854c0a91340ef08ba2bd02e [0,0,0,0,0,0|3,0,0]=3 113 B11R0.164 CCN(CCOC)CCC(=O)N d909080e09e8bf47bc9749c79f037bc4 [0,0,0,0,0,0|3,0,0]=3 114 B11R0.164 CCN(CCOC)CCC(C)O 4896c4695b16d66a9ae6a33e4a2fb83a [0,0,0,0,0,0|3,0,1]=4 115 B11R0.164 CCN(CCOC)CCS(=O)C 678fee4d66467ec05497585c5d01b8c1 [0,0,0,0,0,0|4,0,0]=4 116 B11R0.164 CCN(CCOC)COC(=O)C f1561effb326ee8a908835f37a437429 [0,0,0,0,0,0|4,0,0]=4 117 B11R0.164 CCN(CCSC)CCC(=O)N 978ba31db2358bff3ba625d41a2a8678 [0,0,0,0,0,0|3,0,0]=3 118 B11R0.164 CSCCC(CO)CNC(=O)C 355a33f8ca1f1bfc2d4eed3f9db8663a [0,0,0,0,0,0|4,0,0]=4 119 B11R0.164 CSCCC(CO)NCC(=O)N 2635ebf7212558b11e0f8e39421fec32 [0,0,0,0,0,0|4,0,0]=4 120 B11R0.164 CSCCC(CO)NCC(=O)O c23a18dffc25e03a7a3952f1b8557451 [0,0,0,0,0,0|3,0,0]=3 121 B11R0.164 CSCC[C@@H](CO)NCC(=O)N cd174b11bdabc1557d1409b629b2938d [0,0,0,0,0,0|4,0,0]=4 122 B11R0.164 CSCC[C@@H](CO)NCC(=O)O 3bf8f6a4cfdb1aeb74aa5311b47e57ae [0,0,0,0,0,0|3,0,0]=3 123 B11R0.164 CSCC[C@H](CO)NCC(=O)N f8bf4f79b837bcefeeb5160dc42cd3c1 [0,0,0,0,0,0|4,0,0]=4 124 B11R0.164 CSCC[C@H](CO)NCC(=O)O 3445659cb7a507da33c5c9191fa38d84 [0,0,0,0,0,0|3,0,0]=3 125 B11R0.164 NC(=O)CNC(CO)CCCO 79bdd1bd4b248fd7f9f0ebef59896ce4 [0,0,0,0,0,0|4,0,0]=4 126 B11R0.164 O=C(O)CNC(CO)CCCO 8a9d86e8755dc91f890f820286957315 [0,0,0,0,0,0|3,0,0]=3 127 B10R0.16 C#CC(CCCC)OCC=O c26459b3135d4ec5f0d7d4e7b45d838e [1,0,0,0,0,0|1,0,2]=4 128 B10R0.16 C#CCCN(CC)CCCC 74e58e2084fd7e15c81b736469c78de9 [1,0,0,0,0,0|2,0,1]=4 129 B10R0.16 C#CCNC(CC)CCCC d793c36640f3f7ad678b0a4e3fcd511d [1,0,0,0,0,0|2,0,1]=4 130 B10R0.16 C#CCOC(CC)CCCC eb3cc288f3f4ed242a02598597db3ae6 [1,0,0,0,0,0|2,0,1]=4 131 B10R0.16 C/C=C/CN(CC)CCCC 5f0f5e1ac4202ca2c5266238cdadac84 [1,0,0,0,0,0|2,0,1]=4 132 B10R0.16 C/C=C\CN(CC)CCCC ffd845cab9af7bf1adf41ae6c7f3511e [1,0,0,0,0,0|2,0,1]=4 133 B10R0.16 C=CC(CCCC)OCC=O caf7029bcd8ba86ba057f8c38cadac0f [1,0,0,0,0,0|1,0,2]=4 134 B10R0.16 C=CCCN(CC)CCCC 1070d48da3ae07ef6deab6eef6290f71 [1,0,0,0,0,0|2,0,0]=3 135 B10R0.16 C=CCCN(CC)CCCO 4f58c4924ae4d74f61f60a5cd1f8cdb3 [1,0,0,0,0,0|3,0,0]=4 136 B10R0.16 C=CCCN(CC)CCOC 691dda02ded86d2adcaf7dda69718ff0 [1,0,0,0,0,0|3,0,0]=4 137 B10R0.16 C=CCNC(CO)CCCC 12dc632a3c0666f5a0c5ed394af2784a [1,0,0,0,0,0|3,0,0]=4 138 B10R0.16 C=CCN[C@@H](CO)CCCC 2ae39a45098c1c53e0b3864749496d1a [1,0,0,0,0,0|3,0,0]=4 139 B10R0.16 C=CCN[C@H](CO)CCCC 3cb0e9dfb9b010f590433f273c48e52a [1,0,0,0,0,0|3,0,0]=4 140 B10R0.16 C=CCOC(CC)CCCC f166d85f48d34c630103f8055d35a701 [1,0,0,0,0,0|2,0,0]=3 141 B10R0.16 CC#CCC(CC)OCC=O adabd1a828bbbb378d1d37bfc0993aaf [1,0,0,0,0,0|1,0,2]=4 142 B10R0.16 CCCCC(CC)CNC#N ac03e181fd88234de21c03a202da3ea0 [1,0,0,0,0,0|2,0,1]=4 143 B10R0.16 CCCCC(CC)CNC=O 63f1fd025f35a258b0803ba73f3e1a72 [1,0,0,0,0,0|1,0,0]=2 144 B10R0.16 CCCCC(CC)CNCC 9b83e25af41fab978c961cf7313c68d0 [1,0,0,0,0,0|2,0,1]=4 145 B10R0.16 CCCCC(CC)CNCF 1d0773ac96601437e7ce06fa1b10e49b [1,0,0,0,0,0|2,0,1]=4 146 B10R0.16 CCCCC(CC)CNCO 2aae82c6a95e2be8588e5a4d076421f6 [1,0,0,0,0,0|1,0,1]=3 147 B10R0.16 CCCCC(CC)COCC 96439b8b6850b3b4c3007d1875ff17ae [1,0,0,0,0,0|2,0,1]=4 148 B10R0.16 CCCCC(CC)COCF a3a2e2eeebf067bdb554fce7e1ee4b54 [1,0,0,0,0,0|2,0,1]=4 149 B10R0.16 CCCCC(CC)NCC#N 4dc915282e6969b4bbfc5fe4a4d65fee [1,0,0,0,0,0|2,0,1]=4 150 B10R0.16 CCCCC(CC)NCCBr 460e0dfd2744df6410cfe268a45a9de4 [1,0,0,0,0,0|2,0,1]=4 151 B10R0.16 CCCCC(CC)NCCC 6df0184b58d8ff0cf7c23e048f6e6c5b [1,0,0,0,0,0|2,0,1]=4 152 B10R0.16 CCCCC(CC)NCCF 1400e8567e659dbb11c66c3a290b6a43 [1,0,0,0,0,0|2,0,1]=4 153 B10R0.16 CCCCC(CC)NCCI 49e28482cf022c135c6e59b1f9f9d66e [1,0,0,0,0,0|2,0,1]=4 154 B10R0.16 CCCCC(CC)NCCO 99872fcd3e2bb3321886f36cfc93acc5 [1,0,0,0,0,0|1,0,1]=3 155 B10R0.16 CCCCC(CC)NCCS 0bfcfdc74ef029cf7b8709409898a9e6 [1,0,0,0,0,0|1,1,1]=4 156 B10R0.16 CCCCC(CC)OCC#N 13ebb84e6c8b689860ee6dd386cd8508 [1,0,0,0,0,0|2,0,1]=4 157 B10R0.16 CCCCC(CC)OCC=O 38b4833ef281acf6c43e55daafea93fe [1,0,0,0,0,0|1,0,0]=2 158 B10R0.16 CCCCC(CC)OCCC b3bc95738f3642c32c67c66055eecfb0 [1,0,0,0,0,0|2,0,1]=4 159 B10R0.16 CCCCC(CC)OCCF d20511100fdf46342d0fc99a9f0b5e29 [1,0,0,0,0,0|2,0,1]=4 160 B10R0.16 CCCCC(CC)OCCS 9e5175a52c15e041db3d646905eb2614 [1,0,0,0,0,0|1,1,1]=4 161 B10R0.16 CCCCC(CC)OCOC 9d2490084f1dfe004f13f67729e00da3 [1,0,0,0,0,0|3,0,0]=4 162 B10R0.16 CCCCC(CC)OCSC 884cdb0c6e7c841e592ec031c49d486f [1,0,0,0,0,0|3,0,0]=4 163 B10R0.16 CCCCC(CO)NCC=O 3899aaed7e1518bce7c3997baa9700cf [1,0,0,0,0,0|2,0,0]=3 164 B10R0.16 CCCCC(CO)NCCO 6a1674b9e531bb0555fc6b6d40222ffd [1,0,0,0,0,0|2,0,1]=4 165 B10R0.16 CCCCN(CC)C/C=C/Cl bc18a929b26ac56fb28101faaa2cf217 [1,0,0,0,0,0|2,0,1]=4 166 B10R0.16 CCCCN(CC)C/C=C\Cl 2aa8838adb66460dfc07107d8b084e16 [1,0,0,0,0,0|2,0,1]=4 167 B10R0.16 CCCCN(CC)C/C=C\O deb91244bff7dd0b7c3b34b420a13f51 [1,0,0,0,0,0|1,0,1]=3 168 B10R0.16 CCCCN(CC)CCC#N 7b210714077ef8e63dd16d7928cd822f [1,0,0,0,0,0|2,0,1]=4 169 B10R0.16 CCCCN(CC)CCC=O e93c2e78f0bf5ff0324aed41bb837c8c [1,0,0,0,0,0|1,0,0]=2 170 B10R0.16 CCCCN(CC)CCCC a3217b82a22da247a2ef1470c6c04f0f [1,0,0,0,0,0|2,0,1]=4 171 B10R0.16 CCCCN(CC)CCCF 1e383a4ca761b2448ee4d5245ac9b9ec [1,0,0,0,0,0|2,0,1]=4 172 B10R0.16 CCCCN(CC)CCCO f7cff5e01a67be4777f4530af1c924e6 [1,0,0,0,0,0|1,0,1]=3 173 B10R0.16 CCCCN(CC)CCCS 2029bc644134b7323074445134584291 [1,0,0,0,0,0|1,1,1]=4 174 B10R0.16 CCCCN(CC)CCOC bc12079b88ef692c82e2037c1d4637eb [1,0,0,0,0,0|3,0,0]=4 175 B10R0.16 CCCCN(CC)CCSC 3a79d44601fdcab6c4f03f8f7eee64ab [1,0,0,0,0,0|3,0,0]=4 176 B10R0.16 CCCC[C@@H](CC)CNC#N 3e814e934bdb5edb939c6123aaf3e9b4 [1,0,0,0,0,0|2,0,1]=4 177 B10R0.16 CCCC[C@@H](CO)NCC=O cea4dfdef157314be4b23bd7e3ba6842 [1,0,0,0,0,0|2,0,0]=3 178 B10R0.16 CCCC[C@@H](CO)NCCO 47ae20280ba0af3fba4e5c886075e6d7 [1,0,0,0,0,0|2,0,1]=4 179 B10R0.16 CCCC[C@H](CO)NCC=O 7f1f7b9f8850b17cf0eecaa3244ec100 [1,0,0,0,0,0|2,0,0]=3 180 B10R0.16 CCCC[C@H](CO)NCCO 1417027e3c4c0ffab3b79314e5d8ff25 [1,0,0,0,0,0|2,0,1]=4 181 B10R0.16 CCCNC(CO)CCCO 13d718292e74c5372c368fed937a2193 [1,0,0,0,0,0|2,0,1]=4 182 B10R0.16 CCN(C/C=C\O)CCCO 9533d140e1f58624102f81573b0c9378 [1,0,0,0,0,0|2,0,1]=4 183 B10R0.16 CCN(C/C=C\O)CCOC 075c4497b19096fe09768e9bee52e366 [1,0,0,0,0,0|2,0,1]=4 184 B10R0.16 CCN(CCC#N)CCC=O a8baf275f11fd4c8a199fd0a7ad87f4f [1,0,0,0,0,0|2,0,1]=4 185 B10R0.16 CCN(CCC=O)CCCO d8cb35e605ed3df883eef69fefacd9a0 [1,0,0,0,0,0|2,0,0]=3 186 B10R0.16 CCN(CCC=O)CCOC 360aa918cc58360f0811435bd59fc265 [1,0,0,0,0,0|2,0,0]=3 187 B10R0.16 CCN(CCCO)CCCF 1dfe07d3fd0997d437599b0a43c3d79a [1,0,0,0,0,0|2,0,1]=4 188 B10R0.16 CCN(CCCO)CCCO aef6e9ec707ffe950168bffe560887f7 [1,0,0,0,0,0|2,0,1]=4 189 B10R0.16 CCN(CCCO)CCCS a2ed98658ff7c2f04abd3aba5ad46fa5 [1,0,0,0,0,0|2,0,1]=4 190 B10R0.16 CCN(CCCO)CCOC 352224452889a60d7ed0bf055acd7133 [1,0,0,0,0,0|2,0,1]=4 191 B10R0.16 CCN(CCCO)CCSC 69c8ec570c822e23683df29f9b2805d9 [1,0,0,0,0,0|2,0,1]=4 192 B10R0.16 CCOCN(CC)CCCO d803cefa6b9fe231cad3dc308c75c59e [1,0,0,0,0,0|2,0,1]=4 193 B10R0.16 CSCCC(CO)CNC=O 7eb38055dcd25d325b9f82d163445ea0 [1,0,0,0,0,0|3,0,0]=4 194 B10R0.16 CSCCC(CO)NCC=O 0e0110067b7d203399012612d4f0ac0f [1,0,0,0,0,0|3,0,0]=4 195 B10R0.16 CSCC[C@@H](CO)NCC=O 5d94581283a9dd4c341e2207e3bf017b [1,0,0,0,0,0|3,0,0]=4 196 B10R0.16 CSCC[C@H](CO)NCC=O f22ab49631c6dc713a42a2fa3857175d [1,0,0,0,0,0|3,0,0]=4 197 B10R0.16 O=CCNC(CO)CCCO 1b2caf8c35d929d9a477b7e68ed32252 [1,0,0,0,0,0|3,0,0]=4 198 B10R0.27 C#CC(CCC)OCC(=O)O b1d6e7a904d5b641a02ebf6f59bc728f [1,0,0,0,0,0|1,0,2]=4 199 B10R0.27 C#CCC(CC)OCC(=O)O a23a9e7beb6062453d9ac7f86108449f [1,0,0,0,0,0|1,0,2]=4 200 B10R0.27 C=C(Br)CNC(CC)CCC c44984119990627c7f91178c8fec207a [1,0,0,0,0,0|3,0,0]=4 201 B10R0.27 C=C(Br)COC(CC)CCC 0bec35b673705cf3b88f40a3269b8b20 [1,0,0,0,0,0|3,0,0]=4 202 B10R0.27 C=C(Br)CO[C@H](CC)CCC f4c700d24d5372d93cb77c0ba6d3dd88 [1,0,0,0,0,0|3,0,0]=4 203 B10R0.27 C=C(C)CCN(CC)CCC aa2f3c2e7cb079155f0cd798239374fc [1,0,0,0,0,0|3,0,0]=4 204 B10R0.27 C=C(C)CNC(CC)CCC 284d1eb21b86ab343cf4b115f14b04d9 [1,0,0,0,0,0|3,0,0]=4 205 B10R0.27 C=C(C)COC(CC)CCC 6633ca7693de0b03e7f3386d6cb5a2e7 [1,0,0,0,0,0|3,0,0]=4 206 B10R0.27 C=C(C)CO[C@H](CC)CCC ca6e9b59c6cb05f402fba6113473e71a [1,0,0,0,0,0|3,0,0]=4 207 B10R0.27 C=C(Cl)COC(CC)CCC 2816b4ce6d3c1d65717588dd6fe38e8a [1,0,0,0,0,0|3,0,0]=4 208 B10R0.27 C=C(Cl)CO[C@H](CC)CCC e8f86c5804a9180e469fc583b1fb5f8a [1,0,0,0,0,0|3,0,0]=4 209 B10R0.27 C=C(I)COC(CC)CCC 9e98d4225095308dc81f8e0e2e926625 [1,0,0,0,0,0|3,0,0]=4 210 B10R0.27 C=CC(CCC(=O)O)NCC 07ac26d4c4f3f4eb51e6650cd5bad6b1 [1,0,0,0,0,0|1,0,2]=4 211 B10R0.27 C=CC(CCC)OCC(=O)O d958253884b4fea91c83d729f2748726 [1,0,0,0,0,0|1,0,2]=4 212 B10R0.27 C=C[C@H](CCC(=O)O)NCC 8d9f01447a0f9cf8f187162314b1e082 [1,0,0,0,0,0|1,0,2]=4 213 B10R0.27 CCC(CC#N)NCC(=O)O bb9d5fc92cc778a15a7b2e5463ffcc58 [1,0,0,0,0,0|2,0,1]=4 214 B10R0.27 CCC(CC#N)OCC(=O)O 632b367d0ee94e3462294fbf552145ff [1,0,0,0,0,0|2,0,1]=4 215 B10R0.27 CCC(COC)NCC(=O)N 4db82c6c5d4455d80986d94bcccc235a [1,0,0,0,0,0|3,0,0]=4 216 B10R0.27 CCC(COC)NCC(=O)O 8ec03adb1731c3d474e02b2b5c342217 [1,0,0,0,0,0|2,0,0]=3 217 B10R0.27 CCC(COC)OCC(=O)N f38383cdd1121089c3c540530e37c67a [1,0,0,0,0,0|3,0,0]=4 218 B10R0.27 CCC(COC)OCC(=O)O 9da4a081f5012003c2a69ad5c73cd4d6 [1,0,0,0,0,0|2,0,0]=3 219 B10R0.27 CCC(CSC)OCC(=O)N 9af96bb932e3331afb91d591cf91a67e [1,0,0,0,0,0|3,0,0]=4 220 B10R0.27 CCC(CSC)OCC(=O)O deba3f7c078fcad059ddf18fb894a5be [1,0,0,0,0,0|2,0,0]=3 221 B10R0.27 CCCC(C#N)OCC(=O)O 0a0990286d232674f0e1912e1d5988e0 [1,0,0,0,0,0|2,0,1]=4 222 B10R0.27 CCCC(CC)NCC(=O)C d076b9b3007429a43e1160d0bb223438 [1,0,0,0,0,0|2,0,0]=3 223 B10R0.27 CCCC(CC)NCC(=O)N b2e6c59df88456dd0c5d1e7dd7596ee3 [1,0,0,0,0,0|2,0,0]=3 224 B10R0.27 CCCC(CC)NCC(=O)O f2a94be86d68b2dac0114689cc826fbe [1,0,0,0,0,0|1,0,0]=2 225 B10R0.27 CCCC(CC)NCC(C)O 9b53d82f1d03521def4ad1d62284bf87 [1,0,0,0,0,0|2,0,1]=4 226 B10R0.27 CCCC(CC)NC[C@@H](C)O 0f5bbc32f16168ccde116f0f50575d65 [1,0,0,0,0,0|2,0,1]=4 227 B10R0.27 CCCC(CC)NC[C@H](C)O 82f53f0bb71756df78177ae9530e3e5a [1,0,0,0,0,0|2,0,1]=4 228 B10R0.27 CCCC(CC)OCC(=O)C 724ff824e30a6acfb196eb72a1909afe [1,0,0,0,0,0|2,0,0]=3 229 B10R0.27 CCCC(CC)OCC(=O)N 3d894e4dff570713ee62439416b0faf5 [1,0,0,0,0,0|2,0,0]=3 230 B10R0.27 CCCC(CC)OCC(=O)O a45690766e22483f31590c39231d681c [1,0,0,0,0,0|1,0,0]=2 231 B10R0.27 CCCC(CC)OCC(=S)N bf6204395cbcce7c7d6c222f291ac3e4 [1,0,0,0,0,0|2,1,0]=4 232 B10R0.27 CCCC(CC)OCS(=O)O 82083e9278be11d7f71c6c2f48a257d4 [1,0,0,0,0,0|2,0,0]=3 233 B10R0.27 CCCC(CC)OC[N+](=O)[O-] 5e424e93a81d34abc9996dcd39e9105f [1,0,0,0,0,0|2,0,1]=4 234 B10R0.27 CCCC(CO)NCC(=O)N 3c9f4c4ee6507f62d4f7e5339cca46e4 [1,0,0,0,0,0|3,0,0]=4 235 B10R0.27 CCCC(CO)NCC(=O)O 7f7dffe57839a8b01a8363028083e6c6 [1,0,0,0,0,0|2,0,0]=3 236 B10R0.27 CCCN(CC)CCC(=O)C 40b6bdb225ded2b584e0182710cd28e6 [1,0,0,0,0,0|2,0,0]=3 237 B10R0.27 CCCN(CC)CCC(=O)N a947b21085d4a0c42221be9495d4ed99 [1,0,0,0,0,0|2,0,0]=3 238 B10R0.27 CCCN(CC)CCC(C)O 21f44097d68e292992ee3a7c7a5bffe4 [1,0,0,0,0,0|2,0,1]=4 239 B10R0.27 CCCN(CC)CCS(=O)C 0a5a0708c65b93c9f95f170639123f75 [1,0,0,0,0,0|3,0,0]=4 240 B10R0.27 CCCN(CC)COC(=O)C 8fd48011e09c7688b8743d137979b4c9 [1,0,0,0,0,0|3,0,0]=4 241 B10R0.27 CCC[C@@H](CC)OCC(=O)N 9fa7751dbd65ac104d24f207b2ee2b54 [1,0,0,0,0,0|2,0,0]=3 242 B10R0.27 CCC[C@@H](CC)OCC(=O)O c23d63c3e9980fe04450b31a968d3f6c [1,0,0,0,0,0|1,0,0]=2 243 B10R0.27 CCC[C@@H](CC)OC[N+](=O)[O-] 6c19ce343978f49f0052c025ad31eb20 [1,0,0,0,0,0|2,0,1]=4 244 B10R0.27 CCC[C@@H](CO)NCC(=O)N 0e9a60dd820e2eba56da8d4a3c6fcfce [1,0,0,0,0,0|3,0,0]=4 245 B10R0.27 CCC[C@@H](CO)NCC(=O)O 44c8302711eb62ecd0f057f00b2ac801 [1,0,0,0,0,0|2,0,0]=3 246 B10R0.27 CCC[C@H](CO)NCC(=O)N fe01605bd03c9015253d9bd6c1743083 [1,0,0,0,0,0|3,0,0]=4 247 B10R0.27 CCC[C@H](CO)NCC(=O)O d98ca31edcbed2cd0cf39df1f076d8f8 [1,0,0,0,0,0|2,0,0]=3 248 B10R0.27 CCN(CC#N)CCC(=O)O 22f0bea6774a92e0093b9f46d4bb0cff [1,0,0,0,0,0|2,0,1]=4 249 B10R0.27 CCN(CCC(=O)N)COC 0a21d01e1508b544dbfa165a8ffb6b57 [1,0,0,0,0,0|3,0,0]=4 250 B10R0.27 CCN(CCCl)CCC(=O)C f3414cce2fadda93c4a3a44339363688 [1,0,0,0,0,0|3,0,0]=4 251 B10R0.27 CCN(CCCl)CCC(=O)N 10eeb75f900e994e8854ac5b4309f392 [1,0,0,0,0,0|3,0,0]=4 252 B10R0.27 CCN(CCF)CCC(=O)N 0234393f4e718ac96ded0597cf274fca [1,0,0,0,0,0|3,0,0]=4 253 B10R0.27 CCN(CCO)CCC(=O)C 4cddefc68313276629b5e92008437685 [1,0,0,0,0,0|3,0,0]=4 254 B10R0.27 CCN(CCO)CCC(=O)N 38492f390cfaf806730255be778821ea [1,0,0,0,0,0|3,0,0]=4 255 B10R0.27 CCN(CCO)CCC(=O)O 784f0aefb84dd81562d15584429a45e1 [1,0,0,0,0,0|2,0,0]=3 256 B10R0.27 CCN(CCS)CCC(=O)N 26d8e498704cec2428ec27737d72ead4 [1,0,0,0,0,0|3,0,0]=4 257 B10R0.27 CC[C@@H](CC#N)NCC(=O)O cc529928a4df685b61723f15acc2244b [1,0,0,0,0,0|2,0,1]=4 258 B10R0.27 CC[C@H](CC#N)NCC(=O)O 2739d5723cbe8c1d355effcd5e308c5d [1,0,0,0,0,0|2,0,1]=4 259 B10R0.27 CC[C@H](CC#N)OCC(=O)O db736766cb3b68baf792ba6f448797b7 [1,0,0,0,0,0|2,0,1]=4 260 B10R0.27 COCC(CO)NCC(=O)O cfd5501097b1407af996058c452ec17a [1,0,0,0,0,0|3,0,0]=4 261 B10R0.27 CSCC(CO)NCC(=O)O 844b4e54721ab6f7d1a1c0492903924c [1,0,0,0,0,0|3,0,0]=4 262 B10R0.27 O=C(O)CCN(CF)CCO 1cba9bbe24fd0b6d9e0561987696cbec [1,0,0,0,0,0|3,0,0]=4 263 B10R0.27 O=C(O)CCN(CO)CCO 20c26566d347b47f80a76c5f43e3b2c8 [1,0,0,0,0,0|3,0,0]=4 264 B10R0.27 O=C(O)CNC(CO)CCO 7ff35718da3fcc4f767bb70ff04eb719 [1,0,0,0,0,0|3,0,0]=4 265 B10R0.27 O=C(O)CN[C@@H](CO)CCO 663d3d5e8068b6425a9aed71996bec5e [1,0,0,0,0,0|3,0,0]=4 266 B10R0.27 O=C(O)COC(CBr)CCBr d17cb591a5a0bc5cdb520a16ef6ed78b [1,0,0,0,0,0|3,0,0]=4 267 B10R0.27 O=C(O)COC(CCl)CCCl d69084102c4a7109565feb6a40e7221b [1,0,0,0,0,0|3,0,0]=4 268 B10R0.27 O=C(O)CO[C@@H](CO)CCO 533a9454c482dc83277ab031c1f89acc [1,0,0,0,0,0|3,0,0]=4 269 B10R0.78 C#CCCN(C)CCC(=O)O 64dee399e6ee904095254907594948d2 [1,0,0,0,0,0|1,0,2]=4 270 B10R0.78 C#CCNC(C)CCC(=O)O fe7d69cff316f9831eef85d908d61c8f [1,0,0,0,0,0|1,0,2]=4 271 B10R0.78 C#CCOC(C)CCC(=O)O 5b471e5e79ed0df3293da1514b15e491 [1,0,0,0,0,0|1,0,2]=4 272 B10R0.78 C/C=C/CN(C)CCC(=O)O d48cb237d4b6714f804abb11046cf491 [1,0,0,0,0,0|1,0,2]=4 273 B10R0.78 C/C=C\CN(C)CCC(=O)O db7fde7e853325de4cb4fe46f70dee6f [1,0,0,0,0,0|1,0,2]=4 274 B10R0.78 C=C(Br)CNC(C)CCCC 7f10c454906a4c4f8534f96fd7be39b2 [1,0,0,0,0,0|3,0,0]=4 275 B10R0.78 C=C(Br)CN[C@H](C)CCCC 713080afffd201a3d9677e8a39fad485 [1,0,0,0,0,0|3,0,0]=4 276 B10R0.78 C=C(Br)COC(C)CCCC 81811f3255ba4b136d81529ce094b973 [1,0,0,0,0,0|3,0,0]=4 277 B10R0.78 C=C(Br)CO[C@@H](C)CCCC d7fd141b7b49af0fae1f375d397083e7 [1,0,0,0,0,0|3,0,0]=4 278 B10R0.78 C=C(Br)CO[C@H](C)CCCC 4467be3057b0fc2d19c437a4552558f2 [1,0,0,0,0,0|3,0,0]=4 279 B10R0.78 C=C(C)CCN(C)CCCC da3198aa0a01bb6280636029a79c3b8e [1,0,0,0,0,0|3,0,0]=4 280 B10R0.78 C=C(C)CNC(C)CCCC 0ff01b94c78fedf0a6c5a2b7af01b351 [1,0,0,0,0,0|3,0,0]=4 281 B10R0.78 C=C(C)CN[C@H](C)CCCC 40a6d8390020d9315a81c4e2bf34109d [1,0,0,0,0,0|3,0,0]=4 282 B10R0.78 C=C(C)COC(C)CCCC 692c7a1b9bc750f50e82860bdeba4de0 [1,0,0,0,0,0|3,0,0]=4 283 B10R0.78 C=C(C)CO[C@@H](C)CCCC c5fbd67f0437c11b4f610c50ed1faf17 [1,0,0,0,0,0|3,0,0]=4 284 B10R0.78 C=C(C)CO[C@H](C)CCCC ddb31cd54f90e0a80d0801b61c2986ef [1,0,0,0,0,0|3,0,0]=4 285 B10R0.78 C=C(Cl)CNC(C)CCCC 440850f1c6a604cab01a079fa378ac70 [1,0,0,0,0,0|3,0,0]=4 286 B10R0.78 C=C(Cl)CN[C@H](C)CCCC 46df13b74077f86d7a0c20cbc1fb3351 [1,0,0,0,0,0|3,0,0]=4 287 B10R0.78 C=C(Cl)COC(C)CCCC f2d8a798ba1f562cf949fc65a13d3776 [1,0,0,0,0,0|3,0,0]=4 288 B10R0.78 C=C(Cl)CO[C@@H](C)CCCC 870cd522532a6f8a98563e02ac4eff93 [1,0,0,0,0,0|3,0,0]=4 289 B10R0.78 C=C(Cl)CO[C@H](C)CCCC 1263c0b7e8aea0ae7251b73355e297f0 [1,0,0,0,0,0|3,0,0]=4 290 B10R0.78 C=C(I)COC(C)CCCC cac87331bd48f3c30bf739058ea93ddd [1,0,0,0,0,0|3,0,0]=4 291 B10R0.78 C=CCCC(C)NCC(=O)O 5d2eb87c1e173f0f955b593541eba429 [1,0,0,0,0,0|1,0,2]=4 292 B10R0.78 C=CCCC(C)OCC(=O)O b7388377e1306c899a295165a4f296dc [1,0,0,0,0,0|1,0,2]=4 293 B10R0.78 C=CCCN(C)CCC(=O)O c88d142c0153cd074bf94e770862deee [1,0,0,0,0,0|1,0,2]=4 294 B10R0.78 C=CCC[C@@H](C)OCC(=O)O d7d1f7d6c842e2d2ca8cc4938a342291 [1,0,0,0,0,0|1,0,2]=4 295 B10R0.78 C=CCNC(C)CCC(=O)O 1c641b10659277bf870f2435fb9cc772 [1,0,0,0,0,0|1,0,2]=4 296 B10R0.78 C=CCN[C@@H](C)CCC(=O)O 41e02b8225891f68f4968faae15e221e [1,0,0,0,0,0|1,0,2]=4 297 B10R0.78 C=CCOC(C)CCC(=O)O d3bbb7bd77e045d25348a075f12af676 [1,0,0,0,0,0|1,0,2]=4 298 B10R0.78 CC(=O)CCN(C)CCCO 46e4adaf0611c78760c0cc79cb0004e0 [1,0,0,0,0,0|3,0,0]=4 299 B10R0.78 CC(=O)CNC(C)CCCO 13ca43d9cc0a795fff4e7ab9b29c0675 [1,0,0,0,0,0|3,0,0]=4 300 B10R0.78 CC(=O)NC[C@H](C)CCCO 52d3712900624e77f1483526418f6494 [1,0,0,0,0,0|3,0,0]=4 301 B10R0.78 CC(CCC#N)NCC(=O)O e16174c05a7e13cb77107c75c24440b3 [1,0,0,0,0,0|2,0,1]=4 302 B10R0.78 CC(CCC#N)OCC(=O)O 5e4c5054c4d176f5b4e12f3a6c0b1068 [1,0,0,0,0,0|2,0,1]=4 303 B10R0.78 CC(CCC(=O)O)NCC#N b7b3fd4db5b47ce25d0c7cb0114d30d7 [1,0,0,0,0,0|2,0,1]=4 304 B10R0.78 CC(CCC(=O)O)NCC=O f07da88c3240b0e8214fd1c7519e2c1c [1,0,0,0,0,0|2,0,1]=4 305 B10R0.78 CC(CCC(=O)O)NCCF 8ff81164d2113f849a4e3eaca508944e [1,0,0,0,0,0|2,0,0]=3 306 B10R0.78 CC(CCC(=O)O)NCCI b6599eb7b3f748e96cecaf7ce4a26dd8 [1,0,0,0,0,0|2,0,0]=3 307 B10R0.78 CC(CCC(=O)O)NCCO 6282011c531d423c647c14e47771978c [1,0,0,0,0,0|2,0,0]=3 308 B10R0.78 CC(CCC(=O)O)OCC#N 5d4a05055b7b92f526090a3236b74cc0 [1,0,0,0,0,0|2,0,1]=4 309 B10R0.78 CC(CCC(=O)O)OCC=O 7a9c9b3f7f3a3956a0f818bd283bd0c2 [1,0,0,0,0,0|2,0,1]=4 310 B10R0.78 CC(CCC(=O)O)OCCF 9fc3f6b2137030574e7cc92eedd91727 [1,0,0,0,0,0|2,0,0]=3 311 B10R0.78 CC(CCC(=O)O)OCCS 91d832b778795afa207fabc9780e76fa [1,0,0,0,0,0|2,0,0]=3 312 B10R0.78 CC(CCCO)NCC(=O)N e26518c92da177a5a129e6c608ab3ef2 [1,0,0,0,0,0|3,0,0]=4 313 B10R0.78 CC(CCCO)NCC(=O)O 562c0ea74055a258028dfcc28ad084dc [1,0,0,0,0,0|2,0,0]=3 314 B10R0.78 CCC#CC(C)OCC(=O)O 214fe7b116432601287a5f31da0ae033 [1,0,0,0,0,0|1,0,2]=4 315 B10R0.78 CCCCC(C)NCC(=O)C aa0d7dc1e61d96887b1e23e6e9b1d801 [1,0,0,0,0,0|2,0,0]=3 316 B10R0.78 CCCCC(C)NCC(=O)N 176470242cf4f5ef2e154a227705a141 [1,0,0,0,0,0|2,0,0]=3 317 B10R0.78 CCCCC(C)NCC(=O)O ca8ad46e018df2faa99dbf908bd443e1 [1,0,0,0,0,0|1,0,0]=2 318 B10R0.78 CCCCC(C)NCC(C)O daaef59c8c728262f7bec9551df73db8 [1,0,0,0,0,0|2,0,1]=4 319 B10R0.78 CCCCC(C)NC[C@@H](C)O 111140a3ed4b98bf2d3f006b24db5770 [1,0,0,0,0,0|2,0,1]=4 320 B10R0.78 CCCCC(C)NC[C@H](C)O 7f750cedced843726711185af6eda797 [1,0,0,0,0,0|2,0,1]=4 321 B10R0.78 CCCCC(C)NC[N+](=O)[O-] c2291c714b89930466deafca28ff8287 [1,0,0,0,0,0|2,0,1]=4 322 B10R0.78 CCCCC(C)OCC(=O)C 1853e26f374aa2da1da8ca98875b6081 [1,0,0,0,0,0|2,0,0]=3 323 B10R0.78 CCCCC(C)OCC(=O)N ffd58cfd46c48f74e3a7daf65636db71 [1,0,0,0,0,0|2,0,0]=3 324 B10R0.78 CCCCC(C)OCC(=O)O a9747b2dc6b524106d5700f387a2a510 [1,0,0,0,0,0|1,0,0]=2 325 B10R0.78 CCCCC(C)OCC(=S)N b69d4fed531a903c622a2540995f06bc [1,0,0,0,0,0|2,1,0]=4 326 B10R0.78 CCCCC(C)OCS(=O)O 93f7d7b5545c84594d88971bfad4d13f [1,0,0,0,0,0|2,0,0]=3 327 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 07d4e13153ad67b6d0353b212e3aa0f7 [1,0,0,0,0,0|2,0,1]=4 328 B10R0.78 CCCCC(O)CNC(=O)C 3f59abebe6296b965d9d52498cad501b [1,0,0,0,0,0|3,0,0]=4 329 B10R0.78 CCCCN(C)CCC(=O)C dfbf1e6a28f7cdc2c88a65422fe6adc9 [1,0,0,0,0,0|2,0,0]=3 330 B10R0.78 CCCCN(C)CCC(=O)N 7b2169d478f2bfe00d6ebf0223349053 [1,0,0,0,0,0|2,0,0]=3 331 B10R0.78 CCCCN(C)CCC(=O)O b806e1b2cd351dd886d8560ee659fbb1 [1,0,0,0,0,0|1,0,0]=2 332 B10R0.78 CCCCN(C)CCC(C)O 611b91cf07d9ccbc0710226421f547db [1,0,0,0,0,0|2,0,1]=4 333 B10R0.78 CCCCN(C)CCS(=O)C 6637de780258a2727ecda1ca4de9030a [1,0,0,0,0,0|3,0,0]=4 334 B10R0.78 CCCCN(C)COC(=O)C 1d2ebf38414d0b74d7c72413956a5ba7 [1,0,0,0,0,0|3,0,0]=4 335 B10R0.78 CCCCN(C)CSC(=O)N 4f2e1e63481909a7f5101521c2e6a6b2 [1,0,0,0,0,0|3,0,0]=4 336 B10R0.78 CCCC[C@@H](C)NCC(=O)N f3619adc95ed56f1a5e04d3cfe0a5195 [1,0,0,0,0,0|2,0,0]=3 337 B10R0.78 CCCC[C@@H](C)NCC(=O)O cdf353e5bc7239425db33062b64cab42 [1,0,0,0,0,0|1,0,0]=2 338 B10R0.78 CCCC[C@@H](C)NCC(C)O 0e82a5e6f7e7bec4164fd9bfdbd7fe3b [1,0,0,0,0,0|2,0,1]=4 339 B10R0.78 CCCC[C@@H](C)NC[C@@H](C)O 9aee46399f87e708a36b91ca94a42bbd [1,0,0,0,0,0|2,0,1]=4 340 B10R0.78 CCCC[C@@H](C)NC[C@H](C)O 3bb605939f0e3ac2f736aa125a883d54 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.78 CCCC[C@@H](C)NC[N+](=O)[O-] 733b17737411da3025268071bf7cddbe [1,0,0,0,0,0|2,0,1]=4 342 B10R0.78 CCCC[C@@H](C)OCC(=O)N 728c4bfc1859e8955976444b5005cc9f [1,0,0,0,0,0|2,0,0]=3 343 B10R0.78 CCCC[C@@H](C)OCC(=O)O fcdde6a6446f16e594fd1de5903e1b1b [1,0,0,0,0,0|1,0,0]=2 344 B10R0.78 CCCC[C@@H](C)OC[N+](=O)[O-] e1cd6a77ebadaa492706fdb7f9a7fa88 [1,0,0,0,0,0|2,0,1]=4 345 B10R0.78 CCCC[C@H](C)OCC(=O)N 00a0583900b94345286d5c7c32f13dc6 [1,0,0,0,0,0|2,0,0]=3 346 B10R0.78 CCCC[C@H](C)OCC(=O)O 7b88542caf2c6272fa28507597d32d4c [1,0,0,0,0,0|1,0,0]=2 347 B10R0.78 CCCC[C@H](C)OC[N+](=O)[O-] 4e0bb04e98a65df8065b1eda4b062b8b [1,0,0,0,0,0|2,0,1]=4 348 B10R0.78 CCCNC(C)CCC(=O)O 571f95f24765651c01fcc52fa38fd0a0 [1,0,0,0,0,0|1,0,0]=2 349 B10R0.78 CCCN[C@@H](C)CCC(=O)O 1755318cfb49486d14d8459d7a0a94b5 [1,0,0,0,0,0|1,0,0]=2 350 B10R0.78 CCCOC(C)CCC(=O)O d80031c9b64791b5bc796683ccc38ba3 [1,0,0,0,0,0|1,0,0]=2 351 B10R0.78 CCCOC(C)CNC(=O)C cd13e403e9118e1b675e0d2e8c901fe4 [1,0,0,0,0,0|3,0,0]=4 352 B10R0.78 CCCOC(C)COC(=O)C 607b1670d79801d88d687c38012c337b [1,0,0,0,0,0|3,0,0]=4 353 B10R0.78 CCNCC(=O)CCC(=O)O f79578d0503e92301f45db6fc13c3380 [1,0,0,0,0,0|2,0,1]=4 354 B10R0.78 CCOCC(C)OCC(=O)N 78753113ac128fc7758306ac0df87fdf [1,0,0,0,0,0|3,0,0]=4 355 B10R0.78 CCOCC(C)OCC(=O)O 4340885b9dc9f87664ce91ece35c53ed [1,0,0,0,0,0|2,0,0]=3 356 B10R0.78 CCOCN(C)CCC(=O)N b20097e51a55f4acdaac1c23489dc7b1 [1,0,0,0,0,0|3,0,0]=4 357 B10R0.78 CCOCN(C)CCC(=O)O 3fbadfb640e3509ff11e976df6bf596d [1,0,0,0,0,0|2,0,0]=3 358 B10R0.78 CCOC[C@@H](C)COC(=O)C 18b7cbf1bad58efd0e2ead3bc6fbee16 [1,0,0,0,0,0|3,0,0]=4 359 B10R0.78 CN(CCC#N)CCC(=O)O fdeb11b802673842c6300f548e5db838 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.78 CN(CCC=O)CCC(=O)O d2916ca83f249b531818b8a38ed1264a [1,0,0,0,0,0|2,0,1]=4 361 B10R0.78 CN(CCCF)CCC(=O)N 7a7a18b1a258cd3f5abfd729637cd573 [1,0,0,0,0,0|3,0,0]=4 362 B10R0.78 CN(CCCF)CCC(=O)O 2325ac66a10fabffa6be021e273e1c87 [1,0,0,0,0,0|2,0,0]=3 363 B10R0.78 CN(CCCO)CCC(=O)N 15d7477e3ff1b96937bcb24a564b7dca [1,0,0,0,0,0|3,0,0]=4 364 B10R0.78 CN(CCCO)CCC(=O)O d4280057abed8bcb34df33d567337a81 [1,0,0,0,0,0|2,0,0]=3 365 B10R0.78 CN(CCCS)CCC(=O)N 7492fcec25cfaaf3ce21a445a25c1b3b [1,0,0,0,0,0|3,0,0]=4 366 B10R0.78 CN(CCCS)CCC(=O)O 2f47dffa227dfa98eb1a2041ed632e45 [1,0,0,0,0,0|2,0,0]=3 367 B10R0.78 CN(CCON)CCC(=O)O 6142724cdf9f1ceff2147e9fda5200cd [1,0,0,0,0,0|3,0,0]=4 368 B10R0.78 COCCC(C)OCC(=O)N ff8eb675624df90b55370802f1930eac [1,0,0,0,0,0|3,0,0]=4 369 B10R0.78 COCCC(C)OCC(=O)O 76ca78191cee40c1b9b8fb4f37b53d72 [1,0,0,0,0,0|2,0,0]=3 370 B10R0.78 COCCN(C)CCC(=O)C 8e2af4885db50475e472358338c02c8f [1,0,0,0,0,0|3,0,0]=4 371 B10R0.78 COCCN(C)CCC(=O)N 33fc7dccd367767e811a02dc65e4ae48 [1,0,0,0,0,0|3,0,0]=4 372 B10R0.78 COCCN(C)CCC(=O)O edff487632f15a7ed07cbc94173bae56 [1,0,0,0,0,0|2,0,0]=3 373 B10R0.78 COCNC(C)CCC(=O)O cd23ab7231cf0ccd8c90f3d73d5d07db [1,0,0,0,0,0|2,0,0]=3 374 B10R0.78 COCN[C@@H](C)CCC(=O)O bdc9bb6296a1c7446cd8cab2459e70d1 [1,0,0,0,0,0|2,0,0]=3 375 B10R0.78 COCOC(C)CCC(=O)O ecc641dc89a23cf5a66427a947d5cab5 [1,0,0,0,0,0|2,0,0]=3 376 B10R0.78 CSCCC(C)OCC(=O)N 7cc5b7e9493c3c5f8c2bc7affe68a9fc [1,0,0,0,0,0|3,0,0]=4 377 B10R0.78 CSCCC(C)OCC(=O)O 7e21c7b86c9c1278fd86356500849ab4 [1,0,0,0,0,0|2,0,0]=3 378 B10R0.78 CSCCN(C)CCC(=O)C 53eff6cca6d1516e3ac355a47c4fd392 [1,0,0,0,0,0|3,0,0]=4 379 B10R0.78 CSCCN(C)CCC(=O)N 9b80ea83a7b07ba634a90569279330bd [1,0,0,0,0,0|3,0,0]=4 380 B10R0.78 CSCCN(C)CCC(=O)O 889a55ace19552a938331e6cdad3d926 [1,0,0,0,0,0|2,0,0]=3 381 B10R0.78 CSCNC(C)CCC(=O)O bafdfaa63b84df8ddac61b1460c7ec48 [1,0,0,0,0,0|2,0,0]=3 382 B10R0.78 CSCN[C@@H](C)CCC(=O)O c17c3a655fcf622becc77d31957d3e6d [1,0,0,0,0,0|2,0,0]=3 383 B10R0.78 CSCOC(C)CCC(=O)O b274ba4e4e52658c4be3d129907ff4fb [1,0,0,0,0,0|2,0,0]=3 384 B10R0.78 C[C@@H](CCC(=O)O)NCC#N 6a486d5aaee54a6e9a3240f01e8d8b8b [1,0,0,0,0,0|2,0,1]=4 385 B10R0.78 C[C@@H](CCC(=O)O)NCC=O b839759f3cf70a57c740f12ad2bedf48 [1,0,0,0,0,0|2,0,1]=4 386 B10R0.78 C[C@@H](CCC(=O)O)NCCF 5dce132d74d7543a87cde0bc3adc6057 [1,0,0,0,0,0|2,0,0]=3 387 B10R0.78 C[C@@H](CCC(=O)O)NCCO a7abf83a15744ef547c7f9ec102c6f60 [1,0,0,0,0,0|2,0,0]=3 388 B10R0.78 C[C@H](CCCO)NCC(=O)N 69eae0a63049a00f6ae3288e4cd80904 [1,0,0,0,0,0|3,0,0]=4 389 B10R0.78 C[C@H](CCCO)NCC(=O)O d581d9ae34e42ef5e62c3abf7ca11bff [1,0,0,0,0,0|2,0,0]=3 390 B12R0.12 C#CCCN(CCO)CCC(=O)O 05e7481fd41cab1c0decd0b0afe02e1b [0,1,0,0,0,0|1,0,2]=4 391 B12R0.12 C#CCN(CCOC)CCC(=O)O 959391dca6b79a7a8d742725de5db5e4 [0,1,0,0,0,0|2,0,1]=4 392 B12R0.12 C/C=C/CN(CCO)CCC(=O)O dd49b530f62fbbdb84dffaccf8f02460 [0,1,0,0,0,0|1,0,2]=4 393 B12R0.12 C/C=C\CN(CCO)CCC(=O)O 8ca3d1cf6f82cf18e81d83a9d13e0de2 [0,1,0,0,0,0|1,0,2]=4 394 B12R0.12 C=C(Br)COC(CCC)CCCC 45b65b5b2752d4b8a9b9c108388cd500 [0,1,0,0,0,0|3,0,0]=4 395 B12R0.12 C=C(C)CCN(CCC)CCCC 2ae2385fbcc7e072b0bbe483f3065f73 [0,1,0,0,0,0|3,0,0]=4 396 B12R0.12 C=C(C)CCN(CCO)CCCC b969b4c4c32a81494fa640423f0f6d9e [0,1,0,0,0,0|3,0,0]=4 397 B12R0.12 C=C(C)CCN(CCS)CCCC 33fc9885435ed39e0425a9808b0014e7 [0,1,0,0,0,0|3,0,0]=4 398 B12R0.12 C=C(C)COC(CCC)CCCC 71b9e6f68749f4156f0397bc33c3182e [0,1,0,0,0,0|3,0,0]=4 399 B12R0.12 C=C(Cl)COC(CCC)CCCC 865622fbba1f81ba9dc010a67817354c [0,1,0,0,0,0|3,0,0]=4 400 B12R0.12 C=CCC(CCCC)OCC(=O)N e4cbcf89f8619bb1579392685d8aa27b [0,1,0,0,0,0|2,0,1]=4 401 B12R0.12 C=CCC(CCCC)OCC(=O)O aecff46870983abd2da26f17d52553da [0,1,0,0,0,0|1,0,1]=3 402 B12R0.12 C=CCCN(CCO)CCC(=O)O de024884ac57d8db6ab6290655a57211 [0,1,0,0,0,0|1,0,2]=4 403 B12R0.12 C=CCNC(CCC(=O)O)CSC d4e699c075dcede148906a929a33d2d4 [0,1,0,0,0,0|1,0,2]=4 404 B12R0.12 CC(=O)CCN(CCO)CCCO 186af3bd1523a8d202f8647b34bdab37 [0,1,0,0,0,0|3,0,0]=4 405 B12R0.12 CCCCC(CCC)OCC(=O)N 6eca79eb01be4655b7474e9114ab5a94 [0,1,0,0,0,0|2,0,0]=3 406 B12R0.12 CCCCC(CCC)OCC(=O)O 4ce40cfce19d1c1d413917e9b000ca21 [0,1,0,0,0,0|1,0,0]=2 407 B12R0.12 CCCCC(CCC)OC[N+](=O)[O-] 79bb36a54afcb071f049aa2a5fb585c0 [0,1,0,0,0,0|2,0,1]=4 408 B12R0.12 CCCCN(CC#N)CCC(=O)C 64ce93f52604e66cbc5e3efefbdfd8ff [0,1,0,0,0,0|2,0,1]=4 409 B12R0.12 CCCCN(CC#N)CCC(=O)N e4c3b858d1b774d24a188f6c4fb432fa [0,1,0,0,0,0|2,0,1]=4 410 B12R0.12 CCCCN(CC#N)CCC(=O)O f77bdf52502d6f5153563a186e4baa29 [0,1,0,0,0,0|1,0,1]=3 411 B12R0.12 CCCCN(CCC)CCC(=O)C 79d8ed11972d07fcbe86add200b68ec6 [0,1,0,0,0,0|2,0,0]=3 412 B12R0.12 CCCCN(CCC)CCC(=O)N 2d941d791465c728b36d3b83f7a1d17b [0,1,0,0,0,0|2,0,0]=3 413 B12R0.12 CCCCN(CCC)CCC(=O)O 220004bd7dc542764a9934c9a3f3043f [0,1,0,0,0,0|1,0,0]=2 414 B12R0.12 CCCCN(CCC)CCC(C)O c5ee7ab3e4a0fa3170d6109649b670d4 [0,1,0,0,0,0|2,0,1]=4 415 B12R0.12 CCCCN(CCC)CCS(=O)C f5630afa6336659fb158fcf037d0227a [0,1,0,0,0,0|3,0,0]=4 416 B12R0.12 CCCCN(CCC)COC(=O)C b5e18136a2bb050d5b2aef9271155516 [0,1,0,0,0,0|3,0,0]=4 417 B12R0.12 CCCCN(CCC)CSC(=O)N 2fa0eabf450c444d607a0d64e7816f6e [0,1,0,0,0,0|3,0,0]=4 418 B12R0.12 CCCCN(CCO)CCC(=O)C a4d5390b0d195b3e443d691db545a75a [0,1,0,0,0,0|2,0,0]=3 419 B12R0.12 CCCCN(CCO)CCC(=O)N 7f10de55bf0c68a8680302b0533f5382 [0,1,0,0,0,0|2,0,0]=3 420 B12R0.12 CCCCN(CCO)CCC(=O)O e4a0a6d50097aaf339f251ff3a9f7348 [0,1,0,0,0,0|1,0,0]=2 421 B12R0.12 CCCCN(CCO)CCC(C)O 3cd4d348f5bd742b46ad88fb73883d5c [0,1,0,0,0,0|2,0,1]=4 422 B12R0.12 CCCCN(CCO)CCS(=O)C c90592440f429072470cbb2abe5bc71f [0,1,0,0,0,0|3,0,0]=4 423 B12R0.12 CCCCN(CCO)COC(=O)C 09b70008dd868918769d4f6f81e70ba8 [0,1,0,0,0,0|3,0,0]=4 424 B12R0.12 CCCCN(CCS)CCC(=O)C 339209aa7789eca4dd4e7975be360b68 [0,1,0,0,0,0|2,0,0]=3 425 B12R0.12 CCCCN(CCS)CCC(=O)N 2961c7cbd76f6deb5cc85f9a74d79058 [0,1,0,0,0,0|2,0,0]=3 426 B12R0.12 CCCCN(CCS)CCC(=O)O 055e9ae9e8ff74249e3f943856c95d3b [0,1,0,0,0,0|1,0,0]=2 427 B12R0.12 CCCCN(CCS)CCC(C)O bf11697e528d6bf0bf9f90bc1c1a5c65 [0,1,0,0,0,0|2,0,1]=4 428 B12R0.12 CCCCN(CCS)CCS(=O)C 61f2cc0ad791d93298b63594a624efa4 [0,1,0,0,0,0|3,0,0]=4 429 B12R0.12 CCCCN(CCS)COC(=O)C 4d8f30159e4c4d559289c1cb27148879 [0,1,0,0,0,0|3,0,0]=4 430 B12R0.12 CCCCN(CCS)CSC(=O)N 58fad5ad7f167b5fee83f5e56b4e1c65 [0,1,0,0,0,0|3,0,0]=4 431 B12R0.12 CCCN(CCC#N)CCC(=O)O c6b52c8466eaa1fe3b853af81fbdf689 [0,1,0,0,0,0|2,0,1]=4 432 B12R0.12 CCCN(CCCO)CCC(=O)C 21858618103c2998c9cedbd576171389 [0,1,0,0,0,0|3,0,0]=4 433 B12R0.12 CCCN(CCCO)CCC(=O)N 096fb3447fceb839e01d6d1c84578cd9 [0,1,0,0,0,0|3,0,0]=4 434 B12R0.12 CCCN(CCCO)CCC(=O)O eb94ec64c23b6ed249fadd9477663e2b [0,1,0,0,0,0|2,0,0]=3 435 B12R0.12 CCCN(CCOC)CCC(=O)C 52f092e7159799d329bfb2543d8286cb [0,1,0,0,0,0|3,0,0]=4 436 B12R0.12 CCCN(CCOC)CCC(=O)N 222a23b5a6dc471df3d56e841595dfe7 [0,1,0,0,0,0|3,0,0]=4 437 B12R0.12 CCCNC(CCC(=O)O)CSC 9395916663c78168c0128f42983e3f2a [0,1,0,0,0,0|1,0,0]=2 438 B12R0.12 COCCN(CCO)CCC(=O)O fce9b2cc46f5b20dcdc8cd9f3df24c4b [0,1,0,0,0,0|2,0,0]=3 439 B12R0.12 COCNC(CCC(=O)O)CSC 84de8ebe731ab1059d401cc5737a7d04 [0,1,0,0,0,0|2,0,0]=3 440 B12R0.12 CSCC(CCC(=O)O)NCC#N a9d469727d3d83bf33d62e8ad8eee1d7 [0,1,0,0,0,0|2,0,1]=4 441 B12R0.12 CSCC(CCC(=O)O)NCC=O 708274841dce3b94658951443ed56fb4 [0,1,0,0,0,0|2,0,1]=4 442 B12R0.12 CSCC(CCC(=O)O)NCCO 87001d20be14d6962c4f4379a5fe3cf9 [0,1,0,0,0,0|2,0,0]=3 443 B12R0.12 CSCC(CCC(=O)O)NCCS e506e6b9ad1563ca13ef030e8103e840 [0,1,0,0,0,0|2,0,0]=3 444 B12R0.12 CSCCN(CCO)CCC(=O)O 4baa22badbcec4c29c84952d8bff06d4 [0,1,0,0,0,0|2,0,0]=3 445 B12R0.12 N#CCCN(CCO)CCC(=O)O ec9664159ae67c3477aa0b0f4effb1c0 [0,1,0,0,0,0|2,0,1]=4 446 B12R0.12 NC(=O)CCN(CCO)CCCO 9de21fec75d96d8e1e2047ff09e3b519 [0,1,0,0,0,0|3,0,0]=4 447 B12R0.12 O=C(O)CCN(CCO)CCCF f3ab8fcda2463f2080c44249bfdeeb48 [0,1,0,0,0,0|2,0,0]=3 448 B12R0.12 O=C(O)CCN(CCO)CCCO 5f32480bb26203aa3718d7bc2b2004e7 [0,1,0,0,0,0|2,0,0]=3 449 B12R0.12 O=C(O)CCN(CCO)CCCS d53e4f9d3f28ef131bbb8d7727a9d64a [0,1,0,0,0,0|2,0,0]=3 450 B12R0.12 O=CCCN(CCO)CCC(=O)O 01eddfcbb5681dcd7ea5a08380b53f1e [0,1,0,0,0,0|2,0,1]=4 451 B12R0.55 C=C(C)CCN(CCCC)C(C)C 77ac5615839eb8ced61b9cc730a8e975 [0,1,0,0,0,0|3,0,0]=4 452 B12R0.55 C=CCCN(CCC(=O)O)C(C)C 42b74e0fc2d9e6dc0052abe133a06013 [0,1,0,0,0,0|1,0,2]=4 453 B12R0.55 CC(=O)CCN(CCCO)C(C)C 5f6e6f70663c99b06eef13ca43b480ad [0,1,0,0,0,0|3,0,0]=4 454 B12R0.55 CC(C)N(CCC#N)CCC(=O)O baad9414ff6fd14aa045c08aaf072ebb [0,1,0,0,0,0|2,0,1]=4 455 B12R0.55 CC(C)N(CCCF)CCC(=O)N ec3397547bf6e7cd8b9685fd34f23c32 [0,1,0,0,0,0|3,0,0]=4 456 B12R0.55 CC(C)N(CCCO)CCC(=O)N 795a30723e2237abe213851ebca0d4d4 [0,1,0,0,0,0|3,0,0]=4 457 B12R0.55 CC(C)N(CCCO)CCC(=O)O 3c667bd311570290083357769990bb08 [0,1,0,0,0,0|2,0,0]=3 458 B12R0.55 CC(C)N(CCCS)CCC(=O)N b1f04f2d402ee7a1eafba5a7805dc06a [0,1,0,0,0,0|3,0,0]=4 459 B12R0.55 CCCCC(NCC(=O)O)C(=O)N d0a425bd7fca28d46e27482be0796b2a [0,1,0,0,0,0|2,0,1]=4 460 B12R0.55 CCCCC(NCC(=O)O)C(=O)O 9d4c02b082d1093bb4cb05e928652af9 [0,1,0,0,0,0|2,0,1]=4 461 B12R0.55 CCCCC(OCC(=O)O)C(=O)O a1895769bb48737d43403222ced5b93f [0,1,0,0,0,0|2,0,1]=4 462 B12R0.55 CCCCN(CCC(=O)C)C(C)C 89d3e2eca8e8277cd1a70007971affa0 [0,1,0,0,0,0|2,0,0]=3 463 B12R0.55 CCCCN(CCC(=O)N)C(C)C 0269108f6fd87b64f686b97bf77060ef [0,1,0,0,0,0|2,0,0]=3 464 B12R0.55 CCCCN(CCC(=O)O)C(C)C 5ec8861f1fbd957cee0af349ce4712c7 [0,1,0,0,0,0|1,0,0]=2 465 B12R0.55 CCCCN(CCC(C)O)C(C)C 4002e2a30879bbefa7d05060369a3409 [0,1,0,0,0,0|2,0,1]=4 466 B12R0.55 CCCCN(CCS(=O)C)C(C)C 73f3ac0c7eeab640b0a0560c54bfbcee [0,1,0,0,0,0|3,0,0]=4 467 B12R0.55 CCCCN(COC(=O)C)C(C)C adaf6d99cd7645b1f19f08048fc08293 [0,1,0,0,0,0|3,0,0]=4 468 B12R0.55 CCCCN(CSC(=O)N)C(C)C 08289da7e70ff5412a1ad54edbae7574 [0,1,0,0,0,0|3,0,0]=4 469 B12R0.55 CCCC[C@@H](NCC(=O)O)C(=O)O c81d7aadf121ff9ae76bbeb7c2daa094 [0,1,0,0,0,0|2,0,1]=4 470 B12R0.55 CCCC[C@@H](OCC(=O)O)C(=O)O 916d393bbe9c7cb86e960c76afd1ba94 [0,1,0,0,0,0|2,0,1]=4 471 B12R0.55 CCCC[C@H](NCC(=O)O)C(=O)O d343d57bd5cc047dee968af7e57982a2 [0,1,0,0,0,0|2,0,1]=4 472 B12R0.55 CCCC[C@H](OCC(=O)O)C(=O)O 0642040577c7bca1aeb16dd451508dd4 [0,1,0,0,0,0|2,0,1]=4 473 B12R0.55 CCCNC(CCC(=O)O)C(=O)N 65d8ad85c48cc100f696b06243f6b08c [0,1,0,0,0,0|2,0,1]=4 474 B12R0.55 CCCNC(CCC(=O)O)C(=O)O e26cc2046667d0ef05396fc1018f9419 [0,1,0,0,0,0|2,0,1]=4 475 B12R0.55 CCCN[C@@H](CCC(=O)O)C(=O)N 0f6ccc4d0687ab74b24060e32c63189b [0,1,0,0,0,0|2,0,1]=4 476 B12R0.55 CCCN[C@@H](CCC(=O)O)C(=O)O c730229c22b04342283ade5ed6f66ba7 [0,1,0,0,0,0|2,0,1]=4 477 B12R0.55 CCCN[C@@H](CCC(=O)O)C(F)F 3f4ec092b56abb503b8aa2c96396bf87 [0,1,0,0,0,0|2,0,0]=3 478 B12R0.55 CCCN[C@H](CCC(=O)O)C(=O)N 7fc466141944e46ecd541ebdd00bc874 [0,1,0,0,0,0|2,0,1]=4 479 B12R0.55 CCCN[C@H](CCC(=O)O)C(=O)O 5893ffb1fb778fc7cc3e89d12a1c62b4 [0,1,0,0,0,0|2,0,1]=4 480 B12R0.55 CCCO[C@@H](CCC(=O)O)C(=O)O fe0153539c89809c1316f768696589d9 [0,1,0,0,0,0|2,0,1]=4 481 B12R0.55 CCCO[C@H](CCC(=O)O)C(=O)O 9bf5397267e7a067c6737cdb9b737543 [0,1,0,0,0,0|2,0,1]=4 482 B12R0.55 CCOCN(CCC(=O)N)C(C)C e04693cd14358873c04a87e2c1ec134d [0,1,0,0,0,0|3,0,0]=4 483 B12R0.55 COCCN(CCC(=O)C)C(C)C 046e36ba7cf36c5a91eea31a7d5575cd [0,1,0,0,0,0|3,0,0]=4 484 B12R0.55 COCCN(CCC(=O)N)C(C)C 2a0594a7ede54727935f20993571ba4a [0,1,0,0,0,0|3,0,0]=4 485 B12R0.55 COCCN(CCC(=O)O)C(C)C 49007dcfb64167c59503eb3ca1aaf74d [0,1,0,0,0,0|2,0,0]=3 486 B12R0.55 COCN[C@@H](CCC(=O)O)C(F)F 304eecc09812115b0c1af40100eb2b3c [0,1,0,0,0,0|3,0,0]=4 487 B12R0.55 CSCCN(CCC(=O)N)C(C)C f9297e675a9ae6b7f2c8fc7ac30d7bea [0,1,0,0,0,0|3,0,0]=4 488 B12R0.55 CSCN[C@@H](CCC(=O)O)C(F)F 41b922695ddfa9df9c8c3b5cc96aad80 [0,1,0,0,0,0|3,0,0]=4 489 B12R0.55 O=C(O)CC[C@H](NCCF)C(F)F 665586c535fbc7db49941fbbec2f9732 [0,1,0,0,0,0|3,0,0]=4 490 B12R0.55 O=C(O)CC[C@H](NCCO)C(F)F b235b21aaeb303a0b41226fc19ba667a [0,1,0,0,0,0|3,0,0]=4 491 B12R0.55 O=C(O)CC[C@H](NCCS)C(F)F ade7d9c599d823d976778ec1bee112fe [0,1,0,0,0,0|3,0,0]=4 492 B12R0.77 C=C(Br)COC(CC)C(C)CCC eb29c5802717e2ce6927724d915bd0d4 [0,1,0,0,0,0|3,0,0]=4 493 B12R0.77 C=C(C)COC(CC)C(C)CCC 78bf0b5f4950baafcb4dac169d868068 [0,1,0,0,0,0|3,0,0]=4 494 B12R0.77 C=C(Cl)COC(CC)C(C)CCC d1c51af68620a8b62a9db171e4d09f67 [0,1,0,0,0,0|3,0,0]=4 495 B12R0.77 CCCC(=O)C(CC)NCC(=O)C f794a7db929e65bd3c127f6a3616d4f9 [0,1,0,0,0,0|2,0,1]=4 496 B12R0.77 CCCC(=O)C(CC)NCC(=O)N 0296fdc0b632d0e934719a7a58c74738 [0,1,0,0,0,0|2,0,1]=4 497 B12R0.77 CCCC(=O)C(CC)OCS(=O)O ee640e39af0269dcc0d481345b8917c3 [0,1,0,0,0,0|2,0,1]=4 498 B12R0.77 CCCC(=O)N(CC)CCC(=O)N b09b8d4e56a2b3860b34381163b63638 [0,1,0,0,0,0|2,0,1]=4 499 B12R0.77 CCCC(C)C(CC)OCC(=O)N 9c6ab6c7b51a4dec5d606bbff52080b7 [0,1,0,0,0,0|2,0,0]=3 500 B12R0.77 CCCC(C)C(CC)OCC(=O)O 2c6fe8a75a96edb2c88bcecfbcf57229 [0,1,0,0,0,0|1,0,0]=2 501 B12R0.77 CCCC(C)C(CC)OC[N+](=O)[O-] eaa00e3399b89eaca00b074902cded31 [0,1,0,0,0,0|2,0,1]=4 502 B12R0.77 CCCC(C)N(CC)CCC(=O)N f7f510af3c245ecf49e919c8ccfd5794 [0,1,0,0,0,0|2,0,0]=3 503 B12R0.77 CCN(CCC(=O)C)C(C)CCO bc9c2da2b3dff6cea46d1e5b6842946b [0,1,0,0,0,0|3,0,0]=4 504 B12R0.77 CCN(CCC(=O)N)C(C)CCO 42e9258bbc570e85ec166b53fa997101 [0,1,0,0,0,0|3,0,0]=4 505 B12R0.77 CCN(CCC(=O)N)C(C)COC aaf16cbd38aaafa34617b56acb0ee593 [0,1,0,0,0,0|3,0,0]=4 506 B12R0.77 CCN(CCC(=O)O)C(C)CCO 46dfb681c9245265e8e41de479b2cf6c [0,1,0,0,0,0|2,0,0]=3 507 B12R0.77 CCNC(=O)C(CC)NCC(=O)O 6a1ddf0d5d9a72a129aa94984c661f2b [0,1,0,0,0,0|2,0,1]=4 508 B12R0.77 CCOC(=O)C(CC)NCC(=O)O f41b0b36d1f030006327a7ccd183e1b7 [0,1,0,0,0,0|2,0,1]=4 509 B12R0.77 CCOC(=O)C(CC)OCC(=O)O 27cffd304b312681c10dac60c1c4196a [0,1,0,0,0,0|2,0,1]=4 510 B12R0.77 CCOC(=O)[C@@H](CC)NCC(=O)O 8b93a7d26b4da71fd70d17ceef9d350b [0,1,0,0,0,0|2,0,1]=4 511 B12R0.77 CCOC(=O)[C@@H](CC)OCC(=O)O 5781c992292097ced6332ea8aa99fe92 [0,1,0,0,0,0|2,0,1]=4 512 B12R0.77 CCOC(=O)[C@H](CC)NCC(=O)O f1dcdc1c9679396d6ff7c4af85f1522e [0,1,0,0,0,0|2,0,1]=4 513 B12R0.77 CCOC(=O)[C@H](CC)OCC(=O)O e37e0dcde919644ed733389d53cffe9a [0,1,0,0,0,0|2,0,1]=4 514 B12R0.124 C#CC(CCCCC)OCC(=O)O 4c0cfe1abb17787ef3452eaad32a7b9f [0,1,0,0,0,0|1,0,2]=4 515 B12R0.124 C#CCCCN(CC)CCC(=O)N a99131a400b4e6a6e3ea21c41350cd3a [0,1,0,0,0,0|2,0,1]=4 516 B12R0.124 C#C[C@H](CCCCC)OCC(=O)O a8f47bbb16d65e7c6761e0a1ee013cec [0,1,0,0,0,0|1,0,2]=4 517 B12R0.124 C=C(Br)COC(CC)CCCCC 10ac53e38cffbf88060b1e9577d287c8 [0,1,0,0,0,0|3,0,0]=4 518 B12R0.124 C=C(Br)CO[C@@H](CC)CCCCC 13cf1037cd42c0c9dd0abea2fc3294b9 [0,1,0,0,0,0|3,0,0]=4 519 B12R0.124 C=C(C)CCN(CC)CCCCO 520ba1de19944903276457189ce5c08d [0,1,0,0,0,0|3,0,0]=4 520 B12R0.124 C=C(C)CCN(CC)CCCOC 34089c4b3a949e5b88a992d0e0db603c [0,1,0,0,0,0|3,0,0]=4 521 B12R0.124 C=C(C)CCN(CC)CCOCC 84d547d4e56bea40924a061ef6e7eb94 [0,1,0,0,0,0|3,0,0]=4 522 B12R0.124 C=C(C)COC(CC)CCCCC 528592883d95b38317aedf3e0ec5a49e [0,1,0,0,0,0|3,0,0]=4 523 B12R0.124 C=C(C)CO[C@@H](CC)CCCCC c3f8541066efd7aea799928853b51d3c [0,1,0,0,0,0|3,0,0]=4 524 B12R0.124 C=C(Cl)COC(CC)CCCCC 3dad5d968db0ef192af3414862bc0dcc [0,1,0,0,0,0|3,0,0]=4 525 B12R0.124 C=C(Cl)CO[C@@H](CC)CCCCC 9fb9fcb32d7b841c90cfb45dd2da7d71 [0,1,0,0,0,0|3,0,0]=4 526 B12R0.124 C=CC(CCC(=O)O)NCCCC 879f161fc5a909328c8bbc237537ab3f [0,1,0,0,0,0|0,0,2]=3 527 B12R0.124 C=CC(CCC(=O)O)NCCCF e0293f110f8c07d34f9990b67c08921b [0,1,0,0,0,0|1,0,2]=4 528 B12R0.124 C=CC(CCC(=O)O)NCCCO ad47a6df3be6d143c0c7887600d5b7e7 [0,1,0,0,0,0|1,0,2]=4 529 B12R0.124 C=CC(CCC(=O)O)NCCCS fbfaa8aaccf405248baa8e70c589066a [0,1,0,0,0,0|1,0,2]=4 530 B12R0.124 C=CC(CCC(=O)O)NCCOC 9eb3869c8c4bda987c31d3852ffdb8bb [0,1,0,0,0,0|1,0,2]=4 531 B12R0.124 C=CC(CCC(=O)O)NCCSC 515aaf2e51d22005d222fd232b35461e [0,1,0,0,0,0|1,0,2]=4 532 B12R0.124 C=CC(CCC(=O)O)NCOCC 6f153c410f2e3f0674a57a3f20bc13d3 [0,1,0,0,0,0|1,0,2]=4 533 B12R0.124 C=CC(CCCCC)OCC(=O)O 4117b7e22624dfa40d794c104c6b79a1 [0,1,0,0,0,0|1,0,2]=4 534 B12R0.124 C=CCCCN(CC)CCC(=O)N f02ed309b992579d8cccd433c0ae8673 [0,1,0,0,0,0|2,0,1]=4 535 B12R0.124 C=C[C@H](CCC(=O)O)NCCCC 88ecb702adfcb66a20570233a3ae61ed [0,1,0,0,0,0|0,0,2]=3 536 B12R0.124 C=C[C@H](CCC(=O)O)NCCCF 1df3e241ae5a32963ae5e4d572c73d24 [0,1,0,0,0,0|1,0,2]=4 537 B12R0.124 C=C[C@H](CCC(=O)O)NCCCO f2c6345b0baa31d74f399d08de080e99 [0,1,0,0,0,0|1,0,2]=4 538 B12R0.124 C=C[C@H](CCC(=O)O)NCCCS 42f5eb4cbfb8b21505edf0dfdeb122ae [0,1,0,0,0,0|1,0,2]=4 539 B12R0.124 C=C[C@H](CCC(=O)O)NCCOC 44c7f83c75387e38dd276d5e27444ee1 [0,1,0,0,0,0|1,0,2]=4 540 B12R0.124 C=C[C@H](CCC(=O)O)NCCSC 09b8e003b1e9a4fb5ed5f2f929773234 [0,1,0,0,0,0|1,0,2]=4 541 B12R0.124 C=C[C@H](CCC(=O)O)NCOCC fea82a9b618901e2287df6f6f53ca769 [0,1,0,0,0,0|1,0,2]=4 542 B12R0.124 C=C[C@H](CCCCC)OCC(=O)O b6e0d14a526cff21c8718e2b268e487c [0,1,0,0,0,0|1,0,2]=4 543 B12R0.124 CC/C=C/CN(CC)CCC(=O)N 6ec59296d1dc952dfc2db7c2f5f88842 [0,1,0,0,0,0|2,0,1]=4 544 B12R0.124 CCCCCC(CC)OCC(=O)N da02338f10ada0946d6bded919aa32a3 [0,1,0,0,0,0|2,0,0]=3 545 B12R0.124 CCCCCC(CC)OCC(=O)O 45690892f9e75f113fa6661cafdb815c [0,1,0,0,0,0|1,0,0]=2 546 B12R0.124 CCCCCC(CC)OC[N+](=O)[O-] 32722dd92d42d6391c27c20ad91e8886 [0,1,0,0,0,0|2,0,1]=4 547 B12R0.124 CCCCCN(CC)CCC(=O)N fdbf7179316b697fbac7465c41808362 [0,1,0,0,0,0|2,0,0]=3 548 B12R0.124 CCCCC[C@H](CC)OCC(=O)N 8718ea932c9b832c9667889634e159e4 [0,1,0,0,0,0|2,0,0]=3 549 B12R0.124 CCCCC[C@H](CC)OCC(=O)O 09970a9013bdc3227bdbc47490c2d06e [0,1,0,0,0,0|1,0,0]=2 550 B12R0.124 CCCCC[C@H](CC)OC[N+](=O)[O-] 64c883359510a3a7bf3dd5574ba783d9 [0,1,0,0,0,0|2,0,1]=4 551 B12R0.124 CCN(CCCC#N)CCC(=O)N ff9ffab24f7cebde4dc92a7b9b2d2422 [0,1,0,0,0,0|2,0,1]=4 552 B12R0.124 CCN(CCCC=O)CCC(=O)N 791b6ab42757573b3aed5815bde8bc4d [0,1,0,0,0,0|2,0,1]=4 553 B12R0.124 CCN(CCCCF)CCC(=O)N ee94b78a0450a8731df33bb3ada32463 [0,1,0,0,0,0|2,0,0]=3 554 B12R0.124 CCN(CCCCO)CCC(=O)C fdc36af425928fe770f4eccb819de80f [0,1,0,0,0,0|2,0,0]=3 555 B12R0.124 CCN(CCCCO)CCC(=O)N 893662acc3fa2a590c9ef32ef35641bb [0,1,0,0,0,0|2,0,0]=3 556 B12R0.124 CCN(CCCCO)CCC(C)O 4a4316f0f22bb5973e43263308ea0b27 [0,1,0,0,0,0|2,0,1]=4 557 B12R0.124 CCN(CCCCO)CCS(=O)C 802015dd71d156e1072fcc19a2a18080 [0,1,0,0,0,0|3,0,0]=4 558 B12R0.124 CCN(CCCCO)COC(=O)C 4b1345fc8b8119a2eab6ccd86c6b10eb [0,1,0,0,0,0|3,0,0]=4 559 B12R0.124 CCN(CCCOC)CCC(=O)C b1baab43c27bb2ea1a02ff6eb46ecb96 [0,1,0,0,0,0|2,0,0]=3 560 B12R0.124 CCN(CCCOC)CCC(=O)N 67f510c25ee75ab33506e18f1b86ab9e [0,1,0,0,0,0|2,0,0]=3 561 B12R0.124 CCN(CCCOC)CCC(=O)O 58fb1e6dc1eec783048fb4ecc79c4969 [0,1,0,0,0,0|1,0,0]=2 562 B12R0.124 CCN(CCCOC)CCC(C)O e660845a680a40c8ce421030de2dc7e2 [0,1,0,0,0,0|2,0,1]=4 563 B12R0.124 CCN(CCCOC)CCS(=O)C b79e5291ebbb20e532a01e80e37afe3b [0,1,0,0,0,0|3,0,0]=4 564 B12R0.124 CCN(CCCOC)COC(=O)C 27cad95225f9e56373c852a5551f3d2f [0,1,0,0,0,0|3,0,0]=4 565 B12R0.124 CCN(CCCOC)CSC(=O)N f533c4ef962daed47d67de518deba532 [0,1,0,0,0,0|3,0,0]=4 566 B12R0.124 CCN(CCCSC)CCC(=O)N adfa554e98b08bfe9089bc9c02323edb [0,1,0,0,0,0|2,0,0]=3 567 B12R0.124 CCOCCN(CC)CCC(=O)C 71759815c6843616e628befc161635c1 [0,1,0,0,0,0|2,0,0]=3 568 B12R0.124 CCOCCN(CC)CCC(=O)N 9aa17a61d678db442502f8dcdeeef362 [0,1,0,0,0,0|2,0,0]=3 569 B12R0.124 CCOCCN(CC)CCC(C)O 821bd547dca62400be50c572902fcb0f [0,1,0,0,0,0|2,0,1]=4 570 B12R0.124 CCOCCN(CC)CCS(=O)C c7375f2c9d12f3dd07a912025f420379 [0,1,0,0,0,0|3,0,0]=4 571 B12R0.124 CCOCCN(CC)COC(=O)C 6ef920a3edc0eb784722980c0e5bc64d [0,1,0,0,0,0|3,0,0]=4 572 B12R0.154 C=C(Br)COC(CC)CC(C)CC 972c26a2797e522033120f5ad6a6792e [0,1,0,0,0,0|3,0,0]=4 573 B12R0.154 C=C(C)CCN(CC)CC(O)CC a17c3bdbe565b56827defeadd7fcfdd0 [0,1,0,0,0,0|3,0,0]=4 574 B12R0.154 C=C(C)COC(CC)CC(C)CC 07a4ea9c5287a13a248230c42c60243d [0,1,0,0,0,0|3,0,0]=4 575 B12R0.154 C=C(Cl)COC(CC)CC(C)CC 67fc28a3be85fe19ea93b32617d93759 [0,1,0,0,0,0|3,0,0]=4 576 B12R0.154 C=CC(CCC(=O)O)NC(C)CC c95ed5b2faf2c5e805e21c9d61ddf37c [0,1,0,0,0,0|1,0,2]=4 577 B12R0.154 C=C[C@H](CCC(=O)O)NC(C)CC be1a0dd95cc9788b811feb7efc03447b [0,1,0,0,0,0|1,0,2]=4 578 B12R0.154 CCC(=O)CN(CC)CCC(=O)N 9cef052c2fb6d5927f60820ecef04eb6 [0,1,0,0,0,0|2,0,1]=4 579 B12R0.154 CCC(C)CC(CC)OCC(=O)N 222ed4008d7002e327568728cabbc91b [0,1,0,0,0,0|2,0,0]=3 580 B12R0.154 CCC(C)CC(CC)OCC(=O)O 21f63d70c79b4d685352a8755ee1cc31 [0,1,0,0,0,0|1,0,0]=2 581 B12R0.154 CCC(C)CC(CC)OC[N+](=O)[O-] 9e9964ca231ffa0fa4368b78ca8dd1ee [0,1,0,0,0,0|2,0,1]=4 582 B12R0.154 CCC(C)CN(CC)CCC(=O)N edeee57078014e9a4d1e660d3b5c1117 [0,1,0,0,0,0|2,0,0]=3 583 B12R0.154 CCC(CC(=O)OC)OCC(=O)O 52fbeffcf523cec2b3ee11c6dbfa6507 [0,1,0,0,0,0|2,0,1]=4 584 B12R0.154 CCC(O)CN(CC)CCC(=O)C 5affb592fe90436f2e7367c4e67c144b [0,1,0,0,0,0|2,0,0]=3 585 B12R0.154 CCC(O)CN(CC)CCC(=O)N 028321e764913a91a2b5b181f463931f [0,1,0,0,0,0|2,0,0]=3 586 B12R0.154 CCC(O)CN(CC)CCC(=O)O 85e56ed5d9970a175a87e2231ac9bfd1 [0,1,0,0,0,0|1,0,0]=2 587 B12R0.154 CCC(O)CN(CC)CCC(C)O 9e474675fdd0ed9a80a8905c89a4eae6 [0,1,0,0,0,0|2,0,1]=4 588 B12R0.154 CCC(O)CN(CC)CCS(=O)C 8d43e72f60f781cf689e3ef7c925eb01 [0,1,0,0,0,0|3,0,0]=4 589 B12R0.154 CCC(O)CN(CC)COC(=O)C 1d2d18ce87c3a136889289f0f6fa783f [0,1,0,0,0,0|3,0,0]=4 590 B12R0.154 CCC(O)CN(CC)CSC(=O)N 818edeb9f50e6684dfc60f82668b0186 [0,1,0,0,0,0|3,0,0]=4 591 B12R0.154 CCN(CCC(=O)N)CC(C)CO 543aa1e06b99ca7f58be9e554ee9be0b [0,1,0,0,0,0|3,0,0]=4 592 B12R0.154 CCN(CCC(=O)N)CC(C)OC 9c5c978c58db821ad1d36882a94b4a30 [0,1,0,0,0,0|3,0,0]=4 593 B12R0.154 CCN(CCC(=O)N)CC(O)CF 6d0702aa432fc333dcb5552d662fdd9e [0,1,0,0,0,0|3,0,0]=4 594 B12R0.154 CCN(CCC(=O)N)C[C@@H](C)CO e8bc2c293ae3386587952411d9350904 [0,1,0,0,0,0|3,0,0]=4 595 B12R0.154 CCN(CCC(=O)N)C[C@@H](C)OC a183cf247729b0ddcd6f7f8e951014c4 [0,1,0,0,0,0|3,0,0]=4 596 B12R0.154 CCN(CCC(=O)N)C[C@H](C)CO b0224988f26c5c367c6acfda29992e16 [0,1,0,0,0,0|3,0,0]=4 597 B12R0.154 CCN(CCC(=O)N)C[C@H](C)OC 54d064b5708c72640ff7f56f1294d9c1 [0,1,0,0,0,0|3,0,0]=4 598 B12R0.154 CC[C@@H](C)CN(CC)CCC(=O)N 5ec17d2259522324070d51c1fbaa7545 [0,1,0,0,0,0|2,0,0]=3 599 B12R0.154 CC[C@@H](CC(=O)OC)OCC(=O)O e2c6a94af8b217ac4e0d79ad54f5c75e [0,1,0,0,0,0|2,0,1]=4 600 B12R0.154 CC[C@H](C)CN(CC)CCC(=O)N 6e79ae2a94ec0fd9e0760c094addb952 [0,1,0,0,0,0|2,0,0]=3 601 B12R0.154 CC[C@H](CC(=O)OC)OCC(=O)O 418f292ac0a83a6c635cf58eac06d990 [0,1,0,0,0,0|2,0,1]=4 602 B12R0.215 CCCCC(CC)N(C)CC(=O)N 5e0ae098859eb84b8e62ceb852496966 [0,1,0,0,0,0|2,0,0]=3 603 B12R0.215 CCCCC(CC)N(C)CC(=O)O 66bf77a1055ef6a68eb3b25827d7f273 [0,1,0,0,0,0|1,0,0]=2 604 B12R0.215 CCCCC(CC)N(C)CC(C)O 861ba0bcb13fd5246b1700f84dece676 [0,1,0,0,0,0|2,0,1]=4 605 B12R0.215 CCCCC(CC)N(C)C[C@H](C)O 22d5962643a237299a98f96b6d80ae5e [0,1,0,0,0,0|2,0,1]=4 606 B12R0.215 CCCCC(CO)N(C)CC(=O)N a4b8b5fd543cdf4cb61023b0a69ec837 [0,1,0,0,0,0|3,0,0]=4 607 B12R0.215 CCCCC(CO)N(C)CC(=O)O e637cbd84b0706d51844e1f6ac6fe64d [0,1,0,0,0,0|2,0,0]=3 608 B12R0.215 CCCCN(CC)C(=O)CC(=O)C 0e43c24fd97ee255a8a8f362fb8fa8cd [0,1,0,0,0,0|2,0,1]=4 609 B12R0.215 CCCCN(CC)C(=O)CC(=O)N 5a7c7d16fcc2eecae9a337e7bd0a5cbf [0,1,0,0,0,0|2,0,1]=4 610 B12R0.215 CCCCN(CC)C(C)CC(=O)O da6678aaeab0b345fd764cc2d20cdb93 [0,1,0,0,0,0|1,0,0]=2 611 B12R0.215 CCCCN(CC)C(C)OC(=O)C 17a1bcd9fa7612b585818c844ffb8e46 [0,1,0,0,0,0|3,0,0]=4 612 B12R0.215 CCCCN(CF)C(C)CC(=O)O 27273da2ee77d3da35de6dd9719a1cfd [0,1,0,0,0,0|2,0,0]=3 613 B12R0.215 CCCCN(CO)C(C)CC(=O)O 728937a2121850daf036e97d2b248f98 [0,1,0,0,0,0|2,0,0]=3 614 B12R0.215 CCN(CCC#N)C(C)CC(=O)O 5444312cc42b28cbe44bbd4a4871d690 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.215 CCN(CCCO)C(C)CC(=O)O d506624457b3caa69adcb337c2a6b740 [0,1,0,0,0,0|2,0,0]=3 616 B12R0.216 C#CC(=O)NCC(CC)CCCC 0cf544d06ce44241a5610e703c8f3408 [0,1,0,0,0,0|2,0,0]=3 617 B12R0.216 C#CC(CCCC)OCC(=O)OC fe8063790b10216013511ddd87f58419 [0,1,0,0,0,0|1,0,2]=4 618 B12R0.216 C#CCCN(CC)CCC(=O)OC dc5f94ecc2a9c24fedf4015076fb3f42 [0,1,0,0,0,0|1,0,2]=4 619 B12R0.216 C/C=C/CN(CC)CCC(=O)OC 94a252f64259560ce4a548a7114bbe98 [0,1,0,0,0,0|1,0,2]=4 620 B12R0.216 C/C=C\CN(CC)CCC(=O)OC 4ee86c213d9f0558b2a43b33719436b8 [0,1,0,0,0,0|1,0,2]=4 621 B12R0.216 C=C(C#N)COC(CC)CCCC 5e3ebbb7541d10b731311f001ae723f7 [0,1,0,0,0,0|3,0,0]=4 622 B12R0.216 C=C(C=O)OCC(CC)CCCC 74fc659f89312022d2f1d76bd306d70e [0,1,0,0,0,0|2,0,0]=3 623 B12R0.216 C=C(C=O)OC[C@H](CC)CCCC f094910db0d742232bcc26bb0f634cc1 [0,1,0,0,0,0|2,0,0]=3 624 B12R0.216 C=C(CC)COC(CC)CCCC 085923e1b9d38246f6319b6a8e68b873 [0,1,0,0,0,0|3,0,0]=4 625 B12R0.216 C=C(CNC(CO)CCCC)OC 5bb683e50a47439445af575d22657fe5 [0,1,0,0,0,0|3,0,0]=4 626 B12R0.216 C=C(CN[C@@H](CO)CCCC)OC b66c81191f3772ec37234ce02663f691 [0,1,0,0,0,0|3,0,0]=4 627 B12R0.216 C=C(CN[C@H](CO)CCCC)OC cba24cd5665711d45cc7ce766c189bc2 [0,1,0,0,0,0|3,0,0]=4 628 B12R0.216 C=C(CO)CNC(CO)CCCC 487deb762a6fd6bc92ab3dcf021e7136 [0,1,0,0,0,0|3,0,0]=4 629 B12R0.216 C=C(CO)CN[C@@H](CO)CCCC 2c13fe628b12d7c36cad20eabeda0858 [0,1,0,0,0,0|3,0,0]=4 630 B12R0.216 C=C(CO)CN[C@H](CO)CCCC 5c3a9cabe386e2e319e4491565c041b7 [0,1,0,0,0,0|3,0,0]=4 631 B12R0.216 C=C(COC(CC)CCCC)OC 8bd6e66449d50168d19b90f00c17b269 [0,1,0,0,0,0|2,0,0]=3 632 B12R0.216 C=CC(=O)NCC(CC)CCCC 5fe9117865392ca74cfa07cbad46639b [0,1,0,0,0,0|2,0,0]=3 633 B12R0.216 C=CC(CCCC)OCC(=O)OC b32ef1f5a6414c645b0e65e117dec434 [0,1,0,0,0,0|1,0,2]=4 634 B12R0.216 C=CC(O)CNC(CC)CCCC 725fe25ebe172ff472a9965619b8c2af [0,1,0,0,0,0|2,0,1]=4 635 B12R0.216 C=CCCN(CC)CCC(=O)OC 93d2f6c60ad809391d2fd9fd25aae995 [0,1,0,0,0,0|1,0,2]=4 636 B12R0.216 CC#CCC(CC)OCC(=O)OC 5af1b8a86001d40d278fefe390fc424f [0,1,0,0,0,0|1,0,2]=4 637 B12R0.216 CCCCC(CC)CNC(=O)C=O b57286da01b9010239a0140d5f0544f8 [0,1,0,0,0,0|1,0,1]=3 638 B12R0.216 CCCCC(CC)CNC(=O)CC 566421ea901f70ef7d8854ca389cdb45 [0,1,0,0,0,0|2,0,0]=3 639 B12R0.216 CCCCC(CC)CNC(=O)CF 921f6d71f74e50d5711182c5d98a1b4f [0,1,0,0,0,0|2,0,0]=3 640 B12R0.216 CCCCC(CC)CNC(=O)CO e9aab598e1f25a859d3611d8cb15af71 [0,1,0,0,0,0|1,0,0]=2 641 B12R0.216 CCCCC(CC)CNC(=O)CS ae21dd8faf31fb9e5c7df19aabc9ddeb [0,1,0,0,0,0|1,1,0]=3 642 B12R0.216 CCCCC(CC)CNC(C)C=O 53da63b3d03ddadf4dc7f8e651360daa [0,1,0,0,0,0|2,0,1]=4 643 B12R0.216 CCCCC(CC)CNC(C)CO f266e5d3de7e7d0ae0ef6dfbf14984ee [0,1,0,0,0,0|2,0,1]=4 644 B12R0.216 CCCCC(CC)CN[C@@H](C)CO 075128c482c3c60481b756c88ac8107c [0,1,0,0,0,0|2,0,1]=4 645 B12R0.216 CCCCC(CC)CN[C@H](C)C=O 13f699ae5f3998c39d27e9711ecc03ed [0,1,0,0,0,0|2,0,1]=4 646 B12R0.216 CCCCC(CC)CN[C@H](C)CO 4766f7ef925ab7559ccd9eec9b2a9f6a [0,1,0,0,0,0|2,0,1]=4 647 B12R0.216 CCCCC(CC)COC(C)C=O bb30e2a6b0c07c8cc22d09d58c0e3d7f [0,1,0,0,0,0|2,0,1]=4 648 B12R0.216 CCCCC(CC)CO[C@H](C)C=O f8e533b057228263b174f31eca5c3ba0 [0,1,0,0,0,0|2,0,1]=4 649 B12R0.216 CCCCC(CC)NCC(=O)NC a8a87dc9235a090f2450a069285f5f95 [0,1,0,0,0,0|2,0,0]=3 650 B12R0.216 CCCCC(CC)NCC(=O)NO e3102babb0c78f7e8ba7c6e77f4d7e27 [0,1,0,0,0,0|1,0,0]=2 651 B12R0.216 CCCCC(CC)NCC(C)CO c637ab55ba46178aff06d540e1b26dc7 [0,1,0,0,0,0|2,0,1]=4 652 B12R0.216 CCCCC(CC)NCC(F)CO 8d6bfdd6551ac51611ce7e762e6a3a97 [0,1,0,0,0,0|2,0,1]=4 653 B12R0.216 CCCCC(CC)NCC(O)CC 7d23f77b4500aafaa5b12fb2d921094d [0,1,0,0,0,0|2,0,1]=4 654 B12R0.216 CCCCC(CC)NCC(O)CO 72d4c583c0340d6b22962ab256abdfc0 [0,1,0,0,0,0|1,0,2]=4 655 B12R0.216 CCCCC(CC)NC[C@@H](C)OC 15ce3a15d329409b90d118d10cbbcc66 [0,1,0,0,0,0|2,0,1]=4 656 B12R0.216 CCCCC(CC)NC[C@@H](F)CO f709d3bcd2a73f8f1751eb2ce1413ac9 [0,1,0,0,0,0|2,0,1]=4 657 B12R0.216 CCCCC(CC)NC[C@@H](O)CO c7ae6fff5c8759d99d67cbb35137a806 [0,1,0,0,0,0|1,0,2]=4 658 B12R0.216 CCCCC(CC)NC[C@H](C)CO 91228033e751337b1375b68a35f2fef1 [0,1,0,0,0,0|2,0,1]=4 659 B12R0.216 CCCCC(CC)NC[C@H](C)OC 3f049ae0f4b2ff4d806bdce4bd36c2c3 [0,1,0,0,0,0|2,0,1]=4 660 B12R0.216 CCCCC(CC)NC[C@H](F)CO c4273209fe128085bc19189ad14280ba [0,1,0,0,0,0|2,0,1]=4 661 B12R0.216 CCCCC(CC)NC[C@H](O)CC 8f96ec24df87f44177f16e769ff58b20 [0,1,0,0,0,0|2,0,1]=4 662 B12R0.216 CCCCC(CC)NC[C@H](O)CO db68c29be202e22804345992514208bd [0,1,0,0,0,0|1,0,2]=4 663 B12R0.216 CCCCC(CC)OC/C(=C/Cl)/Cl a91bd0d139c9b4de8b021c5374d18b0c [0,1,0,0,0,0|3,0,0]=4 664 B12R0.216 CCCCC(CC)OC/C(=C/I)/C 221cf33d217ef929e693dc16625cd4f3 [0,1,0,0,0,0|3,0,0]=4 665 B12R0.216 CCCCC(CC)OCC(=CI)C d47d5a65ee9f547b023758a8190bff3a [0,1,0,0,0,0|3,0,0]=4 666 B12R0.216 CCCCC(CC)OCC(=O)CC 8b886c7e8d24615d417f9db6f23dd0a3 [0,1,0,0,0,0|2,0,0]=3 667 B12R0.216 CCCCC(CC)OCC(=O)NC cffdc5fd73f1281737aa33c681b05f97 [0,1,0,0,0,0|2,0,0]=3 668 B12R0.216 CCCCC(CC)OCC(=O)OC 3bc2b20964ee819444fac34002594eeb [0,1,0,0,0,0|1,0,0]=2 669 B12R0.216 CCCCC(CC)OCC(C)OC d33d282debd7a90425231e4d468fa735 [0,1,0,0,0,0|2,0,1]=4 670 B12R0.216 CCCCC(CC)OCC(O)CO a51b5b9216f71ffcbadf47c0c3daf820 [0,1,0,0,0,0|1,0,2]=4 671 B12R0.216 CCCCC(CC)OC[C@@H](C)OC 1b7b2ae9c29566a056be5ba1bb3e6c64 [0,1,0,0,0,0|2,0,1]=4 672 B12R0.216 CCCCC(CC)OC[C@@H](O)CO 7ed8bfdfcb69cfd353ccf5ff891ab64b [0,1,0,0,0,0|1,0,2]=4 673 B12R0.216 CCCCC(CC)OC[C@H](C)OC c1c00b83512f66d870a3b94fd22a35fa [0,1,0,0,0,0|2,0,1]=4 674 B12R0.216 CCCCC(CC)OC[C@H](O)CO 04ee429bd1045a6fc1c298a18cfeb40a [0,1,0,0,0,0|1,0,2]=4 675 B12R0.216 CCCCC(CO)NCC(=O)CC 29c9a37b5247eefd73ba41f83b65d284 [0,1,0,0,0,0|3,0,0]=4 676 B12R0.216 CCCCC(CO)NCC(=O)CO 5e1c40a740f45e152c4299fe427624f3 [0,1,0,0,0,0|2,0,0]=3 677 B12R0.216 CCCCC(CO)NCC(=O)NC 9e2e43d7ee59febad345121d232dadf9 [0,1,0,0,0,0|3,0,0]=4 678 B12R0.216 CCCCC(CO)NCC(=O)NO 954595720d6aecb562b1f3fbdbff2d3e [0,1,0,0,0,0|2,0,0]=3 679 B12R0.216 CCCCC(CO)NCC(=O)OC 50ade35e60d04b612d633327a76e1cf9 [0,1,0,0,0,0|2,0,0]=3 680 B12R0.216 CCCCN(CC)CCC(=O)NC aff3442024cd528ec2725a92bd7af87b [0,1,0,0,0,0|2,0,0]=3 681 B12R0.216 CCCCN(CC)CCC(=O)OC f9363737df012161d014c9bcb33c90fc [0,1,0,0,0,0|1,0,0]=2 682 B12R0.216 CCCCN(CC)CCC(C)CO e4dce3e2d593f84a872262a4a90fd5ab [0,1,0,0,0,0|2,0,1]=4 683 B12R0.216 CCCCN(CC)COC(=O)CC 051a1b1348a2f4bf6a94921714eb3742 [0,1,0,0,0,0|3,0,0]=4 684 B12R0.216 CCCCN(CC)COC(=O)OC e6e3f70ce6d3921ab5e6855d18928afa [0,1,0,0,0,0|2,0,0]=3 685 B12R0.216 CCCC[C@@H](CC)CNC(C)CO af9157e421bb06c6ceb4df6ff9646b3b [0,1,0,0,0,0|2,0,1]=4 686 B12R0.216 CCCC[C@@H](CC)CN[C@@H](C)CO 19f446907f8e361882f6c09b117346f4 [0,1,0,0,0,0|2,0,1]=4 687 B12R0.216 CCCC[C@@H](CC)CN[C@H](C)CO 9175ca2e89c4cacd706d5ea63300ac9e [0,1,0,0,0,0|2,0,1]=4 688 B12R0.216 CCCC[C@@H](CC)COC(C)C=O c7c75702e25f424c1ac030bdd5b76b58 [0,1,0,0,0,0|2,0,1]=4 689 B12R0.216 CCCC[C@@H](CO)NCC(=O)CC 564d3ae5adb5b538426a7a09e96e1819 [0,1,0,0,0,0|3,0,0]=4 690 B12R0.216 CCCC[C@@H](CO)NCC(=O)CO be99d98c03f67ffb8f55966a395722d6 [0,1,0,0,0,0|2,0,0]=3 691 B12R0.216 CCCC[C@@H](CO)NCC(=O)NC f2f516fe42a17a83de24ff30d337cd63 [0,1,0,0,0,0|3,0,0]=4 692 B12R0.216 CCCC[C@@H](CO)NCC(=O)OC d7583c3f0323294bc5a2cf5d8d63862e [0,1,0,0,0,0|2,0,0]=3 693 B12R0.216 CCCC[C@H](CO)NCC(=O)CC 5ee4afcc3c59ea41c23da30858498c3e [0,1,0,0,0,0|3,0,0]=4 694 B12R0.216 CCCC[C@H](CO)NCC(=O)CO fd547f5a54a97b9a7f0eb61f250a62aa [0,1,0,0,0,0|2,0,0]=3 695 B12R0.216 CCCC[C@H](CO)NCC(=O)NC 2d4d49ac744901403d86a8ceef614b30 [0,1,0,0,0,0|3,0,0]=4 696 B12R0.216 CCCC[C@H](CO)NCC(=O)OC ba8ed77f5df443de5a668f775477e4b5 [0,1,0,0,0,0|2,0,0]=3 697 B12R0.216 CCN(CCC#N)CCC(=O)OC 9939675663524e4eb9c45abd9f6062a1 [0,1,0,0,0,0|2,0,1]=4 698 B12R0.216 CCN(CCC=O)CCC(=O)OC ba817719cafd3e77c10f6662e7b16f69 [0,1,0,0,0,0|2,0,1]=4 699 B12R0.216 CCN(CCCF)CCC(=O)NC fab4a8d7957cf517a69ee8cf7c2f0cc1 [0,1,0,0,0,0|3,0,0]=4 700 B12R0.216 CCN(CCCF)CCC(=O)OC fa0a85caf77bbb2b9eadf6ff176537bc [0,1,0,0,0,0|2,0,0]=3 701 B12R0.216 CCN(CCCO)CCC(=O)NC f5acd0c1a87a01ad92687def89960a35 [0,1,0,0,0,0|3,0,0]=4 702 B12R0.216 CCN(CCCO)CCC(=O)OC 1dfe31c79aa8c5792aac0ff235105ed4 [0,1,0,0,0,0|2,0,0]=3 703 B12R0.216 CCN(CCCO)COC(=O)OC a1a9e24ad3bdfa7c88939c321bc58147 [0,1,0,0,0,0|3,0,0]=4 704 B12R0.216 CCN(CCCS)CCC(=O)NC a6c0c2efe6b9858129a4094c7a025936 [0,1,0,0,0,0|3,0,0]=4 705 B12R0.216 CCN(CCCS)CCC(=O)OC 8354f70c9664b803ce78ba3627b9cf23 [0,1,0,0,0,0|2,0,0]=3 706 B12R0.216 CCN(CCOC)CCC(=O)NC 4eda35dea9ea6608cbac14965f7c306f [0,1,0,0,0,0|3,0,0]=4 707 B12R0.216 CCN(CCOC)CCC(=O)OC 5332ff0ab90ffcdc961f82f47b90e523 [0,1,0,0,0,0|2,0,0]=3 708 B12R0.216 CCN(CCOC)COC(=O)OC 750a21076f2853083d8313d54e0d74d6 [0,1,0,0,0,0|3,0,0]=4 709 B12R0.216 CCN(CCSC)CCC(=O)NC 346c675802376ea84dd1783cc82faa12 [0,1,0,0,0,0|3,0,0]=4 710 B12R0.216 CCN(CCSC)CCC(=O)OC aadf4e5ef6c99feb25dc4d976d1521cc [0,1,0,0,0,0|2,0,0]=3 711 B12R0.216 CCOCN(CC)CCC(=O)NC feba9cff0e2e62fa3fa2e36fa3701596 [0,1,0,0,0,0|3,0,0]=4 712 B12R0.216 COC(=O)CNC(CO)CCCO 227b1f9221729bdbb8ca88b6af4e1ff9 [0,1,0,0,0,0|3,0,0]=4 713 B12R0.216 COC(=O)CNC(CO)CCSC 137bbae03d34aef79147c47ba807d7c9 [0,1,0,0,0,0|3,0,0]=4 714 B12R0.216 COC(=O)CN[C@@H](CO)CCSC f530041679fdf440fe34cdad8c9fe925 [0,1,0,0,0,0|3,0,0]=4 715 B12R0.216 COC(=O)CN[C@H](CO)CCSC 3534067990b023e257ca793fbbdaf913 [0,1,0,0,0,0|3,0,0]=4 716 B12R0.216 CSCCC(CO)CNC(=O)CO fee9ada6ad4df5e5d634e367c6e0e52c [0,1,0,0,0,0|3,0,0]=4 717 B12R0.216 CSCCC(CO)NCC(=O)CO ca448e145d9f2b045be4eac5d7dbb6bc [0,1,0,0,0,0|3,0,0]=4 718 B12R0.216 CSCC[C@@H](CO)NCC(=O)CO 853a625d77ab8b48e94c95279300559c [0,1,0,0,0,0|3,0,0]=4 719 B12R0.216 CSCC[C@H](CO)NCC(=O)CO 6c0d166b8c75aafb02088eaaa2090afb [0,1,0,0,0,0|3,0,0]=4 720 B12R0.216 O=C(CO)CNC(CO)CCCO 020d5548366fbc1f876ac4406f8e8d2c [0,1,0,0,0,0|3,0,0]=4 721 B12R0.245 C#CC(CCCC)OC(C)C(=O)O bd9fc4244e243c148053043c4b8a9981 [0,1,0,0,0,0|1,0,2]=4 722 B12R0.245 C#CC(CCCC)OC(F)C(=O)O 8094fd2b14a896d7a54b67687f1f0c04 [0,1,0,0,0,0|1,0,2]=4 723 B12R0.245 C#CC(CCCC)O[C@@H](C)C(=O)O 9c62cd95dbf22119e5d63bdcdca018f6 [0,1,0,0,0,0|1,0,2]=4 724 B12R0.245 C#CC(CCCC)O[C@@H](F)C(=O)O 7ea263a040d96648d845ea092eed4f5c [0,1,0,0,0,0|1,0,2]=4 725 B12R0.245 C#CC(CCCC)O[C@H](C)C(=O)O 79724b981c47842f75aa2a5f844e151b [0,1,0,0,0,0|1,0,2]=4 726 B12R0.245 C=C(CN(CC)CCCC)C(=O)O f84f51e557fbba626514d800736fb0d9 [0,1,0,0,0,0|1,0,1]=3 727 B12R0.245 C=C(CN(CC)CCCO)C(=O)O 2cc4fa87a7e0cefcfa4ef0d6c09f6b4e [0,1,0,0,0,0|2,0,1]=4 728 B12R0.245 C=C(CN(CC)CCOC)C(=O)O 17cf5dbaba56a7a62e19f3f9477e06f5 [0,1,0,0,0,0|2,0,1]=4 729 B12R0.245 C=C(I)[C@H](C)CN(CC)CCCC 359e15401f21846dc312aaf7f01763d9 [0,1,0,0,0,0|3,0,0]=4 730 B12R0.245 C=CC(CCCC)OC(C)C(=O)O b2aca15380fb6013275ffa1af9c0d53a [0,1,0,0,0,0|1,0,2]=4 731 B12R0.245 C=CC(CCCC)OC(F)C(=O)O 37149d127593e74f56984f26e19cc35b [0,1,0,0,0,0|1,0,2]=4 732 B12R0.245 C=CC(CCCC)O[C@@H](C)C(=O)O a280ada4e83904c6151cacaf9629e705 [0,1,0,0,0,0|1,0,2]=4 733 B12R0.245 C=CC(CCCC)O[C@@H](F)C(=O)O 2da6160c19ba0350856bb8ecca0503bc [0,1,0,0,0,0|1,0,2]=4 734 B12R0.245 C=CC(CCCC)O[C@H](C)C(=O)O a06bf9fc48986765bd341d1a52f09ed0 [0,1,0,0,0,0|1,0,2]=4 735 B12R0.245 CCCCC(CC)NC(C)C(=O)N a55799baa42a11322a70a105ce10bfe8 [0,1,0,0,0,0|2,0,0]=3 736 B12R0.245 CCCCC(CC)NC(C)C(=O)O a9fb021efdf73144898d80d59bab1f0f [0,1,0,0,0,0|1,0,0]=2 737 B12R0.245 CCCCC(CC)NC(C)C(C)O 3e05f7d068d7299d37e80992695e723b [0,1,0,0,0,0|2,0,1]=4 738 B12R0.245 CCCCC(CC)NC(O)C(=O)O c0576d89442fe45bff90ad66bead06ea [0,1,0,0,0,0|1,0,0]=2 739 B12R0.245 CCCCC(CC)N[C@@H](C)C(=O)N cf29c5fe2b2905eccf6942583fba95d9 [0,1,0,0,0,0|2,0,0]=3 740 B12R0.245 CCCCC(CC)N[C@@H](C)C(=O)O d459c363f8000c1570c3fedc5b1f31df [0,1,0,0,0,0|1,0,0]=2 741 B12R0.245 CCCCC(CC)N[C@H](C)C(=O)N a9761dfd9f6a6be137fa5f2bcc207156 [0,1,0,0,0,0|2,0,0]=3 742 B12R0.245 CCCCC(CC)N[C@H](C)C(=O)O de0c9451cab90ba6a6943e6df8d374a1 [0,1,0,0,0,0|1,0,0]=2 743 B12R0.245 CCCCC(CC)OC(C)C(=O)C 6d3b69b6724d2bf2a2a82324660d7352 [0,1,0,0,0,0|2,0,0]=3 744 B12R0.245 CCCCC(CC)OC(C)C(=O)N 55e50e93efcbe0a4aec4a26f815bfbc3 [0,1,0,0,0,0|2,0,0]=3 745 B12R0.245 CCCCC(CC)OC(C)C(=O)O 1701857df36c2d42f0bd5233aae0b008 [0,1,0,0,0,0|1,0,0]=2 746 B12R0.245 CCCCC(CC)OC(F)C(=O)N 396904d4021e3061a597bde509270d2a [0,1,0,0,0,0|2,0,0]=3 747 B12R0.245 CCCCC(CC)OC(F)C(=O)O d97eb867cd90314a3ab18a2b0ec7cfa4 [0,1,0,0,0,0|1,0,0]=2 748 B12R0.245 CCCCC(CC)O[C@@H](C)C(=O)N 72103321c90144475ecab46cc61ae5f0 [0,1,0,0,0,0|2,0,0]=3 749 B12R0.245 CCCCC(CC)O[C@@H](C)C(=O)O b6614f25a505e523fa24885c093e24f8 [0,1,0,0,0,0|1,0,0]=2 750 B12R0.245 CCCCC(CC)O[C@@H](F)C(=O)O 982a0967b728ba75e6df110331ff3cf1 [0,1,0,0,0,0|1,0,0]=2 751 B12R0.245 CCCCC(CC)O[C@H](C)C(=O)N 22bbb010ee3007942431538841b3b62a [0,1,0,0,0,0|2,0,0]=3 752 B12R0.245 CCCCC(CC)O[C@H](C)C(=O)O 1d24a13b60f786f3cca9b96a98ab3c7a [0,1,0,0,0,0|1,0,0]=2 753 B12R0.245 CCCCC(CO)NC(C)C(=O)C 19fe42f29c7de3811264a6286a592859 [0,1,0,0,0,0|3,0,0]=4 754 B12R0.245 CCCCC(CO)NC(C)C(=O)N 25dc9e5e3d45a7578bfa6d3c03514229 [0,1,0,0,0,0|3,0,0]=4 755 B12R0.245 CCCCC(CO)NC(C)C(=O)O 95a7b363b595160e2b23b19c251c5051 [0,1,0,0,0,0|2,0,0]=3 756 B12R0.245 CCCCC(CO)NC(F)C(=O)N 3f18d5752476de378d8695c1fa17a5e7 [0,1,0,0,0,0|3,0,0]=4 757 B12R0.245 CCCCC(CO)NC(O)C(=O)O e92c249a3e8aeafaa50b70cdfa23b33f [0,1,0,0,0,0|2,0,0]=3 758 B12R0.245 CCCCC(CO)N[C@@H](C)C(=O)N ee450252a2076d1148caafa0a9a9c8de [0,1,0,0,0,0|3,0,0]=4 759 B12R0.245 CCCCC(CO)N[C@@H](C)C(=O)O 2ca8d664be73af6b568d5260f92c3aed [0,1,0,0,0,0|2,0,0]=3 760 B12R0.245 CCCCC(CO)N[C@H](C)C(=O)N 48f9b428fe81929420ec3f31c1432128 [0,1,0,0,0,0|3,0,0]=4 761 B12R0.245 CCCCC(CO)N[C@H](C)C(=O)O 143d5538475901d611c9ba98cf71aef2 [0,1,0,0,0,0|2,0,0]=3 762 B12R0.245 CCCCN(CC)CC(=O)C(=O)C 12049df46dffa86b378381e6a7f805a0 [0,1,0,0,0,0|2,0,1]=4 763 B12R0.245 CCCCN(CC)CC(C)C(=O)O b9e87f52e39d81d392b4f1757c39f302 [0,1,0,0,0,0|1,0,0]=2 764 B12R0.245 CCCCN(CC)CC(O)C(=O)O d6257adf676a36c563229a1f9ab8e882 [0,1,0,0,0,0|1,0,0]=2 765 B12R0.245 CCCCN(CC)C[C@H](O)C(=O)O fae18edd538ec277dc4933ec7d7f84cd [0,1,0,0,0,0|1,0,0]=2 766 B12R0.245 CCCC[C@@H](CO)NC(C)C(=O)C a4384f760fe6940e3c9770fb24094286 [0,1,0,0,0,0|3,0,0]=4 767 B12R0.245 CCCC[C@@H](CO)NC(C)C(=O)N 823341f153cf6b5196e0c7068d9901a0 [0,1,0,0,0,0|3,0,0]=4 768 B12R0.245 CCCC[C@@H](CO)NC(C)C(=O)O 9084cc317588c3911135c4d56cc4eca5 [0,1,0,0,0,0|2,0,0]=3 769 B12R0.245 CCCC[C@@H](CO)NC(F)C(=O)N b76f2f962ef67c69551c0e7f2d816f50 [0,1,0,0,0,0|3,0,0]=4 770 B12R0.245 CCCC[C@@H](CO)N[C@@H](C)C(=O)N b57931e7185e6f34fd915d06ca2a78a9 [0,1,0,0,0,0|3,0,0]=4 771 B12R0.245 CCCC[C@@H](CO)N[C@@H](C)C(=O)O bb40fa8efb013942f86375ad4a0b30de [0,1,0,0,0,0|2,0,0]=3 772 B12R0.245 CCCC[C@@H](CO)N[C@H](C)C(=O)N 9ddf7ee1e881cfe765e26aacc361f886 [0,1,0,0,0,0|3,0,0]=4 773 B12R0.245 CCCC[C@@H](CO)N[C@H](C)C(=O)O 7689281c76d9b0b288b67c982c34157d [0,1,0,0,0,0|2,0,0]=3 774 B12R0.245 CCCC[C@H](CO)NC(C)C(=O)C 1105f798deb256a31b893dd6cd336adc [0,1,0,0,0,0|3,0,0]=4 775 B12R0.245 CCCC[C@H](CO)NC(C)C(=O)N 9b3502be3be55a99ead893eb11d08ed5 [0,1,0,0,0,0|3,0,0]=4 776 B12R0.245 CCCC[C@H](CO)NC(C)C(=O)O f8858cee685f5f3f995888671406c691 [0,1,0,0,0,0|2,0,0]=3 777 B12R0.245 CCCC[C@H](CO)NC(F)C(=O)N dad9c2d58007627b05145f93c73472a6 [0,1,0,0,0,0|3,0,0]=4 778 B12R0.245 CCCC[C@H](CO)N[C@@H](C)C(=O)N 63dbf0cc6e0cdfdc76495b1ab88da8c6 [0,1,0,0,0,0|3,0,0]=4 779 B12R0.245 CCCC[C@H](CO)N[C@@H](C)C(=O)O 44f62667334875344701aa7423a81136 [0,1,0,0,0,0|2,0,0]=3 780 B12R0.245 CCCC[C@H](CO)N[C@H](C)C(=O)N 629440418ec417299a3def86b90e317e [0,1,0,0,0,0|3,0,0]=4 781 B12R0.245 CCCC[C@H](CO)N[C@H](C)C(=O)O 403586f8bef3c574d61917d09037312e [0,1,0,0,0,0|2,0,0]=3 782 B12R0.245 CCN(CCC#N)CC(C)C(=O)O 0b4b8fc77b88e5a46075fd7d829d9d70 [0,1,0,0,0,0|2,0,1]=4 783 B12R0.245 CCN(CCCO)CC(C)C(=O)O 2766d7d867085e48c98b18dd6be2bc9e [0,1,0,0,0,0|2,0,0]=3 784 B12R0.540 C=CC(CCC(=O)O)NCC(C)C 6452364964613eaf16a2628b48c35de2 [0,1,0,0,0,0|1,0,2]=4 785 B12R0.540 C=CC(CCC(=O)O)NCC(C)O 0e8c6ffb0b912cd9ed1976fd020dfc89 [0,1,0,0,0,0|1,0,2]=4 786 B12R0.540 C=CC(CCC(=O)O)NC[C@@H](C)O eabc9def677eb48746d9747d743e6c3b [0,1,0,0,0,0|1,0,2]=4 787 B12R0.540 C=CC(CCC(=O)O)NC[C@H](C)O 97b6399117a87d3797d11f0fe41a89ec [0,1,0,0,0,0|1,0,2]=4 788 B12R0.540 C=C[C@H](CCC(=O)O)NCC(C)C b250c5a7ebdbce5c43b9874ec502ec11 [0,1,0,0,0,0|1,0,2]=4 789 B12R0.540 C=C[C@H](CCC(=O)O)NCC(C)O 44d28953572185c123f67c67422879bc [0,1,0,0,0,0|1,0,2]=4 790 B12R0.540 C=C[C@H](CCC(=O)O)NC[C@@H](C)O 28ae0a08f155ef5c1d4ac55175864aaf [0,1,0,0,0,0|1,0,2]=4 791 B12R0.540 C=C[C@H](CCC(=O)O)NC[C@H](C)O 0d24c39b5793cc357cbe1cda9f988bd3 [0,1,0,0,0,0|1,0,2]=4 792 B12R0.540 CCN(CCC(=O)C)CCC(=O)N de206106ba681d37d6f66aff66a42d94 [0,1,0,0,0,0|2,0,1]=4 793 B12R0.540 CCN(CCC(=O)C)CCN(C)C c847360a136d40b74e13ef7d006992f3 [0,1,0,0,0,0|3,0,0]=4 794 B12R0.540 CCN(CCC(=O)N)CCC(C)C 752baeeeec4b198d06ed93da7d7f2785 [0,1,0,0,0,0|2,0,0]=3 795 B12R0.540 CCN(CCC(=O)N)CCC(C)O b9b29c26c82d159221ecae5343a04455 [0,1,0,0,0,0|2,0,0]=3 796 B12R0.540 CCN(CCC(=O)N)CCN(C)C 13e9ac67ab89fb7a407ab33e8f1b0222 [0,1,0,0,0,0|3,0,0]=4 797 B12R0.540 CCN(CCC(=O)N)CCS(=O)C 3d43344c0ea88e2b786a38958b5d1160 [0,1,0,0,0,0|3,0,0]=4 798 B12R0.540 CCN(CCC(=O)N)COC(C)C 9bc51f9a95d8f59527984967e7869bdd [0,1,0,0,0,0|3,0,0]=4 799 B12R0.540 CCN(CCC(=O)O)CCC(=O)O 5cd0fd454961e31eb9b7558684adc8fb [0,1,0,0,0,0|2,0,1]=4 800 B12R0.540 CCN(CCC(=O)O)CCN(C)C 516543a143124b35d46dda4c32268fb2 [0,1,0,0,0,0|2,0,0]=3 801 B12R0.608 CCCCC(CC)NCC(C)(C)O d22ee3ca6c5b5691f3d5b1ec2289ba0c [0,1,0,0,0,0|2,0,1]=4 802 B12R0.608 CCCCC(CC)NCS(=O)(=O)O 44943e1cf71a7a7321dd21246d596830 [0,1,0,0,0,0|2,0,0]=3 803 B12R0.608 CCCCC(CC)OCC(C)(C)O b2eaf569e248815c1afa3453517770d0 [0,1,0,0,0,0|2,0,1]=4 804 B12R0.608 CCCCC(CC)OCS(=O)(=O)C 9f9e90a1d6b93ae4ca5b1d9bc11f1ad2 [0,1,0,0,0,0|2,0,1]=4 805 B12R0.608 CCCCC(CC)OCS(=O)(=O)O 1fcf5bc0c0b9f74e60e5bb1d2aeed272 [0,1,0,0,0,0|2,0,0]=3 806 B12R0.608 CCCCC(CO)NCS(=O)(=O)O edcadcf300f68cfbced1198b049077dc [0,1,0,0,0,0|3,0,0]=4 807 B12R0.608 CCCCN(CC)CCC(C)(C)O 9a27e893cf8989688ee0e8a95c4dfbf0 [0,1,0,0,0,0|2,0,1]=4 808 B12R0.608 CCCCN(CC)CCS(=O)(=O)O b31d8821ef75dda89ba0513154b5ad1f [0,1,0,0,0,0|2,0,0]=3 809 B12R0.608 CCCC[C@@H](CO)NCS(=O)(=O)O 4e0c62baed8e4281fb2f2dd4f3277bda [0,1,0,0,0,0|3,0,0]=4 810 B12R0.608 CCCC[C@H](CO)NCS(=O)(=O)O 2d3d970737380526735d4b5c5dbaede1 [0,1,0,0,0,0|3,0,0]=4 811 B12R0.608 CCN(CCCO)CCS(=O)(=O)O 8e04bc44b8cf024c56981b1a6a6734f8 [0,1,0,0,0,0|3,0,0]=4 812 B12R0.608 CCN(CCOC)CCS(=O)(=O)O 627663b4b8461f6d1bb154d295529b61 [0,1,0,0,0,0|3,0,0]=4 813 B12R1.21 C=C(Br)CNC1CCC(CC1)C 851dd42a3464d1af9e933e0db6a4ac80 [0,0,0,1,0,0|3,0,0]=4 814 B12R1.21 C=C(Br)CN[C@H]1CC[C@@H](CC1)C dcb0ac3f87b92a5751cc52476370bcf9 [0,0,0,1,0,0|3,0,0]=4 815 B12R1.21 C=C(Br)CN[C@H]1CC[C@H](CC1)C 950c844c120a8c838fd9ec1f36d0510f [0,0,0,1,0,0|3,0,0]=4 816 B12R1.21 C=C(Br)COC1CCC(CC1)C 3061ecc4f41c55130bbbee9ce4d23670 [0,0,0,1,0,0|3,0,0]=4 817 B12R1.21 C=C(Br)CO[C@H]1CC[C@@H](CC1)C 6f4e36e3e18f5b4ab2683b0ade68c8fa [0,0,0,1,0,0|3,0,0]=4 818 B12R1.21 C=C(Br)CO[C@H]1CC[C@H](CC1)C 8a0218b04fc40c7ea22b9b5bd126332c [0,0,0,1,0,0|3,0,0]=4 819 B12R1.21 C=C(C)CCN1CCC(CC1)C 85d801858b112e184951b56153974e50 [0,0,0,1,0,0|3,0,0]=4 820 B12R1.21 C=C(C)CNC1CCC(CC1)C 52052fa82c6ffb3497ca307b9ea00d5a [0,0,0,1,0,0|3,0,0]=4 821 B12R1.21 C=C(C)CN[C@H]1CC[C@@H](CC1)C 12715e5c869e60c22fd1776f16375369 [0,0,0,1,0,0|3,0,0]=4 822 B12R1.21 C=C(C)CN[C@H]1CC[C@H](CC1)C ae64f5169b5d099ac0cc35fa8f653630 [0,0,0,1,0,0|3,0,0]=4 823 B12R1.21 C=C(C)COC1CCC(CC1)C f1dc36c690e52b9945d0a8fd4d645f85 [0,0,0,1,0,0|3,0,0]=4 824 B12R1.21 C=C(C)CO[C@H]1CC[C@@H](CC1)C a2bcb2fef00ec32aaa44bbc8b61597a3 [0,0,0,1,0,0|3,0,0]=4 825 B12R1.21 C=C(C)CO[C@H]1CC[C@H](CC1)C a382b55002145f1153c6dffb77ef05fb [0,0,0,1,0,0|3,0,0]=4 826 B12R1.21 C=C(Cl)CNC1CCC(CC1)C a99ae917afb934c29bc802ddc8172737 [0,0,0,1,0,0|3,0,0]=4 827 B12R1.21 C=C(Cl)CN[C@H]1CC[C@@H](CC1)C 213687598fc83989801c816061bf8780 [0,0,0,1,0,0|3,0,0]=4 828 B12R1.21 C=C(Cl)CN[C@H]1CC[C@H](CC1)C 794ae7de9843e2009d56b156bdbea334 [0,0,0,1,0,0|3,0,0]=4 829 B12R1.21 C=C(Cl)COC1CCC(CC1)C 4c3ca9eaa112d50f2c80e0cc049672c0 [0,0,0,1,0,0|3,0,0]=4 830 B12R1.21 C=C(Cl)CO[C@H]1CC[C@@H](CC1)C f08ec6e4c5e433d3de70bf03557b9d5a [0,0,0,1,0,0|3,0,0]=4 831 B12R1.21 C=C(Cl)CO[C@H]1CC[C@H](CC1)C 1c3c2d4f4dda1920289ff5f6ad0382b1 [0,0,0,1,0,0|3,0,0]=4 832 B12R1.21 C=C(F)CNC1CCC(CC1)C c6adf271f066cd614726a2b64fa28f85 [0,0,0,1,0,0|3,0,0]=4 833 B12R1.21 C=C(F)CN[C@H]1CC[C@@H](CC1)C e8b8b6a8c8913fcb31ab19f6132fe655 [0,0,0,1,0,0|3,0,0]=4 834 B12R1.21 C=C(F)CN[C@H]1CC[C@H](CC1)C 8eeb5da8ba353f5d5e73a43fca3f8e4f [0,0,0,1,0,0|3,0,0]=4 835 B12R1.21 C=C(F)COC1CCC(CC1)C 1bad943f0d7ad9e82ba083274f38a818 [0,0,0,1,0,0|3,0,0]=4 836 B12R1.21 C=C(F)CO[C@H]1CC[C@@H](CC1)C 2fe4dd6644ddc42b9de7a4c688a827e7 [0,0,0,1,0,0|3,0,0]=4 837 B12R1.21 C=C(F)CO[C@H]1CC[C@H](CC1)C 8ebd9477dbbc68f41bbf5df7284085c5 [0,0,0,1,0,0|3,0,0]=4 838 B12R1.21 C=C(I)COC1CCC(CC1)C 3a8539a8c574101562b8f6a0a92d9fbc [0,0,0,1,0,0|3,0,0]=4 839 B12R1.21 CC(=O)CCN1CCC(CC1)C 964daf7af408ca56db7882b2cc1af388 [0,0,0,1,0,0|2,0,0]=3 840 B12R1.21 CC(=O)CCN1CCC(CC1)Cl fdf13bd373e379e536183a11e8babfd2 [0,0,0,1,0,0|3,0,0]=4 841 B12R1.21 CC(=O)CCN1CCC(CC1)F 04103291cd7136d794f15381113810ae [0,0,0,1,0,0|3,0,0]=4 842 B12R1.21 CC(=O)CCN1CCC(CC1)I 2853508e528256f3f375e33508e73a83 [0,0,0,1,0,0|3,0,0]=4 843 B12R1.21 CC(=O)CCN1CCC(CC1)O fbaab19abdb0a25c1ac57865896e12ed [0,0,0,1,0,0|3,0,0]=4 844 B12R1.21 CC(=O)CCN1CCN(CC1)C 07bf73ddd3a14d30a4d0ec663104c0ce [0,0,0,1,0,0|3,0,0]=4 845 B12R1.21 CC(=O)CNC1CCC(CC1)C a9a5b3a4cfec3700356130fc2afa5c6e [0,0,0,1,0,0|2,0,0]=3 846 B12R1.21 CC(=O)CNC1CCC(CC1)O e5f01c0d3eecb2ed849fe8c5e4f0610d [0,0,0,1,0,0|3,0,0]=4 847 B12R1.21 CC(=O)CNC1CCN(CC1)C 9353e15728c8fe32cc4623d3c24a163f [0,0,0,1,0,0|3,0,0]=4 848 B12R1.21 CC(=O)COC1CCC(CC1)C ef4b08d479cebc0f83f83d99fc057e94 [0,0,0,1,0,0|2,0,0]=3 849 B12R1.21 CC(=O)COC1CCN(CC1)C 67490f58c4d0eff55009dd876f10502d [0,0,0,1,0,0|3,0,0]=4 850 B12R1.21 CC(=O)NCC1CCC(CC1)C c9c1d1253c16c317e8aa95f3dac7070d [0,0,0,1,0,0|2,0,0]=3 851 B12R1.21 CC(=O)NCC1CCC(CC1)Cl 8dc84f924baf40bbe8987d2bda07d77c [0,0,0,1,0,0|3,0,0]=4 852 B12R1.21 CC(=O)NCC1CCC(CC1)O 6719d93799b1ad24ab3c97ee131f6219 [0,0,0,1,0,0|3,0,0]=4 853 B12R1.21 CC(=O)NCC1CCN(CC1)C 7bcd45f61e86f2eea6e0cc30e29a8863 [0,0,0,1,0,0|3,0,0]=4 854 B12R1.21 CC(=O)NC[C@H]1CC[C@@H](CC1)F ccb1817a49bfaa35a7efab56ef647a62 [0,0,0,1,0,0|3,0,0]=4 855 B12R1.21 CC(=O)NC[C@H]1CC[C@@H](CC1)O d4fbd8e3809fad407544fbd7734d8732 [0,0,0,1,0,0|3,0,0]=4 856 B12R1.21 CC(=O)NC[C@H]1CC[C@H](CC1)F ad8b252d14224ed05640ee1a9140be2e [0,0,0,1,0,0|3,0,0]=4 857 B12R1.21 CC(=O)OCN1CCC(CC1)C 5dd6618e4a3f47ff44e0499281f21b5d [0,0,0,1,0,0|3,0,0]=4 858 B12R1.21 CC(O)CCN1CCC(CC1)C e286413590a6b7de54689c986c32deb0 [0,0,0,1,0,0|2,0,1]=4 859 B12R1.21 CC(O)CNC1CCC(CC1)C c38bb66ca2482706390b7fe19f0a3bd5 [0,0,0,1,0,0|2,0,1]=4 860 B12R1.21 CC(O)CN[C@H]1CC[C@@H](CC1)C e7ce200479de66ee65b851f330bf64d4 [0,0,0,1,0,0|2,0,1]=4 861 B12R1.21 CC(O)CN[C@H]1CC[C@H](CC1)C 11395056d62c11e5c5efbfc7c913deab [0,0,0,1,0,0|2,0,1]=4 862 B12R1.21 CC1CCC(CC1)NCC(=O)N 4198f7304f460f35021ae991ec504b41 [0,0,0,1,0,0|2,0,0]=3 863 B12R1.21 CC1CCC(CC1)NCC(=O)O fd25024e0c0e0624552842e32eba2d51 [0,0,0,1,0,0|1,0,0]=2 864 B12R1.21 CC1CCC(CC1)NC[C@@H](C)O 7829a547571c53eb255ce116948febc7 [0,0,0,1,0,0|2,0,1]=4 865 B12R1.21 CC1CCC(CC1)NC[C@H](C)O f151afe17a61da278b335e9f74208618 [0,0,0,1,0,0|2,0,1]=4 866 B12R1.21 CC1CCC(CC1)NC[N+](=O)[O-] 7d889442d295297b28bf81ad14b52ed9 [0,0,0,1,0,0|2,0,1]=4 867 B12R1.21 CC1CCC(CC1)OCC(=O)N 22833b0feb0ecdb10fb97872431cfb56 [0,0,0,1,0,0|2,0,0]=3 868 B12R1.21 CC1CCC(CC1)OCC(=O)O ad1e4271e09c835a48f039e217e92ade [0,0,0,1,0,0|1,0,0]=2 869 B12R1.21 CC1CCC(CC1)OCC(=S)N 0cf6d8394e5f67c95389e17a63c72425 [0,0,0,1,0,0|2,1,0]=4 870 B12R1.21 CC1CCC(CC1)OCS(=O)O 210a20472cdfa61d7345740aa40fc0d7 [0,0,0,1,0,0|2,0,0]=3 871 B12R1.21 CC1CCC(CC1)OC[N+](=O)[O-] ff9d27994d13226eb1db46b24d1ee44d [0,0,0,1,0,0|2,0,1]=4 872 B12R1.21 CC1CCN(CC1)CCC(=O)N 0bff76d236672a3c2671be911327a2f0 [0,0,0,1,0,0|2,0,0]=3 873 B12R1.21 CC1CCN(CC1)CCC(=O)O 64b5d6080da864c15ae0053f4e40cebd [0,0,0,1,0,0|1,0,0]=2 874 B12R1.21 CC1CCN(CC1)CCS(=O)C 91c150e2a1410521746b4b4699b4b114 [0,0,0,1,0,0|3,0,0]=4 875 B12R1.21 CC1CCN(CC1)CSC(=O)N 50cc8ab6b36d1cfa847d80c57696f9ec [0,0,0,1,0,0|3,0,0]=4 876 B12R1.21 CN1CCC(CC1)NCC(=O)N a57e130cfc739472016c5f7480daed52 [0,0,0,1,0,0|3,0,0]=4 877 B12R1.21 CN1CCC(CC1)NCC(=O)O 491d4c6baca424e146b430c9206d9382 [0,0,0,1,0,0|2,0,0]=3 878 B12R1.21 CN1CCC(CC1)OCC(=O)N 7cc82d227106035cd153f988b0c17924 [0,0,0,1,0,0|3,0,0]=4 879 B12R1.21 CN1CCC(CC1)OCC(=O)O 56dae87539f35f60b8bdbd21a781a2b5 [0,0,0,1,0,0|2,0,0]=3 880 B12R1.21 CN1CCC(CC1)OCS(=O)O 61883b23ea0be0df79835a63827a7a70 [0,0,0,1,0,0|3,0,0]=4 881 B12R1.21 CN1CCN(CC1)CCC(=O)N 2ad4c362a2660a4b0f2e422d220c6a8c [0,0,0,1,0,0|3,0,0]=4 882 B12R1.21 CN1CCN(CC1)CCC(=O)O 6646744d20526f98e8cec31fbd68824f [0,0,0,1,0,0|2,0,0]=3 883 B12R1.21 C[C@@H](O)CN[C@H]1CC[C@@H](CC1)C d9907db3e7cb33b2fa512aa91d3940f7 [0,0,0,1,0,0|2,0,1]=4 884 B12R1.21 C[C@@H](O)CN[C@H]1CC[C@H](CC1)C cd4c3f6fa9ca0234926d47e338ed1a44 [0,0,0,1,0,0|2,0,1]=4 885 B12R1.21 C[C@H](O)CN[C@H]1CC[C@@H](CC1)C 11f50a2cd274758724653dd8702f7dbf [0,0,0,1,0,0|2,0,1]=4 886 B12R1.21 C[C@H](O)CN[C@H]1CC[C@H](CC1)C 664a6b9860747845773c646f0f752811 [0,0,0,1,0,0|2,0,1]=4 887 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 4bf2c88f42cd58c94d5c2409ca997132 [0,0,0,1,0,0|2,0,0]=3 888 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)O 24d93b5b58838fa464a633ab7d555e6b [0,0,0,1,0,0|1,0,0]=2 889 B12R1.21 C[C@H]1CC[C@@H](CC1)NC[N+](=O)[O-] 2d48eb7c4a62103fe78afe48b85bed5b [0,0,0,1,0,0|2,0,1]=4 890 B12R1.21 C[C@H]1CC[C@@H](CC1)OCC(=O)N b0f00314f9ce9821828c5a13371f8407 [0,0,0,1,0,0|2,0,0]=3 891 B12R1.21 C[C@H]1CC[C@@H](CC1)OCC(=O)O 782caa40075a2f8dfdbaa87388e9278a [0,0,0,1,0,0|1,0,0]=2 892 B12R1.21 C[C@H]1CC[C@@H](CC1)OC[N+](=O)[O-] 3155ff123e571c7aa948dd288470f7cc [0,0,0,1,0,0|2,0,1]=4 893 B12R1.21 C[C@H]1CC[C@H](CC1)NCC(=O)N 16057a4a06d8eee1be5a0cc3a0dadb4b [0,0,0,1,0,0|2,0,0]=3 894 B12R1.21 C[C@H]1CC[C@H](CC1)NCC(=O)O e2803597100b4e412a31e2282685e222 [0,0,0,1,0,0|1,0,0]=2 895 B12R1.21 C[C@H]1CC[C@H](CC1)NC[N+](=O)[O-] ebb3b67e832ced0889fd3076a8b10194 [0,0,0,1,0,0|2,0,1]=4 896 B12R1.21 C[C@H]1CC[C@H](CC1)OCC(=O)N 683d4c141e1c7a7bb8df44c4d69bf367 [0,0,0,1,0,0|2,0,0]=3 897 B12R1.21 C[C@H]1CC[C@H](CC1)OCC(=O)O 6f6c985c4df34918c687009c9ce6b582 [0,0,0,1,0,0|1,0,0]=2 898 B12R1.21 C[C@H]1CC[C@H](CC1)OC[N+](=O)[O-] b0b20c6256e221b240f6b53a77cad833 [0,0,0,1,0,0|2,0,1]=4 899 B12R1.21 NC(=O)CCN1CCC(CC1)Cl 6813e7b3d56d72477ed5b452bcfc2f7f [0,0,0,1,0,0|3,0,0]=4 900 B12R1.21 NC(=O)CCN1CCC(CC1)F 99f294fd57cc0fdb29fd7a106eab992a [0,0,0,1,0,0|3,0,0]=4 901 B12R1.21 NC(=O)CCN1CCC(CC1)I 07ddfe5734f4dc9ac317af7e3d4c891d [0,0,0,1,0,0|3,0,0]=4 902 B12R1.21 NC(=O)CCN1CCC(CC1)O 27cb591b2705828536914042c47b4cbe [0,0,0,1,0,0|3,0,0]=4 903 B12R1.21 NC(=O)CNC1CCC(CC1)Cl 58404f106c1860b9a72c08c7bb5aa216 [0,0,0,1,0,0|3,0,0]=4 904 B12R1.21 NC(=O)CNC1CCC(CC1)O daf37e981b5e4b2dd9c636a15d19a1dc [0,0,0,1,0,0|3,0,0]=4 905 B12R1.21 NC(=O)CN[C@H]1CC[C@@H](CC1)Cl 89cc5debfae9ed12679ef7a991af84be [0,0,0,1,0,0|3,0,0]=4 906 B12R1.21 NC(=O)CN[C@H]1CC[C@@H](CC1)O 535ae338f978f1ba70744e0a736a2e71 [0,0,0,1,0,0|3,0,0]=4 907 B12R1.21 NC(=O)CN[C@H]1CC[C@H](CC1)Cl 275868afcdc3e9ab87700eb4093e3e0b [0,0,0,1,0,0|3,0,0]=4 908 B12R1.21 NC(=O)CN[C@H]1CC[C@H](CC1)O ce31c85deddb311b5758df271d189eff [0,0,0,1,0,0|3,0,0]=4 909 B12R1.21 NC(=O)COC1CCC(CC1)F c8ab288359b5b17b120071e3520f70bf [0,0,0,1,0,0|3,0,0]=4 910 B12R1.21 O=C(O)CCN1CCC(CC1)Cl a23d6f8c6824b7d0eeccdc1d5bc13dba [0,0,0,1,0,0|2,0,0]=3 911 B12R1.21 O=C(O)CCN1CCC(CC1)F 92b32019db85db6e73c492d759b45bd3 [0,0,0,1,0,0|2,0,0]=3 912 B12R1.21 O=C(O)CCN1CCC(CC1)I 6cc2d84024c1cef55735f717028ea02a [0,0,0,1,0,0|2,0,0]=3 913 B12R1.21 O=C(O)CCN1CCC(CC1)O f23313369ecd79f79cd9ae46ad447569 [0,0,0,1,0,0|2,0,0]=3 914 B12R1.21 O=C(O)CNC1CCC(CC1)Cl ea69ffe7f4865a27dfe7851e27009c21 [0,0,0,1,0,0|2,0,0]=3 915 B12R1.21 O=C(O)CNC1CCC(CC1)O e8c544aa1b4c6a4cf42683451a8e054d [0,0,0,1,0,0|2,0,0]=3 916 B12R1.21 O=C(O)CN[C@H]1CC[C@@H](CC1)Cl 3889a530376115ad920bca1f0e590393 [0,0,0,1,0,0|2,0,0]=3 917 B12R1.21 O=C(O)CN[C@H]1CC[C@@H](CC1)O 47f10d76bc38824f6e68e237d08bf2d1 [0,0,0,1,0,0|2,0,0]=3 918 B12R1.21 O=C(O)CN[C@H]1CC[C@H](CC1)Cl 3a811c8c2b768c0353b89b9eeadd4770 [0,0,0,1,0,0|2,0,0]=3 919 B12R1.21 O=C(O)CN[C@H]1CC[C@H](CC1)O 9e1b92a1bf9f48efe9e1885883f32629 [0,0,0,1,0,0|2,0,0]=3 920 B12R1.21 O=C(O)COC1CCC(=O)CC1 2b41ac92ae2025708e365fe356074f0d [0,0,0,1,0,0|2,0,1]=4 921 B12R1.21 O=C(O)COC1CCC(CC1)F db559f11e9c27a0b7886aa9a4c3fa50a [0,0,0,1,0,0|2,0,0]=3 922 B12R1.59 C#CC1CCN(C1)CCC(=O)O aa7205a83be4217f6e3fdf9b143218b7 [0,0,0,1,0,0|1,0,2]=4 923 B12R1.59 C=C(C)CCN1CCC(C1)CC 95ca474f6a05a109b4aeb5c58e880840 [0,0,0,1,0,0|3,0,0]=4 924 B12R1.59 C=CC1CCN(C1)CCC(=O)O d21315a889af6fe901fb8a576e6c91b9 [0,0,0,1,0,0|1,0,2]=4 925 B12R1.59 CC(=O)CCN1CCC(C1)CO 6e79b422b285047417519455322a7a20 [0,0,0,1,0,0|3,0,0]=4 926 B12R1.59 CC(=O)CCN1CC[C@@H](C1)CO e78085227a103f93682296f40bb5cb9d [0,0,0,1,0,0|3,0,0]=4 927 B12R1.59 CC(=O)CCN1CC[C@H](C1)CO 18126a466fad9e5207bad32f99786d70 [0,0,0,1,0,0|3,0,0]=4 928 B12R1.59 CCC1CCN(C1)CCC(=O)C 4665d4346005428d0e73aa8422df295a [0,0,0,1,0,0|2,0,0]=3 929 B12R1.59 CCC1CCN(C1)CCC(=O)N 6ec0fc8e16bf076beed56961e6367d71 [0,0,0,1,0,0|2,0,0]=3 930 B12R1.59 CCC1CCN(C1)CCC(=O)O 3458ec2b84dbdbfb88b26a56bef29c27 [0,0,0,1,0,0|1,0,0]=2 931 B12R1.59 CCC1CCN(C1)CCC(C)O 69afac0be583e729a33a2807615be2b0 [0,0,0,1,0,0|2,0,1]=4 932 B12R1.59 CCC1CCN(C1)CCS(=O)C 6735812974de0f4e8b942d03efcb506a [0,0,0,1,0,0|3,0,0]=4 933 B12R1.59 CCC1CCN(C1)COC(=O)C eb2247a8b3a5a3fbf20851822d399d3d [0,0,0,1,0,0|3,0,0]=4 934 B12R1.59 CCC1CCN(C1)CSC(=O)N ca909adae47a72635ddf96499b561705 [0,0,0,1,0,0|3,0,0]=4 935 B12R1.59 CCN1CCC(C1)CNC(=O)C 7ba20f0fe393c9faa27c7533b2159c33 [0,0,0,1,0,0|3,0,0]=4 936 B12R1.59 CCN1CCC(C1)COC(=O)C df59d792ec1095eb421af18d41351978 [0,0,0,1,0,0|3,0,0]=4 937 B12R1.59 CCN1CCC(C1)NCC(=O)C e57480f1f36557795cee163beb23edb9 [0,0,0,1,0,0|3,0,0]=4 938 B12R1.59 CCN1CCC(C1)NCC(=O)N dbba259ef15f186c2fdb0e4672fa5615 [0,0,0,1,0,0|3,0,0]=4 939 B12R1.59 CCN1CCC(C1)NCC(=O)O 148f55dd77de4c50b1499eb9c1809bd3 [0,0,0,1,0,0|2,0,0]=3 940 B12R1.59 CCN1CCC(C1)OCC(=O)C 6dde427ada46af3b71c7ce37e35da9fc [0,0,0,1,0,0|3,0,0]=4 941 B12R1.59 CCN1CCC(C1)OCC(=O)N 4766da496cfcfc99033cd442477b5b33 [0,0,0,1,0,0|3,0,0]=4 942 B12R1.59 CCN1CCC(C1)OCC(=O)O d3132526ea711377525ecb57a835990e [0,0,0,1,0,0|2,0,0]=3 943 B12R1.59 CCN1CCC(C1)OCS(=O)O d04c542ad3114dfb11bf9f8bb433718e [0,0,0,1,0,0|3,0,0]=4 944 B12R1.59 CCN1CC[C@@H](C1)NCC(=O)N e8eb252dd3e063afa03b746f2016fc4e [0,0,0,1,0,0|3,0,0]=4 945 B12R1.59 CCN1CC[C@@H](C1)NCC(=O)O 97ba3dbdd29c85d6d750a56056b6ce55 [0,0,0,1,0,0|2,0,0]=3 946 B12R1.59 CCN1CC[C@H](C1)CNC(=O)C ad289dbbf1a12ec1223bee5923995572 [0,0,0,1,0,0|3,0,0]=4 947 B12R1.59 CCN1CC[C@H](C1)NCC(=O)N 21c6ec1dd850514b3d456805b372b928 [0,0,0,1,0,0|3,0,0]=4 948 B12R1.59 CCN1CC[C@H](C1)NCC(=O)O 522a19310f9ed7793439f3b073faec71 [0,0,0,1,0,0|2,0,0]=3 949 B12R1.59 COC1CCC(C1)NCC(=O)C 9c06f9d8b9b4c49d6c62da1e950fd8a2 [0,0,0,1,0,0|3,0,0]=4 950 B12R1.59 COC1CCC(C1)NCC(=O)N 148575e563d9253edf7e1b89f361c8f3 [0,0,0,1,0,0|3,0,0]=4 951 B12R1.59 COC1CCC(C1)OCC(=O)N 67db5b86408f5b30bbb67b78e4132ca5 [0,0,0,1,0,0|3,0,0]=4 952 B12R1.59 COC1CCC(C1)OCC(=O)O 8e6b1642b36e164c8fa32ebccca5d680 [0,0,0,1,0,0|2,0,0]=3 953 B12R1.59 COC1CCN(C1)CCC(=O)C 9876a8152ad9cacdbbb8c840d6686d1d [0,0,0,1,0,0|3,0,0]=4 954 B12R1.59 COC1CCN(C1)CCC(=O)N 714a852ede9566fb8d83e5ea83f1f0a2 [0,0,0,1,0,0|3,0,0]=4 955 B12R1.59 COC1CCN(C1)CCC(=O)O 73b1a6b850865043ee84af4a4b8195c7 [0,0,0,1,0,0|2,0,0]=3 956 B12R1.59 CO[C@@H]1CCN(C1)CCC(=O)C 209826aaed5024f45ec76ef10637e1f1 [0,0,0,1,0,0|3,0,0]=4 957 B12R1.59 CO[C@@H]1CCN(C1)CCC(=O)N b734bf792bae3ff064d2d6fa291f835f [0,0,0,1,0,0|3,0,0]=4 958 B12R1.59 CO[C@@H]1CCN(C1)CCC(=O)O 5a5d1506354baec16d9db6ce93aed9f2 [0,0,0,1,0,0|2,0,0]=3 959 B12R1.59 CO[C@@H]1CC[C@@H](C1)OCC(=O)N 1fcd3bf098361300c81f787238f769cb [0,0,0,1,0,0|3,0,0]=4 960 B12R1.59 CO[C@@H]1CC[C@@H](C1)OCC(=O)O 9b42e05de46c98fac7bf89dc424a089b [0,0,0,1,0,0|2,0,0]=3 961 B12R1.59 CO[C@@H]1CC[C@H](C1)OCC(=O)N bef8296267f3d490de7819784cc1b79c [0,0,0,1,0,0|3,0,0]=4 962 B12R1.59 CO[C@@H]1CC[C@H](C1)OCC(=O)O 6dd3f7143ad9993a4477b1a0ecc5b0b0 [0,0,0,1,0,0|2,0,0]=3 963 B12R1.59 CO[C@H]1CCN(C1)CCC(=O)C ac4d37fcb8883b41f5250c6ebc098d33 [0,0,0,1,0,0|3,0,0]=4 964 B12R1.59 CO[C@H]1CCN(C1)CCC(=O)N 328ed253f5e5ccce0c2979f22a5bfd91 [0,0,0,1,0,0|3,0,0]=4 965 B12R1.59 CO[C@H]1CCN(C1)CCC(=O)O 89bd7829ac4b3dd638c86ad197f01c9f [0,0,0,1,0,0|2,0,0]=3 966 B12R1.59 CO[C@H]1CC[C@H](C1)NCC(=O)N b5757471f32b742d1ad3252c7a42e401 [0,0,0,1,0,0|3,0,0]=4 967 B12R1.59 CO[C@H]1CC[C@H](C1)NCC(=O)O 2448c656f3c34880c2fc5f28ea4e6971 [0,0,0,1,0,0|2,0,0]=3 968 B12R1.59 N#CC1CCC(C1)NCC(=O)O efeea00f0f6c4d5cdb3855a658635398 [0,0,0,1,0,0|2,0,1]=4 969 B12R1.59 N#CC1CCC(C1)OCC(=O)O 582a670eeadcb32a01f0a4253cc3c7b8 [0,0,0,1,0,0|2,0,1]=4 970 B12R1.59 N#CC1CCN(C1)CCC(=O)O fc7765e183a9d8d565517ae350178114 [0,0,0,1,0,0|2,0,1]=4 971 B12R1.59 N#C[C@@H]1CCN(C1)CCC(=O)O a66bae7a9c788e53eefe419712dd6ea5 [0,0,0,1,0,0|2,0,1]=4 972 B12R1.59 N#C[C@@H]1CC[C@H](C1)OCC(=O)O a8e77f078247beb03b98d56d688f1b11 [0,0,0,1,0,0|2,0,1]=4 973 B12R1.59 N#C[C@H]1CCN(C1)CCC(=O)O ae15296429df08fb294bfa6953023e60 [0,0,0,1,0,0|2,0,1]=4 974 B12R1.59 NC(=O)CCN1CCC(C1)CO a6e38c0c31b80ec099b8f07d330d6640 [0,0,0,1,0,0|3,0,0]=4 975 B12R1.59 NC(=O)CCN1CC[C@@H](C1)CO 8db08f10669ad90a81e665511012b233 [0,0,0,1,0,0|3,0,0]=4 976 B12R1.59 NC(=O)CCN1CC[C@H](C1)CO b5beb893fc9c55dde79970699c4d51cc [0,0,0,1,0,0|3,0,0]=4 977 B12R1.59 NC(=O)CNC1CCC(C1)CO c03ffd18f812daf7d82549619ce54211 [0,0,0,1,0,0|3,0,0]=4 978 B12R1.59 NC(=O)CN[C@@H]1CC[C@@H](C1)CO 24279c14cb83c002fea8fe9d938ee070 [0,0,0,1,0,0|3,0,0]=4 979 B12R1.59 NC(=O)CN[C@@H]1CC[C@H](C1)CO 9f5b0b54af394ba515d45b282f53dbb0 [0,0,0,1,0,0|3,0,0]=4 980 B12R1.59 NC(=O)CN[C@H]1CC[C@@H](C1)CO fda84361a6a884067cf4c8ca865b022d [0,0,0,1,0,0|3,0,0]=4 981 B12R1.59 NC(=O)CN[C@H]1CC[C@H](C1)CO 59083db46ca9185484be19012711b018 [0,0,0,1,0,0|3,0,0]=4 982 B12R1.59 O=C(O)CCN1CCC(C1)CO 461e74b6a5f43414c80f1bbcfa92d0de [0,0,0,1,0,0|2,0,0]=3 983 B12R1.59 O=C(O)CCN1CC[C@@H](C1)CO 5fd793ea1c57220b0abc38c1dfecf954 [0,0,0,1,0,0|2,0,0]=3 984 B12R1.59 O=C(O)CCN1CC[C@H](C1)CO 4cbb79dcbb4547a8f83aaa58032fa364 [0,0,0,1,0,0|2,0,0]=3 985 B12R1.59 O=C(O)CNC1CCC(C1)CO 93ed5186bf907aa0a8b3b498a281d428 [0,0,0,1,0,0|2,0,0]=3 986 B12R1.59 O=C(O)CN[C@@H]1CC[C@@H](C1)CO a6dcc341a8249cde482b7ebd23f33ca5 [0,0,0,1,0,0|2,0,0]=3 987 B12R1.59 O=C(O)CN[C@@H]1CC[C@H](C1)CO 58194550f2c488cb47d77818d9e43b15 [0,0,0,1,0,0|2,0,0]=3 988 B12R1.59 O=C(O)CN[C@H]1CC[C@@H](C1)CO 659789b2ed033c6fa09fb67e1d032022 [0,0,0,1,0,0|2,0,0]=3 989 B12R1.59 O=C(O)CN[C@H]1CC[C@H](C1)CO 1f395ffb415c2cdc897237676a2dc44c [0,0,0,1,0,0|2,0,0]=3 990 B12R1.69 CC1CC(=O)CCC1OCCF 04b15514f1b6b5aa1ef59c959bf5264f [0,0,0,1,0,0|3,0,0]=4 991 B12R1.69 CC1CC(=O)CCC1OCCS da2622ca397c6f52f0dd9ee686d07edf [0,0,0,1,0,0|3,0,0]=4 992 B12R1.69 CC1NC(=O)CCC1OCCF fc4768a708a59266d3180ed1f871d9ef [0,0,0,1,0,0|3,0,0]=4 993 B12R1.69 CC1NC(=O)CCC1OCCS 3814381cd05bd67a3d96ce0d5955f3ce [0,0,0,1,0,0|3,0,0]=4 994 B12R1.69 CCCCN1CCC(CC1C)O aaf84f4315ad58909790c6d64f87ee75 [0,0,0,1,0,0|2,0,1]=4 995 B12R1.69 CCCCN1CC[C@@H](C[C@H]1C)O 1227db402bd7dc9a0646bfe988e107b9 [0,0,0,1,0,0|2,0,1]=4 996 B12R1.69 CCCCN1CC[C@H](C[C@H]1C)O ee3b90b18cbcc56561f366dcf129060a [0,0,0,1,0,0|2,0,1]=4 997 B12R1.69 CCCOC1CCC(=O)CC1C 89bf2ebc9c694040d723abd3742c1391 [0,0,0,1,0,0|2,0,0]=3 998 B12R1.69 CCCOC1CCC(=O)NC1C 90e42a045e5bef164d4cf242fdfc5773 [0,0,0,1,0,0|2,0,0]=3 999 B12R1.69 COCOC1CCC(=O)CC1C d1ccbbaf661c3f87fdb0b87a2a02e63f [0,0,0,1,0,0|3,0,0]=4 1000 B12R1.69 COCOC1CCC(=O)NC1C 6bf36e4b82105350e0b0688c1e7cf392 [0,0,0,1,0,0|3,0,0]=4 1001 B12R1.69 CSCOC1CCC(=O)CC1C b3f5250c17ca99f1e92748d3c2739a7f [0,0,0,1,0,0|3,0,0]=4 1002 B12R1.69 CSCOC1CCC(=O)NC1C 0794d18e969af692c48ee4891f08af8a [0,0,0,1,0,0|3,0,0]=4 1003 B12R1.70 CCCCN1CCC(CC1)(C)O 072afd09d398d5d88695433977ab44cd [0,0,0,1,0,0|2,0,1]=4 1004 B12R1.70 CCCCN1CCS(=N)(=O)CC1 dc7132d166fa2787fadbc6f120518109 [0,0,0,1,0,0|3,0,0]=4 1005 B12R1.70 CCCCN1CCS(=O)(=O)CC1 28f46ff2ab45135ac23b8208b099f109 [0,0,0,1,0,0|2,0,1]=4 1006 B12R1.70 CCCNC1CCC(CC1)(C)O dca6acdbeb361d7fbec344f95ac83a6d [0,0,0,1,0,0|2,0,1]=4 1007 B12R1.70 CCCNC1CCS(=O)(=O)CC1 5d30baf95857c50a896aebab13661514 [0,0,0,1,0,0|2,0,1]=4 1008 B12R1.70 CCCN[C@H]1CC[C@@](CC1)(C)O 49f5dbd4298acae85037a8a299f1ccf9 [0,0,0,1,0,0|2,0,1]=4 1009 B12R1.70 CCCN[C@H]1CC[C@](CC1)(C)O f65dc62030d8257051ea16e8f75e54e2 [0,0,0,1,0,0|2,0,1]=4 1010 B12R1.70 CCCOC1CCS(=O)(=O)CC1 2b635c96f29cf50fb5c80be15bffa03a [0,0,0,1,0,0|2,0,1]=4 1011 B12R1.70 CCNCC1CCC(CC1)(C)O 2146b24d65805a4af7a8bfbac0cab738 [0,0,0,1,0,0|2,0,1]=4 1012 B12R1.70 CCNCC1CCS(=O)(=O)CC1 30b8c76dd262a940720bfd76ec7ba956 [0,0,0,1,0,0|2,0,1]=4 1013 B12R1.70 CCNC[C@H]1CC[C@](CC1)(C)O f7861f72d55c51aaab4b8fcd74f08c9a [0,0,0,1,0,0|2,0,1]=4 1014 B12R1.70 CCOCC1CCS(=O)(=O)CC1 a344a683fd95f0e9a1b77c66b5f3059a [0,0,0,1,0,0|2,0,1]=4 1015 B12R1.75 C#CC1CCCCN1CC(=O)O ca02edee913c4e611efe6aa2a6c303d8 [0,0,0,1,0,0|1,0,2]=4 1016 B12R1.75 C=C(Br)CN1CCCCC1CC 0dafb55d5fc9a968b96eb1e99795ca39 [0,0,0,1,0,0|3,0,0]=4 1017 B12R1.75 C=C(Br)CN1CCCC[C@@H]1CC b05a30dc9269481b5372f9c550cd791b [0,0,0,1,0,0|3,0,0]=4 1018 B12R1.75 C=C(Br)CN1CCCC[C@H]1CC d02be964f64637c6728abdc09841ded4 [0,0,0,1,0,0|3,0,0]=4 1019 B12R1.75 C=C(C)CN1CCCCC1CC 96d148ee007527d140c183edbcb0be16 [0,0,0,1,0,0|3,0,0]=4 1020 B12R1.75 C=C(C)CN1CCCC[C@@H]1CC c265d55fc22dc66e7f65a47d579722e7 [0,0,0,1,0,0|3,0,0]=4 1021 B12R1.75 C=C(C)CN1CCCC[C@H]1CC 99c40e27f542b4af530dc64a4b57ed12 [0,0,0,1,0,0|3,0,0]=4 1022 B12R1.75 C=C(Cl)CN1CCCCC1CC 261bb0875115504351f1bb315942870a [0,0,0,1,0,0|3,0,0]=4 1023 B12R1.75 C=C(Cl)CN1CCCC[C@@H]1CC 872cc6f145736c7cddbde831d9a9383a [0,0,0,1,0,0|3,0,0]=4 1024 B12R1.75 C=C(Cl)CN1CCCC[C@H]1CC 8d387867cab5ed8927b6828a4275aa79 [0,0,0,1,0,0|3,0,0]=4 1025 B12R1.75 C=C(F)CN1CCCCC1CC 7dd063f9f19f72381cb9218f3c82f71e [0,0,0,1,0,0|3,0,0]=4 1026 B12R1.75 C=C(F)CN1CCCC[C@@H]1CC f477be4f367e5be3e5d8956839e57bf5 [0,0,0,1,0,0|3,0,0]=4 1027 B12R1.75 C=C(F)CN1CCCC[C@H]1CC 841267e0b605daa9bdbd7e96d814752d [0,0,0,1,0,0|3,0,0]=4 1028 B12R1.75 CC(=O)N[C@@H]1CCCC[C@@H]1CO 8f9e50721c33c6dad55c3f59dec521f5 [0,0,0,1,0,0|3,0,0]=4 1029 B12R1.75 CC(=O)N[C@@H]1CCCC[C@H]1CO d69e950a06bc333a887a9e38e9c7470f [0,0,0,1,0,0|3,0,0]=4 1030 B12R1.75 CC(=O)N[C@H]1CCCC[C@H]1CO 75bd8c242b4a173030c4f053278681fd [0,0,0,1,0,0|3,0,0]=4 1031 B12R1.75 CCC1CCCCN1CC(=O)N b90fec2a018c3ef0e670c92ea2a85560 [0,0,0,1,0,0|2,0,0]=3 1032 B12R1.75 CCC1CCCCN1CC(=O)O 927c1ccdc3bc10095f1cfa6f4f5ae3e1 [0,0,0,1,0,0|1,0,0]=2 1033 B12R1.75 CCC1CCCCN1CC(C)O 910693e156ae677676e1232e551852c8 [0,0,0,1,0,0|2,0,1]=4 1034 B12R1.75 CCC1CCCCN1C[C@@H](C)O 0ed3d06f1d9af2b98bb3e364c1e3afb6 [0,0,0,1,0,0|2,0,1]=4 1035 B12R1.75 CCC1CCCCN1C[C@H](C)O feed4c0a18502f3cffa305cb83c043a0 [0,0,0,1,0,0|2,0,1]=4 1036 B12R1.75 CCC1CCCCN1C[N+](=O)[O-] e05aee4288f61a5cc13c2b6a27a6fd48 [0,0,0,1,0,0|2,0,1]=4 1037 B12R1.75 CCC1COCCC1NC(=O)C 1392d686aaee871e6c17042b6bdb32eb [0,0,0,1,0,0|3,0,0]=4 1038 B12R1.75 CCC1COCCN1CC(=O)N 526c7d207af96c22bef4f5a2383a243f [0,0,0,1,0,0|3,0,0]=4 1039 B12R1.75 CCC1COCCN1CC(=O)O 2507332be47a919629377faf25ec9c92 [0,0,0,1,0,0|2,0,0]=3 1040 B12R1.75 CCN1CCCCC1CC(=O)N ff737a0d71932dbe5f9b856e801737c8 [0,0,0,1,0,0|2,0,0]=3 1041 B12R1.75 CCN1CCCCC1CC(=O)O c3002eeca6985d258459f1a392e0c8f3 [0,0,0,1,0,0|1,0,0]=2 1042 B12R1.75 CCN1CCCC[C@@H]1CC(=O)N 347254b1c4164948510682e3371d45a5 [0,0,0,1,0,0|2,0,0]=3 1043 B12R1.75 CCN1CCCC[C@H]1CC(=O)N 7c35db2ac359baea15c8a74198b11910 [0,0,0,1,0,0|2,0,0]=3 1044 B12R1.75 CCN1CCCC[C@H]1CC(=O)O 22529d59a874477d2e853ae063f37cd0 [0,0,0,1,0,0|1,0,0]=2 1045 B12R1.75 CCN1CCOCC1CC(=O)O 73f6105815655e6bfc87c697622a308d [0,0,0,1,0,0|2,0,0]=3 1046 B12R1.75 CC[C@@H]1CCCCN1CC(=O)N c54d3c87011d4f6e54a8247765ec3d7d [0,0,0,1,0,0|2,0,0]=3 1047 B12R1.75 CC[C@@H]1CCCCN1CC(=O)O 3af3611fb81c94d9cdc25441a542c595 [0,0,0,1,0,0|1,0,0]=2 1048 B12R1.75 CC[C@@H]1CCCCN1CC(C)O b5835df13ad9d9e85850e7dcb1162db7 [0,0,0,1,0,0|2,0,1]=4 1049 B12R1.75 CC[C@@H]1CCCCN1C[C@@H](C)O 17d440d3e2fbe78b2e88074f2b2c2b92 [0,0,0,1,0,0|2,0,1]=4 1050 B12R1.75 CC[C@@H]1CCCCN1C[C@H](C)O 01ba6616d957c772e281bb1abe7dd00c [0,0,0,1,0,0|2,0,1]=4 1051 B12R1.75 CC[C@@H]1CCCCN1C[N+](=O)[O-] c4219ddfae3d824feb293777d2d3ead2 [0,0,0,1,0,0|2,0,1]=4 1052 B12R1.75 CC[C@@H]1COCCN1CC(=O)N a524c7660b85d512568f13e1629c9ffe [0,0,0,1,0,0|3,0,0]=4 1053 B12R1.75 CC[C@@H]1COCCN1CC(=O)O cbc0179a93e4c6e48103b1eab537ad81 [0,0,0,1,0,0|2,0,0]=3 1054 B12R1.75 CC[C@H]1CCCCN1CC(=O)N cf7519c1dde04ad687de8467f1097e7d [0,0,0,1,0,0|2,0,0]=3 1055 B12R1.75 CC[C@H]1CCCCN1CC(=O)O d53cd7f8b90743d8db50d82ed6978893 [0,0,0,1,0,0|1,0,0]=2 1056 B12R1.75 CC[C@H]1CCCCN1CC(C)O ecb9b00f55561fb9493f32ebd5dd0984 [0,0,0,1,0,0|2,0,1]=4 1057 B12R1.75 CC[C@H]1CCCCN1C[C@@H](C)O f7f6d10834db6ef1c04716b77ec96649 [0,0,0,1,0,0|2,0,1]=4 1058 B12R1.75 CC[C@H]1CCCCN1C[C@H](C)O c4294037b1e877830bd27718de73f630 [0,0,0,1,0,0|2,0,1]=4 1059 B12R1.75 CC[C@H]1CCCCN1C[N+](=O)[O-] fc26c1e1386d4f453eb1d5c4824c93be [0,0,0,1,0,0|2,0,1]=4 1060 B12R1.75 CC[C@H]1COCCN1CC(=O)N f5d0eba886ee00da2702f6701d60eb51 [0,0,0,1,0,0|3,0,0]=4 1061 B12R1.75 CC[C@H]1COCCN1CC(=O)O de0cbfc2763ef11a61c31fe09fbff030 [0,0,0,1,0,0|2,0,0]=3 1062 B12R1.75 COC1CCCCC1NC(=O)C dc1c8dae94301addfb335bd3da95b6ec [0,0,0,1,0,0|3,0,0]=4 1063 B12R1.75 CO[C@H]1CCCC[C@@H]1NC(=O)C e667fce05527adb17a821d74d4534c25 [0,0,0,1,0,0|3,0,0]=4 1064 B12R1.75 N#CC1CCCCN1CC(=O)O b600f36cf81ec0c0e96b03d229224f26 [0,0,0,1,0,0|2,0,1]=4 1065 B12R1.75 N#C[C@@H]1CCCCN1CC(=O)O 1d4769910115ae477450eeeb69f2188b [0,0,0,1,0,0|2,0,1]=4 1066 B12R1.75 N#C[C@H]1CCCCN1CC(=O)O 95d25423a6486d09d138641fb8e0b4f1 [0,0,0,1,0,0|2,0,1]=4 1067 B12R1.75 NC(=O)CC1CCCCN1CF 3a9e3d4a626ebca214750114aac2f7a9 [0,0,0,1,0,0|3,0,0]=4 1068 B12R1.75 NC(=O)CC1CCCCN1CO 373a392e234042774b740e22b88d1c38 [0,0,0,1,0,0|3,0,0]=4 1069 B12R1.75 NC(=O)CN1CCCCC1CO 1d1a51508edbee17cb2307060c5a5cb6 [0,0,0,1,0,0|3,0,0]=4 1070 B12R1.75 NC(=O)CN1CCCC[C@@H]1CO 027c972434a2486773f889a9f8c19ee9 [0,0,0,1,0,0|3,0,0]=4 1071 B12R1.75 NC(=O)CN1CCCC[C@H]1CO dbd2d162853676517254e4d1696f1c97 [0,0,0,1,0,0|3,0,0]=4 1072 B12R1.75 NC(=O)C[C@@H]1CCCCN1CF ae83c78b640aa97e8efa7cbae0859937 [0,0,0,1,0,0|3,0,0]=4 1073 B12R1.75 NC(=O)C[C@@H]1CCCCN1CO 310d3657afeacbc51aeb266afe5d4add [0,0,0,1,0,0|3,0,0]=4 1074 B12R1.75 NC(=O)C[C@H]1CCCCN1CF 9698254585ae58d45e20e8e1b058151a [0,0,0,1,0,0|3,0,0]=4 1075 B12R1.75 NC(=O)C[C@H]1CCCCN1CO e7528572a09aeff1a4839a41cee424c0 [0,0,0,1,0,0|3,0,0]=4 1076 B12R1.75 O=C(O)CC1CCCCN1CF d9873bba51903a735e98fed234679270 [0,0,0,1,0,0|2,0,0]=3 1077 B12R1.75 O=C(O)CC1CCCCN1CO a512b66c2706fef5ec5dbf05211c7f15 [0,0,0,1,0,0|2,0,0]=3 1078 B12R1.75 O=C(O)CC1COCCN1CF c828cd584c951702707f0322aa0c3eca [0,0,0,1,0,0|3,0,0]=4 1079 B12R1.75 O=C(O)CC1COCCN1CO 32a25197fc77e252ccc0d1f06c4bb4d2 [0,0,0,1,0,0|3,0,0]=4 1080 B12R1.75 O=C(O)CN1CCCCC1CO 24730fe2a5dad4021a8efbf6bfe6f2f0 [0,0,0,1,0,0|2,0,0]=3 1081 B12R1.75 O=C(O)CN1CCCC[C@@H]1CO f02599132378e21e112fb47f512c0693 [0,0,0,1,0,0|2,0,0]=3 1082 B12R1.75 O=C(O)CN1CCCC[C@H]1CO 2e75eba972cb3b77b831e98b0c2d4876 [0,0,0,1,0,0|2,0,0]=3 1083 B12R1.75 O=C(O)CN1CCOCC1CO 2d2fcbbae45aa2bd518f5805d9148bc4 [0,0,0,1,0,0|3,0,0]=4 1084 B12R1.75 O=C(O)CN1CCOC[C@@H]1CO eb1f13e6edb8a9b989dfe153ad8f5961 [0,0,0,1,0,0|3,0,0]=4 1085 B12R1.75 O=C(O)CN1CCOC[C@H]1CO 5c2d2e53ceda20ef5d2cd1f07d63490e [0,0,0,1,0,0|3,0,0]=4 1086 B12R1.75 O=C(O)C[C@@H]1CCCCN1CF 3b18bcfdbf0bc7d0d3ce7e93874b0b04 [0,0,0,1,0,0|2,0,0]=3 1087 B12R1.75 O=C(O)C[C@@H]1CCCCN1CO aa1a54b51507b3e52b206a6cd96f4ee3 [0,0,0,1,0,0|2,0,0]=3 1088 B12R1.75 O=CC1CCCCN1CC(=O)O 73e0098177836bf54b3c5ac1b2ddb51e [0,0,0,1,0,0|2,0,1]=4 1089 B12R1.125 C=C(Br)CNC1CCCCC1C 87dcb8a749d04aad2e8f5adf8ddfe6cf [0,0,0,1,0,0|3,0,0]=4 1090 B12R1.125 C=C(Br)CN[C@@H]1CCCC[C@@H]1C a4d64f1bb112960ff89a97452cafd752 [0,0,0,1,0,0|3,0,0]=4 1091 B12R1.125 C=C(Br)CN[C@@H]1CCCC[C@H]1C 94a6ceed794d79cdcf1eca43a9722e06 [0,0,0,1,0,0|3,0,0]=4 1092 B12R1.125 C=C(Br)CN[C@H]1CCCC[C@@H]1C 33b0e70f3f1affd15bfea9753039b7dd [0,0,0,1,0,0|3,0,0]=4 1093 B12R1.125 C=C(Br)CN[C@H]1CCCC[C@H]1C 1aa6d0cb14443470dd2943a5d87dd565 [0,0,0,1,0,0|3,0,0]=4 1094 B12R1.125 C=C(Br)COC1CCCCC1C bdb9f073507cbc6a5e7952bae8af0061 [0,0,0,1,0,0|3,0,0]=4 1095 B12R1.125 C=C(Br)CO[C@@H]1CCCC[C@@H]1C f6fcc7197eb0f650fd2905604ed244e0 [0,0,0,1,0,0|3,0,0]=4 1096 B12R1.125 C=C(Br)CO[C@H]1CCCC[C@@H]1C 4edab6e59fe84116175f1629599ac681 [0,0,0,1,0,0|3,0,0]=4 1097 B12R1.125 C=C(Br)CO[C@H]1CCCC[C@H]1C d6ba02f5c26f7bedee893c73e1e9c32a [0,0,0,1,0,0|3,0,0]=4 1098 B12R1.125 C=C(C)CCN1CCCCC1C 5e3948e378c54a08d74ac3b12e9e243b [0,0,0,1,0,0|3,0,0]=4 1099 B12R1.125 C=C(C)CCN1CCCC[C@@H]1C 4853860152fd175c45aebb26b9f3c584 [0,0,0,1,0,0|3,0,0]=4 1100 B12R1.125 C=C(C)CCN1CCCC[C@H]1C efbf669d9cef146a1e6c8a750c829ef9 [0,0,0,1,0,0|3,0,0]=4 1101 B12R1.125 C=C(C)CNC1CCCCC1C d354e3a7b03f36127b6d934935584bf3 [0,0,0,1,0,0|3,0,0]=4 1102 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@@H]1C aa3cdb38a418ab54b431f16842a75e18 [0,0,0,1,0,0|3,0,0]=4 1103 B12R1.125 C=C(C)CN[C@@H]1CCCC[C@H]1C 49ff88d43cd211b5e40c3fa79d718916 [0,0,0,1,0,0|3,0,0]=4 1104 B12R1.125 C=C(C)CN[C@H]1CCCC[C@@H]1C 6dbfde6e045d7353f1b6058d658365db [0,0,0,1,0,0|3,0,0]=4 1105 B12R1.125 C=C(C)CN[C@H]1CCCC[C@H]1C 1cedbbdff4c21f90dd11a6ce2550a59f [0,0,0,1,0,0|3,0,0]=4 1106 B12R1.125 C=C(C)COC1CCCCC1C c21ae74c6806932443719fd3e10e8ea8 [0,0,0,1,0,0|3,0,0]=4 1107 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@@H]1C ab673181c4a7b9ec245493339d874abb [0,0,0,1,0,0|3,0,0]=4 1108 B12R1.125 C=C(C)CO[C@H]1CCCC[C@@H]1C 30804d0053f65e56d3ca7f6f0172ab4d [0,0,0,1,0,0|3,0,0]=4 1109 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1C c869d5bab3e458a96656f87add14c36e [0,0,0,1,0,0|3,0,0]=4 1110 B12R1.125 C=C(Cl)CNC1CCCCC1C e405a07b7c3c18fae49a6bf6469f330a [0,0,0,1,0,0|3,0,0]=4 1111 B12R1.125 C=C(Cl)CN[C@@H]1CCCC[C@@H]1C 083251580504fcc5ed735a731ada3ca9 [0,0,0,1,0,0|3,0,0]=4 1112 B12R1.125 C=C(Cl)CN[C@@H]1CCCC[C@H]1C 81325e6d7f9938fbbca3a3fa3eeabf7f [0,0,0,1,0,0|3,0,0]=4 1113 B12R1.125 C=C(Cl)CN[C@H]1CCCC[C@@H]1C cbb5d1a656ac3fe3f1ad14456a3705c5 [0,0,0,1,0,0|3,0,0]=4 1114 B12R1.125 C=C(Cl)CN[C@H]1CCCC[C@H]1C a09a2916ffec5fa72d1d3628df1e95c6 [0,0,0,1,0,0|3,0,0]=4 1115 B12R1.125 C=C(Cl)COC1CCCCC1C f095e532beb1d9465e5d06b68305902d [0,0,0,1,0,0|3,0,0]=4 1116 B12R1.125 C=C(Cl)CO[C@@H]1CCCC[C@@H]1C 9d551701085495a5c2b283908a082d98 [0,0,0,1,0,0|3,0,0]=4 1117 B12R1.125 C=C(Cl)CO[C@H]1CCCC[C@@H]1C a78e5b1bf0336b83fd5c66b9a5d40bf8 [0,0,0,1,0,0|3,0,0]=4 1118 B12R1.125 C=C(Cl)CO[C@H]1CCCC[C@H]1C 094133bea9e9985e279bd0bf91a549e4 [0,0,0,1,0,0|3,0,0]=4 1119 B12R1.125 C=C(F)CNC1CCCCC1C 147efa7d66a4e31e9f1c068a45ea754b [0,0,0,1,0,0|3,0,0]=4 1120 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@@H]1C 70b6f34f37b2afd31870638081420b8f [0,0,0,1,0,0|3,0,0]=4 1121 B12R1.125 C=C(F)CN[C@@H]1CCCC[C@H]1C f841c81f75889fc876eb9f5908d91050 [0,0,0,1,0,0|3,0,0]=4 1122 B12R1.125 C=C(F)CN[C@H]1CCCC[C@@H]1C adc5d5361fee7a6f928fd58d9ce5990d [0,0,0,1,0,0|3,0,0]=4 1123 B12R1.125 C=C(F)CN[C@H]1CCCC[C@H]1C 77f5d49e86fd6f2b594e0c62ae303988 [0,0,0,1,0,0|3,0,0]=4 1124 B12R1.125 C=C(F)COC1CCCCC1C 5c135062f5df668d8bf4f4e6c52c8eca [0,0,0,1,0,0|3,0,0]=4 1125 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@@H]1C de2219e8096e4c2bee49e325cefd4394 [0,0,0,1,0,0|3,0,0]=4 1126 B12R1.125 C=C(F)CO[C@H]1CCCC[C@@H]1C a3ce67ca73a9705fba39b1d629528ef7 [0,0,0,1,0,0|3,0,0]=4 1127 B12R1.125 C=C(F)CO[C@H]1CCCC[C@H]1C f88d287c7cf4382b60fe0bb63d408725 [0,0,0,1,0,0|3,0,0]=4 1128 B12R1.125 C=C(I)CO[C@H]1CCCC[C@H]1C e18b3511c894babe966e1be287cb696f [0,0,0,1,0,0|3,0,0]=4 1129 B12R1.125 CC(=O)CCN1CCCCC1C aa745b8f303bbb7710d77a5ea955c557 [0,0,0,1,0,0|2,0,0]=3 1130 B12R1.125 CC(=O)CCN1CCCC[C@@H]1C ec29656b7b61586f32a18528a6b8c70e [0,0,0,1,0,0|2,0,0]=3 1131 B12R1.125 CC(=O)CCN1CCCC[C@H]1C 2620bdaf27a96734997072416d5b0014 [0,0,0,1,0,0|2,0,0]=3 1132 B12R1.125 CC(=O)CCN1CCOCC1C 96d786a988d8de2d7309cbcc588adb14 [0,0,0,1,0,0|3,0,0]=4 1133 B12R1.125 CC(=O)CCN1CCOC[C@@H]1C e68e70c03f6391cc06fa159f55d1dc54 [0,0,0,1,0,0|3,0,0]=4 1134 B12R1.125 CC(=O)CCN1CCOC[C@H]1C 75fdfd24d1450b16db006c72145353c1 [0,0,0,1,0,0|3,0,0]=4 1135 B12R1.125 CC(=O)CNC1CCCCC1F 7d78a70482e7864878e494727152c0f6 [0,0,0,1,0,0|3,0,0]=4 1136 B12R1.125 CC(=O)CNC1CCCCC1O 406cf1374811ea0785bb6958cedaeacf [0,0,0,1,0,0|3,0,0]=4 1137 B12R1.125 CC(=O)CN[C@H]1CCCC[C@@H]1O a1d600d26dcaa0bf6a4d49ea7d4fbbe5 [0,0,0,1,0,0|3,0,0]=4 1138 B12R1.125 CC(=O)CN[C@H]1CCCC[C@H]1C ee102bf7fa95e24028ce4080aed42e05 [0,0,0,1,0,0|2,0,0]=3 1139 B12R1.125 CC(=O)COC1CCCCC1F d3d908bb03a8b6c8761ffc6d949871ca [0,0,0,1,0,0|3,0,0]=4 1140 B12R1.125 CC(=O)CO[C@H]1CCCC[C@H]1C 1dcd57c6fd842f45365c605c58c0076d [0,0,0,1,0,0|2,0,0]=3 1141 B12R1.125 CC(=O)NCC1CCCCC1C a21317628d068bc5e57e9a0774389ae3 [0,0,0,1,0,0|2,0,0]=3 1142 B12R1.125 CC(=O)NCC1CCCCC1O 65cd7f7d0c73c2de1dd34696d3b3510a [0,0,0,1,0,0|3,0,0]=4 1143 B12R1.125 CC(=O)NCC1CCCCN1C 1901aa4bd3855b7a0dc1ef79226d63e6 [0,0,0,1,0,0|3,0,0]=4 1144 B12R1.125 CC(=O)OCN1CCCCC1C 505c2d536cf334657f3635be67c81c9a [0,0,0,1,0,0|3,0,0]=4 1145 B12R1.125 CC(=O)OCN1CCCC[C@@H]1C 4817a7d81240cda975148479d1d24fcc [0,0,0,1,0,0|3,0,0]=4 1146 B12R1.125 CC(=O)OCN1CCCC[C@H]1C 07d6a6c824a693c904bdf4f8f4c581e7 [0,0,0,1,0,0|3,0,0]=4 1147 B12R1.125 CC(O)CCN1CCCCC1C bad134293fe1831ecbd843f9187da699 [0,0,0,1,0,0|2,0,1]=4 1148 B12R1.125 CC(O)CCN1CCCC[C@@H]1C ea2bec3cc0d59644c03de4c497e957be [0,0,0,1,0,0|2,0,1]=4 1149 B12R1.125 CC(O)CCN1CCCC[C@H]1C 2ac4efc97929cf1d83dda89ccc5389c3 [0,0,0,1,0,0|2,0,1]=4 1150 B12R1.125 CC(O)CNC1CCCCC1C 5e046f2405340c55aec81472f170f06a [0,0,0,1,0,0|2,0,1]=4 1151 B12R1.125 CC(O)CN[C@@H]1CCCC[C@@H]1C 83da5b4dd7c84fe52deb2aff8f0c53ed [0,0,0,1,0,0|2,0,1]=4 1152 B12R1.125 CC(O)CN[C@@H]1CCCC[C@H]1C c823d18dc8661bad69af53f1ccba5285 [0,0,0,1,0,0|2,0,1]=4 1153 B12R1.125 CC(O)CN[C@H]1CCCC[C@@H]1C b3bc463234f9f42ebca891a805635e14 [0,0,0,1,0,0|2,0,1]=4 1154 B12R1.125 CC(O)CN[C@H]1CCCC[C@H]1C fbed6f3c7e2a91fdcfab3b1ef44746c3 [0,0,0,1,0,0|2,0,1]=4 1155 B12R1.125 CC1CCCCC1NCC(=O)N 5cfc7e69138d37f4a4128ea6ab9f27f8 [0,0,0,1,0,0|2,0,0]=3 1156 B12R1.125 CC1CCCCC1NCC(=O)O b09a7a7f6b8cbd436b25a37fb8d89cda [0,0,0,1,0,0|1,0,0]=2 1157 B12R1.125 CC1CCCCC1NC[C@@H](C)O 5ab6c09945e6014cd8be40680fe4ddee [0,0,0,1,0,0|2,0,1]=4 1158 B12R1.125 CC1CCCCC1NC[C@H](C)O adce6b93f3425f6084d231599f861106 [0,0,0,1,0,0|2,0,1]=4 1159 B12R1.125 CC1CCCCC1NC[N+](=O)[O-] 6deaaf28ccc7596528c1f7c5995644c1 [0,0,0,1,0,0|2,0,1]=4 1160 B12R1.125 CC1CCCCC1OCC(=O)N 50abbd6e856278b74071b2363300eeb5 [0,0,0,1,0,0|2,0,0]=3 1161 B12R1.125 CC1CCCCC1OCC(=O)O abf18bab3fd3a06a5323de49c56b5de2 [0,0,0,1,0,0|1,0,0]=2 1162 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] d0bd49ff702b873d42589c8b53455c1a [0,0,0,1,0,0|2,0,1]=4 1163 B12R1.125 CC1CCCCN1CCC(=O)N 3231e6c7135dd3eab17ad6f5569cacde [0,0,0,1,0,0|2,0,0]=3 1164 B12R1.125 CC1CCCCN1CCC(=O)O f1ed9228421a1404653422ac85334fbc [0,0,0,1,0,0|1,0,0]=2 1165 B12R1.125 CC1CCCCN1CCS(=O)C 88fe409cfa4f525c0ff35a2aebc29756 [0,0,0,1,0,0|3,0,0]=4 1166 B12R1.125 CC1CCCCN1CSC(=O)N 57a58886bf2f4632e510fe8348f75687 [0,0,0,1,0,0|3,0,0]=4 1167 B12R1.125 CC1COCCC1NCC(=O)N b49df5f47c678780f2adcb62eb04da91 [0,0,0,1,0,0|3,0,0]=4 1168 B12R1.125 CC1COCCC1NCC(=O)O 4805ab86e935798217ac92508a29976a [0,0,0,1,0,0|2,0,0]=3 1169 B12R1.125 CC1COCCC1OCC(=O)N 4ba644e24e7b4f34ce06b96d04e41fb9 [0,0,0,1,0,0|3,0,0]=4 1170 B12R1.125 CC1COCCC1OCC(=O)O 2667790cac15ffe412f1ea5eb208184e [0,0,0,1,0,0|2,0,0]=3 1171 B12R1.125 CC1COCCN1CCC(=O)N a0801522aea095a7c19724c74b83d5c8 [0,0,0,1,0,0|3,0,0]=4 1172 B12R1.125 CC1COCCN1CCC(=O)O 36f599e00b074de02669735b96b9cb14 [0,0,0,1,0,0|2,0,0]=3 1173 B12R1.125 C[C@@H](O)CN[C@@H]1CCCC[C@@H]1C 79e54341626e6841f0d7902d5339567a [0,0,0,1,0,0|2,0,1]=4 1174 B12R1.125 C[C@@H](O)CN[C@H]1CCCC[C@@H]1C 742b1bce7120291189c99f9fb5a31d83 [0,0,0,1,0,0|2,0,1]=4 1175 B12R1.125 C[C@@H]1CCCCN1CCC(=O)N c5b11ab4bd1a4ced7f52b970385ea7a5 [0,0,0,1,0,0|2,0,0]=3 1176 B12R1.125 C[C@@H]1CCCCN1CCC(=O)O a33fdbbb9f1952959ad035ffb902a3f2 [0,0,0,1,0,0|1,0,0]=2 1177 B12R1.125 C[C@@H]1CCCCN1CCS(=O)C 1113bcd821d0e081568647a170b654e5 [0,0,0,1,0,0|3,0,0]=4 1178 B12R1.125 C[C@@H]1CCCCN1CSC(=O)N e3d8bf01f4899b66b870458a2d6d62e8 [0,0,0,1,0,0|3,0,0]=4 1179 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)N f0dec0d4ac1e9b7e25cd4df8e3a85502 [0,0,0,1,0,0|2,0,0]=3 1180 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)O 7632a5bf53c142e4580acf93ede82a57 [0,0,0,1,0,0|1,0,0]=2 1181 B12R1.125 C[C@@H]1CCCC[C@@H]1NC[C@@H](C)O cd1b608c1ae6f291e7af04c7510bc625 [0,0,0,1,0,0|2,0,1]=4 1182 B12R1.125 C[C@@H]1CCCC[C@@H]1NC[N+](=O)[O-] d2d7ed17e350b3b0ada94c33f1978cd3 [0,0,0,1,0,0|2,0,1]=4 1183 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)N afcb7de7fcf23b61de1279e4d2a13827 [0,0,0,1,0,0|2,0,0]=3 1184 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)O 058100008c8586337bed34eca6a04016 [0,0,0,1,0,0|1,0,0]=2 1185 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=S)N e625095601faafa6dc2addfecfbf4c47 [0,0,0,1,0,0|2,1,0]=4 1186 B12R1.125 C[C@@H]1CCCC[C@@H]1OCS(=O)O 88d4051fa9df9390b0ac3de3005dd636 [0,0,0,1,0,0|2,0,0]=3 1187 B12R1.125 C[C@@H]1CCCC[C@@H]1OC[N+](=O)[O-] afc6b70f875abfe437e6e490653d7b03 [0,0,0,1,0,0|2,0,1]=4 1188 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)N aa341aca77a767a42d961c8929486515 [0,0,0,1,0,0|2,0,0]=3 1189 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)O 5c454eb124ce5b3d92889a06237e847f [0,0,0,1,0,0|1,0,0]=2 1190 B12R1.125 C[C@@H]1CCCC[C@H]1NC[C@@H](C)O 48274bc144bc97294656e0c5a076043d [0,0,0,1,0,0|2,0,1]=4 1191 B12R1.125 C[C@@H]1CCCC[C@H]1NC[N+](=O)[O-] 75a93ecb07bdf675d777f340a0a5eb70 [0,0,0,1,0,0|2,0,1]=4 1192 B12R1.125 C[C@@H]1COCCN1CCC(=O)N 3a0ca3a764978333e8e056e583c03736 [0,0,0,1,0,0|3,0,0]=4 1193 B12R1.125 C[C@@H]1COCCN1CCC(=O)O 8c0d19259ba3f07340bf5441f1faffe0 [0,0,0,1,0,0|2,0,0]=3 1194 B12R1.125 C[C@@H]1COCC[C@@H]1NCC(=O)N 0d8f5ecaa54d5e8261e439f8b82ed6d1 [0,0,0,1,0,0|3,0,0]=4 1195 B12R1.125 C[C@@H]1COCC[C@@H]1NCC(=O)O 0ea086e8f4f34c04120aa5dd6e062143 [0,0,0,1,0,0|2,0,0]=3 1196 B12R1.125 C[C@H](O)CN[C@@H]1CCCC[C@@H]1C 2c3089a0b0936eb5f9cbd8ee93641301 [0,0,0,1,0,0|2,0,1]=4 1197 B12R1.125 C[C@H](O)CN[C@@H]1CCCC[C@H]1C f1334fc77028d787efe26b5225e5f77e [0,0,0,1,0,0|2,0,1]=4 1198 B12R1.125 C[C@H](O)CN[C@H]1CCCC[C@@H]1C f224bba2439a70c9d7bfe00a4fee490a [0,0,0,1,0,0|2,0,1]=4 1199 B12R1.125 C[C@H](O)CN[C@H]1CCCC[C@H]1C e8706331985a20e25b837f49a4f653ca [0,0,0,1,0,0|2,0,1]=4 1200 B12R1.125 C[C@H]1CCCCN1CCC(=O)N 085afbea04a93d18a06499a5cbef1bd1 [0,0,0,1,0,0|2,0,0]=3 1201 B12R1.125 C[C@H]1CCCCN1CCC(=O)O c9290f325501f9baa3b2ecc780bc54a2 [0,0,0,1,0,0|1,0,0]=2 1202 B12R1.125 C[C@H]1CCCCN1CCS(=O)C abc132bcb30a1a3fc6ee9794c9857eba [0,0,0,1,0,0|3,0,0]=4 1203 B12R1.125 C[C@H]1CCCCN1CSC(=O)N 32474473e7b4b426392cbf0898234f28 [0,0,0,1,0,0|3,0,0]=4 1204 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)N 25816abb912dbb3352fee53d5ed8f376 [0,0,0,1,0,0|2,0,0]=3 1205 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)O 40f0f18769643cee425fe491ed7a5613 [0,0,0,1,0,0|1,0,0]=2 1206 B12R1.125 C[C@H]1CCCC[C@@H]1NC[N+](=O)[O-] ce8798bb483a679ef8f64430e0186b06 [0,0,0,1,0,0|2,0,1]=4 1207 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)N 046e23297b35629ed2c307011452773b [0,0,0,1,0,0|2,0,0]=3 1208 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)O 044aed10f4c3c89ecd76d791a1612e14 [0,0,0,1,0,0|1,0,0]=2 1209 B12R1.125 C[C@H]1CCCC[C@@H]1OC[N+](=O)[O-] cb78f0195c589468bfec51c9e6e54a9f [0,0,0,1,0,0|2,0,1]=4 1210 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)N 018f82303c03a999909785f0ffa1b3ee [0,0,0,1,0,0|2,0,0]=3 1211 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)O 0ab6a34fb8a428f99e931db1915c7a5d [0,0,0,1,0,0|1,0,0]=2 1212 B12R1.125 C[C@H]1CCCC[C@H]1NC[N+](=O)[O-] 8071b95554ab2a0afcc879b5dd2edee6 [0,0,0,1,0,0|2,0,1]=4 1213 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)N d3534d09aff0842b73bbe01f2e14bec9 [0,0,0,1,0,0|2,0,0]=3 1214 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)O 4ba3c5ece2b751a10a26e800b7b556bd [0,0,0,1,0,0|1,0,0]=2 1215 B12R1.125 C[C@H]1CCCC[C@H]1OC[N+](=O)[O-] 52c69a5104c0cc5a61a71346fa84595d [0,0,0,1,0,0|2,0,1]=4 1216 B12R1.125 C[C@H]1COCCN1CCC(=O)N 9b0d7ffaad2f9bf12c6a62d683e121e4 [0,0,0,1,0,0|3,0,0]=4 1217 B12R1.125 C[C@H]1COCCN1CCC(=O)O cb9ecc52fbf6e04eba94c025427c369a [0,0,0,1,0,0|2,0,0]=3 1218 B12R1.125 C[C@H]1COCC[C@H]1NCC(=O)N b148b7e7f33efb2286c6ee709e194a83 [0,0,0,1,0,0|3,0,0]=4 1219 B12R1.125 C[C@H]1COCC[C@H]1NCC(=O)O a92b08b02ce60c853d2a24b2f419159e [0,0,0,1,0,0|2,0,0]=3 1220 B12R1.125 NC(=O)CNC1CCCCC1F 71bf5c0f994adca2d3376a7aba5edd86 [0,0,0,1,0,0|3,0,0]=4 1221 B12R1.125 NC(=O)CNC1CCCCC1O a99c2914c824cc0295fc53be9000b9a1 [0,0,0,1,0,0|3,0,0]=4 1222 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1O a443be34c6aeabf5f3f992b747d90366 [0,0,0,1,0,0|3,0,0]=4 1223 B12R1.125 NC(=O)CN[C@H]1CCCC[C@@H]1O f07702f6cb1b17640331a93308c974c2 [0,0,0,1,0,0|3,0,0]=4 1224 B12R1.125 NC(=O)CN[C@H]1CCCC[C@H]1O b29f6cf1e70a1ba78c2e866085f574bf [0,0,0,1,0,0|3,0,0]=4 1225 B12R1.125 NC(=O)COC1CCCCC1F 9e1d6389c4f6e68012ff489fb667fdb4 [0,0,0,1,0,0|3,0,0]=4 1226 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F bbf7af7cd9d3b43f7ce1e20b59215335 [0,0,0,1,0,0|3,0,0]=4 1227 B12R1.125 O=C(O)CNC1CCCCC1F 0fe76f7b862f12575645294fdaa05021 [0,0,0,1,0,0|2,0,0]=3 1228 B12R1.125 O=C(O)CNC1CCCCC1O 2cd4bfe0f72606ee80ce52d63c64ed6e [0,0,0,1,0,0|2,0,0]=3 1229 B12R1.125 O=C(O)CNC1CCOCC1O 010826ab6e564be2799a7ef5eb64d7f7 [0,0,0,1,0,0|3,0,0]=4 1230 B12R1.125 O=C(O)CN[C@@H]1CCCC[C@H]1O 69b9f83ab05871a940451e7c3815139c [0,0,0,1,0,0|2,0,0]=3 1231 B12R1.125 O=C(O)CN[C@@H]1CCOC[C@@H]1O b107f15e7e586b6423564f352090edd4 [0,0,0,1,0,0|3,0,0]=4 1232 B12R1.125 O=C(O)CN[C@@H]1CCOC[C@H]1F 9eb9da543d280ddaf12e5b7faa43faac [0,0,0,1,0,0|3,0,0]=4 1233 B12R1.125 O=C(O)CN[C@@H]1CCOC[C@H]1O e54e38c87bc5354599116746fb4e2e53 [0,0,0,1,0,0|3,0,0]=4 1234 B12R1.125 O=C(O)CN[C@@H]1COCC[C@@H]1O 3e3e27166470def09d657b011dbfc042 [0,0,0,1,0,0|3,0,0]=4 1235 B12R1.125 O=C(O)CN[C@@H]1COCC[C@H]1O d952edb182b14730d30ac22cb7fd4d5b [0,0,0,1,0,0|3,0,0]=4 1236 B12R1.125 O=C(O)CN[C@H]1CCCC[C@@H]1O 81ee166f9afa274eecd6613ec6bb178c [0,0,0,1,0,0|2,0,0]=3 1237 B12R1.125 O=C(O)CN[C@H]1CCCC[C@H]1O bf04e0698dbfddffbbecbda08fb94cd4 [0,0,0,1,0,0|2,0,0]=3 1238 B12R1.125 O=C(O)CN[C@H]1CCOC[C@@H]1F 54c3c7f4cab062818d28cfc1d0075268 [0,0,0,1,0,0|3,0,0]=4 1239 B12R1.125 O=C(O)CN[C@H]1CCOC[C@@H]1O 533d844ac04d8c65dc1cc68ed48fbb64 [0,0,0,1,0,0|3,0,0]=4 1240 B12R1.125 O=C(O)CN[C@H]1CCOC[C@H]1O 00f8224701b76e086db8e7fcf4f55448 [0,0,0,1,0,0|3,0,0]=4 1241 B12R1.125 O=C(O)CN[C@H]1COCC[C@@H]1O 10785ab28a50a8056383619ecb6294b2 [0,0,0,1,0,0|3,0,0]=4 1242 B12R1.125 O=C(O)CN[C@H]1COCC[C@H]1O 114ec4d79e1c2b1788e630566fb4935e [0,0,0,1,0,0|3,0,0]=4 1243 B12R1.125 O=C(O)COC1CCCCC1=O a26594c11ae1178bfed3dcdada85908c [0,0,0,1,0,0|2,0,1]=4 1244 B12R1.125 O=C(O)COC1CCCCC1F 7450e377d501afea5783005dc59e6f5b [0,0,0,1,0,0|2,0,0]=3 1245 B12R1.125 O=C(O)COC1CCOCC1F b919054d4cfd0d7d645a83e20a44a9a3 [0,0,0,1,0,0|3,0,0]=4 1246 B12R1.125 O=C(O)CO[C@@H]1CCCC[C@H]1F 0d39ddfede57a04949d271fa58f1c3d0 [0,0,0,1,0,0|2,0,0]=3 1247 B12R1.125 O=C(O)CO[C@@H]1CCOC[C@@H]1F a20efc8cf022f55e7795accb64920b10 [0,0,0,1,0,0|3,0,0]=4 1248 B12R1.125 O=C(O)CO[C@H]1CCOC[C@@H]1F f7885af58ad9de2448450ac14fc56fb1 [0,0,0,1,0,0|3,0,0]=4 1249 B12R1.125 O=C(O)CO[C@H]1CCOC[C@H]1F ae08f7f6f26061fa4267b7d01b7b8160 [0,0,0,1,0,0|3,0,0]=4 1250 B12R1.125 O=S(O)COC1CCCCC1F 5e8e5b4afea9c8c3b47295e2a5beb883 [0,0,0,1,0,0|3,0,0]=4 1251 B12R1.162 CC(=O)CCN1CCC1CCO 73903ad813f653af915925c4ffbb7c13 [0,0,0,1,0,0|3,0,0]=4 1252 B12R1.162 COCC1CCN1CCC(=O)C 98cd2b9f3c4c89ad4121949a93d20174 [0,0,0,1,0,0|3,0,0]=4 1253 B12R1.162 COCC1CCN1CCC(=O)N fcb8ed7f9eb3211797092fc4acb37389 [0,0,0,1,0,0|3,0,0]=4 1254 B12R1.162 COCC1CCN1CCC(=O)O 7005144f56b54fed23b75d61614f4684 [0,0,0,1,0,0|2,0,0]=3 1255 B12R1.162 COC[C@@H]1CCN1CCC(=O)C 59b1a3621c739f17e0cc41ede224b9c4 [0,0,0,1,0,0|3,0,0]=4 1256 B12R1.162 COC[C@@H]1CCN1CCC(=O)N 67f4da7af75aae9ab3f87eddf2bd66dd [0,0,0,1,0,0|3,0,0]=4 1257 B12R1.162 COC[C@@H]1CCN1CCC(=O)O ee3a4487e0082c18533c225ffddff8f5 [0,0,0,1,0,0|2,0,0]=3 1258 B12R1.162 COC[C@H]1CCN1CCC(=O)C cc2ab9521475c01d3fbfbc6f171fa6be [0,0,0,1,0,0|3,0,0]=4 1259 B12R1.162 COC[C@H]1CCN1CCC(=O)N 4eaa8861140f2357876e4d2d0f2de0a0 [0,0,0,1,0,0|3,0,0]=4 1260 B12R1.162 COC[C@H]1CCN1CCC(=O)O fa7234543163201d08fbba01c3fc3271 [0,0,0,1,0,0|2,0,0]=3 1261 B12R1.162 NC(=O)CCN1CCC1CCO ab2edb8c4e9b707f7fe2f12097909a03 [0,0,0,1,0,0|3,0,0]=4 1262 B12R1.162 O=C(O)CCN1CCC1CCO b9fa8e1df47e2deb4b6f76d3f259b48d [0,0,0,1,0,0|2,0,0]=3 1263 B12R1.324 C#CCCN1CCC1CC(=O)O 1090838644bff8807c9fced56fb87437 [0,0,0,1,0,0|1,0,2]=4 1264 B12R1.324 C/C=C/CN1CCC1CC(=O)O 442244019a444835b7e5d6d1fc5ffd13 [0,0,0,1,0,0|1,0,2]=4 1265 B12R1.324 C/C=C\CN1CCC1CC(=O)O 581061d0c01b8e6834a86be13a7a18e4 [0,0,0,1,0,0|1,0,2]=4 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CSCCN1CCNC(=O)CC1 ab4e3c36455ab3e378672ce0eafbf15d [0,0,0,1,0,0|3,0,0]=4 1496 B12R1.348 O=C1CCC(CCN1)COCF ab295a9e2d463bcba8e6ee6b7c672c37 [0,0,0,1,0,0|3,0,0]=4 1497 B12R1.348 O=C1CCCN(CC1)CCCF 95de03d7e0fb13de59b9c2387dec8c10 [0,0,0,1,0,0|3,0,0]=4 1498 B12R1.348 O=C1CCCN(CC1)CCCO 5f7d736eade38f0b7887d23934c26571 [0,0,0,1,0,0|3,0,0]=4 1499 B12R1.348 O=C1CCCN(CC1)CCCS b5c62adc1c1d08878400c26202fb0ada [0,0,0,1,0,0|3,0,0]=4 1500 B12R1.348 O=C1CCN(CCN1)CCCF bef9974fce5ff1a7eccdc93ce5e3fd7e [0,0,0,1,0,0|3,0,0]=4 1501 B12R1.348 O=C1CCN(CCN1)CCCO 974c9bad52ebc367d45fa8532f1f93a4 [0,0,0,1,0,0|3,0,0]=4 1502 B12R1.348 O=C1CCN(CCN1)CCCS 7dd5748cb73efc41517b05d8ed47db5b [0,0,0,1,0,0|3,0,0]=4 1503 B12R1.453 CC(=O)N1CC(CCC1C)CO 874b9cb19b21df74702abdb81cfa6589 [0,0,0,1,0,0|3,0,0]=4 1504 B12R1.453 CCC1CCC(N(C1)C(=O)C)C e5ed0473166bf0069006b1a9885a9786 [0,0,0,1,0,0|2,0,0]=3 1505 B12R1.453 CCN1CCN(C(C1)C(=O)O)C 4ff7fc7fdaee680f06b7a09118b02a14 [0,0,0,1,0,0|2,0,0]=3 1506 B12R1.453 CCN1CCN([C@@H](C1)C(=O)O)C 9b96719a434fa9bd0b05f65c7fc7b452 [0,0,0,1,0,0|2,0,0]=3 1507 B12R1.453 CN1CCN(CC1C(=O)O)CF b1b406c90272073448ee8abc4c33b4af [0,0,0,1,0,0|3,0,0]=4 1508 B12R1.453 CN1CCN(CC1C(=O)O)CO f17f28253e58334d7741d584ae2a4c9a [0,0,0,1,0,0|3,0,0]=4 1509 B12R1.453 CN1CCN(C[C@H]1C(=O)O)CF 44f0234096627a17d786be566f39677d [0,0,0,1,0,0|3,0,0]=4 1510 B12R1.453 CN1CCN(C[C@H]1C(=O)O)CO 40f019f1a923cd1b7f23e82f1b37525f [0,0,0,1,0,0|3,0,0]=4 1511 B12R1.504 CCCCC(CC)N1CC(C1)O 92af5441fa132e753f4e9c47d95601cc [0,0,0,1,0,0|2,0,1]=4 1512 B12R1.504 CCCCN(CC)C1CS(=O)C1 0a889d1467a90b77362d7df71c3fac19 [0,0,0,1,0,0|3,0,0]=4 1513 B12R1.576 C#CCCN1CC(C1C)C(=O)O 9f4bd3504c541ab453ea19ff57e64681 [0,0,0,1,0,0|1,0,2]=4 1514 B12R1.576 C#CCCN1C[C@H]([C@@H]1C)C(=O)O 6f41a57a0d7911ebc4408f4897166d8e [0,0,0,1,0,0|1,0,2]=4 1515 B12R1.576 C/C=C/CN1CC(C1C)C(=O)O 95c6fd45e51d6ef76912b29c4376677e [0,0,0,1,0,0|1,0,2]=4 1516 B12R1.576 C/C=C/CN1C[C@H]([C@@H]1C)C(=O)O d07e4372d3d1ed51f8c985b047fae010 [0,0,0,1,0,0|1,0,2]=4 1517 B12R1.576 C/C=C\CN1CC(C1C)C(=O)O efe85716081991a97d545a774a340f85 [0,0,0,1,0,0|1,0,2]=4 1518 B12R1.576 C/C=C\CN1C[C@H]([C@@H]1C)C(=O)O 5044ee02087981a6083022a1b556b8ab [0,0,0,1,0,0|1,0,2]=4 1519 B12R1.576 C=CCCN1CC(C1C)C(=O)O d2b6367fbf0395d1010a082008e7d1d7 [0,0,0,1,0,0|1,0,2]=4 1520 B12R1.576 C=CCCN1C[C@H]([C@@H]1C)C(=O)O cd7c13048438aa8fdc2cf5ba7e7b9de9 [0,0,0,1,0,0|1,0,2]=4 1521 B12R1.576 CC1C(CN1CCC#N)C(=O)O e1f821b117aaa7499a5eb94e407e32fb [0,0,0,1,0,0|2,0,1]=4 1522 B12R1.576 CC1C(CN1CCC=O)C(=O)O cbc3b95dc8188ce76ffb0a03d59020aa [0,0,0,1,0,0|2,0,1]=4 1523 B12R1.576 CC1C(CN1CCCF)C(=O)O dfa63afd12df4f2774efda56a544d619 [0,0,0,1,0,0|2,0,0]=3 1524 B12R1.576 CC1C(CN1CCCO)C(=O)O 606209dd565ad5712e910213a68b1fa3 [0,0,0,1,0,0|2,0,0]=3 1525 B12R1.576 CC1C(CN1CCCS)C(=O)O c5306dee4a2c48f8552da5251e10a5e0 [0,0,0,1,0,0|2,0,0]=3 1526 B12R1.576 CCCCN1CC(C1C)C(=O)O 9c4d1e82d1fcd745616e8872d2e80ba7 [0,0,0,1,0,0|1,0,0]=2 1527 B12R1.576 CCCCN1C[C@H]([C@@H]1C)C(=O)O 8e225c4d777c9dd4563557baece463b4 [0,0,0,1,0,0|1,0,0]=2 1528 B12R1.576 CCOCN1CC(C1C)C(=O)O b84eaa97dd7f5825c0f68343e952127b [0,0,0,1,0,0|2,0,0]=3 1529 B12R1.576 CCOCN1C[C@H]([C@@H]1C)C(=O)O 46f4d0ad14fac87a53bf3758cb176de8 [0,0,0,1,0,0|2,0,0]=3 1530 B12R1.576 COCCN1CC(C1C)C(=O)O 70eb9985ed9144201af4b12239b30ae7 [0,0,0,1,0,0|2,0,0]=3 1531 B12R1.576 COCCN1C[C@H]([C@@H]1C)C(=O)O 7e165b5c0e211bb57aaf0287bae97d41 [0,0,0,1,0,0|2,0,0]=3 1532 B12R1.576 CSCCN1CC(C1C)C(=O)O f596b26580363b2c46592ff623f9188d [0,0,0,1,0,0|2,0,0]=3 1533 B12R1.576 CSCCN1C[C@H]([C@@H]1C)C(=O)O a68e1264c9db45cfc2ab678b922d51c2 [0,0,0,1,0,0|2,0,0]=3 1534 B12R1.576 C[C@H]1[C@@H](CN1CCC#N)C(=O)O a77da0b3664b3ba72e6e62dbd77b53a1 [0,0,0,1,0,0|2,0,1]=4 1535 B12R1.576 C[C@H]1[C@@H](CN1CCC=O)C(=O)O 3cc80b20377cc372632b10bd92bc7133 [0,0,0,1,0,0|2,0,1]=4 1536 B12R1.576 C[C@H]1[C@@H](CN1CCCF)C(=O)O 847e131f572128349ca3165aee82ba33 [0,0,0,1,0,0|2,0,0]=3 1537 B12R1.576 C[C@H]1[C@@H](CN1CCCO)C(=O)O 39d78e8350a5a88ef0e140bf7452f2cc [0,0,0,1,0,0|2,0,0]=3 1538 B12R1.576 C[C@H]1[C@@H](CN1CCCS)C(=O)O 191e3e1f7e6a5f447e82c35dead29c8d [0,0,0,1,0,0|2,0,0]=3 1539 B12R1.607 CC[C@@H]1CN(C[C@@H]1C(=O)O)CC f2ee91f638ca2e3b62528d35a43aa18c [0,0,0,1,0,0|1,0,0]=2 1540 B12R1.607 CC[C@@H]1CN(C[C@@H]1C(=O)O)CF 1740a9ee9de65b7f3812b0a89a5f8c5a [0,0,0,1,0,0|2,0,0]=3 1541 B12R1.607 CC[C@@H]1CN(C[C@@H]1C(=O)O)CO d3764d6e53abd660b87205f4e71fcc7a [0,0,0,1,0,0|2,0,0]=3 1542 B12R1.607 CC[C@H]1CN(C[C@H]1C(=O)O)CC 36adad76c5481c4c021422f9167c81e6 [0,0,0,1,0,0|1,0,0]=2 1543 B12R1.607 CC[C@H]1CN(C[C@H]1C(=O)O)CF c2b1ac213055c03e9bafab6f5522e47e [0,0,0,1,0,0|2,0,0]=3 1544 B12R1.607 CC[C@H]1CN(C[C@H]1C(=O)O)CO 3b1533af29fbe8173891ad29e72a1c7d [0,0,0,1,0,0|2,0,0]=3 1545 B12R1.626 CCN1CCCCC(C1)C(=O)O 6308ccf5c56fa07c24d01b947e1e0a83 [0,0,0,1,0,0|1,0,0]=2 1546 B12R1.626 O=C(O)C1CCCCN(C1)CF 469dae4ceae50c053f18641cd13b1fcf [0,0,0,1,0,0|2,0,0]=3 1547 B12R1.626 O=C(O)C1CCCCN(C1)CO c2ce8c2bf4cc5fbd7654ab8953a77281 [0,0,0,1,0,0|2,0,0]=3 1548 B12R1.870 CC(=O)CCN1CCC(C1C)O 01320a4ca9f28c196cd9e25fe44a110f [0,0,0,1,0,0|3,0,0]=4 1549 B12R1.870 CC(=O)CCN1CC[C@@H]([C@@H]1C)O 3633527d1dc5d70714c7941bab11fc95 [0,0,0,1,0,0|3,0,0]=4 1550 B12R1.870 CC(=O)CCN1CC[C@H]([C@H]1C)O 09fc5af7714178a27685a1cf7dbe05e4 [0,0,0,1,0,0|3,0,0]=4 1551 B12R1.870 CC1C(CCN1CCC(=O)N)O 9e16efc06e061fd7a2153ae476ed7429 [0,0,0,1,0,0|3,0,0]=4 1552 B12R1.870 CC1C(CCN1CCC(=O)O)O 5b36473362a2287a12c5362441959eaf [0,0,0,1,0,0|2,0,0]=3 1553 B12R1.870 C[C@@H]1[C@@H](CCN1CCC(=O)N)O c31cc8e46700e1cd45a131894eebc446 [0,0,0,1,0,0|3,0,0]=4 1554 B12R1.870 C[C@@H]1[C@@H](CCN1CCC(=O)O)O cfb50da30a45500bf9a030fc03d91f3d [0,0,0,1,0,0|2,0,0]=3 1555 B12R1.870 C[C@H]1[C@H](CCN1CCC(=O)N)O b0c447aae947a87882de84980c7484d1 [0,0,0,1,0,0|3,0,0]=4 1556 B12R1.870 C[C@H]1[C@H](CCN1CCC(=O)O)O 9ced002b00e0d6c28a7463afa5d28a68 [0,0,0,1,0,0|2,0,0]=3 1557 B12R1.1343 C=C(Br)CNC1CCCCCC1 c2970cf4f6a21a920fc53ff38ecb19a0 [0,0,0,1,0,0|3,0,0]=4 1558 B12R1.1343 C=C(Br)COC1CCCCCC1 ea2c5ee12e227d65ffad070b7c5b529e [0,0,0,1,0,0|3,0,0]=4 1559 B12R1.1343 C=C(C)CCN1CCCCCC1 b5834cd3f9bced0444538dc9a5d2adff [0,0,0,1,0,0|3,0,0]=4 1560 B12R1.1343 C=C(C)CNC1CCCCCC1 f467465cd42c14c49673722f0509f4ee [0,0,0,1,0,0|3,0,0]=4 1561 B12R1.1343 C=C(C)COC1CCCCCC1 9d6338f86ff00bfafe94f43920542e26 [0,0,0,1,0,0|3,0,0]=4 1562 B12R1.1343 C=C(Cl)CNC1CCCCCC1 6fc03ee6d2e335c34a16260d34d9bf18 [0,0,0,1,0,0|3,0,0]=4 1563 B12R1.1343 C=C(Cl)COC1CCCCCC1 08a222b97fd67e99e092eb1b6fd9e2cb [0,0,0,1,0,0|3,0,0]=4 1564 B12R1.1343 C=C(F)CNC1CCCCCC1 3d01ebb88fcd5e7df3d363aa51e3a393 [0,0,0,1,0,0|3,0,0]=4 1565 B12R1.1343 C=C(F)COC1CCCCCC1 9060702c19fdc9cb9cbac83becd7d662 [0,0,0,1,0,0|3,0,0]=4 1566 B12R1.1343 C=C(I)COC1CCCCCC1 8e3afdf3b32dbde187bef870526baaf8 [0,0,0,1,0,0|3,0,0]=4 1567 B12R1.1343 CC(=O)CCN1CCCCCC1 9db15848eb5a0afe3b5199eaf4f54938 [0,0,0,1,0,0|2,0,0]=3 1568 B12R1.1343 CC(=O)CCN1CCCOCC1 f41db085ec88290b6df8d7c6893e6a71 [0,0,0,1,0,0|3,0,0]=4 1569 B12R1.1343 CC(=O)CNC1CCCCCC1 472d52fc3a3f9e34562900413429031a [0,0,0,1,0,0|2,0,0]=3 1570 B12R1.1343 CC(=O)CNC1CCCOCC1 261025515065cc7d621da93b6aee8b2f [0,0,0,1,0,0|3,0,0]=4 1571 B12R1.1343 CC(=O)COC1CCCCCC1 c5d3f177a64f6ef4de1601b127407ff7 [0,0,0,1,0,0|2,0,0]=3 1572 B12R1.1343 CC(=O)COC1CCCOCC1 726ddce28f082a8227cd35083ebb9f88 [0,0,0,1,0,0|3,0,0]=4 1573 B12R1.1343 CC(=O)NCC1CCCCCC1 6de497aff6b4d44ba8330446be88d57e [0,0,0,1,0,0|2,0,0]=3 1574 B12R1.1343 CC(=O)OCN1CCCCCC1 b7dacc34ea6d8f4612587dfa1ddfa355 [0,0,0,1,0,0|3,0,0]=4 1575 B12R1.1343 CC(O)CCN1CCCCCC1 88e9123459fa44c589502ba38c4aa8b6 [0,0,0,1,0,0|2,0,1]=4 1576 B12R1.1343 CC(O)CNC1CCCCCC1 8f9f0b4e0d70b7efda3f98247703d7b8 [0,0,0,1,0,0|2,0,1]=4 1577 B12R1.1343 CS(=O)CCN1CCCCCC1 3c2cd9ef9db675bf964f39eea6a6df89 [0,0,0,1,0,0|3,0,0]=4 1578 B12R1.1343 C[C@@H](O)CNC1CCCCCC1 ff8e7e104a44ab8afb24c266502f3528 [0,0,0,1,0,0|2,0,1]=4 1579 B12R1.1343 C[C@H](O)CNC1CCCCCC1 0d27f221717ea4c206dfb107e1177348 [0,0,0,1,0,0|2,0,1]=4 1580 B12R1.1343 NC(=O)CCN1CCCCCC1 3f7a6aa665e898b9d19410460d18b97a [0,0,0,1,0,0|2,0,0]=3 1581 B12R1.1343 NC(=O)CCN1CCCOCC1 b2e2e3fc763cfc1439a72555a706469d [0,0,0,1,0,0|3,0,0]=4 1582 B12R1.1343 NC(=O)CNC1CCCCCC1 fe4fd29118c95b23339ad0920f325f8e [0,0,0,1,0,0|2,0,0]=3 1583 B12R1.1343 NC(=O)CNC1CCCOCC1 504550267ff1e1c71a5b768677a6b9e0 [0,0,0,1,0,0|3,0,0]=4 1584 B12R1.1343 NC(=O)COC1CCCCCC1 5c709e941f7fc8de2b169946ceb65020 [0,0,0,1,0,0|2,0,0]=3 1585 B12R1.1343 NC(=O)COC1CCCOCC1 26507495fbfc670eb692146a7f7322cf [0,0,0,1,0,0|3,0,0]=4 1586 B12R1.1343 NC(=O)SCN1CCCCCC1 b19c6a989be384c3309f66f43a40bd11 [0,0,0,1,0,0|3,0,0]=4 1587 B12R1.1343 NC(=S)COC1CCCCCC1 6f480ae1aa9aacb58901dedf1e2dbc67 [0,0,0,1,0,0|2,1,0]=4 1588 B12R1.1343 O=C(O)CCN1CCCCCC1 6ed2e90f731eac4e658979eda5d73780 [0,0,0,1,0,0|1,0,0]=2 1589 B12R1.1343 O=C(O)CCN1CCCOCC1 1e521645a9e9e9d03e8724d1c5a2d916 [0,0,0,1,0,0|2,0,0]=3 1590 B12R1.1343 O=C(O)CNC1CCC=CCC1 2e06e0effe4ffe84eff3aad0c3e00ce7 [0,0,0,1,0,0|1,0,2]=4 1591 B12R1.1343 O=C(O)CNC1CCCCCC1 3682f9e28927883757889fb3d93aede3 [0,0,0,1,0,0|1,0,0]=2 1592 B12R1.1343 O=C(O)CNC1CCCOCC1 7301349f329b6a76287864c7ea1263e3 [0,0,0,1,0,0|2,0,0]=3 1593 B12R1.1343 O=C(O)COC1CCCCCC1 7e5cc9ed47a0c03f4fe7fb85c985896c [0,0,0,1,0,0|1,0,0]=2 1594 B12R1.1343 O=C(O)COC1CCCOCC1 36853b68c5534d0cedbf1cd44ea84435 [0,0,0,1,0,0|2,0,0]=3 1595 B12R1.1343 O=C(O)COC1COCCOC1 13f84a22bb6de11a969b9502ba9edaef [0,0,0,1,0,0|3,0,0]=4 1596 B12R1.1343 O=S(O)COC1CCCCCC1 52ffe6b56378a860f6698bebe15c2a2d [0,0,0,1,0,0|2,0,0]=3 1597 B12R1.1343 O=S(O)COC1CCCOCC1 e4175ea21bb19b218a53619deaf6dae3 [0,0,0,1,0,0|3,0,0]=4 1598 B12R1.1343 O=[N+]([O-])CNC1CCCCCC1 b55dda5e4dc927ad19684662e706d5fc [0,0,0,1,0,0|2,0,1]=4 1599 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 9556983a393d99fcc7a3c77ac9ae16d3 [0,0,0,1,0,0|2,0,1]=4 1600 B12R1.1544 C=C(C)CCN(CC)C1CCC1 5b0a2c03046f25354724789d8dbdd934 [0,0,0,1,0,0|3,0,0]=4 1601 B12R1.1544 CCC(NCC(=O)N)C1COC1 bd52a421c0c1b848698702eebee1476e [0,0,0,1,0,0|3,0,0]=4 1602 B12R1.1544 CCC(NCC(=O)O)C1COC1 42a4af3cea1d4c3177c0c10590687a73 [0,0,0,1,0,0|2,0,0]=3 1603 B12R1.1544 CCC(OCC(=O)N)C1COC1 740cbcdcf9b8c4ae528298ad345904a1 [0,0,0,1,0,0|3,0,0]=4 1604 B12R1.1544 CCC(OCC(=O)O)C1COC1 cb1a2fb0845df69cb55de16bee7dadde [0,0,0,1,0,0|2,0,0]=3 1605 B12R1.1544 CCN(CCC(=O)C)C1CCC1 da5720e83d832f5b805a2180c824b30c [0,0,0,1,0,0|2,0,0]=3 1606 B12R1.1544 CCN(CCC(=O)C)C1COC1 fd94d0820097b06bc8edf5614ad0af77 [0,0,0,1,0,0|3,0,0]=4 1607 B12R1.1544 CCN(CCC(=O)C)C1CSC1 d5bd12907837427ea0dca98bf6292241 [0,0,0,1,0,0|3,0,0]=4 1608 B12R1.1544 CCN(CCC(=O)N)C1CCC1 c9709d247545a9a0fe86485be26b2d87 [0,0,0,1,0,0|2,0,0]=3 1609 B12R1.1544 CCN(CCC(=O)N)C1COC1 aaf61b106b38ae7304ced48324ab5899 [0,0,0,1,0,0|3,0,0]=4 1610 B12R1.1544 CCN(CCC(=O)N)C1CSC1 c5801aee017027e74d3bfdc2a9d32500 [0,0,0,1,0,0|3,0,0]=4 1611 B12R1.1544 CCN(CCC(C)O)C1CCC1 0b4ca0007fee5e01a5340ca83155e7f3 [0,0,0,1,0,0|2,0,1]=4 1612 B12R1.1544 CCN(CCS(=O)C)C1CCC1 53a407f039918d1c516f721c4ceb37dc [0,0,0,1,0,0|3,0,0]=4 1613 B12R1.1544 CCN(COC(=O)C)C1CCC1 95d82ec708e85d37bc9674604e92d7ed [0,0,0,1,0,0|3,0,0]=4 1614 B12R1.1544 N#CC(NCC(=O)O)C1CCC1 1d05fd1fb9fce1f94bd410a367907666 [0,0,0,1,0,0|2,0,1]=4 1615 B12R1.1544 NC(=O)CN[C@H](CO)C1CCC1 05b38ef4bd323454335feacfd7a0cea8 [0,0,0,1,0,0|3,0,0]=4 1616 B12R1.1544 O=C(O)CN[C@H](CO)C1CCC1 d7b37805d43560102ff5ddcafca19aed [0,0,0,1,0,0|2,0,0]=3 1617 B12R1.1546 C=C(C)CCN(CC)CC1CC1 6b17ac6a3c98596f19b955c6d6bf298e [0,0,0,1,0,0|3,0,0]=4 1618 B12R1.1546 C=CC(CCC(=O)O)NC1CC1 bb68f7b81f856829ebb6bd903b5ad37a [0,0,0,1,0,0|1,0,2]=4 1619 B12R1.1546 C=C[C@H](CCC(=O)O)NC1CC1 83fef5a27d0de2d833cea4a5f5da095b [0,0,0,1,0,0|1,0,2]=4 1620 B12R1.1546 CC(=O)NCC(CO)CC1CC1 26373fd39bad433936be7a83312857e0 [0,0,0,1,0,0|3,0,0]=4 1621 B12R1.1546 CCN(CCC(=O)C)CC1CC1 825547daa233abf4d6d14b3d4bbf4450 [0,0,0,1,0,0|2,0,0]=3 1622 B12R1.1546 CCN(CCC(=O)N)CC1CC1 3f5bcf91965d80bf7576c8463f82d21c [0,0,0,1,0,0|2,0,0]=3 1623 B12R1.1546 CCN(CCC(=O)O)CC1CC1 1e359c0479de6b8c2f8b6b07439afe9d [0,0,0,1,0,0|1,0,0]=2 1624 B12R1.1546 CCN(CCC(C)O)CC1CC1 402decda1a7d7a4a488ca790b9168491 [0,0,0,1,0,0|2,0,1]=4 1625 B12R1.1546 CCN(CCS(=O)C)CC1CC1 18d9196394cccb36aa2a8be83da9af46 [0,0,0,1,0,0|3,0,0]=4 1626 B12R1.1546 CCN(COC(=O)C)CC1CC1 32b2538d9ea493a17c4dcbe63b7ca5c9 [0,0,0,1,0,0|3,0,0]=4 1627 B12R1.1546 CCN(CSC(=O)N)CC1CC1 7609ca5d2fea2d144c5a94322f2534bd [0,0,0,1,0,0|3,0,0]=4 1628 B12R1.1546 O=C(O)CCN(CF)CC1CC1 93d7f2bb0507b28a631cb0ddf45ebbd5 [0,0,0,1,0,0|2,0,0]=3 1629 B12R1.1546 O=C(O)CCN(CO)CC1CC1 f5f74f6078de6eb5b2272fcdf508d5d6 [0,0,0,1,0,0|2,0,0]=3 1630 B12R1.1799 COCCC1(CC1)CNC(=O)C 1b6ed3770f506591263ec8879c898f3f [0,0,0,1,0,0|3,0,0]=4 1631 B12R1.1923 O=C(O)CN1C(CC1CO)CO 14dddccf8b597416721aab62700b1b37 [0,0,0,1,0,0|3,0,0]=4 1632 B12R1.1923 O=C(O)CN1[C@@H](C[C@@H]1CO)CO ff9e8cc6ab2dc264643361e7a900a0f0 [0,0,0,1,0,0|3,0,0]=4 1633 B12R1.1923 O=C(O)CN1[C@H](C[C@@H]1CO)CO e71386a4a8bbcaff9eef0e6619e12117 [0,0,0,1,0,0|3,0,0]=4 1634 B12R1.3845 CC(=O)NCC1(CCCC1)CO 48ba0d60696e4bc78927be418a69af00 [0,0,0,1,0,0|3,0,0]=4 1635 B12R1.3845 N#CC1(CCCC1)NCC(=O)O 41521b6cfd47fc2c072c989ecf763542 [0,0,0,1,0,0|2,0,1]=4 1636 B12R1.3845 NC(=O)CNC1(CCCC1)CO 1db41a31e8edc687a04512cb470b6513 [0,0,0,1,0,0|3,0,0]=4 1637 B12R1.3845 O=C(O)CNC1(CCCC1)CO 71c382855c1439a5d29da53cbe6cade7 [0,0,0,1,0,0|2,0,0]=3 1638 B12R1.3845 O=C(O)CNC1(CCOC1)CO 010f75c995aa837341e4d0ac9aa466a2 [0,0,0,1,0,0|3,0,0]=4 1639 B12R1.3845 O=C(O)CNC1(CCSC1)CO 0ab5d0fcf2cb71441af8e170fb861206 [0,0,0,1,0,0|3,0,0]=4 1640 B10R0.87 C#CCCN(CC)CC(=O)O 7aa0051c137765e9318a0ed21e05be08 [0,0,0,0,1,0|1,0,2]=4 1641 B10R0.87 C#CCNC(CC)CC(=O)O 2ca16e9d4bbe1b7c7b03641aa453aba9 [0,0,0,0,1,0|1,0,2]=4 1642 B10R0.87 C#CCN[C@@H](CC)CC(=O)O d2c53f56c161cb3f48da3c24a74c92cb [0,0,0,0,1,0|1,0,2]=4 1643 B10R0.87 C#CCN[C@H](CC)CC(=O)O d5b1dc567c0c97e895e8b0f1f9d6b28d [0,0,0,0,1,0|1,0,2]=4 1644 B10R0.87 C#CCOC(CC)CC(=O)O 56160f7d0e28baf148386ea2bff3f219 [0,0,0,0,1,0|1,0,2]=4 1645 B10R0.87 C#CCO[C@@H](CC)CC(=O)O 049007fb13053b730621c766325216b1 [0,0,0,0,1,0|1,0,2]=4 1646 B10R0.87 C#CCO[C@H](CC)CC(=O)O 6abeb830e58d6f6513e800255c99e21a [0,0,0,0,1,0|1,0,2]=4 1647 B10R0.87 C/C=C/CN(CC)CC(=O)O c4329c19b3e5f48718802aee2ff999f9 [0,0,0,0,1,0|1,0,2]=4 1648 B10R0.87 C/C=C\CN(CC)CC(=O)O 870f1057da181d49c4b11a654bd0caab [0,0,0,0,1,0|1,0,2]=4 1649 B10R0.87 C=C(Br)CN(CC)CCCC 2182513c5f93131b82cf0d4921097415 [0,0,0,0,1,0|3,0,0]=4 1650 B10R0.87 C=C(C)CN(CC)CCCC be3ac865b26cc14c20da284a7d42b02d [0,0,0,0,1,0|3,0,0]=4 1651 B10R0.87 C=C(Cl)CN(CC)CCCC c3bc3ff7099b373d715d48ceaf896e07 [0,0,0,0,1,0|3,0,0]=4 1652 B10R0.87 C=CCCN(CC)CC(=O)O 01385a300b3b1a953e10c9638da0ce59 [0,0,0,0,1,0|1,0,2]=4 1653 B10R0.87 C=CCNC(CC)CC(=O)O e1c3439e2f5e9f49d69cf00a11d18ac4 [0,0,0,0,1,0|1,0,2]=4 1654 B10R0.87 C=CCN[C@@H](CC)CC(=O)O c22a877ac04bbcdd36d03df5c4866a7a [0,0,0,0,1,0|1,0,2]=4 1655 B10R0.87 C=CCN[C@H](CC)CC(=O)O 5c9c4aeb81635ede22aa72ba8668ef7b [0,0,0,0,1,0|1,0,2]=4 1656 B10R0.87 C=CCOC(CC)CC(=O)O acc9a1b45440d3f9682b75071c1f3d59 [0,0,0,0,1,0|1,0,2]=4 1657 B10R0.87 C=CCO[C@@H](CC)CC(=O)O ec6651d8aa7735fce25eb96b781a2683 [0,0,0,0,1,0|1,0,2]=4 1658 B10R0.87 C=CCO[C@H](CC)CC(=O)O dbb8aa525c9f61fad7f4dd6a316bbda7 [0,0,0,0,1,0|1,0,2]=4 1659 B10R0.87 CCC(CC(=O)O)NCC#N ce86eb2431a6947178fc2d7d2cf539f0 [0,0,0,0,1,0|2,0,1]=4 1660 B10R0.87 CCC(CC(=O)O)NCC=O 1119fed1125771acf22634e75746e6a7 [0,0,0,0,1,0|2,0,1]=4 1661 B10R0.87 CCC(CC(=O)O)NCCF 0b5b1c89851f75fd25c93f972de2435a [0,0,0,0,1,0|2,0,0]=3 1662 B10R0.87 CCC(CC(=O)O)NCCO 8f751856a12c42161d4e63a65c8a5869 [0,0,0,0,1,0|2,0,0]=3 1663 B10R0.87 CCC(CC(=O)O)NCCS 1b249a5077f6ebe9ac0ea960631b2e24 [0,0,0,0,1,0|2,0,0]=3 1664 B10R0.87 CCC(CC(=O)O)NCOC 7f99314a7913a68a0df5f101473bc9ae [0,0,0,0,1,0|2,0,0]=3 1665 B10R0.87 CCC(CC(=O)O)NCSC 0d6c553baa466b699f00ae3894cf0028 [0,0,0,0,1,0|2,0,0]=3 1666 B10R0.87 CCC(CC(=O)O)OCC#N 41d485f525ceb8c3781998855cfff467 [0,0,0,0,1,0|2,0,1]=4 1667 B10R0.87 CCC(CC(=O)O)OCC=O f36bb01d568d013a9c2db2f6b2745e36 [0,0,0,0,1,0|2,0,1]=4 1668 B10R0.87 CCC(CC(=O)O)OCCF d45381930459207d6a03f00ef7265dfd [0,0,0,0,1,0|2,0,0]=3 1669 B10R0.87 CCC(CC(=O)O)OCCS 783d38f48c45132c244912bc9a9d3a34 [0,0,0,0,1,0|2,0,0]=3 1670 B10R0.87 CCC(CC(=O)O)OCOC 2ce7473130ffecf65d3a21da4c5756b5 [0,0,0,0,1,0|2,0,0]=3 1671 B10R0.87 CCC(CC(=O)O)OCSC 6d6e41fdced907bf17ba84a1a41bdb63 [0,0,0,0,1,0|2,0,0]=3 1672 B10R0.87 CCCCC(CO)NC(=O)C 68902bbed5107db3b1d23a1d6c7c5465 [0,0,0,0,1,0|3,0,0]=4 1673 B10R0.87 CCCCN(CC)CC(=O)N fdabdc091933181a8b0b755e7ad2ecee [0,0,0,0,1,0|2,0,0]=3 1674 B10R0.87 CCCCN(CC)CC(=O)O 772add9f0e887e86d0cbf3269f3f6ddb [0,0,0,0,1,0|1,0,0]=2 1675 B10R0.87 CCCCN(CC)CC(C)O d59d74bd4eb847cff42f438eaebc720f [0,0,0,0,1,0|2,0,1]=4 1676 B10R0.87 CCCCN(CC)C[C@@H](C)O ec7c7774fd3f386cdd82b58ca1c77068 [0,0,0,0,1,0|2,0,1]=4 1677 B10R0.87 CCCCN(CC)C[C@H](C)O 7ebd5866d2a895dde5e244ece616bbe8 [0,0,0,0,1,0|2,0,1]=4 1678 B10R0.87 CCCCN(CC)C[N+](=O)[O-] f37465e59d21cf6aa649ce2e3edc0e87 [0,0,0,0,1,0|2,0,1]=4 1679 B10R0.87 CCCCN(CF)CC(=O)O 3a604dedfa347ab87a0ae65dfb0ce884 [0,0,0,0,1,0|2,0,0]=3 1680 B10R0.87 CCCCN(CO)CC(=O)O b11715691ebd7751950d8a4d2511de52 [0,0,0,0,1,0|2,0,0]=3 1681 B10R0.87 CCCC[C@@H](CO)NC(=O)C 7b16a3c9ba202ed7d0ef89f7138c1e17 [0,0,0,0,1,0|3,0,0]=4 1682 B10R0.87 CCCC[C@H](CO)NC(=O)C c990e71bf827f4a94486963099a00e2c [0,0,0,0,1,0|3,0,0]=4 1683 B10R0.87 CCCNC(CC)CC(=O)O b2b438470e8613c4cb1b71f20eb9f370 [0,0,0,0,1,0|1,0,0]=2 1684 B10R0.87 CCCNC(CO)CC(=O)O f9b1c679832234f1a78c7e91497f237e [0,0,0,0,1,0|2,0,0]=3 1685 B10R0.87 CCCN[C@@H](CC)CC(=O)O 2a8a45d34c1dda4044ad9c2e8398ec46 [0,0,0,0,1,0|1,0,0]=2 1686 B10R0.87 CCCN[C@@H](CO)CC(=O)O ab4bb5b0444c72e8fed52de4b7018867 [0,0,0,0,1,0|2,0,0]=3 1687 B10R0.87 CCCN[C@H](CC)CC(=O)O 190232932dc7952509c4d4a7c70c1d89 [0,0,0,0,1,0|1,0,0]=2 1688 B10R0.87 CCCN[C@H](CO)CC(=O)O 6ffb6d9cba6c9d2e404dfe2673d7749a [0,0,0,0,1,0|2,0,0]=3 1689 B10R0.87 CCCOC(CC)CC(=O)O c4d8b7398bb7277176d1defff4ae6f9a [0,0,0,0,1,0|1,0,0]=2 1690 B10R0.87 CCCO[C@@H](CC)CC(=O)O f7681333e7d1842bf262675afad73c51 [0,0,0,0,1,0|1,0,0]=2 1691 B10R0.87 CCCO[C@H](CC)CC(=O)O 5546955c5c22062d12cbbffd167d46a3 [0,0,0,0,1,0|1,0,0]=2 1692 B10R0.87 CCN(CCC#N)CC(=O)O 7b5b4d6f8cd9ce00e98b0ebee92f241c [0,0,0,0,1,0|2,0,1]=4 1693 B10R0.87 CCN(CCC=O)CC(=O)O 039a88e7d3ebcb3f55576f7f8814ea1e [0,0,0,0,1,0|2,0,1]=4 1694 B10R0.87 CCN(CCCF)CC(=O)O f66e9c2cb7a9122e3642ae1e2264345e [0,0,0,0,1,0|2,0,0]=3 1695 B10R0.87 CCN(CCCO)CC(=O)N 7db1e2741cde8ab3bd8088810441f510 [0,0,0,0,1,0|3,0,0]=4 1696 B10R0.87 CCN(CCCO)CC(=O)O 3f9623b8d080d5ee498c68e6b8c52cec [0,0,0,0,1,0|2,0,0]=3 1697 B10R0.87 CCN(CCCS)CC(=O)O eaa5de9a8dce0326bfba7740cf4daf76 [0,0,0,0,1,0|2,0,0]=3 1698 B10R0.87 CCN(CCOC)CC(=O)N 19d52d7b4c2c2ecd9ffd0c77d8a84996 [0,0,0,0,1,0|3,0,0]=4 1699 B10R0.87 CCN(CCOC)CC(=O)O 9eeac29fc7a7e4820f7a83b2d38d3929 [0,0,0,0,1,0|2,0,0]=3 1700 B10R0.87 CCN(CCSC)CC(=O)O 053216b5d33da60c4c48b6a77d21e166 [0,0,0,0,1,0|2,0,0]=3 1701 B10R0.87 CCOCN(CC)CC(=O)O 6c2e0e16780aba0afbd004a1862a467e [0,0,0,0,1,0|2,0,0]=3 1702 B10R0.87 CCOC[C@H](CC)NC(=O)C 6510f1a91dd342106f2007677142fe5f [0,0,0,0,1,0|3,0,0]=4 1703 B10R0.87 CC[C@@H](CC(=O)O)NCC#N b45900893fb8a20c07e0c31cb743262a [0,0,0,0,1,0|2,0,1]=4 1704 B10R0.87 CC[C@@H](CC(=O)O)NCC=O 39d0e80f7682a083cac44eeb4c4b9225 [0,0,0,0,1,0|2,0,1]=4 1705 B10R0.87 CC[C@@H](CC(=O)O)NCCF d72cbb93d77cf4218c1287e8feb9bd0e [0,0,0,0,1,0|2,0,0]=3 1706 B10R0.87 CC[C@@H](CC(=O)O)NCCO 58eeb41bf16cfb72ca64fec1774b57ce [0,0,0,0,1,0|2,0,0]=3 1707 B10R0.87 CC[C@@H](CC(=O)O)NCCS 2c3d14d935eb36d9b7adc12333a55928 [0,0,0,0,1,0|2,0,0]=3 1708 B10R0.87 CC[C@@H](CC(=O)O)NCOC cfbb860cff29ff474560f1bcd029468c [0,0,0,0,1,0|2,0,0]=3 1709 B10R0.87 CC[C@@H](CC(=O)O)NCSC 53fd27f73ff597f31e9300cf8363a37c [0,0,0,0,1,0|2,0,0]=3 1710 B10R0.87 CC[C@@H](CC(=O)O)OCC#N b3c3601377420ca2ccee331cd055eef9 [0,0,0,0,1,0|2,0,1]=4 1711 B10R0.87 CC[C@@H](CC(=O)O)OCC=O e378b2a5baf074dd3de26fde71ee19dc [0,0,0,0,1,0|2,0,1]=4 1712 B10R0.87 CC[C@@H](CC(=O)O)OCCF 637fee9080cf844cfadecbf773de6480 [0,0,0,0,1,0|2,0,0]=3 1713 B10R0.87 CC[C@@H](CC(=O)O)OCCS 3639da2de9999b91dc19ae64986a8eba [0,0,0,0,1,0|2,0,0]=3 1714 B10R0.87 CC[C@@H](CC(=O)O)OCOC e8d194bdecf1387897d7caab2fd63358 [0,0,0,0,1,0|2,0,0]=3 1715 B10R0.87 CC[C@@H](CC(=O)O)OCSC 9127b0ee256d067282ce468a865726b3 [0,0,0,0,1,0|2,0,0]=3 1716 B10R0.87 CC[C@H](CC(=O)O)NCC#N 57b4a844ad64c8af8a02d30a76b60199 [0,0,0,0,1,0|2,0,1]=4 1717 B10R0.87 CC[C@H](CC(=O)O)NCC=O 3e767a136d43bfe4bebcd556cb4a62b3 [0,0,0,0,1,0|2,0,1]=4 1718 B10R0.87 CC[C@H](CC(=O)O)NCCF 5d37af046147061b7a362e14803f3f20 [0,0,0,0,1,0|2,0,0]=3 1719 B10R0.87 CC[C@H](CC(=O)O)NCCO 08a4ef09af3b022b241b1c76835f2aa5 [0,0,0,0,1,0|2,0,0]=3 1720 B10R0.87 CC[C@H](CC(=O)O)NCCS c693c131a3b476cf7bcfa85adf989a12 [0,0,0,0,1,0|2,0,0]=3 1721 B10R0.87 CC[C@H](CC(=O)O)NCOC 5f5f747bd05624e6d0b40de53db92b31 [0,0,0,0,1,0|2,0,0]=3 1722 B10R0.87 CC[C@H](CC(=O)O)NCSC b5f92e4b79e79bf51e3c2a2c96d83e8c [0,0,0,0,1,0|2,0,0]=3 1723 B10R0.87 CC[C@H](CC(=O)O)OCC#N fb70cff3bf1ed1010ffb5c51fd2628ce [0,0,0,0,1,0|2,0,1]=4 1724 B10R0.87 CC[C@H](CC(=O)O)OCC=O e755357ee65df90551a7b9923a8ce79a [0,0,0,0,1,0|2,0,1]=4 1725 B10R0.87 CC[C@H](CC(=O)O)OCCF 5b016b82ab24335ad0d5b9c288faabb6 [0,0,0,0,1,0|2,0,0]=3 1726 B10R0.87 CC[C@H](CC(=O)O)OCCS c15707a82ba1bbb5a3f5348555d35cc0 [0,0,0,0,1,0|2,0,0]=3 1727 B10R0.87 CC[C@H](CC(=O)O)OCOC f647c064e215735aa6b20037d12e48f6 [0,0,0,0,1,0|2,0,0]=3 1728 B10R0.87 CC[C@H](CC(=O)O)OCSC 8c29154371d7018588912b3031d30a8a [0,0,0,0,1,0|2,0,0]=3 1729 B10R0.87 COCCN(CF)CC(=O)O ad9b00ec4455a548be6b6486150cbca0 [0,0,0,0,1,0|3,0,0]=4 1730 B10R0.87 COCCN(CO)CC(=O)O ed9ce5bd01ca646ca1482cefcdb25e5a [0,0,0,0,1,0|3,0,0]=4 1731 B10R0.87 COCNC(CO)CC(=O)O 7ff66227eef70edbebc8f814345cb734 [0,0,0,0,1,0|3,0,0]=4 1732 B10R0.87 COCN[C@@H](CO)CC(=O)O 1c8258001ca6d2d410360e69c3dd6d06 [0,0,0,0,1,0|3,0,0]=4 1733 B10R0.87 COCN[C@H](CO)CC(=O)O 32eb3cba37e1212713a2c83a7cf00e9b [0,0,0,0,1,0|3,0,0]=4 1734 B10R0.87 CSCNC(CO)CC(=O)O 7d55f18ac66a1611c52e62860f5e6daf [0,0,0,0,1,0|3,0,0]=4 1735 B10R0.87 CSCN[C@@H](CO)CC(=O)O 7d4cad93ce7ea91105c0517bef5c0373 [0,0,0,0,1,0|3,0,0]=4 1736 B10R0.87 CSCN[C@H](CO)CC(=O)O 0b27db4427e62a69aa8346fccbebbd8d [0,0,0,0,1,0|3,0,0]=4 1737 B10R0.87 O=C(O)CC(CO)NCCF ef9ce5809183dbd22effb6e6dc3e7ae0 [0,0,0,0,1,0|3,0,0]=4 1738 B10R0.87 O=C(O)CC(CO)NCCO 9b2d505961ebdb8aa9355ae03b3e8606 [0,0,0,0,1,0|3,0,0]=4 1739 B10R0.87 O=C(O)CC(CO)NCCS dde732daa1c3d18351769facc30ac98d [0,0,0,0,1,0|3,0,0]=4 1740 B10R0.87 O=C(O)C[C@@H](CO)NCCF 136b45af994e77e1a3655ddf8f37d03f [0,0,0,0,1,0|3,0,0]=4 1741 B10R0.87 O=C(O)C[C@@H](CO)NCCO 0ad837350b5aee327bb54d7dcf232925 [0,0,0,0,1,0|3,0,0]=4 1742 B10R0.87 O=C(O)C[C@@H](CO)NCCS 4dbde110eb33d882649b0bb0a5682b5a [0,0,0,0,1,0|3,0,0]=4 1743 B10R0.87 O=C(O)C[C@H](CO)NCCF c4d68b57e8686babeceb851241bf7eee [0,0,0,0,1,0|3,0,0]=4 1744 B10R0.87 O=C(O)C[C@H](CO)NCCO a83603b6b8c6bda263c9768eab0d195f [0,0,0,0,1,0|3,0,0]=4 1745 B10R0.87 O=C(O)C[C@H](CO)NCCS e7c8d58f0e67ce6cbb8c45be9203e8f9 [0,0,0,0,1,0|3,0,0]=4 1746 B12R0.254 C#CC(CCCC)OCCC(=O)C ccad6690297ac24e3fd4c2df8280e10b [0,0,0,0,0,1|1,0,2]=4 1747 B12R0.254 C#CC(CCCC)OCCC(=O)N 163464fc4beef833d14755313549acc5 [0,0,0,0,0,1|1,0,2]=4 1748 B12R0.254 C#CC(CCCC)OCCC(=O)O e80214d70754e22d32f0cdc5121b4057 [0,0,0,0,0,1|0,0,2]=3 1749 B12R0.254 C=C(Br)CCOC(CC)CCCC d9fcc4597548f5d82a65a4a9173e59af [0,0,0,0,0,1|2,0,0]=3 1750 B12R0.254 C=C(Br)CNCC(CC)CCCC 24f6b6e63e88561eb37fc7b68d6970be [0,0,0,0,0,1|2,0,0]=3 1751 B12R0.254 C=C(Br)CNC[C@H](CC)CCCC 1b7d729295910d6f023d8c63bc2ef61a [0,0,0,0,0,1|2,0,0]=3 1752 B12R0.254 C=C(Br)COCC(CC)CCCC 1d91eaeed717f174fe6e2db682355729 [0,0,0,0,0,1|2,0,0]=3 1753 B12R0.254 C=C(Br)COC[C@H](CC)CCCC 73a5e05c84f2e1fa678fd25a99f46527 [0,0,0,0,0,1|2,0,0]=3 1754 B12R0.254 C=C(C)CCCN(CC)CCCC cc44d355fb25241e7820d4705a032f20 [0,0,0,0,0,1|3,0,0]=4 1755 B12R0.254 C=C(C)CCNC(CC)CCCC f91d9c7335e461b31bf6dc4f77c66db1 [0,0,0,0,0,1|2,0,0]=3 1756 B12R0.254 C=C(C)CCNC(CO)CCCC ff8633cc8554768c27d7b91495636dab [0,0,0,0,0,1|3,0,0]=4 1757 B12R0.254 C=C(C)CCN[C@@H](CO)CCCC 77fbf78b5e2afcdb833261895e3f50e3 [0,0,0,0,0,1|3,0,0]=4 1758 B12R0.254 C=C(C)CCN[C@H](CO)CCCC 976a11ed77c11578c154137f5eb4d185 [0,0,0,0,0,1|3,0,0]=4 1759 B12R0.254 C=C(C)CCOC(CC)CCCC 6e9ca7ae1a130993f3eed4550d01ac56 [0,0,0,0,0,1|2,0,0]=3 1760 B12R0.254 C=C(C)CNCC(CC)CCCC 2b49ef579330cacd1668a0ac412b1107 [0,0,0,0,0,1|2,0,0]=3 1761 B12R0.254 C=C(C)CNC[C@H](CC)CCCC e147f0cee1f70bf3fc0c5fdcbe35d1a3 [0,0,0,0,0,1|2,0,0]=3 1762 B12R0.254 C=C(C)COCC(CC)CCCC d04dd92fe39d4f9de42328af48b30b65 [0,0,0,0,0,1|2,0,0]=3 1763 B12R0.254 C=C(C)COC[C@H](CC)CCCC 51340cc4719fb2ccef1d006d9d4ca017 [0,0,0,0,0,1|2,0,0]=3 1764 B12R0.254 C=C(Cl)CNCC(CC)CCCC ed2ce0d712647243faf64cfb5cb27b4b [0,0,0,0,0,1|2,0,0]=3 1765 B12R0.254 C=C(Cl)COCC(CC)CCCC 587123348dde53ac2eeaf3c47f8d3ff6 [0,0,0,0,0,1|2,0,0]=3 1766 B12R0.254 C=C(Cl)COC[C@H](CC)CCCC 384ff80b324a2abe81ab420883a2d4df [0,0,0,0,0,1|2,0,0]=3 1767 B12R0.254 C=C(F)COCC(CC)CCCC 28a1028bf94a7a1624d0fbc9f746f11c [0,0,0,0,0,1|2,0,0]=3 1768 B12R0.254 C=C(F)COC[C@H](CC)CCCC 23b2faae1b8744c85d60f040d83c6790 [0,0,0,0,0,1|2,0,0]=3 1769 B12R0.254 C=C(I)COCC(CC)CCCC 8b8d2aa820b580505b6a9506629fd7cf [0,0,0,0,0,1|2,0,0]=3 1770 B12R0.254 C=C(I)COC[C@H](CC)CCCC ef72d18c873ea6dd2354f33a959a0a8f [0,0,0,0,0,1|2,0,0]=3 1771 B12R0.254 C=CC(CCCC)OCCC(=O)C 8a1eb7ba08f92385e39c1e30aa227817 [0,0,0,0,0,1|1,0,2]=4 1772 B12R0.254 C=CC(CCCC)OCCC(=O)N 028a22317c8be2a736b36246cbb082f8 [0,0,0,0,0,1|1,0,2]=4 1773 B12R0.254 C=CC(CCCC)OCCC(=O)O d999ff5cb05a934825b30c020cb5ea06 [0,0,0,0,0,1|0,0,2]=3 1774 B12R0.254 CC#CCC(CC)OCCC(=O)C 013cda84bb28d9cf75d6d894d36b6be2 [0,0,0,0,0,1|1,0,2]=4 1775 B12R0.254 CC#CCC(CC)OCCC(=O)N f385c5d1dd31c421042de67a3dd43616 [0,0,0,0,0,1|1,0,2]=4 1776 B12R0.254 CC#CCC(CC)OCCC(=O)O 895442abaf7fd05c7349292127118051 [0,0,0,0,0,1|0,0,2]=3 1777 B12R0.254 CC#CCC(CO)NCCC(=O)O a0d67218613835bede8dfed1f67f4c77 [0,0,0,0,0,1|1,0,2]=4 1778 B12R0.254 CC(=O)CCNC(CO)CCCO 7c070a392bbd4e4dd454f07eae1ff22e [0,0,0,0,0,1|3,0,0]=4 1779 B12R0.254 CCC/C=C(\CC)/COCC(=O)N eb795fa93813ddc62de87d2c9f7fce0e [0,0,0,0,0,1|1,0,2]=4 1780 B12R0.254 CCC/C=C(\CC)/COCC(=O)O add3aba0c772e226acf0edbb19276fea [0,0,0,0,0,1|0,0,2]=3 1781 B12R0.254 CCCCC(CC)CCOC(C)C 2a9cb82ca6fcbf68f48835629089264f [0,0,0,0,0,1|2,0,1]=4 1782 B12R0.254 CCCCC(CC)CNCC(=O)C 77931d7e2f91a92fd1002bc527836271 [0,0,0,0,0,1|1,0,0]=2 1783 B12R0.254 CCCCC(CC)CNCC(=O)N f3da7cbfe054bc92f791d6ec5741c7bc [0,0,0,0,0,1|1,0,0]=2 1784 B12R0.254 CCCCC(CC)CNCC(=O)O 61b75c4d7f4d8a6b626be57f606edc9e [0,0,0,0,0,1|0,0,0]=1 1785 B12R0.254 CCCCC(CC)CNCC(C)C 958d269c720a271b98cca9078ca003e6 [0,0,0,0,0,1|2,0,1]=4 1786 B12R0.254 CCCCC(CC)CNCC(C)O 802112c5701e6e63113119a5478d6c97 [0,0,0,0,0,1|1,0,1]=3 1787 B12R0.254 CCCCC(CC)CNCC(F)F edacefb8f6c1d9af4c7730b277c44b4b [0,0,0,0,0,1|2,0,1]=4 1788 B12R0.254 CCCCC(CC)CNCN(C)C f44a0b61a3f7c0ebdaa7969d5b240b4c [0,0,0,0,0,1|3,0,0]=4 1789 B12R0.254 CCCCC(CC)CNC[C@@H](C)O ed186619245d2c9eeb480ca938c74bca [0,0,0,0,0,1|1,0,1]=3 1790 B12R0.254 CCCCC(CC)CNC[C@H](C)O 13f73f7ba5c822289edb6707c0bebd25 [0,0,0,0,0,1|1,0,1]=3 1791 B12R0.254 CCCCC(CC)CNC[N+](=O)[O-] 7338d30c2ad9d72acd5931fdc966a43c [0,0,0,0,0,1|1,0,1]=3 1792 B12R0.254 CCCCC(CC)COCC(=O)C 5c8a050bdac409bb29e43570e7cbf395 [0,0,0,0,0,1|1,0,0]=2 1793 B12R0.254 CCCCC(CC)COCC(=O)N 2c9cc2aaf2208ad141d70abfd36a665c [0,0,0,0,0,1|1,0,0]=2 1794 B12R0.254 CCCCC(CC)COCC(=O)O 379d4ce3a44fb1fbd0eedceed5059488 [0,0,0,0,0,1|0,0,0]=1 1795 B12R0.254 CCCCC(CC)COCC(=S)N 14bee8a143050bd75a47703a2cda730c [0,0,0,0,0,1|1,1,0]=3 1796 B12R0.254 CCCCC(CC)COCC(C)C aec53028c6b933f078d0a6cc4e086fb1 [0,0,0,0,0,1|2,0,1]=4 1797 B12R0.254 CCCCC(CC)COCC(C)F 2ee4d2a64ab19d01a4afb3e56580377c [0,0,0,0,0,1|2,0,1]=4 1798 B12R0.254 CCCCC(CC)COCC(C)S f7452e2a2c5aaf402fc6b55abc8c1ec0 [0,0,0,0,0,1|1,1,1]=4 1799 B12R0.254 CCCCC(CC)COCC(F)F 26018c7fcd858c3aabc58a95885a96ab [0,0,0,0,0,1|2,0,1]=4 1800 B12R0.254 CCCCC(CC)COCN(C)C 6dd90d8923691209276f5d2d0c6509f9 [0,0,0,0,0,1|3,0,0]=4 1801 B12R0.254 CCCCC(CC)COCS(=O)O 561d7255d9c3d8a58242bfe1731c2311 [0,0,0,0,0,1|1,0,0]=2 1802 B12R0.254 CCCCC(CC)COC[C@@H](C)F fe41f1e26837e4f1ddb20d9f0c6c249a [0,0,0,0,0,1|2,0,1]=4 1803 B12R0.254 CCCCC(CC)COC[C@H](C)F b7eee37161ec31fd2e7009bdc4971366 [0,0,0,0,0,1|2,0,1]=4 1804 B12R0.254 CCCCC(CC)COC[N+](=O)[O-] 5b041e9038e51c77f3dd106ca57839e7 [0,0,0,0,0,1|1,0,1]=3 1805 B12R0.254 CCCCC(CC)NCC=C(C)C 6600f759bb2fb334b4464c668587cdb1 [0,0,0,0,0,1|2,0,1]=4 1806 B12R0.254 CCCCC(CC)NCCC(=O)N b39590618332c9179894856337db1640 [0,0,0,0,0,1|1,0,0]=2 1807 B12R0.254 CCCCC(CC)NCCC(=O)O 8c3b883384e45d99540903517047fe91 [0,0,0,0,0,1|0,0,0]=1 1808 B12R0.254 CCCCC(CC)NCCC(=S)N 2bfde05941322dd6bca07e8f050877c5 [0,0,0,0,0,1|1,1,0]=3 1809 B12R0.254 CCCCC(CC)NCCC(C)C 2f0779ac29f45d66200393cf5ca2e406 [0,0,0,0,0,1|2,0,1]=4 1810 B12R0.254 CCCCC(CC)NCCC(C)O 9be8eee5fb82be50caad1f660f1d9b93 [0,0,0,0,0,1|1,0,1]=3 1811 B12R0.254 CCCCC(CC)NCCC(F)F d1c9304b324f52290b5ff566f074ea57 [0,0,0,0,0,1|2,0,1]=4 1812 B12R0.254 CCCCC(CC)NCCN(C)C 813aa2efd93ecaa75712506dbf44e557 [0,0,0,0,0,1|3,0,0]=4 1813 B12R0.254 CCCCC(CC)NCCS(=O)C 3589298b1189a40225a55591df333441 [0,0,0,0,0,1|2,0,0]=3 1814 B12R0.254 CCCCC(CC)NCCS(=O)O 46f76c965c8754fee67817a57e1fd236 [0,0,0,0,0,1|1,0,0]=2 1815 B12R0.254 CCCCC(CC)NCC[C@@H](C)O 84c80b858c167a4e6e1344e449614416 [0,0,0,0,0,1|1,0,1]=3 1816 B12R0.254 CCCCC(CC)NCC[C@H](C)O 3367719a6e10b0fc8a39134e79cd184f [0,0,0,0,0,1|1,0,1]=3 1817 B12R0.254 CCCCC(CC)OC/C=C(/C)\Cl 2d6b37901ac4bd15f8bf206ebf729844 [0,0,0,0,0,1|2,0,1]=4 1818 B12R0.254 CCCCC(CC)OC/C=C(/C)\I da9d5deb6e74fdc6fafc058300ac8508 [0,0,0,0,0,1|2,0,1]=4 1819 B12R0.254 CCCCC(CC)OC/C=C(\C)/Cl fea3b2c9632a2880a4519a8db7d10d92 [0,0,0,0,0,1|2,0,1]=4 1820 B12R0.254 CCCCC(CC)OCC=C(C)C 851e39eb0ca712069981aee0e6dbe79a [0,0,0,0,0,1|2,0,1]=4 1821 B12R0.254 CCCCC(CC)OCC=C(C)Cl d38b5fdaf33880543357494fe06a0513 [0,0,0,0,0,1|2,0,1]=4 1822 B12R0.254 CCCCC(CC)OCC=C(C)I 4abaae73802941573023fa51e1bf5925 [0,0,0,0,0,1|2,0,1]=4 1823 B12R0.254 CCCCC(CC)OCC=C(Cl)Cl 443f335aa8818442d6709fc38739c27d [0,0,0,0,0,1|2,0,1]=4 1824 B12R0.254 CCCCC(CC)OCCC(=O)C 64da83c62bc4799cd1518749ff3f048e [0,0,0,0,0,1|1,0,0]=2 1825 B12R0.254 CCCCC(CC)OCCC(=O)N cd5e0658e4c09cca28abb8a6a76e480b [0,0,0,0,0,1|1,0,0]=2 1826 B12R0.254 CCCCC(CC)OCCC(=O)O e5e9110ed95d0310c5e86d71c06d735e [0,0,0,0,0,1|0,0,0]=1 1827 B12R0.254 CCCCC(CC)OCCC(C)C 320fe0605d7770bdcc547b11a47d1377 [0,0,0,0,0,1|2,0,1]=4 1828 B12R0.254 CCCCC(CC)OCCC(F)F e582818f2f37acacc8c7cf2f218a7059 [0,0,0,0,0,1|2,0,1]=4 1829 B12R0.254 CCCCC(CC)OCCN(C)C 053c5cb1e3b5bdac80b528c7f1fcaa0a [0,0,0,0,0,1|3,0,0]=4 1830 B12R0.254 CCCCC(CC)OCCS(=O)C 2757e6cfd7516bdcb83a9f080efd8ef5 [0,0,0,0,0,1|2,0,0]=3 1831 B12R0.254 CCCCC(CC)OCC[N+](=O)[O-] 9e8a8660aa84a2b462b60ea40136c485 [0,0,0,0,0,1|1,0,1]=3 1832 B12R0.254 CCCCC(CC)OCNC(=O)C 14d6f416c707397072eb54a813082c76 [0,0,0,0,0,1|2,0,0]=3 1833 B12R0.254 CCCCC(CC)OCNC(=O)N 8d2ccdb00a397155e81e453b01d7cc49 [0,0,0,0,0,1|2,0,0]=3 1834 B12R0.254 CCCCC(CC)OCOC(=O)C 0aa3a9795948fd0b5a9afc6bd2ae09d8 [0,0,0,0,0,1|2,0,0]=3 1835 B12R0.254 CCCCC(CC)OCSC(=O)N f481329836f3f7c10439f81deb794a01 [0,0,0,0,0,1|2,0,0]=3 1836 B12R0.254 CCCCC(CO)NCCC(=O)C a040eab4956baeeadffa13e71b7e7808 [0,0,0,0,0,1|2,0,0]=3 1837 B12R0.254 CCCCC(CO)NCCC(=O)N c6abfa6d60ed584fbe98f3b656c7c66e [0,0,0,0,0,1|2,0,0]=3 1838 B12R0.254 CCCCC(CO)NCCC(=O)O 109ba4bae89ef7e31252cb99c6540a22 [0,0,0,0,0,1|1,0,0]=2 1839 B12R0.254 CCCCC(CO)NCCC(=S)N d5f8896ac63019576518fd0c8cd682b7 [0,0,0,0,0,1|2,1,0]=4 1840 B12R0.254 CCCCC(CO)NCCC(C)O a224aefc656cefea4b744e2a7211785a [0,0,0,0,0,1|2,0,1]=4 1841 B12R0.254 CCCCC(CO)NCCS(=O)C 0f57f2ca1ac808b2099043700794d64d [0,0,0,0,0,1|3,0,0]=4 1842 B12R0.254 CCCCC(CO)NCCS(=O)O 502c22d6385529fa58f8cd09a46f786a [0,0,0,0,0,1|2,0,0]=3 1843 B12R0.254 CCCCC(CO)NCC[C@@H](C)O 20d90101642d898a2a067363cbf817e3 [0,0,0,0,0,1|2,0,1]=4 1844 B12R0.254 CCCCC(CO)NCC[C@H](C)O 9669b4040427078bbc21aa6ebbb7533b [0,0,0,0,0,1|2,0,1]=4 1845 B12R0.254 CCCCC(CO)NCOC(=O)C e14fdbcd3e9b7e07a35e575834d8d62d [0,0,0,0,0,1|3,0,0]=4 1846 B12R0.254 CCCCC(CO)NCSC(=O)N 1b6a55b7ef751e8039382704fac3ee3b [0,0,0,0,0,1|3,0,0]=4 1847 B12R0.254 CCCCN(CC)C/C=C/C(=O)O 30f8cb49264b49bd319d808abc1fbfc2 [0,0,0,0,0,1|1,0,1]=3 1848 B12R0.254 CCCCN(CC)CC=CC(=O)O ff16e4ac63daac7255e4ca0885a12e13 [0,0,0,0,0,1|1,0,1]=3 1849 B12R0.254 CCCCN(CC)CCC=C(C)C 3a73ed7891e730b1a934c3c277770a62 [0,0,0,0,0,1|3,0,0]=4 1850 B12R0.254 CCCCN(CC)CCC=C(F)F 28b77ca45492e0fffe861207780843e2 [0,0,0,0,0,1|3,0,0]=4 1851 B12R0.254 CCCCN(CC)CCCC(=O)C 15121840a00f317ada14d4f6706c8811 [0,0,0,0,0,1|2,0,0]=3 1852 B12R0.254 CCCCN(CC)CCCC(=O)N 9337fcfc0909bce4dad6249dce6bf2a5 [0,0,0,0,0,1|2,0,0]=3 1853 B12R0.254 CCCCN(CC)CCCC(C)O 2a7ca6a2659804dc70ad36aaa228783c [0,0,0,0,0,1|2,0,1]=4 1854 B12R0.254 CCCCN(CC)CCNC(=O)C 8e62e60d689039034c491fe6b6aa23ac [0,0,0,0,0,1|2,0,0]=3 1855 B12R0.254 CCCCN(CC)CCNC(=O)N aad7eb28641fad2497d6c55227a75996 [0,0,0,0,0,1|2,0,0]=3 1856 B12R0.254 CCCCN(CC)CCOC(=O)C 7dfa91514b98a21cb64993267c7353b1 [0,0,0,0,0,1|2,0,0]=3 1857 B12R0.254 CCCCN(CC)CCSC(=O)C 6fcdeca7a146b399768f2a0d20b5da5d [0,0,0,0,0,1|2,0,0]=3 1858 B12R0.254 CCCC[C@@H](CC)CNCC(=O)C 64ef9ac2f6e742f26eb56391b9285c4c [0,0,0,0,0,1|1,0,0]=2 1859 B12R0.254 CCCC[C@@H](CC)CNCC(=O)N 7b6db72550ef1e796f9b14eccf5e44b5 [0,0,0,0,0,1|1,0,0]=2 1860 B12R0.254 CCCC[C@@H](CC)CNCC(=O)O c45b6fc12875a047a94008a66c39492f [0,0,0,0,0,1|0,0,0]=1 1861 B12R0.254 CCCC[C@@H](CC)CNCC(C)C 1b6cbf5416be584982b3dca807705793 [0,0,0,0,0,1|2,0,1]=4 1862 B12R0.254 CCCC[C@@H](CC)CNCC(C)O ff2fd8a38d326219d09159851d341809 [0,0,0,0,0,1|1,0,1]=3 1863 B12R0.254 CCCC[C@@H](CC)CNCC(F)F 0325a8298c12e1b8f72cdc8767ad2b01 [0,0,0,0,0,1|2,0,1]=4 1864 B12R0.254 CCCC[C@@H](CC)CNC[C@@H](C)O 6e7093dc5c6b19760ed6719186f8a7d5 [0,0,0,0,0,1|1,0,1]=3 1865 B12R0.254 CCCC[C@@H](CC)CNC[C@H](C)O d6e487698c3f6d96f440b10d041fa08c [0,0,0,0,0,1|1,0,1]=3 1866 B12R0.254 CCCC[C@@H](CC)COCC(=O)C 6ba9f4d5cf17cbe2f563e78260aacdc9 [0,0,0,0,0,1|1,0,0]=2 1867 B12R0.254 CCCC[C@@H](CC)COCC(=O)N a240dc7fbd257aac740ad454eb181abc [0,0,0,0,0,1|1,0,0]=2 1868 B12R0.254 CCCC[C@@H](CC)COCC(=O)O dbab47c6b014bc8e91be99aee6461acc [0,0,0,0,0,1|0,0,0]=1 1869 B12R0.254 CCCC[C@@H](CC)COCC(=S)N 73aa7ab44dd56dbeff2cd17770c41072 [0,0,0,0,0,1|1,1,0]=3 1870 B12R0.254 CCCC[C@@H](CC)COCC(C)C 283eb31bb6a0f10098597dffa2cc4e5b [0,0,0,0,0,1|2,0,1]=4 1871 B12R0.254 CCCC[C@@H](CC)COCC(C)F b4e6afd9bada2458d0e7bd18a04817c2 [0,0,0,0,0,1|2,0,1]=4 1872 B12R0.254 CCCC[C@@H](CC)COCC(C)S 1f78973340fab7ae2eba5f4bac6181c9 [0,0,0,0,0,1|1,1,1]=4 1873 B12R0.254 CCCC[C@@H](CC)COCC(F)F 2874e58d229f2670c4cd27aea20fc80e [0,0,0,0,0,1|2,0,1]=4 1874 B12R0.254 CCCC[C@@H](CC)COCS(=O)O 78bd26f13c3e79bc9ee42d2f79937cc7 [0,0,0,0,0,1|1,0,0]=2 1875 B12R0.254 CCCC[C@@H](CC)COC[C@@H](C)F 58e3bae04e07a6c06de0982d6a32e101 [0,0,0,0,0,1|2,0,1]=4 1876 B12R0.254 CCCC[C@@H](CC)COC[C@H](C)F 46639210857484b8df418e70259ff873 [0,0,0,0,0,1|2,0,1]=4 1877 B12R0.254 CCCC[C@@H](CO)NCCC(=O)C 697838d97143684fbf8b071925d2e44a [0,0,0,0,0,1|2,0,0]=3 1878 B12R0.254 CCCC[C@@H](CO)NCCC(=O)N a291fac527c35f677ab688fff03d14f4 [0,0,0,0,0,1|2,0,0]=3 1879 B12R0.254 CCCC[C@@H](CO)NCCC(=O)O c2b9083e2939581ac47ee88852f4c1cd [0,0,0,0,0,1|1,0,0]=2 1880 B12R0.254 CCCC[C@@H](CO)NCCC(C)O 9b0bc3d2bc8000df65acc6a7c27ec11d [0,0,0,0,0,1|2,0,1]=4 1881 B12R0.254 CCCC[C@@H](CO)NCCS(=O)C 2a136a33cbcd5f705f7e4d104e02dd86 [0,0,0,0,0,1|3,0,0]=4 1882 B12R0.254 CCCC[C@@H](CO)NCOC(=O)C 64c08e541d1b80dd4be25f276782fd5d [0,0,0,0,0,1|3,0,0]=4 1883 B12R0.254 CCCC[C@@H](CO)NCSC(=O)N 5a88254003e0953478e9757bb585a849 [0,0,0,0,0,1|3,0,0]=4 1884 B12R0.254 CCCC[C@H](CO)NCCC(=O)C 90a3e11d189d340141ec6318bd47be2f [0,0,0,0,0,1|2,0,0]=3 1885 B12R0.254 CCCC[C@H](CO)NCCC(=O)N 8683847665b3f955ed518ff6489c8cb1 [0,0,0,0,0,1|2,0,0]=3 1886 B12R0.254 CCCC[C@H](CO)NCCC(=O)O 4e389aa9526ce84167b86af0f973bd79 [0,0,0,0,0,1|1,0,0]=2 1887 B12R0.254 CCCC[C@H](CO)NCCC(C)O dc9735a7b4abb0ac9cb089d8b46e31fb [0,0,0,0,0,1|2,0,1]=4 1888 B12R0.254 CCCC[C@H](CO)NCCS(=O)C 87ecdce78331fa9ff17bf5a0d5493c96 [0,0,0,0,0,1|3,0,0]=4 1889 B12R0.254 CCCC[C@H](CO)NCOC(=O)C 6005f9fad52893cf184ab28f14dea9cf [0,0,0,0,0,1|3,0,0]=4 1890 B12R0.254 CCCC[C@H](CO)NCSC(=O)N 0fbb01da8d384412c00a149091f9d68e [0,0,0,0,0,1|3,0,0]=4 1891 B12R0.254 CCN(C/C=C/C(=O)O)CCCO daa8ac2d0a897ac5514c4bb957d93a64 [0,0,0,0,0,1|2,0,1]=4 1892 B12R0.254 CCN(C/C=C/C(=O)O)CCOC 6b3543b2ebc91bd6fcdc82c47d462914 [0,0,0,0,0,1|2,0,1]=4 1893 B12R0.254 CCN(CC=CC(=O)O)CCCO e0c111a6e4f6f1ed93983057a338b69d [0,0,0,0,0,1|2,0,1]=4 1894 B12R0.254 CCN(CC=CC(=O)O)CCOC 69dba3c550f8340e84ea32c48dfd9a71 [0,0,0,0,0,1|2,0,1]=4 1895 B12R0.254 CCN(CCCC(=O)C)CCOC 3cf3babd277a99857699d0d47d9169ca [0,0,0,0,0,1|3,0,0]=4 1896 B12R0.254 CCN(CCCC(=O)N)CCOC 2c45ca306cb6b0cdbbd00904440d3bdb [0,0,0,0,0,1|3,0,0]=4 1897 B12R0.254 CCN(CCCO)CCCC(=O)C a5c050e309e713db437c203547d9ea39 [0,0,0,0,0,1|3,0,0]=4 1898 B12R0.254 CCN(CCCO)CCCC(=O)N e3904235cc50c4e953583f31a7011b80 [0,0,0,0,0,1|3,0,0]=4 1899 B12R0.254 CCN(CCCO)CCNC(=O)C 137c96b7b7c4161ef430e0208942a4c3 [0,0,0,0,0,1|3,0,0]=4 1900 B12R0.254 CCN(CCCO)CCNC(=O)N 0aae84aad8d24e7cbb365ec659b898fb [0,0,0,0,0,1|3,0,0]=4 1901 B12R0.254 CCN(CCCO)CCOC(=O)C c68dd9463c19e2838bfd8ac929ce66c5 [0,0,0,0,0,1|3,0,0]=4 1902 B12R0.254 CCN(CCCO)CCSC(=O)C 0ba4aec4e829ed37f6e5c7e136a96c7e [0,0,0,0,0,1|3,0,0]=4 1903 B12R0.254 CCN(CCNC(=O)C)CCOC 12a18e038e22bcd03784360de6926f0e [0,0,0,0,0,1|3,0,0]=4 1904 B12R0.254 CCN(CCNC(=O)N)CCOC d7bc48f6d058d78aae751a60c0433079 [0,0,0,0,0,1|3,0,0]=4 1905 B12R0.254 CCN(CCOC)CCOC(=O)C d0e358cffe9cfbade4623fed7a9c6e78 [0,0,0,0,0,1|3,0,0]=4 1906 B12R0.254 CCN(CCOC)CCSC(=O)C 19988ce585515ab8e0c13bcde88ff7db [0,0,0,0,0,1|3,0,0]=4 1907 B12R0.254 CSCCC(CO)CNCC(=O)N 7ec75ad0f4399ca560d005668f97348e [0,0,0,0,0,1|3,0,0]=4 1908 B12R0.254 CSCCC(CO)CNCC(=O)O 41d071554ca94ac81a06589016ad54da [0,0,0,0,0,1|2,0,0]=3 1909 B12R0.254 CSCCC(CO)NCCC(=O)C 25401fcd1290088606fd54db61d0650b [0,0,0,0,0,1|3,0,0]=4 1910 B12R0.254 CSCCC(CO)NCCC(=O)N dc5a89e4e2b4b07335700ae60e985e5c [0,0,0,0,0,1|3,0,0]=4 1911 B12R0.254 CSCCC(CO)NCCC(=O)O dd02d3ef52421f27b34c47139c8361be [0,0,0,0,0,1|2,0,0]=3 1912 B12R0.254 CSCC[C@@H](CO)NCCC(=O)C 83368646e34f117a7f99ffbf7a9f3526 [0,0,0,0,0,1|3,0,0]=4 1913 B12R0.254 CSCC[C@@H](CO)NCCC(=O)N 556db19d98b23bd764ecab0bbaae6046 [0,0,0,0,0,1|3,0,0]=4 1914 B12R0.254 CSCC[C@@H](CO)NCCC(=O)O f8581d2dfc382c5a4031928bab924e24 [0,0,0,0,0,1|2,0,0]=3 1915 B12R0.254 CSCC[C@H](CO)NCCC(=O)C acb507180f858e63b73ba9f3521c1cb3 [0,0,0,0,0,1|3,0,0]=4 1916 B12R0.254 CSCC[C@H](CO)NCCC(=O)N 87d0efe0e94045dda54fdf5624f7d51f [0,0,0,0,0,1|3,0,0]=4 1917 B12R0.254 CSCC[C@H](CO)NCCC(=O)O 96bde6977040a658458e73f5c74b48ef [0,0,0,0,0,1|2,0,0]=3 1918 B12R0.254 NC(=O)CCNC(CO)CCCO 7634779681600c12b9ff687d547ca3da [0,0,0,0,0,1|3,0,0]=4 1919 B12R0.254 O=C(O)CCNC(CO)CCCO 71883ab1267db8a23fd86e2c2b6fa77c [0,0,0,0,0,1|2,0,0]=3 1920 B9R0.18 C=CCCC(C)NCCC 240e8313686bab03145fdf8e05a079de [2,0,0,0,0,0|2,0,0]=4 1921 B9R0.18 C=CCCC(C)OCCC 7912a5c88e116a41f225a0605d7ee9b9 [2,0,0,0,0,0|2,0,0]=4 1922 B9R0.18 C=CCCN(C)CCCC 982bda51df0f37fb4c6a42577f4401e6 [2,0,0,0,0,0|2,0,0]=4 1923 B9R0.18 C=CCC[C@@H](C)OCCC 99173135eb582288011948d677068cc8 [2,0,0,0,0,0|2,0,0]=4 1924 B9R0.18 C=CCNC(C)CCCC b7e84b71e08b90f5001bff3ed3e79daa [2,0,0,0,0,0|2,0,0]=4 1925 B9R0.18 C=CCN[C@H](C)CCCC 717efbfcef1985e4262e18519df5cea0 [2,0,0,0,0,0|2,0,0]=4 1926 B9R0.18 C=CCOC(C)CCCC e05948ecaeff8c28551c390203faa54a [2,0,0,0,0,0|2,0,0]=4 1927 B9R0.18 C=CCO[C@@H](C)CCCC 785b4fd0e7d2a1185c3f37e0ca8f48b9 [2,0,0,0,0,0|2,0,0]=4 1928 B9R0.18 C=CCO[C@H](C)CCCC 8279474ab6fe084178c62f137ffa8b53 [2,0,0,0,0,0|2,0,0]=4 1929 B9R0.18 CC(CCCO)NCC=O c7f19c3ade85d6e05312f1a58a72a0b0 [2,0,0,0,0,0|2,0,0]=4 1930 B9R0.18 CCCCC(C)NCC=O 17b13b22e791a7a0520f1bfd34f0e857 [2,0,0,0,0,0|1,0,0]=3 1931 B9R0.18 CCCCC(C)NCCO ff47d9e2568b188c4923b45bf7987a40 [2,0,0,0,0,0|1,0,1]=4 1932 B9R0.18 CCCCC(C)OCC=O eda04f1a17d81cf08f2f32366dad6c90 [2,0,0,0,0,0|1,0,0]=3 1933 B9R0.18 CCCCC(O)CNC=O eec15ce6abd05c06c56bfdaadbde9a0b [2,0,0,0,0,0|2,0,0]=4 1934 B9R0.18 CCCCN(C)C/C=C\O b670acc8005386db650855df49e5a609 [2,0,0,0,0,0|1,0,1]=4 1935 B9R0.18 CCCCN(C)CCC=O bf49116c9af507ce2cb2ede0349f47b2 [2,0,0,0,0,0|1,0,0]=3 1936 B9R0.18 CCCCN(C)CCCO 57af9b9f3fe16b52eec79be093a09ab2 [2,0,0,0,0,0|1,0,1]=4 1937 B9R0.18 CCCC[C@@H](C)NCC=O 04b56f2fdbafe2353e082e13229eedf1 [2,0,0,0,0,0|1,0,0]=3 1938 B9R0.18 CCCC[C@@H](C)NCCO 91f3234cc374ccfce736aaecc9b5736e [2,0,0,0,0,0|1,0,1]=4 1939 B9R0.18 CCCC[C@@H](C)OCC=O 993915524a0a10ada5c5e7e66a19b57f [2,0,0,0,0,0|1,0,0]=3 1940 B9R0.18 CCCC[C@H](C)OCC=O 64aea713a6e78b2a7c1dcccee369110a [2,0,0,0,0,0|1,0,0]=3 1941 B9R0.18 CCCNC(C)CCCO e35a72c6f447647387525857cf3e6cf3 [2,0,0,0,0,0|1,0,1]=4 1942 B9R0.18 CCCN[C@H](C)CCCO 558264158e702c6f14ae3c30e7ce5099 [2,0,0,0,0,0|1,0,1]=4 1943 B9R0.18 CCNC[C@H](C)CCCO 59acf7998511cccd05de89c8199a3646 [2,0,0,0,0,0|1,0,1]=4 1944 B9R0.18 CCOCC(C)OCC=O 87171cd27869753cf4db9a5f37f279d2 [2,0,0,0,0,0|2,0,0]=4 1945 B9R0.18 CN(CCC=O)CCCO 08286588e072c3b728da4dbcd3937da1 [2,0,0,0,0,0|2,0,0]=4 1946 B9R0.18 COCCC(C)OCC=O d178477da94c6d9f9961f612dbf593df [2,0,0,0,0,0|2,0,0]=4 1947 B9R0.18 COCCN(C)CCC=O fa9ef9375e774603351f15368a01f26c [2,0,0,0,0,0|2,0,0]=4 1948 B9R0.18 CSCCC(C)OCC=O 1beb2ad0681904a21447ab254d6c6257 [2,0,0,0,0,0|2,0,0]=4 1949 B9R0.18 CSCCN(C)CCC=O aef8759b9ae729fbfdfb40b183dbf66e [2,0,0,0,0,0|2,0,0]=4 1950 B9R0.18 C[C@H](CCCO)CNC=O 55135246a811de86327512e6eb7c8cd9 [2,0,0,0,0,0|2,0,0]=4 1951 B9R0.18 C[C@H](CCCO)NCC=O 60c5b1603c2bcf27c36775727a810895 [2,0,0,0,0,0|2,0,0]=4 1952 B9R0.40 C=CCCN(CC)CCC 135cbbf584a4acb04a30928aa6f0793f [2,0,0,0,0,0|2,0,0]=4 1953 B9R0.40 C=CCN(CC)CCCC d814498b4a5b7479f8f036e4ba7f7ad9 [2,0,0,0,0,0|1,0,1]=4 1954 B9R0.40 C=CCOC(CC)CCC 35f0a04ab87e49bd2bcd6ae2c3b1ec56 [2,0,0,0,0,0|2,0,0]=4 1955 B9R0.40 C=CCO[C@H](CC)CCC 909f94d03c44d262a2f498f7d1d72eed [2,0,0,0,0,0|2,0,0]=4 1956 B9R0.40 CCC(COC)NCC=O e7b4f894bc10f7187da5c3430b0102bb [2,0,0,0,0,0|2,0,0]=4 1957 B9R0.40 CCC(COC)OCC=O 5f30dabcbb13d23cab3066f7f0beccd8 [2,0,0,0,0,0|2,0,0]=4 1958 B9R0.40 CCC(CSC)OCC=O dcd673d2850b184b2fec7448886c52e5 [2,0,0,0,0,0|2,0,0]=4 1959 B9R0.40 CCCC(CC)COCC 0aa20e7bc483c4759592262d2d2171e2 [2,0,0,0,0,0|1,0,1]=4 1960 B9R0.40 CCCC(CC)NCCO 3f48a5a5f0b34047f11d245a806782e0 [2,0,0,0,0,0|1,0,1]=4 1961 B9R0.40 CCCC(CC)OCC=O b1477f7e8ef32b3e56f6ae9fc57610d7 [2,0,0,0,0,0|1,0,0]=3 1962 B9R0.40 CCCC(CO)NCC=O 89e751bb9ac90d3a1640a2254e1971af [2,0,0,0,0,0|2,0,0]=4 1963 B9R0.40 CCCCC(CC)OCC f8505015964e9c49dca586a5dee77bc8 [2,0,0,0,0,0|1,0,1]=4 1964 B9R0.40 CCCCC(CC)OCF 0e987e381d58de15ad70b5901cf1f3fd [2,0,0,0,0,0|2,0,0]=4 1965 B9R0.40 CCCCC(CO)NC=O f57b27fd178a9c21476ed36190092a88 [2,0,0,0,0,0|2,0,0]=4 1966 B9R0.40 CCCCC(CO)NCO 229a0a7a2a802a044cca92e4cc8777c7 [2,0,0,0,0,0|2,0,0]=4 1967 B9R0.40 CCCCN(CC)CC=O d871d9f188cada87ccdeb3afe3a7e109 [2,0,0,0,0,0|1,0,0]=3 1968 B9R0.40 CCCCN(CC)CCC bbfe6bddeb2b2437e55039b1b4ca5bd6 [2,0,0,0,0,0|1,0,1]=4 1969 B9R0.40 CCCCN(CC)CCCl bf7d9fac866bca6bf7e09e4f62d1a004 [2,0,0,0,0,0|2,0,0]=4 1970 B9R0.40 CCCCN(CC)CCF 17c2c574722937339478c00d30199052 [2,0,0,0,0,0|2,0,0]=4 1971 B9R0.40 CCCCN(CC)CCO b77ed274cc7cb6a7deb030e4df630fcc [2,0,0,0,0,0|1,0,0]=3 1972 B9R0.40 CCCCN(CC)CCS bbd1fe2d9982191ab97b5b0112cd5274 [2,0,0,0,0,0|1,1,0]=4 1973 B9R0.40 CCCCN(CF)CCO 6f6071fe43f98b42f41344513471b775 [2,0,0,0,0,0|2,0,0]=4 1974 B9R0.40 CCCCN(CO)CCO ce9976606eaf7e4049d53d85781956a4 [2,0,0,0,0,0|2,0,0]=4 1975 B9R0.40 CCCC[C@@H](CO)NC=O 42c575253100261406d9404d8f784f62 [2,0,0,0,0,0|2,0,0]=4 1976 B9R0.40 CCCC[C@@H](CO)NCO bb343d0984f40245e3f35bccba475bac [2,0,0,0,0,0|2,0,0]=4 1977 B9R0.40 CCCC[C@H](CO)NC=O 8e288fee5f34d414b25597e2bfe4aa89 [2,0,0,0,0,0|2,0,0]=4 1978 B9R0.40 CCCC[C@H](CO)NCO 9ae511810226711cd09ac78fe1b5bec1 [2,0,0,0,0,0|2,0,0]=4 1979 B9R0.40 CCCN(CC)C/C=C\O 5a772783e02322259c79bcc18f08d919 [2,0,0,0,0,0|1,0,1]=4 1980 B9R0.40 CCCN(CC)CCC=O 816556e3aed6bee14e9f9f8f47f1baa0 [2,0,0,0,0,0|1,0,0]=3 1981 B9R0.40 CCCN(CC)CCCO c326ed8204cffaa3b7251cea8880b2f3 [2,0,0,0,0,0|1,0,1]=4 1982 B9R0.40 CCCNC(CC)CCC 0ce2a51fd039fcaf9a76eb2b4964f8f6 [2,0,0,0,0,0|1,0,1]=4 1983 B9R0.40 CCCNC(CO)CCO e48b8087112d0dbde807c3e80de577b5 [2,0,0,0,0,0|2,0,0]=4 1984 B9R0.40 CCCN[C@@H](CO)CCO d25c41960081028e6638790befa80bdf [2,0,0,0,0,0|2,0,0]=4 1985 B9R0.40 CCCOC(CC)CCC 8238dc4250141f806af223944c1e9f3d [2,0,0,0,0,0|1,0,1]=4 1986 B9R0.40 CCCO[C@@H](CO)CCO 271971862229ec111c96b74c13aa73b9 [2,0,0,0,0,0|2,0,0]=4 1987 B9R0.40 CCCO[C@H](CC)CCC 769c614be648c7265a5a510d19215798 [2,0,0,0,0,0|1,0,1]=4 1988 B9R0.40 CCC[C@@H](CC)OCC=O 8cc017731c32203b67c1e17324dc9226 [2,0,0,0,0,0|1,0,0]=3 1989 B9R0.40 CCC[C@@H](CO)NCC=O adb24e8d9817ecf63d7c4805211c03e6 [2,0,0,0,0,0|2,0,0]=4 1990 B9R0.40 CCC[C@H](CO)NCC=O 9b5e59b6bd3500d8093e651190162811 [2,0,0,0,0,0|2,0,0]=4 1991 B9R0.40 CCN(CC=O)CCCO 6a838cf9ff99de6f86e8529ebe9e73b7 [2,0,0,0,0,0|2,0,0]=4 1992 B9R0.40 CCN(CC=O)CCOC d6f2cdbeafba6ea1e94d819f6bcc6527 [2,0,0,0,0,0|2,0,0]=4 1993 B9R0.40 CCN(CCCl)CCC=O dc13492d992a22f8b33ec7bf32311952 [2,0,0,0,0,0|2,0,0]=4 1994 B9R0.40 CCN(CCO)CCC=O c36804eda0f0b47d13a8dc83570a4b5f [2,0,0,0,0,0|2,0,0]=4 1995 B9R0.40 CCN(CCO)CCCF 32583de04d3ad6696171e7a01804bc38 [2,0,0,0,0,0|2,0,0]=4 1996 B9R0.40 CCN(CCO)CCCO b3f0606d2404df40dc77381383a64f13 [2,0,0,0,0,0|2,0,0]=4 1997 B9R0.40 CCN(CCO)CCCS e1ca6732a0f19974a914be75c3f6926a [2,0,0,0,0,0|2,0,0]=4 1998 B9R0.40 CCN(CCO)CCOC dd2fc77fc66b373060b861e031a86a37 [2,0,0,0,0,0|2,0,0]=4 1999 B9R0.40 CCN(CCO)CCSC 6f9de5598629530f6826f03f6bdfbc09 [2,0,0,0,0,0|2,0,0]=4 2000 B9R0.40 CCOCN(CC)CCO 74d59bed158a25e4769da0552257bc78 [2,0,0,0,0,0|2,0,0]=4 2001 B9R0.43 CCC(CC)CNC(=O)C 1549f79204b015c6741805722d63f02b [2,0,0,0,0,0|2,0,0]=4 2002 B9R0.43 CCC(CC)NCC(=O)C 70a7a34fd5b9f13420599575ca59b309 [2,0,0,0,0,0|2,0,0]=4 2003 B9R0.43 CCC(CC)NCC(=O)N ba1ba5684139cdae5f828e99c03588fa [2,0,0,0,0,0|2,0,0]=4 2004 B9R0.43 CCC(CC)NCC(=O)O 995cd6a8146da731115d097551736d02 [2,0,0,0,0,0|1,0,0]=3 2005 B9R0.43 CCC(CC)OCC(=O)C e585e39db31cc4648e1fa74bf026183f [2,0,0,0,0,0|2,0,0]=4 2006 B9R0.43 CCC(CC)OCC(=O)N 1159d3ee802ce0ed1d8ecfa7ae9f3a38 [2,0,0,0,0,0|2,0,0]=4 2007 B9R0.43 CCC(CC)OCC(=O)O 1b3befb0c3d9e3800b8f83ed1ff32f58 [2,0,0,0,0,0|1,0,0]=3 2008 B9R0.43 CCC(CC)OCS(=O)O 9088dc5b9dfa1c1f32aa7ffed72cecc6 [2,0,0,0,0,0|2,0,0]=4 2009 B9R0.43 CCC(CO)NCC(=O)O 586189b2332a32af4757091d48666a8a [2,0,0,0,0,0|2,0,0]=4 2010 B9R0.43 CCN(CC)CCC(=O)N a8bdb500d800dfb76989944bf928047c [2,0,0,0,0,0|2,0,0]=4 2011 B9R0.43 CC[C@@H](CO)NCC(=O)O ca5de122a401b27aebff33f963871c41 [2,0,0,0,0,0|2,0,0]=4 2012 B9R0.43 CC[C@H](CO)NCC(=O)O e8d663c48b3ee956fc556faee09136e0 [2,0,0,0,0,0|2,0,0]=4 2013 B9R0.48 CC(CCC(=O)O)NCF a92d39df8a126f0852271a9b340958b4 [2,0,0,0,0,0|2,0,0]=4 2014 B9R0.48 CC(CCC(=O)O)OCF 8a850024bcf506861cc56e2f4b203d76 [2,0,0,0,0,0|2,0,0]=4 2015 B9R0.48 CC(CCO)NCC(=O)O facbaef0695b9d4fe56ffc8af771a40f [2,0,0,0,0,0|2,0,0]=4 2016 B9R0.48 CCCC(C)NCC(=O)C 6b8217a6e509e4e9ac7eac79852a2211 [2,0,0,0,0,0|2,0,0]=4 2017 B9R0.48 CCCC(C)NCC(=O)N c7599e8ca497fbac7099aebf1f0f8aac [2,0,0,0,0,0|2,0,0]=4 2018 B9R0.48 CCCC(C)NCC(=O)O cc1e9c4996e6fef62cc1269e902e2107 [2,0,0,0,0,0|1,0,0]=3 2019 B9R0.48 CCCC(C)OCC(=O)C 1cb96080ad3b5f1e9dd4a42dcc86b0a0 [2,0,0,0,0,0|2,0,0]=4 2020 B9R0.48 CCCC(C)OCC(=O)N 7e6999709f4494a1ecc876c304501582 [2,0,0,0,0,0|2,0,0]=4 2021 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [2,0,0,0,0,0|1,0,0]=3 2022 B9R0.48 CCCC(C)OCS(=O)O 5fd3c2b57cde05de71deaa29073d7460 [2,0,0,0,0,0|2,0,0]=4 2023 B9R0.48 CCCN(C)CCC(=O)C b29483cd50605788c7eef5f63dcb49c2 [2,0,0,0,0,0|2,0,0]=4 2024 B9R0.48 CCCN(C)CCC(=O)N df69e561042543f03748d6be46a7cd9c [2,0,0,0,0,0|2,0,0]=4 2025 B9R0.48 CCCN(C)CCC(=O)O c326725f005578bca676b9f1f6f13638 [2,0,0,0,0,0|1,0,0]=3 2026 B9R0.48 CCC[C@@H](C)OCC(=O)N c33601ccdbc26af4c94de37ccd60dbb7 [2,0,0,0,0,0|2,0,0]=4 2027 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [2,0,0,0,0,0|1,0,0]=3 2028 B9R0.48 CCC[C@H](C)NCC(=O)N 2f193e4895d45290d1e4c025c650c03f [2,0,0,0,0,0|2,0,0]=4 2029 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [2,0,0,0,0,0|1,0,0]=3 2030 B9R0.48 CCC[C@H](C)OCC(=O)N 838feb7f628304bf0a6aa0910dbfc330 [2,0,0,0,0,0|2,0,0]=4 2031 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [2,0,0,0,0,0|1,0,0]=3 2032 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [2,0,0,0,0,0|1,0,0]=3 2033 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [2,0,0,0,0,0|1,0,0]=3 2034 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [2,0,0,0,0,0|1,0,0]=3 2035 B9R0.48 CN(CCF)CCC(=O)O 98b30d2a6b798aa5402f2613938994ad [2,0,0,0,0,0|2,0,0]=4 2036 B9R0.48 CN(CCO)CCC(=O)O dff5f325047c0f022e242f8ab09a0166 [2,0,0,0,0,0|2,0,0]=4 2037 B9R0.48 CN(CCS)CCC(=O)O 834e8dabd4decc6fedd4ae2dee1a1dfb [2,0,0,0,0,0|2,0,0]=4 2038 B9R0.48 COCC(C)NCC(=O)O e01666d87959623998976d0fafabe1b4 [2,0,0,0,0,0|2,0,0]=4 2039 B9R0.48 COCC(C)OCC(=O)O af12d17716abae98c4b6439f05d9b8db [2,0,0,0,0,0|2,0,0]=4 2040 B9R0.48 COCN(C)CCC(=O)O 0303bd9b3e27ba66031eea0a93003c39 [2,0,0,0,0,0|2,0,0]=4 2041 B9R0.48 COC[C@@H](C)NCC(=O)O e8166a8a6f9778cdf58111f239ebd7ae [2,0,0,0,0,0|2,0,0]=4 2042 B9R0.48 COC[C@@H](C)OCC(=O)O 98562fabe6feb10b85b2a34b6a556f9c [2,0,0,0,0,0|2,0,0]=4 2043 B9R0.48 COC[C@H](C)NCC(=O)O 6115e49dc0a4f10f9f15c2b7faed79c6 [2,0,0,0,0,0|2,0,0]=4 2044 B9R0.48 COC[C@H](C)OCC(=O)O 3f04353f9edb1d4c983cf07f5d5e3249 [2,0,0,0,0,0|2,0,0]=4 2045 B9R0.48 CSCC(C)OCC(=O)O 55d35686540ec9ccedd07c412d0e4191 [2,0,0,0,0,0|2,0,0]=4 2046 B9R0.48 CSCN(C)CCC(=O)O 014d9e48ffe569c3e580b87ffc15fcd1 [2,0,0,0,0,0|2,0,0]=4 2047 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [2,0,0,0,0,0|2,0,0]=4 2048 B9R0.48 C[C@@H](CCO)NCC(=O)O e3de9f2ceaa95fe96caa8265de6dee4c [2,0,0,0,0,0|2,0,0]=4 2049 B9R0.48 C[C@H](CCO)NCC(=O)O a393ad11daa1ce12621ddeee9e978586 [2,0,0,0,0,0|2,0,0]=4 2050 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [2,0,0,0,0,0|2,0,0]=4 2051 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [2,0,0,0,0,0|2,0,0]=4 2052 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [2,0,0,0,0,0|2,0,0]=4 2053 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [2,0,0,0,0,0|1,0,0]=3 2054 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [2,0,0,0,0,0|2,0,0]=4 2055 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [2,0,0,0,0,0|2,0,0]=4 2056 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [2,0,0,0,0,0|1,0,0]=3 2057 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [2,0,0,0,0,0|2,0,0]=4 2058 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [2,0,0,0,0,0|2,0,0]=4 2059 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [2,0,0,0,0,0|2,0,0]=4 2060 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [2,0,0,0,0,0|1,0,0]=3 2061 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [2,0,0,0,0,0|2,0,0]=4 2062 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [2,0,0,0,0,0|2,0,0]=4 2063 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [2,0,0,0,0,0|2,0,0]=4 2064 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [2,0,0,0,0,0|1,0,0]=3 2065 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [2,0,0,0,0,0|2,0,0]=4 2066 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [2,0,0,0,0,0|2,0,0]=4 2067 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [2,0,0,0,0,0|1,0,0]=3 2068 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [2,0,0,0,0,0|2,0,0]=4 2069 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [2,0,0,0,0,0|2,0,0]=4 2070 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [2,0,0,0,0,0|1,0,0]=3 2071 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [2,0,0,0,0,0|2,0,0]=4 2072 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [2,0,0,0,0,0|1,0,0]=3 2073 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [2,0,0,0,0,0|2,0,0]=4 2074 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [2,0,0,0,0,0|2,0,0]=4 2075 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [2,0,0,0,0,0|2,0,0]=4 2076 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [2,0,0,0,0,0|2,0,0]=4 2077 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [2,0,0,0,0,0|1,0,0]=3 2078 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [2,0,0,0,0,0|2,0,0]=4 2079 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [2,0,0,0,0,0|2,0,0]=4 2080 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [2,0,0,0,0,0|2,0,0]=4 2081 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [2,0,0,0,0,0|2,0,0]=4 2082 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [2,0,0,0,0,0|2,0,0]=4 2083 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [2,0,0,0,0,0|2,0,0]=4 2084 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [2,0,0,0,0,0|2,0,0]=4 2085 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [2,0,0,0,0,0|2,0,0]=4 2086 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [2,0,0,0,0,0|2,0,0]=4 2087 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [2,0,0,0,0,0|2,0,0]=4 2088 B9R0.2 COCNCCCC(=O)O 64bd770f694cab9d693114f7ad1b17c7 [2,0,0,0,0,0|2,0,0]=4 2089 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [2,0,0,0,0,0|2,0,0]=4 2090 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [2,0,0,0,0,0|2,0,0]=4 2091 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [2,0,0,0,0,0|2,0,0]=4 2092 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [2,0,0,0,0,0|2,0,0]=4 2093 B9R0.2 CSCNCCCC(=O)O 7eae2fdc26b7518d89f6059c70e462f4 [2,0,0,0,0,0|2,0,0]=4 2094 B9R0.2 O=C(O)CCCCNCF f1da66cc537567fc1409c1b8a001e59a [2,0,0,0,0,0|2,0,0]=4 2095 B9R0.2 O=C(O)CCCCNCO a429407eaab02fb376aa947f0797c09f [2,0,0,0,0,0|2,0,0]=4 2096 B9R0.2 O=C(O)CCCCOCF 272aa66e75d0e45407420628e364d2e7 [2,0,0,0,0,0|2,0,0]=4 2097 B9R0.2 O=C(O)CCCNCCF 0ab78b72bdcdd94b4fcf99e3ac56449a [2,0,0,0,0,0|2,0,0]=4 2098 B9R0.2 O=C(O)CCCNCCI 7033442a1b0a8ae6af132618bc1c6df8 [2,0,0,0,0,0|2,0,0]=4 2099 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [2,0,0,0,0,0|2,0,0]=4 2100 B9R0.2 O=C(O)CCCNCCS ec86078ea056d643545478c3e7a92429 [2,0,0,0,0,0|2,0,0]=4 2101 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [2,0,0,0,0,0|2,0,0]=4 2102 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [2,0,0,0,0,0|2,0,0]=4 2103 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [2,0,0,0,0,0|2,0,0]=4 2104 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [2,0,0,0,0,0|2,0,0]=4 2105 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [2,0,0,0,0,0|2,0,0]=4 2106 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [2,0,0,0,0,0|2,0,0]=4 2107 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [2,0,0,0,0,0|2,0,0]=4 2108 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [2,0,0,0,0,0|2,0,0]=4 2109 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [2,0,0,0,0,0|2,0,0]=4 2110 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [2,0,0,0,0,0|2,0,0]=4 2111 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [2,0,0,0,0,0|2,0,0]=4 2112 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [2,0,0,0,0,0|2,0,0]=4 2113 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [2,0,0,0,0,0|2,0,0]=4 2114 B11R0.36 C=CCCN(CCCC)C(C)C 61f82e472b8ebbe57b98c086093182ef [1,1,0,0,0,0|2,0,0]=4 2115 B11R0.36 CC(C)N(CCC=O)CCCO 5e959de32f77be59dcdcdbece2834ecf [1,1,0,0,0,0|2,0,0]=4 2116 B11R0.36 CCCCN(C/C=C\O)C(C)C 4575dcf168eb25abbeb2901882d66aa4 [1,1,0,0,0,0|1,0,1]=4 2117 B11R0.36 CCCCN(CCC=O)C(C)C 876307288db0d3a19b66d1f873ca815f [1,1,0,0,0,0|1,0,0]=3 2118 B11R0.36 CCCCN(CCCO)C(C)C a43014b2e47ffa1660b6fe49d4dd8ad5 [1,1,0,0,0,0|1,0,1]=4 2119 B11R0.36 COCCN(CCC=O)C(C)C d0dace50d13ef5a8e695227e9c2cf3a5 [1,1,0,0,0,0|2,0,0]=4 2120 B11R0.152 C#CC(CCCC)OCCC=O 529913e5fde1033d3802faa1de8985e0 [1,1,0,0,0,0|0,0,2]=4 2121 B11R0.152 C#CCCNC(CC)CCCC 9dda6b8c62986e853b90023c49374733 [1,1,0,0,0,0|1,0,1]=4 2122 B11R0.152 C#CCCOC(CC)CCCC d8bac0184c61a48281b26b7e6bede53a [1,1,0,0,0,0|1,0,1]=4 2123 B11R0.152 C#CCNCC(CC)CCCC f753d8b12cff4116cd8e54f65356c1d4 [1,1,0,0,0,0|1,0,1]=4 2124 B11R0.152 C#CCNC[C@H](CC)CCCC 144508fc580abf8c7260cda68d25ae35 [1,1,0,0,0,0|1,0,1]=4 2125 B11R0.152 C#CCOCC(CC)CCCC 5b23556a7ceb2f197d89e0ff9b13433f [1,1,0,0,0,0|1,0,1]=4 2126 B11R0.152 C#CCOC[C@H](CC)CCCC 2c058711ba3ae5f6399891e1b70c8517 [1,1,0,0,0,0|1,0,1]=4 2127 B11R0.152 C/C=C/COC(CC)CCCC 83e1c9c3afe8c0765d19ca8c05fe43a3 [1,1,0,0,0,0|1,0,1]=4 2128 B11R0.152 C/C=C\COC(CC)CCCC e4a1eda46b48b52b831705ed29232321 [1,1,0,0,0,0|1,0,1]=4 2129 B11R0.152 C=CC(CCCC)OCCC=O 23c59f13e54b818df52947eebb79e975 [1,1,0,0,0,0|0,0,2]=4 2130 B11R0.152 C=CCCCN(CC)CCCC 0266ac55484f92f8f302d3c4e8721ad4 [1,1,0,0,0,0|2,0,0]=4 2131 B11R0.152 C=CCCN(CC)CCCCO 725d1be6b4904d90d6ae54b0b5280c6a [1,1,0,0,0,0|2,0,0]=4 2132 B11R0.152 C=CCCN(CC)CCCOC a0fa6cb29a759581c45b4491aca1b032 [1,1,0,0,0,0|2,0,0]=4 2133 B11R0.152 C=CCCN(CC)CCOCC caebf117fb0ef5f258dd82834a59f4ae [1,1,0,0,0,0|2,0,0]=4 2134 B11R0.152 C=CCCNC(CC)CCCC 964b0ac51ae4800d91cfdbd561d01813 [1,1,0,0,0,0|1,0,0]=3 2135 B11R0.152 C=CCCNC(CO)CCCC 0e371b4224e891209ab3062523ca4064 [1,1,0,0,0,0|2,0,0]=4 2136 B11R0.152 C=CCCN[C@@H](CO)CCCC 8d0590730dde9046b1f9c0580f18515f [1,1,0,0,0,0|2,0,0]=4 2137 B11R0.152 C=CCCN[C@H](CO)CCCC 7672e4032b7c1169ea9cf246d7d4871b [1,1,0,0,0,0|2,0,0]=4 2138 B11R0.152 C=CCCOC(CC)CCCC 06180620b984381643ba9590741be2e0 [1,1,0,0,0,0|1,0,0]=3 2139 B11R0.152 C=CCNCC(CC)CCCC b1376f8b4b801122c6e7c2c69235560e [1,1,0,0,0,0|1,0,0]=3 2140 B11R0.152 C=CCOC(CC)CCCCC acd8d4638b0ef4dfb8a71a9a4d662bad [1,1,0,0,0,0|2,0,0]=4 2141 B11R0.152 C=CCOCC(CC)CCCC 20d16bcab80894ff88c91e9e4de5ad55 [1,1,0,0,0,0|1,0,0]=3 2142 B11R0.152 C=CCO[C@@H](CC)CCCCC d58892f86efe28ea2646afa52a04bb6a [1,1,0,0,0,0|2,0,0]=4 2143 B11R0.152 CC#CCC(CC)OCCC=O fd60958f1f45479a408ad8c7c475b9b3 [1,1,0,0,0,0|0,0,2]=4 2144 B11R0.152 CC=CCNC(CC)CCCC 8def921383b1f7115e11ceb4e18e0255 [1,1,0,0,0,0|1,0,1]=4 2145 B11R0.152 CC=CCOC(CC)CCCC e13d537eed9412e5e851212004774838 [1,1,0,0,0,0|1,0,1]=4 2146 B11R0.152 CCC/C=C(\CC)/COCC=O 1d586f1a5d0c13c87dff251438ca2f2b [1,1,0,0,0,0|0,0,2]=4 2147 B11R0.152 CCCCC(CC)CCOCC d10689b361b044ef9215192bce787a09 [1,1,0,0,0,0|1,0,1]=4 2148 B11R0.152 CCCCC(CC)CCOCF e6d7ce7fa2831f9a99243022ebc22aa6 [1,1,0,0,0,0|1,0,1]=4 2149 B11R0.152 CCCCC(CC)CNCC#N 519fdfefad4190d21194c9a79736c816 [1,1,0,0,0,0|1,0,1]=4 2150 B11R0.152 CCCCC(CC)CNCC=O d573422c031a1661590b4bd3fcbe27c0 [1,1,0,0,0,0|0,0,0]=2 2151 B11R0.152 CCCCC(CC)CNCCBr 7a64963af072389348aafc258cd68233 [1,1,0,0,0,0|1,0,1]=4 2152 B11R0.152 CCCCC(CC)CNCCC 68ad1975366b4aac6f8a6533a24173f4 [1,1,0,0,0,0|1,0,1]=4 2153 B11R0.152 CCCCC(CC)CNCCF 5b8f804b2d80384c64439abcaf2edbd6 [1,1,0,0,0,0|1,0,1]=4 2154 B11R0.152 CCCCC(CC)CNCCI 5fe4772a999e706a52e528ba6c5b0747 [1,1,0,0,0,0|1,0,1]=4 2155 B11R0.152 CCCCC(CC)CNCCO 2cccb32d62388d9a66500d45dd1f3e16 [1,1,0,0,0,0|0,0,1]=3 2156 B11R0.152 CCCCC(CC)CNCCS 08d0ebae1e3ec17966f6485f9ee7dc51 [1,1,0,0,0,0|0,1,1]=4 2157 B11R0.152 CCCCC(CC)CNCOC e42a32978669721b3dcbc12c2a61647e [1,1,0,0,0,0|1,0,1]=4 2158 B11R0.152 CCCCC(CC)CNCSC b5d18f6a7a180e9a01315b426a7cdd7f [1,1,0,0,0,0|2,0,0]=4 2159 B11R0.152 CCCCC(CC)COCC#N 66ca56565881634dd100f440aaec0cbc [1,1,0,0,0,0|1,0,1]=4 2160 B11R0.152 CCCCC(CC)COCC=O 6c0f881ca75df0511a13222e27132e3f [1,1,0,0,0,0|0,0,0]=2 2161 B11R0.152 CCCCC(CC)COCCC 1596fb586f35d6257c58a437260e8f23 [1,1,0,0,0,0|1,0,1]=4 2162 B11R0.152 CCCCC(CC)COCCF 89e304f1eb3ad72b1e43c84adbace85f [1,1,0,0,0,0|1,0,1]=4 2163 B11R0.152 CCCCC(CC)COCCS f2dc16f1ed0b1891a46160d31334ec9b [1,1,0,0,0,0|0,1,1]=4 2164 B11R0.152 CCCCC(CC)COCOC 0a46ee225d3c302f1b29ce28b1281c92 [1,1,0,0,0,0|1,0,1]=4 2165 B11R0.152 CCCCC(CC)COCSC c7cacca3fc87e4304906d140931dff30 [1,1,0,0,0,0|2,0,0]=4 2166 B11R0.152 CCCCC(CC)NCCC#N a1949d20c5a72d8b52a7578dfc017ebd [1,1,0,0,0,0|1,0,1]=4 2167 B11R0.152 CCCCC(CC)NCCCCl 6633dfd8bb92219792bb5bc64d962eec [1,1,0,0,0,0|1,0,1]=4 2168 B11R0.152 CCCCC(CC)NCCCO c4dd78353ade1fc43c9028f5f689538b [1,1,0,0,0,0|0,0,1]=3 2169 B11R0.152 CCCCC(CC)NCCOC 6ca06bbf5ee49911b8df52f2511d5cc9 [1,1,0,0,0,0|1,0,1]=4 2170 B11R0.152 CCCCC(CC)NCCON fd019a9e5de56b540549ecc5797de179 [1,1,0,0,0,0|1,0,1]=4 2171 B11R0.152 CCCCC(CC)NCCSC 6e57c4ac9d69711114f57b66bd3421bf [1,1,0,0,0,0|2,0,0]=4 2172 B11R0.152 CCCCC(CC)OC/C=C/Cl 3fa10139bb42a23eaaf5943aee47161d [1,1,0,0,0,0|1,0,1]=4 2173 B11R0.152 CCCCC(CC)OC/C=C\Cl c908b191fd032d9038385b41b29faa78 [1,1,0,0,0,0|1,0,1]=4 2174 B11R0.152 CCCCC(CC)OCC=CCl ecee1a3e278c9afa0ea35def2c53c071 [1,1,0,0,0,0|1,0,1]=4 2175 B11R0.152 CCCCC(CC)OCCC#N 17668e584f72e06d83479848994d5c67 [1,1,0,0,0,0|1,0,1]=4 2176 B11R0.152 CCCCC(CC)OCCC=O b5daa50956c27df2e3c885ddd4693691 [1,1,0,0,0,0|0,0,0]=2 2177 B11R0.152 CCCCC(CC)OCCCF 87b757998fef58278636d8d198e71690 [1,1,0,0,0,0|1,0,1]=4 2178 B11R0.152 CCCCC(CC)OCCCS 608785a7a50e15eaab2adae887dda12b [1,1,0,0,0,0|0,1,1]=4 2179 B11R0.152 CCCCC(CC)OCCOC 18eb75c977ddb45453d6d02a26c0c657 [1,1,0,0,0,0|1,0,1]=4 2180 B11R0.152 CCCCC(CC)OCCSC e34603a685d1109ce04bff26b9bf2111 [1,1,0,0,0,0|2,0,0]=4 2181 B11R0.152 CCCCC(CO)NC/C=C\O ca0350347249b548443130bee9b38a8d [1,1,0,0,0,0|1,0,1]=4 2182 B11R0.152 CCCCC(CO)NCCC=O 87b9a6339792ec611b74b17cb64f1445 [1,1,0,0,0,0|1,0,0]=3 2183 B11R0.152 CCCCC(CO)NCCCO 8633867a1fd5f956c3c5b31325ed330c [1,1,0,0,0,0|1,0,1]=4 2184 B11R0.152 CCCCCC(CC)OCC=O 3748c30355b53b5a08e92874af6c7df5 [1,1,0,0,0,0|1,0,0]=3 2185 B11R0.152 CCCCCN(CC)CCCO 08ca90ae5da9518d59380ba6e8880023 [1,1,0,0,0,0|1,0,1]=4 2186 B11R0.152 CCCCC[C@H](CC)OCC=O 50643618d85dcb65e346d1b40f5660bf [1,1,0,0,0,0|1,0,0]=3 2187 B11R0.152 CCCCN(CC)CCCC=O 6e0f1de2e80a7eae0dae0066da6794d0 [1,1,0,0,0,0|1,0,0]=3 2188 B11R0.152 CCCCN(CC)CCCCO 69f8a1ddabdbf35a22d7af97022a899d [1,1,0,0,0,0|1,0,1]=4 2189 B11R0.152 CCCCN(CC)CCCOC 6882ac95a357ff79eed539f182472471 [1,1,0,0,0,0|1,0,1]=4 2190 B11R0.152 CCCCN(CC)CCNC=O abe5892eaecfffeb8b874678d444ab92 [1,1,0,0,0,0|1,0,0]=3 2191 B11R0.152 CCCCN(CC)CCNCO 8235fd01a905a9fb7344455ce58ec5bd [1,1,0,0,0,0|1,0,1]=4 2192 B11R0.152 CCCCNC(CC)CCCC d321950a6c3e89aba8ae946f5f6793a9 [1,1,0,0,0,0|1,0,1]=4 2193 B11R0.152 CCCCNC(CO)CCCO e9052d36dac41caa28df029658b40a00 [1,1,0,0,0,0|1,0,1]=4 2194 B11R0.152 CCCCOC(CC)CCCC c1f3bbc6a563dbff01f8ab6ea3f3a6ef [1,1,0,0,0,0|1,0,1]=4 2195 B11R0.152 CCCC[C@@H](CC)CNCC#N 7f0cfa993fa9176699c0285699382e7e [1,1,0,0,0,0|1,0,1]=4 2196 B11R0.152 CCCC[C@@H](CC)CNCCBr 2380b06ab6a84d85ac72750f43301ce8 [1,1,0,0,0,0|1,0,1]=4 2197 B11R0.152 CCCC[C@@H](CC)CNCCC 04f28e4a45b5b9810b2dda6ded3a3568 [1,1,0,0,0,0|1,0,1]=4 2198 B11R0.152 CCCC[C@@H](CC)CNCCF fdd90dc132d84a24f07883ab267e71d7 [1,1,0,0,0,0|1,0,1]=4 2199 B11R0.152 CCCC[C@@H](CC)CNCCI 580c6e10c45d1d2259820cdd7113163c [1,1,0,0,0,0|1,0,1]=4 2200 B11R0.152 CCCC[C@@H](CC)CNCCO 076db43a0604f0dc4205592a805e7e1f [1,1,0,0,0,0|0,0,1]=3 2201 B11R0.152 CCCC[C@@H](CC)CNCCS d5a2f31ddbfdd4ad86468afd94926c6a [1,1,0,0,0,0|0,1,1]=4 2202 B11R0.152 CCCC[C@@H](CC)COCC#N f0c8d4af37517e0f0959ea78312cee34 [1,1,0,0,0,0|1,0,1]=4 2203 B11R0.152 CCCC[C@@H](CC)COCCC 59b28df42dea06fca802a12e7155a975 [1,1,0,0,0,0|1,0,1]=4 2204 B11R0.152 CCCC[C@@H](CC)COCCF 41f0e9f84aca8f68ef2e04d57c6cfecd [1,1,0,0,0,0|1,0,1]=4 2205 B11R0.152 CCCC[C@@H](CC)COCCS 0f5bb6aa44b617bca6a384dbdaf4ee59 [1,1,0,0,0,0|0,1,1]=4 2206 B11R0.152 CCCC[C@@H](CC)COCOC 1e1e31881779259e55922bcca747e919 [1,1,0,0,0,0|1,0,1]=4 2207 B11R0.152 CCCC[C@@H](CO)NC/C=C\O 8013523ea2b1de47e1d4a8d053fd8b64 [1,1,0,0,0,0|1,0,1]=4 2208 B11R0.152 CCCC[C@@H](CO)NCCC=O 8f70094557c96ad6c5097cc895e93ade [1,1,0,0,0,0|1,0,0]=3 2209 B11R0.152 CCCC[C@@H](CO)NCCCO 52db9fc4a25b1afcbcb6df9bace3594f [1,1,0,0,0,0|1,0,1]=4 2210 B11R0.152 CCCC[C@H](CO)NC/C=C\O 416b90af05a6b7c4dad3b1947c08bd2b [1,1,0,0,0,0|1,0,1]=4 2211 B11R0.152 CCCC[C@H](CO)NCCC=O 284cb36ddf877ac144eb29337a4a61b2 [1,1,0,0,0,0|1,0,0]=3 2212 B11R0.152 CCCC[C@H](CO)NCCCO c9b1f14c1e3a69fc05888b54c51d7c38 [1,1,0,0,0,0|1,0,1]=4 2213 B11R0.152 CCN(C/C=C\O)CCCCO 68a0c3c38a232767912adb6dde2ee24c [1,1,0,0,0,0|1,0,1]=4 2214 B11R0.152 CCN(C/C=C\O)CCCOC 6718807c18db24c70135ec23656e0f56 [1,1,0,0,0,0|1,0,1]=4 2215 B11R0.152 CCN(CCC=O)CCCCO 92b83d5a9c7ce4e8d0703bb8e5e8afca [1,1,0,0,0,0|1,0,0]=3 2216 B11R0.152 CCN(CCC=O)CCCOC 39ae2772c53b33527a3568aa6e63fc93 [1,1,0,0,0,0|1,0,0]=3 2217 B11R0.152 CCN(CCCC=O)CCOC 76320a3ccc31e63a4bd1f95e54a51d0c [1,1,0,0,0,0|2,0,0]=4 2218 B11R0.152 CCN(CCCO)CCCC=O 722de7dd3b659fed1b4e9ab0ff7fa6ce [1,1,0,0,0,0|2,0,0]=4 2219 B11R0.152 CCN(CCCO)CCCCF e241457e651e18a69777c8b7e1094e77 [1,1,0,0,0,0|1,0,1]=4 2220 B11R0.152 CCN(CCCO)CCCCO e5d4b70342ba02cc9720bba65db68aaa [1,1,0,0,0,0|1,0,1]=4 2221 B11R0.152 CCN(CCCO)CCCOC c07351f6022c550d74cc5550486dbfd7 [1,1,0,0,0,0|1,0,1]=4 2222 B11R0.152 CCN(CCCO)CCCSC 286195224d10749dda1c6e8ebb9594ac [1,1,0,0,0,0|1,0,1]=4 2223 B11R0.152 CCOCCN(CC)C/C=C\O 4a748c9c0d2114a66ee447edb5c5a20b [1,1,0,0,0,0|1,0,1]=4 2224 B11R0.152 CCOCCN(CC)CCC=O 6f596d967199e80bc6c86df1669e746f [1,1,0,0,0,0|1,0,0]=3 2225 B11R0.152 CCOCCN(CC)CCCO 60d5633706a61613651236caf710183f [1,1,0,0,0,0|1,0,1]=4 2226 B11R0.152 CCSCCN(CC)CCCO 9d0538d3fb4eb896cfa16fb45c1708c8 [1,1,0,0,0,0|1,0,1]=4 2227 B11R0.152 CSCCC(CO)CNCC=O 1122131a4fa0c18fd8280cf0fbb9b048 [1,1,0,0,0,0|2,0,0]=4 2228 B11R0.152 CSCCC(CO)NCCC=O 2e14db6a25ccc0a34f3a4d3b33e3a40a [1,1,0,0,0,0|2,0,0]=4 2229 B11R0.152 CSCC[C@@H](CO)NCCC=O 5b0c083c265162bb6ef83a2ceb20ca92 [1,1,0,0,0,0|2,0,0]=4 2230 B11R0.152 CSCC[C@H](CO)NCCC=O 9e3c40dc342f638c321eb79ceb1ce25c [1,1,0,0,0,0|2,0,0]=4 2231 B11R0.152 O=CCCNC(CO)CCCO f42e98bf82dc109c629dd3f5180341fc [1,1,0,0,0,0|2,0,0]=4 2232 B11R0.158 C=CCC(CCCC)OCC=O 61318a3a322a2657b46320b89b4f6acb [1,1,0,0,0,0|1,0,1]=4 2233 B11R0.158 C=CCCN(CCC)CCCC f93ff8fab7d9f74e2a3e2b62068c349f [1,1,0,0,0,0|2,0,0]=4 2234 B11R0.158 C=CCCN(CCO)CCCC f8b8eaeab732da75b13782763f22a124 [1,1,0,0,0,0|2,0,0]=4 2235 B11R0.158 C=CCCN(CCS)CCCC b05cd9790450ae4361061b2160539e5b [1,1,0,0,0,0|2,0,0]=4 2236 B11R0.158 C=CCOC(CCC)CCCC 583a02a44a381fd2f2524802d07fc4d5 [1,1,0,0,0,0|2,0,0]=4 2237 B11R0.158 CCCCC(CCC)OCC=O e9dd59c3eff8212b4d8b5276ccddbcd9 [1,1,0,0,0,0|1,0,0]=3 2238 B11R0.158 CCCCC(CCCC)NCC c20d639030f68df03f28dfe04c4eaa7c [1,1,0,0,0,0|1,0,1]=4 2239 B11R0.158 CCCCC(CCCC)OCC 27444eaf06abe0efef41d97c6b841555 [1,1,0,0,0,0|1,0,1]=4 2240 B11R0.158 CCCCN(C/C=C\O)CCC 6f35d7e8085669f5daea173bbbf5af47 [1,1,0,0,0,0|1,0,1]=4 2241 B11R0.158 CCCCN(C/C=C\O)CCO ef034b385c07e3041c4e1b598792aba7 [1,1,0,0,0,0|1,0,1]=4 2242 B11R0.158 CCCCN(C/C=C\O)CCS 33b5cd10d51ba64ebc092e5d4360e780 [1,1,0,0,0,0|1,0,1]=4 2243 B11R0.158 CCCCN(CC#N)CCC=O 8c79b7072da12939209317a72f86c98d [1,1,0,0,0,0|1,0,1]=4 2244 B11R0.158 CCCCN(CCC)CCC=O 3617356215bf9a35b96bb2c17a4ea733 [1,1,0,0,0,0|1,0,0]=3 2245 B11R0.158 CCCCN(CCC)CCCO fed6a9614d082e9f96c3214e2c3b37cf [1,1,0,0,0,0|1,0,1]=4 2246 B11R0.158 CCCCN(CCO)CCC=O 8836b231553dbf8dda48c2fe458362e6 [1,1,0,0,0,0|1,0,0]=3 2247 B11R0.158 CCCCN(CCO)CCCO 4690705b9392e848404049350afcfaf2 [1,1,0,0,0,0|1,0,1]=4 2248 B11R0.158 CCCCN(CCS)CCC=O 16853d6afa5dac9d393bd4abe4923e65 [1,1,0,0,0,0|1,0,0]=3 2249 B11R0.158 CCCCN(CCS)CCCO 7fe01707d0530dc6916bb34ba7ca9251 [1,1,0,0,0,0|1,0,1]=4 2250 B11R0.158 CCCN(CCC=O)CCCO ab543a9bb2b9114c022ae2aa304c6730 [1,1,0,0,0,0|2,0,0]=4 2251 B11R0.158 CCCN(CCC=O)CCOC 17c388f90ace57538c1f1705d49814c6 [1,1,0,0,0,0|2,0,0]=4 2252 B11R0.158 O=CCCN(CCO)CCCO 68341d097661610759c2ab62ce516627 [1,1,0,0,0,0|2,0,0]=4 2253 B11R0.166 C=C(C=O)OC(CC)CCCC 75e2e034773d5ce227937b1e18798936 [1,1,0,0,0,0|1,0,1]=4 2254 B11R0.166 C=CC(C)NC(CC)CCCC c9dcef3de3f066f4744091abecb24294 [1,1,0,0,0,0|2,0,0]=4 2255 B11R0.166 C=CC(C)OC(CC)CCCC d48640b6cfff2c4b50e84a563bfe3bfd [1,1,0,0,0,0|2,0,0]=4 2256 B11R0.166 C=CCCN(CC)CC(O)CC 5f8154ef2a0be584117cc847a880e541 [1,1,0,0,0,0|2,0,0]=4 2257 B11R0.166 C=CCOC(CC)CC(C)CC 8aad7195cf46503f12ecf9459cbdeece [1,1,0,0,0,0|2,0,0]=4 2258 B11R0.166 C=C[C@H](C)OC(CC)CCCC 912aad461ce64e3e0c9c76a36a7bf67f [1,1,0,0,0,0|2,0,0]=4 2259 B11R0.166 CCC(C)CC(CC)OCC=O d4bcf8992936bba3bcce298253ffcfc6 [1,1,0,0,0,0|1,0,0]=3 2260 B11R0.166 CCC(C)CN(CC)CCCO 06e4eec3b8d3aad6c3288cd7711111bf [1,1,0,0,0,0|1,0,1]=4 2261 B11R0.166 CCC(O)CN(CC)C/C=C\O e2b1dbaf748853e9e2333c087199a763 [1,1,0,0,0,0|1,0,1]=4 2262 B11R0.166 CCC(O)CN(CC)CCC=O a58b0ac4539b179ff314b3f05d1c3bc3 [1,1,0,0,0,0|1,0,0]=3 2263 B11R0.166 CCC(O)CN(CC)CCCO 2cea74a48519c788c065561c50d7d6dc [1,1,0,0,0,0|1,0,1]=4 2264 B11R0.166 CCCCC(CC)NC(C)CO 79fa1e8d646adcb2db2fc3679f5914f0 [1,1,0,0,0,0|1,0,1]=4 2265 B11R0.166 CCCCC(CC)N[C@@H](C)CO 489898b186c947f1da8cecca8a2835cb [1,1,0,0,0,0|1,0,1]=4 2266 B11R0.166 CCCCC(CC)N[C@H](C)CO 88407c287409ee91b2da06c3d1ca794a [1,1,0,0,0,0|1,0,1]=4 2267 B11R0.166 CCCCC(CC)OC(C)C=O 13f6aa658b62c26be6a2f64b6fe5b407 [1,1,0,0,0,0|1,0,0]=3 2268 B11R0.166 CCCCC(CC)O[C@H](C)C=O 170b3acff985e43123af84bd7abb37af [1,1,0,0,0,0|1,0,0]=3 2269 B11R0.166 CCCCC(CO)NC(C)C=O 5444861f073ff7cb53844aac7ccb48b3 [1,1,0,0,0,0|2,0,0]=4 2270 B11R0.166 CCCCC(CO)N[C@H](C)C=O 7376644bc4fd85a9bf6ac86965e8a573 [1,1,0,0,0,0|2,0,0]=4 2271 B11R0.166 CCCCN(CC)CC(C)CO e7216a849def202d85870114555fc85b [1,1,0,0,0,0|1,0,1]=4 2272 B11R0.166 CCCCN(CC)CC(O)CO 1b9afa9393c99a40248dff3212f4d094 [1,1,0,0,0,0|1,0,1]=4 2273 B11R0.166 CCCCN(CC)C[C@@H](C)CO 2845363671961c6bec0c960c2b235b6b [1,1,0,0,0,0|1,0,1]=4 2274 B11R0.166 CCCCN(CC)C[C@@H](O)CO 2358b625bd00f894a286272292466526 [1,1,0,0,0,0|1,0,1]=4 2275 B11R0.166 CCCCN(CC)C[C@H](C)CO acd2064a473b6c90a06acc2af30a3690 [1,1,0,0,0,0|1,0,1]=4 2276 B11R0.166 CCCCN(CC)C[C@H](O)CO 892a299d0997a36dd90d1389ed26f975 [1,1,0,0,0,0|1,0,1]=4 2277 B11R0.166 CCCC[C@@H](CO)NC(C)C=O 27f6f7ac9d836ea34310cb325760c61a [1,1,0,0,0,0|2,0,0]=4 2278 B11R0.166 CCCC[C@@H](CO)N[C@H](C)C=O 6ed58d3a9e5943b751f918c5cef5e6f8 [1,1,0,0,0,0|2,0,0]=4 2279 B11R0.166 CCCC[C@H](CO)NC(C)C=O 91bf0c518343148516c940d301985e72 [1,1,0,0,0,0|2,0,0]=4 2280 B11R0.166 CCCC[C@H](CO)N[C@H](C)C=O e3c70a9811095956d3d045c961b22812 [1,1,0,0,0,0|2,0,0]=4 2281 B11R0.166 CC[C@@H](C)CN(CC)CCCO d50b73d9e9c5fa0bfe7579856cbc6f7d [1,1,0,0,0,0|1,0,1]=4 2282 B11R0.166 CC[C@H](C)CN(CC)CCCO a3e3c9de48180ce8a035b357fcd5cc75 [1,1,0,0,0,0|1,0,1]=4 2283 B11R0.191 C=CCN(C)C(CC)CCCC f9076be913be4f8e02ff5b4807b2d7e2 [1,1,0,0,0,0|2,0,0]=4 2284 B11R0.191 C=CCOC(CC)C(C)CCC bbac9f9612c68c7d936a073abba82b7e [1,1,0,0,0,0|2,0,0]=4 2285 B11R0.191 CCCC(C)C(CC)OCC=O 5ef9510643a595a455c8accc61037352 [1,1,0,0,0,0|1,0,0]=3 2286 B11R0.191 CCCC(C)N(CC)CCCO b1ae99bfd13488e80af41b3cd4aeeade [1,1,0,0,0,0|1,0,1]=4 2287 B11R0.191 CCCCC(CC)N(C)CCO 4039009e0ca3b90240dd66b07422b570 [1,1,0,0,0,0|1,0,1]=4 2288 B11R0.191 CCCCN(CC)C(=O)CC=O c88f840238b90c66e1a1df6d95af7152 [1,1,0,0,0,0|1,0,1]=4 2289 B11R0.191 CCCCN(CC)C(C)CCO 897932fe0dc2dfc3fce1e16ddc1dfef6 [1,1,0,0,0,0|1,0,1]=4 2290 B11R0.191 CCN(CCC=O)C(C)CCO 765fb05fe0d93fa116ce95eda641cd09 [1,1,0,0,0,0|2,0,0]=4 2291 B11R0.37 C=C(CN(CC)CCC)C(=O)O cf8766c52a7dd01ec85809ea949018ea [1,1,0,0,0,0|1,0,1]=4 2292 B11R0.37 CCCC(CC)NC(C)C(=O)N 130cd75e38e66f0bcc24ccf74de900cb [1,1,0,0,0,0|2,0,0]=4 2293 B11R0.37 CCCC(CC)NC(C)C(=O)O 81a8d4291acf7b584d252e524584e803 [1,1,0,0,0,0|1,0,0]=3 2294 B11R0.37 CCCC(CC)NC(O)C(=O)O 2e1987f4c5ca55c2cda244f21f4231bc [1,1,0,0,0,0|1,0,0]=3 2295 B11R0.37 CCCC(CC)N[C@@H](C)C(=O)N 00b889f9f1f0271873905009be1950fd [1,1,0,0,0,0|2,0,0]=4 2296 B11R0.37 CCCC(CC)N[C@@H](C)C(=O)O c46afe63630536c71247e46ab746fcb3 [1,1,0,0,0,0|1,0,0]=3 2297 B11R0.37 CCCC(CC)N[C@H](C)C(=O)N cc18ce494790ef3cff531d9b2d762280 [1,1,0,0,0,0|2,0,0]=4 2298 B11R0.37 CCCC(CC)N[C@H](C)C(=O)O 7c5d6aba2c213f74bbf7d4786ab2b969 [1,1,0,0,0,0|1,0,0]=3 2299 B11R0.37 CCCC(CC)OC(C)C(=O)C d37f65f506039763147ddefcb3e53449 [1,1,0,0,0,0|2,0,0]=4 2300 B11R0.37 CCCC(CC)OC(C)C(=O)N 3ea086f9655849acc7716f6e3d5fbe4b [1,1,0,0,0,0|2,0,0]=4 2301 B11R0.37 CCCC(CC)OC(C)C(=O)O 5024f7817298661010526e3822da5848 [1,1,0,0,0,0|1,0,0]=3 2302 B11R0.37 CCCC(CC)OC(F)C(=O)N a1692e4e06f61d093bf8ddd55bb19034 [1,1,0,0,0,0|2,0,0]=4 2303 B11R0.37 CCCC(CC)OC(F)C(=O)O 9b6a7937309c8cb753e64563b9aa9989 [1,1,0,0,0,0|1,0,0]=3 2304 B11R0.37 CCCC(CC)O[C@@H](C)C(=O)N 5b51674ef017d1018e6d8380f652c141 [1,1,0,0,0,0|2,0,0]=4 2305 B11R0.37 CCCC(CC)O[C@@H](C)C(=O)O a66380cf429cf704cc2c2c26e9442dc0 [1,1,0,0,0,0|1,0,0]=3 2306 B11R0.37 CCCC(CC)O[C@@H](F)C(=O)O 0f0769e50652cc4290948fa4ab348840 [1,1,0,0,0,0|1,0,0]=3 2307 B11R0.37 CCCC(CC)O[C@H](C)C(=O)N 1f77bd82b3eafff268274041824e8d84 [1,1,0,0,0,0|2,0,0]=4 2308 B11R0.37 CCCC(CC)O[C@H](C)C(=O)O c1c8ccd0906bf588c9b24a7deabf6462 [1,1,0,0,0,0|1,0,0]=3 2309 B11R0.37 CCCN(CC)CC(=O)C(=O)O 3639b9f7b7a11e0e1db0b7c300d62855 [1,1,0,0,0,0|1,0,1]=4 2310 B11R0.37 CCCN(CC)CC(C)C(=O)O 0fac4f21dd69171644dfd52521ae3140 [1,1,0,0,0,0|1,0,0]=3 2311 B11R0.37 CCC[C@@H](CC)OC(C)C(=O)C 074d10512211a6719f8242edbe77607c [1,1,0,0,0,0|2,0,0]=4 2312 B11R0.37 CCC[C@@H](CC)OC(C)C(=O)N 180de7cd1901ec6c1bd17a1512a30d6d [1,1,0,0,0,0|2,0,0]=4 2313 B11R0.37 CCC[C@@H](CC)OC(C)C(=O)O 69b50d245c99bb519b8a82d1cdb9e632 [1,1,0,0,0,0|1,0,0]=3 2314 B11R0.37 CCC[C@@H](CC)OC(F)C(=O)N 3cffbd9900209744f902066c8d0570d1 [1,1,0,0,0,0|2,0,0]=4 2315 B11R0.37 CCC[C@@H](CC)OC(F)C(=O)O d26c6a0a071ee737c42738bfea9d7a62 [1,1,0,0,0,0|1,0,0]=3 2316 B11R0.37 CCC[C@@H](CC)O[C@@H](C)C(=O)N c666c02400e05c6620b3c9d8b1396f69 [1,1,0,0,0,0|2,0,0]=4 2317 B11R0.37 CCC[C@@H](CC)O[C@@H](C)C(=O)O f0de554ad3df30196eed8f5977b18a69 [1,1,0,0,0,0|1,0,0]=3 2318 B11R0.37 CCC[C@@H](CC)O[C@@H](F)C(=O)O f30ca1aeaad8fcb92c821a55f0415fc5 [1,1,0,0,0,0|1,0,0]=3 2319 B11R0.37 CCC[C@@H](CC)O[C@H](C)C(=O)N 3fe8cc960728e9eb86d4891ff84478ef [1,1,0,0,0,0|2,0,0]=4 2320 B11R0.37 CCC[C@@H](CC)O[C@H](C)C(=O)O 1464cfff4670abf219e2d17b22fe0f73 [1,1,0,0,0,0|1,0,0]=3 2321 B11R0.37 CCN(CCCl)CC(C)C(=O)O 34441819d06e8aa235d0e1f1dfa6ccfd [1,1,0,0,0,0|2,0,0]=4 2322 B11R0.37 CCN(CCCl)CC(O)C(=O)O af13b193585a4eee86f84f003c26ee97 [1,1,0,0,0,0|2,0,0]=4 2323 B11R0.37 CCN(CCCl)C[C@H](O)C(=O)O 3ca8f520056f59e5489e38f988c9472f [1,1,0,0,0,0|2,0,0]=4 2324 B11R0.37 CCN(CCO)CC(C)C(=O)O 106fa1ad21e0ae1935820915588a4cf6 [1,1,0,0,0,0|2,0,0]=4 2325 B11R0.118 CCC(=O)C(CC)OCC(=O)O 6a9c05a360ce966a967a3de5c4af871d [1,1,0,0,0,0|1,0,1]=4 2326 B11R0.118 CCC(C)C(CO)NCC(=O)O 43a4898d884720edf8774165d28b896b [1,1,0,0,0,0|2,0,0]=4 2327 B11R0.118 CCC(C)N(CC)CCC(=O)C 13bac05f4a6dc7d0e2e6efe7e2903ea9 [1,1,0,0,0,0|2,0,0]=4 2328 B11R0.118 CCC(C)N(CC)CCC(=O)N 727c1eee0e40bf505f63a2e761f2ba3e [1,1,0,0,0,0|2,0,0]=4 2329 B11R0.118 CCC(O)C(CC)NCC(=O)N 21f691263c0d9b33de18f5c6cafe562a [1,1,0,0,0,0|2,0,0]=4 2330 B11R0.118 CCC(O)C(CC)NCC(=O)O 2c0dd160b220faf48f1e8357781825c5 [1,1,0,0,0,0|1,0,0]=3 2331 B11R0.118 CC[C@@H](C)[C@H](CO)NCC(=O)O 128eaa821f5c2aca8d5075057d8e29c0 [1,1,0,0,0,0|2,0,0]=4 2332 B11R0.118 CC[C@H](C)[C@@H](CO)NCC(=O)O 6ce2c8d78b9bea6f81a1ebfbc79292a3 [1,1,0,0,0,0|2,0,0]=4 2333 B11R0.133 CCCC(CC)N(C)CC(=O)N 70e7307e624835af2dc59e006fbe4468 [1,1,0,0,0,0|2,0,0]=4 2334 B11R0.133 CCCC(CC)N(C)CC(=O)O c491e5f6040c17396784f1a7fb65af08 [1,1,0,0,0,0|1,0,0]=3 2335 B11R0.133 CCCN(CC)C(C)CC(=O)O 14062d9f9d278c6987072da8029e6ae0 [1,1,0,0,0,0|1,0,0]=3 2336 B11R0.133 CCCN(CF)C(C)CC(=O)O f4bd8387edb51f5b14a9c1fb58067f4a [1,1,0,0,0,0|2,0,0]=4 2337 B11R0.133 CCCN(CO)C(C)CC(=O)O 7877cd8ffb5a7acd02b04bd4473206ef [1,1,0,0,0,0|2,0,0]=4 2338 B11R0.133 CCN(CCCl)C(C)CC(=O)O cd1b313f3918869db0fda34ad160a8da [1,1,0,0,0,0|2,0,0]=4 2339 B11R0.133 CCN(CCO)C(C)CC(=O)O c028a010da2efcf3ba1b56ecf52d7ad2 [1,1,0,0,0,0|2,0,0]=4 2340 B11R0.134 C=C(COC(CC)CCC)OC 0dd3ba5851c304a997180d8c713b31c1 [1,1,0,0,0,0|2,0,0]=4 2341 B11R0.134 C=C(CO[C@H](CC)CCC)OC d28d46123f9c7dfa6ad83bd99e5edec7 [1,1,0,0,0,0|2,0,0]=4 2342 B11R0.134 CCC(COC)NCC(=O)CO 1e68b7dfbe946e8dd5c5bcd2a0382dcd [1,1,0,0,0,0|2,0,0]=4 2343 B11R0.134 CCC(COC)NCC(=O)OC fd486a28c86b50924533a07524305815 [1,1,0,0,0,0|2,0,0]=4 2344 B11R0.134 CCC(COC)OCC(=O)OC f1173daca0a3b6f154137cf0c8f38e8e [1,1,0,0,0,0|2,0,0]=4 2345 B11R0.134 CCC(CSC)OCC(=O)OC e01f597f25a6b3ec7ff22eb0651646da [1,1,0,0,0,0|2,0,0]=4 2346 B11R0.134 CCCC(CC)NCC(=O)NC 2245d6baeec5d8c7bbe17e0d2fe93967 [1,1,0,0,0,0|2,0,0]=4 2347 B11R0.134 CCCC(CC)NCC(=O)NO 18789eed4ab21aba096eeff902ea6df4 [1,1,0,0,0,0|1,0,0]=3 2348 B11R0.134 CCCC(CC)NCC(=O)OC 6734c390b6573d6e99bf2ac35e16c1e9 [1,1,0,0,0,0|1,0,0]=3 2349 B11R0.134 CCCC(CC)OCC(=O)CC 4e3e6dacfbaf89499604ed504e9dd5d2 [1,1,0,0,0,0|2,0,0]=4 2350 B11R0.134 CCCC(CC)OCC(=O)NC 11512558d906b1940c222e372e659b5e [1,1,0,0,0,0|2,0,0]=4 2351 B11R0.134 CCCC(CC)OCC(=O)OC 363969a7207d80c021a147ccef073e65 [1,1,0,0,0,0|1,0,0]=3 2352 B11R0.134 CCCC(CO)NCC(=O)CO a30873884481a44d29f1f777a7e15dbd [1,1,0,0,0,0|2,0,0]=4 2353 B11R0.134 CCCC(CO)NCC(=O)OC bc4b266c3136b16a57123d2845594019 [1,1,0,0,0,0|2,0,0]=4 2354 B11R0.134 CCCN(CC)CCC(=O)NC fa8045fd15c74b85d0a48573f3e8be3d [1,1,0,0,0,0|2,0,0]=4 2355 B11R0.134 CCCN(CC)CCC(=O)OC d2ca122e274cfbfdb6b14e66686409eb [1,1,0,0,0,0|1,0,0]=3 2356 B11R0.134 CCCN(CC)COC(=O)OC 20fba6ca2b4730d80a01c3884ceb11e4 [1,1,0,0,0,0|2,0,0]=4 2357 B11R0.134 CCCN(CF)CCC(=O)OC a4bba9a5af600e5ae933c9bf8ba35fa6 [1,1,0,0,0,0|2,0,0]=4 2358 B11R0.134 CCCN(CO)CCC(=O)OC c524c0e46071a86054ce435c7e2e980e [1,1,0,0,0,0|2,0,0]=4 2359 B11R0.134 CCC[C@@H](CC)OCC(=O)CC d34a58bacd1a0c09cce5c33867d67256 [1,1,0,0,0,0|2,0,0]=4 2360 B11R0.134 CCC[C@@H](CC)OCC(=O)NC 1fcb956cc6571c86e28f9385705dc8ee [1,1,0,0,0,0|2,0,0]=4 2361 B11R0.134 CCC[C@@H](CC)OCC(=O)OC f193c6d7918a14b57d6cb17bed25f1bd [1,1,0,0,0,0|1,0,0]=3 2362 B11R0.134 CCC[C@@H](CO)NCC(=O)CO 5b4cbfadfe1dc3de836d49ec4e450d3b [1,1,0,0,0,0|2,0,0]=4 2363 B11R0.134 CCC[C@@H](CO)NCC(=O)OC 2893a18bb06644f580ff0c1e0c0ed7c1 [1,1,0,0,0,0|2,0,0]=4 2364 B11R0.134 CCC[C@H](CO)NCC(=O)CO d9a0cce3b8d2c09cf81f9c3dcfb56c2a [1,1,0,0,0,0|2,0,0]=4 2365 B11R0.134 CCC[C@H](CO)NCC(=O)OC 0d209388a8f90bbc40a91a82bfe5cc47 [1,1,0,0,0,0|2,0,0]=4 2366 B11R0.134 CCN(CCC(=O)OC)COC c66889b3493a2cf374852f579b5afd7a [1,1,0,0,0,0|2,0,0]=4 2367 B11R0.134 CCN(CCC(=O)OC)CSC 59b15a39414f2c788586145e21d3fa2f [1,1,0,0,0,0|2,0,0]=4 2368 B11R0.134 CCN(CCCl)CCC(=O)OC b7f7d76611e2f9f3af8c901e4990c72d [1,1,0,0,0,0|2,0,0]=4 2369 B11R0.134 CCN(CCF)CCC(=O)OC 1525d7062b9da8016addf591317cad3a [1,1,0,0,0,0|2,0,0]=4 2370 B11R0.134 CCN(CCO)CCC(=O)OC 6162eab675156df088ed121e8bae08de [1,1,0,0,0,0|2,0,0]=4 2371 B11R0.134 CCN(CCS)CCC(=O)OC ddc30ddd1a5e70b4d691334d6f7e1eb6 [1,1,0,0,0,0|2,0,0]=4 2372 B11R0.143 CC(C)CC(CO)NCC(=O)O 549ebd9610bab220fefb15c495ddddab [1,1,0,0,0,0|2,0,0]=4 2373 B11R0.143 CC(C)C[C@@H](CO)NCC(=O)O a616384fef37d56d136fb0f9323d4879 [1,1,0,0,0,0|2,0,0]=4 2374 B11R0.143 CC(C)C[C@H](CO)NCC(=O)O 7e27a049ca6ea5c9a4130a0e8a319a65 [1,1,0,0,0,0|2,0,0]=4 2375 B11R0.143 CCC(CN(C)C)NCC(=O)O 87e015113387ddf458231246a794215f [1,1,0,0,0,0|2,0,0]=4 2376 B11R0.143 CCN(CCC(=O)C)CC(C)C 1a3c9af7a4d80540a18c2e0c42598785 [1,1,0,0,0,0|2,0,0]=4 2377 B11R0.143 CCN(CCC(=O)C)CC(C)O 0d47f090cb68f67e2e298fc85f09e724 [1,1,0,0,0,0|2,0,0]=4 2378 B11R0.143 CCN(CCC(=O)C)C[C@H](C)O 93cb7e71acaa344ad63e04364a513731 [1,1,0,0,0,0|2,0,0]=4 2379 B11R0.143 CCN(CCC(=O)N)CC(C)C 38923bc066e6c3a25d8b59db6a1a95b1 [1,1,0,0,0,0|2,0,0]=4 2380 B11R0.143 CCN(CCC(=O)N)CC(C)O 4809d3779657e4f0eca2436843d72ed8 [1,1,0,0,0,0|2,0,0]=4 2381 B11R0.143 CCN(CCC(=O)N)C[C@H](C)O 40f7da709a64cd028092dbe3e9de5eeb [1,1,0,0,0,0|2,0,0]=4 2382 B11R0.143 CCN(CCC(=O)O)CC(F)F 927ef3fd28dfa037aedf800dafeb114c [1,1,0,0,0,0|2,0,0]=4 2383 B11R0.143 CC[C@H](CN(C)C)OCC(=O)O beabba27af72f3f7232c060c72463229 [1,1,0,0,0,0|2,0,0]=4 2384 B11R0.146 CC(C)C(CCO)NCC(=O)O c2a9e621e4037c25bbae14b992d8f7f5 [1,1,0,0,0,0|2,0,0]=4 2385 B11R0.146 CC(C)N(CCO)CCC(=O)O 5b58c6cdb96af6ccd75973aafaf9c4da [1,1,0,0,0,0|2,0,0]=4 2386 B11R0.146 CCCC(NCC(=O)O)C(=O)C 38a764bfa7095cdd2aebb07dbcf88d6f [1,1,0,0,0,0|1,0,1]=4 2387 B11R0.146 CCCC(OCC(=O)N)C(C)C c5ddd5de59cab46ca63604dbeb8130fc [1,1,0,0,0,0|2,0,0]=4 2388 B11R0.146 CCCC(OCC(=O)O)C(=O)C 60e9344c7b88b961dd602d6c2d152bce [1,1,0,0,0,0|1,0,1]=4 2389 B11R0.146 CCCC(OCC(=O)O)C(C)C eaae88fa4807bb04e1ac109f21406eb9 [1,1,0,0,0,0|1,0,0]=3 2390 B11R0.146 CCCN(CCC(=O)C)C(C)C 510beb32fd20cf2e3a836da60d01869e [1,1,0,0,0,0|2,0,0]=4 2391 B11R0.146 CCCN(CCC(=O)N)C(C)C 4ce2285e1ceabb7d511ce2059973e0db [1,1,0,0,0,0|2,0,0]=4 2392 B11R0.146 CCCN(CCC(=O)O)C(C)C b72407f7213f4582417afa99145842fc [1,1,0,0,0,0|1,0,0]=3 2393 B11R0.146 CCN[C@@H](CCC(=O)O)C(F)F 1caca59da0c34fff7b50b60e50294f67 [1,1,0,0,0,0|2,0,0]=4 2394 B11R0.146 COCC(NCC(=O)O)C(C)C 7ab6a0b5c7849ab9982bc9d1b1391190 [1,1,0,0,0,0|2,0,0]=4 2395 B11R0.146 COC[C@@H](NCC(=O)O)C(C)C ed921de60dc3b20130c40b9b18f74d0a [1,1,0,0,0,0|2,0,0]=4 2396 B11R0.146 COC[C@H](NCC(=O)O)C(C)C f45ff7a651f7312cd1ad748f42e67026 [1,1,0,0,0,0|2,0,0]=4 2397 B11R0.185 CCCC(C)(CO)NCC(=O)O ee251b238e1e3bbb79643751bd608439 [1,1,0,0,0,0|2,0,0]=4 2398 B11R0.196 CCCC(CC)NCS(=O)(=O)O ef5c98aab5da4c3b95315bc42044d8e4 [1,1,0,0,0,0|2,0,0]=4 2399 B11R0.196 CCCN(CC)CCS(=O)(=O)O fdfd4d7bd7034c926f5137337aceb99f [1,1,0,0,0,0|2,0,0]=4 2400 B11R0.280 C=CCN(CCC)CCC(=O)O 3aca7acc33e7e12494d7fc70a2a6302c [1,1,0,0,0,0|1,0,1]=4 2401 B11R0.280 CCCC(CCC)NCC(=O)C 833da7eedffec9361c52416f77e4f958 [1,1,0,0,0,0|2,0,0]=4 2402 B11R0.280 CCCC(CCC)NCC(=O)N abddf1b51c62a4257a9823e8a2671bc9 [1,1,0,0,0,0|2,0,0]=4 2403 B11R0.280 CCCC(CCC)NCC(=O)O ffbc4fcb894c26a78f04fd5410d48350 [1,1,0,0,0,0|1,0,0]=3 2404 B11R0.280 CCCC(CCC)OCC(=O)C d732fcb25f98148e5701eb038f90c6ae [1,1,0,0,0,0|2,0,0]=4 2405 B11R0.280 CCCC(CCC)OCC(=O)N 06ba7f5102c6d14baca362d4f57c858d [1,1,0,0,0,0|2,0,0]=4 2406 B11R0.280 CCCC(CCC)OCC(=O)O 82028908e65f1789899ce56b7642c927 [1,1,0,0,0,0|1,0,0]=3 2407 B11R0.280 CCCC(CCC)OCS(=O)O 71a964b56cd44ec587dabc1d830b447a [1,1,0,0,0,0|2,0,0]=4 2408 B11R0.280 CCCC(CCO)NCC(=O)N 24a8c9206a46f40eee66faf7d40e5ad5 [1,1,0,0,0,0|2,0,0]=4 2409 B11R0.280 CCCC(CCO)NCC(=O)O a4d3cb5d04042006dd58bc379544863b [1,1,0,0,0,0|1,0,0]=3 2410 B11R0.280 CCCN(CCC)CCC(=O)C bac41b7f9a9f294c1a25c0ae4104aaea [1,1,0,0,0,0|2,0,0]=4 2411 B11R0.280 CCCN(CCC)CCC(=O)N 3d910c824eb6d2ba65cfb1402d8aa2d3 [1,1,0,0,0,0|2,0,0]=4 2412 B11R0.280 CCCN(CCC)CCC(=O)O 2fd0f8730000bf6896af941420d45315 [1,1,0,0,0,0|1,0,0]=3 2413 B11R0.280 CCCN(CCO)CCC(=O)C 769922257873b99c92a45c2169d7a631 [1,1,0,0,0,0|2,0,0]=4 2414 B11R0.280 CCCN(CCO)CCC(=O)N 150f3c3856c0bfad2d64c56590f1fc4b [1,1,0,0,0,0|2,0,0]=4 2415 B11R0.280 CCCN(CCO)CCC(=O)O a1373a0d7592da866e42114040cd727d [1,1,0,0,0,0|1,0,0]=3 2416 B11R0.280 CCNC(CCC(=O)O)CSC 95707ec4b3e320f0df72a2ed3bda9c86 [1,1,0,0,0,0|1,0,0]=3 2417 B11R0.280 COCC(CCO)NCC(=O)O be004cfa7ee7f38ca63dfb8c26e2ea0c [1,1,0,0,0,0|2,0,0]=4 2418 B11R0.280 COCC(COC)NCC(=O)O e074f63a9345168b861a9bf63c8a142a [1,1,0,0,0,0|2,0,0]=4 2419 B11R0.280 COCC(COC)OCC(=O)O ccb1fb682dd3e27c901185bae7d159de [1,1,0,0,0,0|2,0,0]=4 2420 B11R0.280 COCN(CCO)CCC(=O)O 38f1140ae4c47695a2536ed2c2a2066f [1,1,0,0,0,0|2,0,0]=4 2421 B11R0.280 CSCC(CCC(=O)O)NCF 95243edc717dda80bcd742483c940f8c [1,1,0,0,0,0|2,0,0]=4 2422 B11R0.280 CSCC(CCC(=O)O)NCO 6ea7597cbf10fe989c84dae3cc53e28c [1,1,0,0,0,0|2,0,0]=4 2423 B11R0.280 CSCN(CCO)CCC(=O)O b7e16d324f8b590bbc5cd34a0140d6e6 [1,1,0,0,0,0|2,0,0]=4 2424 B11R0.280 O=C(O)CCN(CCCl)CCCl 6a3f291992ce2f249a9ec9e78b2294bf [1,1,0,0,0,0|2,0,0]=4 2425 B11R0.280 O=C(O)CCN(CCO)CCF 9a0200caf3ba6ca0c62a0129fa7b95b2 [1,1,0,0,0,0|2,0,0]=4 2426 B11R0.280 O=C(O)CCN(CCO)CCO 00b628a5d0e5322c68a4c4dac96da590 [1,1,0,0,0,0|2,0,0]=4 2427 B11R0.280 O=C(O)CCN(CCO)CCS 1acc43c7b3e217e0b06e1a871642fa2c [1,1,0,0,0,0|2,0,0]=4 2428 B11R0.46 C#CCCCN(C)CCC(=O)O 138664b92ff51003a0aa92a31bc58f52 [1,1,0,0,0,0|1,0,1]=4 2429 B11R0.46 C#CCCNC(C)CCC(=O)O d0ded44d012477f67ee2a0ca262295ba [1,1,0,0,0,0|0,0,2]=4 2430 B11R0.46 C#CCCN[C@@H](C)CCC(=O)O 61358b631e29374bb7412e60117a38f4 [1,1,0,0,0,0|0,0,2]=4 2431 B11R0.46 C#CCCOC(C)CCC(=O)O b42ee39404928ed157fa43378b5deeb2 [1,1,0,0,0,0|0,0,2]=4 2432 B11R0.46 C/C=C/CNC(C)CCC(=O)O 1ebeb5d72e6358f9d1160048ad59ad3d [1,1,0,0,0,0|0,0,2]=4 2433 B11R0.46 C/C=C/CN[C@@H](C)CCC(=O)O c92f6dad4605249433471fe90ac1e8fd [1,1,0,0,0,0|0,0,2]=4 2434 B11R0.46 C/C=C/COC(C)CCC(=O)O 90a124574650ad5c1c3826da45f13c3f [1,1,0,0,0,0|0,0,2]=4 2435 B11R0.46 C/C=C\CNC(C)CCC(=O)O 9539909a941fa61dab2dcff3d2e82ea2 [1,1,0,0,0,0|0,0,2]=4 2436 B11R0.46 C/C=C\CN[C@@H](C)CCC(=O)O f6adfcba17b51287c950e74593cace56 [1,1,0,0,0,0|0,0,2]=4 2437 B11R0.46 C/C=C\COC(C)CCC(=O)O b7e0a1957608f6c84fc659db2a9dcd05 [1,1,0,0,0,0|0,0,2]=4 2438 B11R0.46 C=CCCCN(C)CCC(=O)O bc2e3834d31d71696289cfcfcf3fa0b0 [1,1,0,0,0,0|1,0,1]=4 2439 B11R0.46 C=CCCC[C@H](C)OCC(=O)O 7e08510543e564fde34d2d269f71cb52 [1,1,0,0,0,0|1,0,1]=4 2440 B11R0.46 C=CCCNC(C)CCC(=O)O 7ade98402aaa227191c230c8833a4b5d [1,1,0,0,0,0|0,0,2]=4 2441 B11R0.46 C=CCCN[C@@H](C)CCC(=O)O 65ef9b8a2c46de8ac0057a5941c6b7bd [1,1,0,0,0,0|0,0,2]=4 2442 B11R0.46 C=CCCOC(C)CCC(=O)O 5b27a9accfc034b3ffabfd9fe2c8c595 [1,1,0,0,0,0|0,0,2]=4 2443 B11R0.46 CC(=O)CCN(C)CCCCO 26fd59044ee384e26ead789067f1c51d [1,1,0,0,0,0|2,0,0]=4 2444 B11R0.46 CC(=O)CNC(C)CCCCO 20ffb1fecf7e2a4ccbc35d9b0eb761a2 [1,1,0,0,0,0|2,0,0]=4 2445 B11R0.46 CC(CCC(=O)O)NCCC#N e5d75b095740b4a80b3a149bb0abed05 [1,1,0,0,0,0|1,0,1]=4 2446 B11R0.46 CC(CCC(=O)O)NCCC=O c6e05b069d281f6f0174481b4a43fac7 [1,1,0,0,0,0|1,0,1]=4 2447 B11R0.46 CC(CCC(=O)O)NCCCCl 0c5726326a5ac744389838ca32f33650 [1,1,0,0,0,0|1,0,0]=3 2448 B11R0.46 CC(CCC(=O)O)NCCCF c72d9ab1b6334f56ab15801ac7c5c4eb [1,1,0,0,0,0|1,0,0]=3 2449 B11R0.46 CC(CCC(=O)O)NCCCO 9f474b864a0f9a1d6914b674e5d77698 [1,1,0,0,0,0|1,0,0]=3 2450 B11R0.46 CC(CCC(=O)O)NCCON 0c53791b7b02ec5e3daee639407a0573 [1,1,0,0,0,0|2,0,0]=4 2451 B11R0.46 CC(CCC(=O)O)OCCC#N 707de3566a3a049910dcb55d713aeef2 [1,1,0,0,0,0|1,0,1]=4 2452 B11R0.46 CC(CCC(=O)O)OCCC=O 52fa7656c31b86cc211b5c2e40656d70 [1,1,0,0,0,0|1,0,1]=4 2453 B11R0.46 CC(CCC(=O)O)OCCCF a30a71ea7c3b566a9ad3318917402b5a [1,1,0,0,0,0|1,0,0]=3 2454 B11R0.46 CC(CCC(=O)O)OCCCS 72cf467bc9040fda699004aa4e91ad77 [1,1,0,0,0,0|1,0,0]=3 2455 B11R0.46 CC(CCCCO)NCC(=O)N 6e376cd122c07e1ab62c251139e1f975 [1,1,0,0,0,0|2,0,0]=4 2456 B11R0.46 CC(CCCCO)NCC(=O)O 1e3367a2bce532bdba078601384912b2 [1,1,0,0,0,0|1,0,0]=3 2457 B11R0.46 CC/C=C/CN(C)CCC(=O)O c81a948cbd18937c8f3b740e20719612 [1,1,0,0,0,0|1,0,1]=4 2458 B11R0.46 CC=CCNC(C)CCC(=O)O cca35f31f938cde9f41396688087205c [1,1,0,0,0,0|0,0,2]=4 2459 B11R0.46 CCC#CCC(C)OCC(=O)O a05b2d5db75b275111ae8ab289a542c9 [1,1,0,0,0,0|1,0,1]=4 2460 B11R0.46 CCCCCC(C)NCC(=O)C 3b744ffccb982ef0751d36a0d377f99f [1,1,0,0,0,0|2,0,0]=4 2461 B11R0.46 CCCCCC(C)NCC(=O)N 943aae418b0f98c8aea2bcb180980244 [1,1,0,0,0,0|2,0,0]=4 2462 B11R0.46 CCCCCC(C)NCC(=O)O 1bfdcef2296e34b5c0fe308e42cf1372 [1,1,0,0,0,0|1,0,0]=3 2463 B11R0.46 CCCCCC(C)OCC(=O)C f5ec04e321ea7339d1ec164595b99541 [1,1,0,0,0,0|2,0,0]=4 2464 B11R0.46 CCCCCC(C)OCC(=O)N 336ac0942dad4ff0856fcbe92d51fa22 [1,1,0,0,0,0|2,0,0]=4 2465 B11R0.46 CCCCCC(C)OCC(=O)O 57324f0b00c57fa34b0ceda6a018e6d9 [1,1,0,0,0,0|1,0,0]=3 2466 B11R0.46 CCCCCC(C)OCS(=O)O 040abc4b4316bdad6fa921cd79346996 [1,1,0,0,0,0|2,0,0]=4 2467 B11R0.46 CCCCCN(C)CCC(=O)C 276c20c223d691194a14135a8e6444f1 [1,1,0,0,0,0|2,0,0]=4 2468 B11R0.46 CCCCCN(C)CCC(=O)N 815a7e216d799288e2a8d29eb95c2c0f [1,1,0,0,0,0|2,0,0]=4 2469 B11R0.46 CCCCCN(C)CCC(=O)O 099f3f711cc11015825f627121b0638e [1,1,0,0,0,0|1,0,0]=3 2470 B11R0.46 CCCCC[C@@H](C)OCC(=O)N 2a3d91aa30c42ab530bc4dd4180a19b7 [1,1,0,0,0,0|2,0,0]=4 2471 B11R0.46 CCCCC[C@@H](C)OCC(=O)O 977fea29395a7a8bfc512e7fc52361b2 [1,1,0,0,0,0|1,0,0]=3 2472 B11R0.46 CCCCC[C@H](C)NCC(=O)C 2180a0169e98281e3cac31743e458333 [1,1,0,0,0,0|2,0,0]=4 2473 B11R0.46 CCCCC[C@H](C)NCC(=O)N 07ee3774c382960521b38b9b0d8c3373 [1,1,0,0,0,0|2,0,0]=4 2474 B11R0.46 CCCCC[C@H](C)NCC(=O)O 0380343a2030d4f567471addb377c0f8 [1,1,0,0,0,0|1,0,0]=3 2475 B11R0.46 CCCCC[C@H](C)OCC(=O)C 96ee3e27225025e413cc06c320c2b0ba [1,1,0,0,0,0|2,0,0]=4 2476 B11R0.46 CCCCC[C@H](C)OCC(=O)N 89a03e1e6f0b96df48fdb0621fdf4258 [1,1,0,0,0,0|2,0,0]=4 2477 B11R0.46 CCCCC[C@H](C)OCC(=O)O 2b403272079d6041b1d247155ecbff7c [1,1,0,0,0,0|1,0,0]=3 2478 B11R0.46 CCCCC[C@H](C)OCS(=O)O 6303c2ae0bf865e5d2b530c2963dda2f [1,1,0,0,0,0|2,0,0]=4 2479 B11R0.46 CCCCNC(C)CCC(=O)O 25c90a2485d50f2e9558822a2afe4934 [1,1,0,0,0,0|0,0,0]=2 2480 B11R0.46 CCCCN[C@@H](C)CCC(=O)O 58abdf559e912f346c8193efceaa0201 [1,1,0,0,0,0|0,0,0]=2 2481 B11R0.46 CCCCOC(C)CCC(=O)O 650839c4954f706a638df6d6a91762ae [1,1,0,0,0,0|0,0,0]=2 2482 B11R0.46 CCCCOC(C)CNC(=O)C b006ba6bc87ed72d38af7f6433391dfe [1,1,0,0,0,0|2,0,0]=4 2483 B11R0.46 CCCCOC(C)COC(=O)C e529f8a0c758092e8a3e7cbf9deefcd3 [1,1,0,0,0,0|2,0,0]=4 2484 B11R0.46 CCCNCC(=O)CCC(=O)O 1765e3a9bf2ce3637b61aae0fa4a00d1 [1,1,0,0,0,0|1,0,1]=4 2485 B11R0.46 CCCNCC(C)COC(=O)C bd8960aa2e081cb2ff9fe077094e1214 [1,1,0,0,0,0|2,0,0]=4 2486 B11R0.46 CCCOCC(=O)CCC(=O)O 3a0909f84f436e67a4b61ebcb795da2a [1,1,0,0,0,0|1,0,1]=4 2487 B11R0.46 CCCOCC(C)COC(=O)C 92cfd9d356ad0ae9a6cdd4f2ab6bb355 [1,1,0,0,0,0|2,0,0]=4 2488 B11R0.46 CCCOCC(C)OCC(=O)N 13ca9c365d5fc4bdb14e6fb2a6476ec8 [1,1,0,0,0,0|2,0,0]=4 2489 B11R0.46 CCCOCC(C)OCC(=O)O 7c05b556f01122d11e4aa7d51baa1daa [1,1,0,0,0,0|1,0,0]=3 2490 B11R0.46 CCCOC[C@@H](C)COC(=O)C 916cbc264a611d88b2b79485849db793 [1,1,0,0,0,0|2,0,0]=4 2491 B11R0.46 CCNCCN(C)CCC(=O)O 90b07dfd4af59e43b8fddef119cb9f19 [1,1,0,0,0,0|1,0,0]=3 2492 B11R0.46 CCOCCN(C)CCC(=O)C daaeb6034b261574c30e1cb38e703246 [1,1,0,0,0,0|2,0,0]=4 2493 B11R0.46 CCOCCN(C)CCC(=O)N 0eff3512e05b39259fb693dadfacfef5 [1,1,0,0,0,0|2,0,0]=4 2494 B11R0.46 CCOCCN(C)CCC(=O)O 042f34c6daeceb24d6a73ef28f214cd8 [1,1,0,0,0,0|1,0,0]=3 2495 B11R0.46 CCOCNC(C)CCC(=O)O 2d26f6638be4c43c95b6a83698a08e90 [1,1,0,0,0,0|1,0,0]=3 2496 B11R0.46 CCOCN[C@@H](C)CCC(=O)O 733f731cb6a09ccef8fc0efb1dd2b43a [1,1,0,0,0,0|1,0,0]=3 2497 B11R0.46 CCSCCN(C)CCC(=O)N db7b07525f6a4a94c7455e9da9d49cf3 [1,1,0,0,0,0|2,0,0]=4 2498 B11R0.46 CCSCCN(C)CCC(=O)O 34a962da4d1d77f2a7def90e53625083 [1,1,0,0,0,0|1,0,0]=3 2499 B11R0.46 CN(CCCC#N)CCC(=O)O 73bb243272edbd276b697ddca13d504a [1,1,0,0,0,0|1,0,1]=4 2500 B11R0.46 CN(CCCC=O)CCC(=O)O 3f02e5fc36171de11bc4c8d948f5e1a2 [1,1,0,0,0,0|1,0,1]=4 2501 B11R0.46 CN(CCCCF)CCC(=O)N eaf846a9fd112b45baae27fc31b72a3c [1,1,0,0,0,0|2,0,0]=4 2502 B11R0.46 CN(CCCCF)CCC(=O)O 076b63b0e507ace524d2d3a6f1c52c73 [1,1,0,0,0,0|1,0,0]=3 2503 B11R0.46 CN(CCCCO)CCC(=O)N 87834823cd2be9bb31fe698cb93fd937 [1,1,0,0,0,0|2,0,0]=4 2504 B11R0.46 CN(CCCCO)CCC(=O)O 2bc2d7f7b9b8b0c02d377a30bfb30a8f [1,1,0,0,0,0|1,0,0]=3 2505 B11R0.46 CN(CCNCF)CCC(=O)O 80f3a8c32f4574ac89efe9c7b247590b [1,1,0,0,0,0|2,0,0]=4 2506 B11R0.46 CN(CCNCO)CCC(=O)O 91ba9e61a3de2678af2b73c7d46811a4 [1,1,0,0,0,0|2,0,0]=4 2507 B11R0.46 CN(CCOCF)CCC(=O)O 031719b9bf268dc7427ea3f41c9416e7 [1,1,0,0,0,0|2,0,0]=4 2508 B11R0.46 COCCCN(C)CCC(=O)C e1f37886cff4b0e3e81793c2d75afbd4 [1,1,0,0,0,0|2,0,0]=4 2509 B11R0.46 COCCCN(C)CCC(=O)N f926f05dfe4b0f54837d89649c93d3f6 [1,1,0,0,0,0|2,0,0]=4 2510 B11R0.46 COCCCN(C)CCC(=O)O 70b75de4d487adb3824c09f49b969c78 [1,1,0,0,0,0|1,0,0]=3 2511 B11R0.46 COCCNC(C)CCC(=O)O 810e9b3b63316275cb5842194f5daa2a [1,1,0,0,0,0|1,0,0]=3 2512 B11R0.46 COCCN[C@@H](C)CCC(=O)O 0acb23f64b85c0326334b65f05753ca5 [1,1,0,0,0,0|1,0,0]=3 2513 B11R0.46 COCCOC(C)CCC(=O)O 74e8f1c99a2811b17de764a240f30887 [1,1,0,0,0,0|1,0,0]=3 2514 B11R0.46 CSCCCN(C)CCC(=O)N d0435093bd996563fe3172f85e1c5721 [1,1,0,0,0,0|2,0,0]=4 2515 B11R0.46 CSCCCN(C)CCC(=O)O d98cf54c943d58150a87befbda76ca03 [1,1,0,0,0,0|1,0,0]=3 2516 B11R0.46 CSCCNC(C)CCC(=O)O b842c44677c7d221ed3979bc508d9859 [1,1,0,0,0,0|1,0,0]=3 2517 B11R0.46 CSCCN[C@@H](C)CCC(=O)O 954e936d10c49c910cf5c3b4eb88e15d [1,1,0,0,0,0|1,0,0]=3 2518 B11R0.46 CSCCOC(C)CCC(=O)O b0f83d1fc07a47f796fb6fcafc02fc20 [1,1,0,0,0,0|1,0,0]=3 2519 B11R0.46 C[C@@H](CCC(=O)O)NCCC#N 772984d734c7e239e6a3bd6992ad8eba [1,1,0,0,0,0|1,0,1]=4 2520 B11R0.46 C[C@@H](CCC(=O)O)NCCC=O 96a15778e28e2b72456755712ed24172 [1,1,0,0,0,0|1,0,1]=4 2521 B11R0.46 C[C@@H](CCC(=O)O)NCCCF 4c98ba9fbad36ec0b7f799189ec29383 [1,1,0,0,0,0|1,0,0]=3 2522 B11R0.46 C[C@@H](CCC(=O)O)NCCCO 42d62f7c0c1655845a0f648060232319 [1,1,0,0,0,0|1,0,0]=3 2523 B11R0.59 CC(CCC(=O)O)N(C)CCF 9733ea82173fb373630ff413cda47e09 [1,1,0,0,0,0|2,0,0]=4 2524 B11R0.59 CC(CCO)N(C)CCC(=O)O be2d867c2c37159911889b2c715dc1a1 [1,1,0,0,0,0|2,0,0]=4 2525 B11R0.59 CCCC(C)N(C)CCC(=O)N 01055c563721a2d9d475a79ec59553eb [1,1,0,0,0,0|2,0,0]=4 2526 B11R0.59 CCCC(C)N(C)CCC(=O)O 5324e1654cf05e56ffc354a3332fe52d [1,1,0,0,0,0|1,0,0]=3 2527 B11R0.59 CCCN(C)C(C)CCC(=O)O 3ee99fa1e6a0ccd652ed9b877e654320 [1,1,0,0,0,0|1,0,0]=3 2528 B11R0.59 COCC(C)N(C)CCC(=O)O e6afd1021820b21be38d1b883015f62c [1,1,0,0,0,0|2,0,0]=4 2529 B11R0.59 C[C@@H](CCO)N(C)CCC(=O)O 2fb5fa3f06750a39101e2bc313d0cec3 [1,1,0,0,0,0|2,0,0]=4 2530 B11R0.68 CC(CC(=O)O)N(C)CCCF 471d1122c5a45aa4e9b883be37185932 [1,1,0,0,0,0|2,0,0]=4 2531 B11R0.68 CC(CC(=O)O)N(C)CCCO 2aee3f5079280d54752dc756e160df18 [1,1,0,0,0,0|2,0,0]=4 2532 B11R0.68 CC(CC(=O)O)N(C)CCCS 3d3e4e877a19de68c14eae91bba781d7 [1,1,0,0,0,0|2,0,0]=4 2533 B11R0.68 CC(CCCO)N(C)CC(=O)O 62ef411d45b5d7ff6fc47292397389de [1,1,0,0,0,0|2,0,0]=4 2534 B11R0.68 CCCCC(C)N(C)CC(=O)N 17f57c8cb0e2ce8e1afc67d0b4d65589 [1,1,0,0,0,0|2,0,0]=4 2535 B11R0.68 CCCCC(C)N(C)CC(=O)O 317d6297cc2a175a3a30abfb22afdb78 [1,1,0,0,0,0|1,0,0]=3 2536 B11R0.68 CCCCN(C)C(C)CC(=O)O d6e8a95253405d99a911681681c184b5 [1,1,0,0,0,0|1,0,0]=3 2537 B11R0.68 CCOCN(C)C(C)CC(=O)O 4bf81982eb79b6914066c398b5e01426 [1,1,0,0,0,0|2,0,0]=4 2538 B11R0.68 COCCN(C)C(C)CC(=O)O bbd347e64e21cd5b4fd089efc9346899 [1,1,0,0,0,0|2,0,0]=4 2539 B11R0.68 CSCCN(C)C(C)CC(=O)O da0a5591de9695ba44bbef1c9918f022 [1,1,0,0,0,0|2,0,0]=4 2540 B11R0.70 C=C(CNC(C)CCCC)OC f1ef0693ccc2378f0569ea7ee0444cfe [1,1,0,0,0,0|2,0,0]=4 2541 B11R0.70 C=C(CN[C@H](C)CCCC)OC d4c520c1418ffb437f64030a39970e39 [1,1,0,0,0,0|2,0,0]=4 2542 B11R0.70 C=C(CO)CNC(C)CCCC e29ddeff862e40bae87891eb266658c1 [1,1,0,0,0,0|2,0,0]=4 2543 B11R0.70 C=C(CO)CN[C@H](C)CCCC db195244cf2cc9fa510956c1e992a34a [1,1,0,0,0,0|2,0,0]=4 2544 B11R0.70 C=C(COC(C)CCCC)OC 6b8a5e04da3dad7390ecf5e81096b57f [1,1,0,0,0,0|2,0,0]=4 2545 B11R0.70 C=C(CO[C@@H](C)CCCC)OC dc8a161de269123262deb4337a57bc2c [1,1,0,0,0,0|2,0,0]=4 2546 B11R0.70 C=C(CO[C@H](C)CCCC)OC 2ed107aae7a44e9f29385be286037f39 [1,1,0,0,0,0|2,0,0]=4 2547 B11R0.70 CC(CCCO)NCC(=O)CO 5cfbe7895f48d6795493bda78a176658 [1,1,0,0,0,0|2,0,0]=4 2548 B11R0.70 CC(CCCO)NCC(=O)NO 9a4363cef4173abcab931951cb52898d [1,1,0,0,0,0|2,0,0]=4 2549 B11R0.70 CCCCC(C)NCC(=O)CC c561f2171e24ea12ec567fc4f74e5f3c [1,1,0,0,0,0|2,0,0]=4 2550 B11R0.70 CCCCC(C)NCC(=O)CO 790473564bf1b3df6bb69086835cbd10 [1,1,0,0,0,0|1,0,0]=3 2551 B11R0.70 CCCCC(C)NCC(=O)NC 3844b5be7d553f9d3854ed30711a08a6 [1,1,0,0,0,0|2,0,0]=4 2552 B11R0.70 CCCCC(C)NCC(=O)NO e269c1513df1016deb0211389104bc26 [1,1,0,0,0,0|1,0,0]=3 2553 B11R0.70 CCCCC(C)NCC(=O)OC dea370713a261b9db8561fcfadd7d635 [1,1,0,0,0,0|1,0,0]=3 2554 B11R0.70 CCCCC(C)OCC(=O)CC 91d666f1796a689af64430251353285c [1,1,0,0,0,0|2,0,0]=4 2555 B11R0.70 CCCCC(C)OCC(=O)NC ba0fbb8b6b7dadd5d08145641a30fec5 [1,1,0,0,0,0|2,0,0]=4 2556 B11R0.70 CCCCC(C)OCC(=O)OC df4e5fb162716db8a526500670efe27c [1,1,0,0,0,0|1,0,0]=3 2557 B11R0.70 CCCCC(O)CNC(=O)CO 23ce94bd5798ad1c8f3ff6df534c98ad [1,1,0,0,0,0|2,0,0]=4 2558 B11R0.70 CCCCN(C)CCC(=O)NC 510a752b34327429c5250d8a984761de [1,1,0,0,0,0|2,0,0]=4 2559 B11R0.70 CCCCN(C)CCC(=O)OC 1ad22cd2e476c7ec72932a232e75b1de [1,1,0,0,0,0|1,0,0]=3 2560 B11R0.70 CCCCN(C)COC(=O)OC cd7d2c3f82adbaf2330dfb58647703c3 [1,1,0,0,0,0|2,0,0]=4 2561 B11R0.70 CCCC[C@@H](C)NCC(=O)CC 35325ab00544718ec7f8e316798f7adc [1,1,0,0,0,0|2,0,0]=4 2562 B11R0.70 CCCC[C@@H](C)NCC(=O)CO ab411550a427fd791d80ad8677da67b5 [1,1,0,0,0,0|1,0,0]=3 2563 B11R0.70 CCCC[C@@H](C)NCC(=O)NC 39328bc9ebcf5a9dbc5340052385ad19 [1,1,0,0,0,0|2,0,0]=4 2564 B11R0.70 CCCC[C@@H](C)NCC(=O)OC f9c205165d4d34d6b16662bb8057658f [1,1,0,0,0,0|1,0,0]=3 2565 B11R0.70 CCCC[C@@H](C)OCC(=O)CC cb52e73602982a5316a49d74e42880c1 [1,1,0,0,0,0|2,0,0]=4 2566 B11R0.70 CCCC[C@@H](C)OCC(=O)NC bbf0e2fb27d2fa12374f3696d66c9f5b [1,1,0,0,0,0|2,0,0]=4 2567 B11R0.70 CCCC[C@@H](C)OCC(=O)OC d46ed4e6b264e4da227d681e0b482c0f [1,1,0,0,0,0|1,0,0]=3 2568 B11R0.70 CCCC[C@H](C)OCC(=O)CC 3a021690484f71f44ba979115207b6b2 [1,1,0,0,0,0|2,0,0]=4 2569 B11R0.70 CCCC[C@H](C)OCC(=O)NC 624cfe9e9a16d9f6eca0a31b44929426 [1,1,0,0,0,0|2,0,0]=4 2570 B11R0.70 CCCC[C@H](C)OCC(=O)OC 005217b48658963e7d8277039bb97993 [1,1,0,0,0,0|1,0,0]=3 2571 B11R0.70 CCCNC(C)CCC(=O)OC 9f30ac298e6a52d4146f18e020d85cfd [1,1,0,0,0,0|1,0,0]=3 2572 B11R0.70 CCCOC(C)CCC(=O)OC fb37d2dab98ad3681fa9792c014dd77f [1,1,0,0,0,0|1,0,0]=3 2573 B11R0.70 CCOCC(C)OCC(=O)OC f9aa85ce6178e8e399c3fe38107a59a6 [1,1,0,0,0,0|2,0,0]=4 2574 B11R0.70 CCOCN(C)CCC(=O)OC 449f9d7482299bbb13676cc5821a0270 [1,1,0,0,0,0|2,0,0]=4 2575 B11R0.70 COC(=O)CCC(C)NCCBr 31c40bacf3b0e053881f843b8283ebf5 [1,1,0,0,0,0|2,0,0]=4 2576 B11R0.70 COC(=O)CCC(C)NCCF 3ceb606cf8829eea38c7afd061d2d143 [1,1,0,0,0,0|2,0,0]=4 2577 B11R0.70 COC(=O)CCC(C)NCCI 2e0f874037d04e6bda7716415a58e33d [1,1,0,0,0,0|2,0,0]=4 2578 B11R0.70 COC(=O)CCC(C)NCCO 061b64678cf984758823fc2903e74956 [1,1,0,0,0,0|2,0,0]=4 2579 B11R0.70 COC(=O)CCC(C)NCCS 053cb72bf5405346a63aba681c356089 [1,1,0,0,0,0|2,0,0]=4 2580 B11R0.70 COC(=O)CCC(C)OCCS 69a864be4a63ee6543597d0a4ca720b2 [1,1,0,0,0,0|2,0,0]=4 2581 B11R0.70 COC(=O)CCN(C)CCCF 97b27122c51fc28cbcfd72435740f7d3 [1,1,0,0,0,0|2,0,0]=4 2582 B11R0.70 COC(=O)CCN(C)CCCO 8a99c6040150fd047ba0dc717e7f7841 [1,1,0,0,0,0|2,0,0]=4 2583 B11R0.70 COC(=O)CCN(C)CCCS f7c63d5fe91aef3e4d99c8b33ec5231b [1,1,0,0,0,0|2,0,0]=4 2584 B11R0.70 COC(=O)CCN(C)CCSC df171317d3dc635ee34c31e275e869c6 [1,1,0,0,0,0|2,0,0]=4 2585 B11R0.70 COC(=O)CNC(C)CCCO 8ad227221676f08712df2b598c9a8466 [1,1,0,0,0,0|2,0,0]=4 2586 B11R0.70 COC(=O)CN[C@H](C)CCCO 10e667bf331193bd26e93982e0301837 [1,1,0,0,0,0|2,0,0]=4 2587 B11R0.70 COC(=O)COC(C)CCSC dda468550cfdbb3cbffb0335fe9fe317 [1,1,0,0,0,0|2,0,0]=4 2588 B11R0.70 COCCC(C)OCC(=O)OC 7fc894ff441bfae9f24ee7d5c8639cc0 [1,1,0,0,0,0|2,0,0]=4 2589 B11R0.70 COCCN(C)CCC(=O)OC 59d43145d73ad52cb671ff0346091397 [1,1,0,0,0,0|2,0,0]=4 2590 B11R0.70 COCOC(C)CCC(=O)OC 702482fadd0d4cf74a2696be73ac52d0 [1,1,0,0,0,0|2,0,0]=4 2591 B11R0.70 C[C@H](CCCO)CNC(=O)CO 5bae356ab1dc33c30828a685e21e46ff [1,1,0,0,0,0|2,0,0]=4 2592 B11R0.70 C[C@H](CCCO)NCC(=O)CO 695e7858e6535550b601fc14776390d6 [1,1,0,0,0,0|2,0,0]=4 2593 B11R0.82 CCCCC(C)NCS(=O)(=O)O 63f3c54769f2b1f236d281d49be35b5b [1,1,0,0,0,0|2,0,0]=4 2594 B11R0.82 CCCCN(C)CCS(=O)(=O)O e22439aca0dd87fcf8552364f91bafd5 [1,1,0,0,0,0|2,0,0]=4 2595 B11R0.82 CCCC[C@@H](C)NCS(=O)(=O)O b1c403bd1606a85ef38d97d824940db9 [1,1,0,0,0,0|2,0,0]=4 2596 B11R0.85 C=C(C)CCN(C)CCC(=O)O bad8a956dd9ab66fedc704936af520eb [1,1,0,0,0,0|1,0,1]=4 2597 B11R0.85 C=C(C)CNC(C)CCC(=O)O d770c48b35a6944e288910fe1e1adb50 [1,1,0,0,0,0|1,0,1]=4 2598 B11R0.85 C=C(C)CN[C@@H](C)CCC(=O)O aa37a278472f58a14aee1f475c04e15f [1,1,0,0,0,0|1,0,1]=4 2599 B11R0.85 C=C(C)COC(C)CCC(=O)O e788c4197d350de80315bc5820d22273 [1,1,0,0,0,0|1,0,1]=4 2600 B11R0.85 CC(=O)CCN(C)CCC(=O)O ccf0604ee547df957c2a5ecf84828722 [1,1,0,0,0,0|1,0,1]=4 2601 B11R0.85 CC(=O)CCN(C)CCC(C)C 248265a69dc8291432fd58ebb87dee07 [1,1,0,0,0,0|2,0,0]=4 2602 B11R0.85 CC(=O)CCN(C)CCC(C)O 2402dbf6ff4fda4b331afef2f789e44d [1,1,0,0,0,0|2,0,0]=4 2603 B11R0.85 CC(=O)CNC(C)CCC(C)C 3df8973a97db7e328873b27cec91bea0 [1,1,0,0,0,0|2,0,0]=4 2604 B11R0.85 CC(=O)COC(C)CCC(=O)O a7359b8d983481d3e4127c046af752ba [1,1,0,0,0,0|1,0,1]=4 2605 B11R0.85 CC(=O)COC(C)CCC(C)C 30ed8bf13536fc1ba09950c04b4633a7 [1,1,0,0,0,0|2,0,0]=4 2606 B11R0.85 CC(C)CCC(C)NCC(=O)N 9ab22ac5ec8922ce452bbea0f38a546d [1,1,0,0,0,0|2,0,0]=4 2607 B11R0.85 CC(C)CCC(C)NCC(=O)O f55a261811fdde29b8d6fb25b74888e7 [1,1,0,0,0,0|1,0,0]=3 2608 B11R0.85 CC(C)CCC(C)OCC(=O)N de728c1f01eb1ce5276a7c9681e6732d [1,1,0,0,0,0|2,0,0]=4 2609 B11R0.85 CC(C)CCC(C)OCC(=O)O b636f97caf878514ec37901c2ee96154 [1,1,0,0,0,0|1,0,0]=3 2610 B11R0.85 CC(C)CCC(C)OCS(=O)O a1f264ac2e40f5c09e73828e4485c363 [1,1,0,0,0,0|2,0,0]=4 2611 B11R0.85 CC(C)CCN(C)CCC(=O)N 4603e675051fd03bea1dba3a23850696 [1,1,0,0,0,0|2,0,0]=4 2612 B11R0.85 CC(C)CCN(C)CCC(=O)O 91becdb51f7ea3710cf9d0e4e820a44f [1,1,0,0,0,0|1,0,0]=3 2613 B11R0.85 CC(C)CNC(C)CCC(=O)O 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CC(CO)N[C@@H](C)CCC(=O)O d16c6e303f3b7b9cc230c93b6e5c2cec [1,1,0,0,0,0|2,0,0]=4 2647 B11R0.93 CCC(=O)CN(C)CCC(=O)O 845c0bed7c5e1e6cc29f679c13d54482 [1,1,0,0,0,0|1,0,1]=4 2648 B11R0.93 CCC(C)CC(C)NCC(=O)N 28b87fde61ad4fc84f5fff5a42be9b58 [1,1,0,0,0,0|2,0,0]=4 2649 B11R0.93 CCC(C)CC(C)NCC(=O)O 99245d4cb6eba394b062ff83d6199d2c [1,1,0,0,0,0|1,0,0]=3 2650 B11R0.93 CCC(C)CN(C)CCC(=O)N 090144bb20b5f09e826db3c46aa1c5d1 [1,1,0,0,0,0|2,0,0]=4 2651 B11R0.93 CCC(C)CN(C)CCC(=O)O 9a514751cccb1cb201f29f1f55657437 [1,1,0,0,0,0|1,0,0]=3 2652 B11R0.93 CCC(C)NC(C)CCC(=O)O a41c5f1130520b069d8bdfe6f32a314e [1,1,0,0,0,0|1,0,0]=3 2653 B11R0.93 CCC(C)N[C@@H](C)CCC(=O)O b6a47b2e8167bd27a77356cc6a9cb8a3 [1,1,0,0,0,0|1,0,0]=3 2654 B11R0.93 CCC(C)OC(C)CCC(=O)O 3c24dde73b980ee2acf3bd2d01c50deb [1,1,0,0,0,0|1,0,0]=3 2655 B11R0.93 CCC(O)CN(C)CCC(=O)C 4868d92d2d0619d02f1b83aa00c92b8f [1,1,0,0,0,0|2,0,0]=4 2656 B11R0.93 CCC(O)CN(C)CCC(=O)N 347f92957f63e3d824612f3831439b85 [1,1,0,0,0,0|2,0,0]=4 2657 B11R0.93 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0c55bb008da7a05e6d4b9c8d92a3c534 [1,1,0,0,0,0|2,0,0]=4 2690 B11R0.163 CCCCC(C)N[C@H](C)C(=O)O ff8c336f577b29aadb47a936c6a57f9a [1,1,0,0,0,0|1,0,0]=3 2691 B11R0.163 CCCCC(C)OC(C)C(=O)C 3e20f4fc3ab682640005f421c9bad07d [1,1,0,0,0,0|2,0,0]=4 2692 B11R0.163 CCCCC(C)OC(C)C(=O)N cd7dc9d53403b7368fa66ad932893310 [1,1,0,0,0,0|2,0,0]=4 2693 B11R0.163 CCCCC(C)OC(F)C(=O)N 3b8fb98cea7f7893e0b3297fd17dff81 [1,1,0,0,0,0|2,0,0]=4 2694 B11R0.163 CCCCC(C)O[C@@H](C)C(=O)N c50e7fedb2d6b29e8af0e39f7b5d2da1 [1,1,0,0,0,0|2,0,0]=4 2695 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N f658110f3b7d565bf51a0fd6b56825fc [1,1,0,0,0,0|2,0,0]=4 2696 B11R0.163 CCCCN(C)CC(=O)C(=O)O b1c24cf4d4d71682bb41599c7986d63f [1,1,0,0,0,0|1,0,1]=4 2697 B11R0.163 CCCCN(C)CC(C)C(=O)O 63f1baec53b4fe345bbe12e7eda7ef85 [1,1,0,0,0,0|1,0,0]=3 2698 B11R0.163 CCCCN(C)CC(O)C(=O)O 0e54810fac86f0f0bb0e5047571ff391 [1,1,0,0,0,0|1,0,0]=3 2699 B11R0.163 CCCCN(C)C[C@H](O)C(=O)O fd5eac6ed056427e9ac86703e2db7b28 [1,1,0,0,0,0|1,0,0]=3 2700 B11R0.163 CCCC[C@@H](C)NC(C)C(=O)C 508096b0f847bfc5a1386656289d8591 [1,1,0,0,0,0|2,0,0]=4 2701 B11R0.163 CCCC[C@@H](C)NC(C)C(=O)N fdb90397ce78b83ad6843da69cfb3f85 [1,1,0,0,0,0|2,0,0]=4 2702 B11R0.163 CCCC[C@@H](C)NC(C)C(=O)O 5ddc4611fb5ea16d204fd099e89a5629 [1,1,0,0,0,0|1,0,0]=3 2703 B11R0.163 CCCC[C@@H](C)NC(F)C(=O)N c60912388939ba039a5fc71866500e22 [1,1,0,0,0,0|2,0,0]=4 2704 B11R0.163 CCCC[C@@H](C)N[C@@H](C)C(=O)N 9297c07994c24a3886a72512c777c2a7 [1,1,0,0,0,0|2,0,0]=4 2705 B11R0.163 CCCC[C@@H](C)N[C@@H](C)C(=O)O 4344ee6914c0b51b37a7b57371781b62 [1,1,0,0,0,0|1,0,0]=3 2706 B11R0.163 CCCC[C@@H](C)N[C@H](C)C(=O)N 2715dbd159c0c4f9bcde591f9761d2df [1,1,0,0,0,0|2,0,0]=4 2707 B11R0.163 CCCC[C@@H](C)N[C@H](C)C(=O)O 4b29f0f4dbe8bf6c2ae1fbf3e9014f6b [1,1,0,0,0,0|1,0,0]=3 2708 B11R0.163 CCCC[C@@H](C)OC(C)C(=O)C 32aa7c49bc1e2faa901595e7d979fad1 [1,1,0,0,0,0|2,0,0]=4 2709 B11R0.163 CCCC[C@@H](C)OC(C)C(=O)N 5ae714f8920bd760fabecad670ab5ce0 [1,1,0,0,0,0|2,0,0]=4 2710 B11R0.163 CCCC[C@@H](C)OC(F)C(=O)N 8a0306cb9df19799445800854a34dea6 [1,1,0,0,0,0|2,0,0]=4 2711 B11R0.163 CCCC[C@@H](C)O[C@@H](C)C(=O)N a8b7502270f843da670f2f81edfabbe9 [1,1,0,0,0,0|2,0,0]=4 2712 B11R0.163 CCCC[C@@H](C)O[C@H](C)C(=O)N 45af82817b9dc196de61e40f83a7aa22 [1,1,0,0,0,0|2,0,0]=4 2713 B11R0.163 CCCC[C@H](C)OC(C)C(=O)C 4dd7572b8c4abd8660280c6ec20486e0 [1,1,0,0,0,0|2,0,0]=4 2714 B11R0.163 CCCC[C@H](C)OC(C)C(=O)N 0bf86bbf0bfc5655e8879f23a7ce4794 [1,1,0,0,0,0|2,0,0]=4 2715 B11R0.163 CCCC[C@H](C)OC(F)C(=O)N 72534eb88108b6f942959ab59a8ba541 [1,1,0,0,0,0|2,0,0]=4 2716 B11R0.163 CCCC[C@H](C)O[C@@H](C)C(=O)N 0b34fecb28da9696ccade4b192f1b8a1 [1,1,0,0,0,0|2,0,0]=4 2717 B11R0.163 CCCC[C@H](C)O[C@H](C)C(=O)N e19e43127c267944e96a22b541cc8cee [1,1,0,0,0,0|2,0,0]=4 2718 B11R0.163 CCOCN(C)C[C@H](O)C(=O)O 11f33ce2607d460b5ec59ffdf7fcf97e [1,1,0,0,0,0|2,0,0]=4 2719 B11R0.163 CN(CCCF)C[C@H](O)C(=O)O 2f3fb6a8aa2c987020c14dc10be4cef8 [1,1,0,0,0,0|2,0,0]=4 2720 B11R0.163 CN(CCCO)CC(O)C(=O)O 547000449cd1f4d189e6c6fa99f59c23 [1,1,0,0,0,0|2,0,0]=4 2721 B11R0.163 CN(CCCO)C[C@H](O)C(=O)O 6538de8e8fccae7d846b57cce2b823fd [1,1,0,0,0,0|2,0,0]=4 2722 B11R0.163 CN(CCCS)C[C@H](O)C(=O)O bc1e440a5e33db316d80b7758594f35d [1,1,0,0,0,0|2,0,0]=4 2723 B11R0.163 COCCN(C)CC(C)C(=O)O 973af07ae77eecf5a397c34fd24b1ff8 [1,1,0,0,0,0|2,0,0]=4 2724 B11R0.163 COCCN(C)C[C@H](O)C(=O)O b7da099e7820ea6de764eec44573dc74 [1,1,0,0,0,0|2,0,0]=4 2725 B11R0.163 CSCCN(C)CC(C)C(=O)O 0b1d040e9c0690e46d4c210ba86f83c2 [1,1,0,0,0,0|2,0,0]=4 2726 B11R0.163 CSCCN(C)C[C@H](O)C(=O)O d7adc71ff96f32aa6c2622ddadc9a66a [1,1,0,0,0,0|2,0,0]=4 2727 B11R0.219 CC(C)(CCC(=O)O)NCCF 4e908c7f45479c54758def4fdeb5f121 [1,1,0,0,0,0|2,0,0]=4 2728 B11R0.219 CC(C)(CCC(=O)O)NCCO 2855612c6a9dd9521b25168e9896712e [1,1,0,0,0,0|2,0,0]=4 2729 B11R0.219 CC(C)(CCC(=O)O)NCCS 9bec273aeca96b7cbc7e75f825353fb3 [1,1,0,0,0,0|2,0,0]=4 2730 B11R0.219 CC(C)(CCCO)NCC(=O)O 50ba8d91d338b89a478c49a824bf50d9 [1,1,0,0,0,0|2,0,0]=4 2731 B11R0.219 CCCNC(C)(C)CCC(=O)O 47e80a81adbd480af1488dc9781a4cb1 [1,1,0,0,0,0|1,0,0]=3 2732 B11R0.219 CCOCC(C)(C)NCC(=O)O 8ed94bd3e4e6ec008334119072fcc3fb [1,1,0,0,0,0|2,0,0]=4 2733 B11R0.219 CCSCC(C)(C)NCC(=O)O cc39fd990b5458ad1f3d6d33c49c0ec3 [1,1,0,0,0,0|2,0,0]=4 2734 B11R0.219 COCNC(C)(C)CCC(=O)O 278623b148c4ea1508ccf36fac728025 [1,1,0,0,0,0|2,0,0]=4 2735 B11R0.219 CSCCC(C)(C)NCC(=O)O 8642f509fa7afb4cd611880f8f2e493c [1,1,0,0,0,0|2,0,0]=4 2736 B11R0.219 CSCNC(C)(C)CCC(=O)O 645cffe5f646ecb2572b4db56ae57ec9 [1,1,0,0,0,0|2,0,0]=4 2737 B11R0.47 C#CCN(CCCC)CC(=O)O acfe4afb127e410069905de8b0778503 [0,1,0,0,1,0|1,0,1]=4 2738 B11R0.47 C=CCC(CC(=O)O)NCCC 700eb874386aa4135cccb5382c3c5a13 [0,1,0,0,1,0|1,0,1]=4 2739 B11R0.47 C=CCN(CCCC)CC(=O)O bce177e684ce20b3a988b499c2e6245f [0,1,0,0,1,0|1,0,1]=4 2740 B11R0.47 CCCC(CC(=O)O)NCCF 165bb54ad864d2e2a9c6e858c7d34fff [0,1,0,0,1,0|2,0,0]=4 2741 B11R0.47 CCCC(CC(=O)O)NCCO bda8cbde62224f90e3f67f5ffc534cd4 [0,1,0,0,1,0|2,0,0]=4 2742 B11R0.47 CCCC(CC(=O)O)NCCS 8b42dfb4f08c6479b4775e1920edf6d8 [0,1,0,0,1,0|2,0,0]=4 2743 B11R0.47 CCCC(CC(=O)O)NCOC 3f96fc059bfa31e60a7bb4adf7c0d005 [0,1,0,0,1,0|2,0,0]=4 2744 B11R0.47 CCCC(CC(=O)O)NCSC f1b26c3247bda63ce14a2e0c42c2f121 [0,1,0,0,1,0|2,0,0]=4 2745 B11R0.47 CCCC(CC(=O)O)OCCF 438a8c16af05e6b8fac58c66c2723b18 [0,1,0,0,1,0|2,0,0]=4 2746 B11R0.47 CCCC(CC(=O)O)OCCS 240762044762d0c84370748abfa928bc [0,1,0,0,1,0|2,0,0]=4 2747 B11R0.47 CCCC(CC(=O)O)OCOC 051928c9445eaa565c92055bdb4e779f [0,1,0,0,1,0|2,0,0]=4 2748 B11R0.47 CCCC(CC(=O)O)OCSC 5a874a3ad38e25739da4d3d4dd201577 [0,1,0,0,1,0|2,0,0]=4 2749 B11R0.47 CCCCC(CC(=O)O)NCC 8a85c13a91c6cd94a1254c9c64661abe [0,1,0,0,1,0|0,0,0]=2 2750 B11R0.47 CCCCC(CC(=O)O)NCF c150e610f9bb7aeb0351eb995e13a035 [0,1,0,0,1,0|1,0,0]=3 2751 B11R0.47 CCCCC(CC(=O)O)NCO 1994043ac0d1bca12ac90075e7dd5f80 [0,1,0,0,1,0|1,0,0]=3 2752 B11R0.47 CCCCC(CC(=O)O)OCC 20059e716c9b550bdb3e85c29a7820da [0,1,0,0,1,0|0,0,0]=2 2753 B11R0.47 CCCCC(CC(=O)O)OCF 8f087b450f7aac39cec3cfb4d818fe0d [0,1,0,0,1,0|1,0,0]=3 2754 B11R0.47 CCCCN(CC#N)CC(=O)O 91c2e8ec5dcea90959704b2bd6f50d92 [0,1,0,0,1,0|1,0,1]=4 2755 B11R0.47 CCCCN(CC=O)CC(=O)O eb501f355d37ea7ec1904c9335cda52b [0,1,0,0,1,0|1,0,1]=4 2756 B11R0.47 CCCCN(CCC)CC(=O)N 68a70bcad13c9928d3213404f5edd7b3 [0,1,0,0,1,0|2,0,0]=4 2757 B11R0.47 CCCCN(CCC)CC(=O)O 728ee2c156068c99cde48546186571f9 [0,1,0,0,1,0|1,0,0]=3 2758 B11R0.47 CCCCN(CCF)CC(=O)O f1bad0d925803895a237124c329df161 [0,1,0,0,1,0|1,0,0]=3 2759 B11R0.47 CCCCN(CCO)CC(=O)N dfaef39c3905fd12c4d488e03608baab [0,1,0,0,1,0|2,0,0]=4 2760 B11R0.47 CCCCN(CCO)CC(=O)O 259a471c14351180f2a9b6fed806afae [0,1,0,0,1,0|1,0,0]=3 2761 B11R0.47 CCCCN(CCS)CC(=O)N afe2e36422b77ac7d45cb8ab5c100c8b [0,1,0,0,1,0|2,0,0]=4 2762 B11R0.47 CCCCN(CCS)CC(=O)O 18c59ffbc1cceacceaa44e81ee5df9c4 [0,1,0,0,1,0|1,0,0]=3 2763 B11R0.47 CCCCN(COC)CC(=O)O b7cccb2a701d8a3e24daf864c390be43 [0,1,0,0,1,0|1,0,0]=3 2764 B11R0.47 CCCCN(CSC)CC(=O)O 4d841f02ca9de4680491b17a9ed9dfc3 [0,1,0,0,1,0|1,0,0]=3 2765 B11R0.47 CCCN(CCCF)CC(=O)O 852d49f20752ebaee4f71b75f8a6f464 [0,1,0,0,1,0|2,0,0]=4 2766 B11R0.47 CCCN(CCCO)CC(=O)O 102af7f017b3b0aedbd97d9b8fee7496 [0,1,0,0,1,0|2,0,0]=4 2767 B11R0.47 CCCN(CCCS)CC(=O)O 43e8827cb8d689f5a9c6e73731392bd9 [0,1,0,0,1,0|2,0,0]=4 2768 B11R0.47 CCCN(CCOC)CC(=O)O a8d5c2d8092317922edb78f28a6d9c2b [0,1,0,0,1,0|2,0,0]=4 2769 B11R0.47 CCCN(CCSC)CC(=O)O 0f13449483121cb3d062b765649138ed [0,1,0,0,1,0|2,0,0]=4 2770 B11R0.47 CCCN(COCC)CC(=O)O 92ae73f6e1b28aebd78f50527a0f2079 [0,1,0,0,1,0|2,0,0]=4 2771 B11R0.47 CCCNC(CCC)CC(=O)O da2bc4f44e9ff3651d72c9ce63a08fcc [0,1,0,0,1,0|1,0,0]=3 2772 B11R0.47 CCCN[C@@H](CCC)CC(=O)O 452eec214f97b14ded4bed12ff24fa9b [0,1,0,0,1,0|1,0,0]=3 2773 B11R0.47 CCCOC(CCC)CC(=O)O d7d8def0439e966669fcdb77579c0258 [0,1,0,0,1,0|1,0,0]=3 2774 B11R0.47 CCC[C@@H](CC(=O)O)NCCF 7d5f12bc751bfa23e328533a3fdcc375 [0,1,0,0,1,0|2,0,0]=4 2775 B11R0.47 CCC[C@@H](CC(=O)O)NCCO 3417bcc0984ab4f2bb6c9eeac4093b55 [0,1,0,0,1,0|2,0,0]=4 2776 B11R0.47 CCC[C@@H](CC(=O)O)NCCS 2849f94aa0a3ca7c8a21ef554bf9a296 [0,1,0,0,1,0|2,0,0]=4 2777 B11R0.47 CCC[C@@H](CC(=O)O)NCOC 9f0cae924b75381ee83ed449de85fb4a [0,1,0,0,1,0|2,0,0]=4 2778 B11R0.47 CCC[C@@H](CC(=O)O)NCSC 77fb06b97a829941d4848d8ab01850c3 [0,1,0,0,1,0|2,0,0]=4 2779 B11R0.47 CCNC(CCSC)CC(=O)O 4ab7c191e404b93963e4bf07c0e3c77e [0,1,0,0,1,0|1,0,0]=3 2780 B11R0.47 CCN[C@@H](CCSC)CC(=O)O f1de15c4fe0764e1eb24a667ad4049ed [0,1,0,0,1,0|1,0,0]=3 2781 B11R0.47 CCN[C@H](CCSC)CC(=O)O 36841bde4d429e379882da0d3afe9db9 [0,1,0,0,1,0|1,0,0]=3 2782 B11R0.47 CCOCN(CCO)CC(=O)O c620394c286fcf5e8e1a92c15cbd0e71 [0,1,0,0,1,0|2,0,0]=4 2783 B11R0.47 COCCN(CCF)CC(=O)O fb0f4a9ae38ba1eebad12f3b8402e5b3 [0,1,0,0,1,0|2,0,0]=4 2784 B11R0.47 COCCN(CCO)CC(=O)O a3dac81bf5d27902fbe96ebe06bb987f [0,1,0,0,1,0|2,0,0]=4 2785 B11R0.47 COCCN(CCS)CC(=O)O ca8184f9bd14f03b8dc5468e88c9e0a3 [0,1,0,0,1,0|2,0,0]=4 2786 B11R0.47 COCCN(COC)CC(=O)O f701bc335aa0cbd66167981ee96d9ee5 [0,1,0,0,1,0|2,0,0]=4 2787 B11R0.47 COCCN(CSC)CC(=O)O e3db9c0ed6c08473833d788473e52b9a [0,1,0,0,1,0|2,0,0]=4 2788 B11R0.47 CSCCC(CC(=O)O)NCF 6a083a3e36ccb0c9278e694c86fb0edd [0,1,0,0,1,0|2,0,0]=4 2789 B11R0.47 CSCCC(CC(=O)O)NCO 65d6c917775b5e7778c70023586f820b [0,1,0,0,1,0|2,0,0]=4 2790 B11R0.47 CSCCN(CCO)CC(=O)O d764e6e86daa684cc6fce02bc32c7808 [0,1,0,0,1,0|2,0,0]=4 2791 B11R0.47 CSCC[C@@H](CC(=O)O)NCF e1ce986f2f0df26bd9de089e3c4ddb75 [0,1,0,0,1,0|2,0,0]=4 2792 B11R0.47 CSCC[C@@H](CC(=O)O)NCO fc93cb50caad8a19307a4fd1724a15ea [0,1,0,0,1,0|2,0,0]=4 2793 B11R0.47 CSCC[C@H](CC(=O)O)NCF b5de1b1a1075fb99f368b8ca5dd6a596 [0,1,0,0,1,0|2,0,0]=4 2794 B11R0.47 CSCC[C@H](CC(=O)O)NCO 79b9673e1684ee6e79c7e4e2da1b56d5 [0,1,0,0,1,0|2,0,0]=4 2795 B11R0.47 O=C(O)CN(CCO)CCCF dcff7016fe53b999630ce04ebe4e92ef [0,1,0,0,1,0|2,0,0]=4 2796 B11R0.47 O=C(O)CN(CCO)CCCO e2279eb2c7882ef3e3cf0fa7092934d4 [0,1,0,0,1,0|2,0,0]=4 2797 B11R0.47 O=C(O)CN(CCO)CCCS 71f9903cc732f6581d459ab9f0ce9ff5 [0,1,0,0,1,0|2,0,0]=4 2798 B11R0.56 CCC(CC(=O)O)N(C)CCF 73ac4175ccda52865a51cf1c3d39ab00 [0,1,0,0,1,0|2,0,0]=4 2799 B11R0.56 CCC(CC(=O)O)N(C)CCO ebaaa5a74b885d82e70dda16b0dff276 [0,1,0,0,1,0|2,0,0]=4 2800 B11R0.56 CCC(CC(=O)O)N(C)CCS f3e2a5ccc70caaa702c1c19405f86204 [0,1,0,0,1,0|2,0,0]=4 2801 B11R0.56 CCC(CC(=O)O)N(C)COC 33dab006c37766d2c734ca2f754d3b8f [0,1,0,0,1,0|2,0,0]=4 2802 B11R0.56 CCC(CC(=O)O)N(C)CSC 73a2a58e4c2091132e786d3c10655a0f [0,1,0,0,1,0|2,0,0]=4 2803 B11R0.56 CCCC(C)N(CC)CC(=O)O 820e497c58706471e6bac5c6ecb0cdde [0,1,0,0,1,0|1,0,0]=3 2804 B11R0.56 CCCN(C)C(CC)CC(=O)O 6fb5a5b2eb27bdab3549077bf8f0ed80 [0,1,0,0,1,0|1,0,0]=3 2805 B11R0.56 CCN(CC(=O)O)C(C)CCO 91102cef2f09220ded38cfddcc3b11cc [0,1,0,0,1,0|2,0,0]=4 2806 B11R0.56 CCN(CC(=O)O)C(C)COC 0364f51a95b5311e379099fe3fe90bc8 [0,1,0,0,1,0|2,0,0]=4 2807 B11R0.77 C#CCCCN(CC)CC(=O)O 526a95111904d9fe31837dfd702c3d49 [0,1,0,0,1,0|1,0,1]=4 2808 B11R0.77 C#CCCNC(CC)CC(=O)O 685c33aae010a5468f7aa1e7aeff8e83 [0,1,0,0,1,0|0,0,2]=4 2809 B11R0.77 C#CCCN[C@@H](CC)CC(=O)O d680bbecc1e990e5a4503e9e5e6f5c67 [0,1,0,0,1,0|0,0,2]=4 2810 B11R0.77 C#CCCN[C@H](CC)CC(=O)O 4419f9911b14d46634ad001f4e6370a6 [0,1,0,0,1,0|0,0,2]=4 2811 B11R0.77 C#CCCOC(CC)CC(=O)O d6a06ee79a8fde71a1ac1163c33bb9be [0,1,0,0,1,0|0,0,2]=4 2812 B11R0.77 C#CCCO[C@@H](CC)CC(=O)O 4194806e5ac50a1ead8cd5e63f6b6637 [0,1,0,0,1,0|0,0,2]=4 2813 B11R0.77 C#CCCO[C@H](CC)CC(=O)O 5907cc093b5428efaaeb5526a5813620 [0,1,0,0,1,0|0,0,2]=4 2814 B11R0.77 C/C=C/CNC(CC)CC(=O)O bd01f73fb26992cb36ed3fe38fed265f [0,1,0,0,1,0|0,0,2]=4 2815 B11R0.77 C/C=C/CN[C@@H](CC)CC(=O)O 986290efdca3a46e20a3504588ced2ee [0,1,0,0,1,0|0,0,2]=4 2816 B11R0.77 C/C=C/CN[C@H](CC)CC(=O)O b4c4f735443251471f375da8b998342e [0,1,0,0,1,0|0,0,2]=4 2817 B11R0.77 C/C=C/COC(CC)CC(=O)O ad7717f3b76ddd53321dddf941c23ba8 [0,1,0,0,1,0|0,0,2]=4 2818 B11R0.77 C/C=C/CO[C@@H](CC)CC(=O)O bdff041e1a921c6ba6548294b8a24abe [0,1,0,0,1,0|0,0,2]=4 2819 B11R0.77 C/C=C/CO[C@H](CC)CC(=O)O 54a05b0529947d456e9cb3055d7a0397 [0,1,0,0,1,0|0,0,2]=4 2820 B11R0.77 C/C=C\CNC(CC)CC(=O)O 62fdcce538b2601c0e2c7f029f0c3c07 [0,1,0,0,1,0|0,0,2]=4 2821 B11R0.77 C/C=C\CN[C@@H](CC)CC(=O)O eae434c4efcab757ee978e01561b5693 [0,1,0,0,1,0|0,0,2]=4 2822 B11R0.77 C/C=C\CN[C@H](CC)CC(=O)O 7c065020983192e7936897e93fce4c5e [0,1,0,0,1,0|0,0,2]=4 2823 B11R0.77 C/C=C\COC(CC)CC(=O)O 058d127907c8051d2df776d5d252c75b [0,1,0,0,1,0|0,0,2]=4 2824 B11R0.77 C/C=C\CO[C@@H](CC)CC(=O)O 14ae5777c5b6e49e457f05f0f4d0b69d [0,1,0,0,1,0|0,0,2]=4 2825 B11R0.77 C/C=C\CO[C@H](CC)CC(=O)O 59cec474b434b70449685d7d21a55b78 [0,1,0,0,1,0|0,0,2]=4 2826 B11R0.77 C=CCCCN(CC)CC(=O)O 683829c60cc0d79f5a104b67cb570010 [0,1,0,0,1,0|1,0,1]=4 2827 B11R0.77 C=CCCNC(CC)CC(=O)O 787232621ce4af24fc6cc7158b696c6e [0,1,0,0,1,0|0,0,2]=4 2828 B11R0.77 C=CCCN[C@@H](CC)CC(=O)O 9823ca1fa3eb906492c6edd44fee9133 [0,1,0,0,1,0|0,0,2]=4 2829 B11R0.77 C=CCCN[C@H](CC)CC(=O)O 86de3dd7bfdb6ed82d8e9660ae36406f [0,1,0,0,1,0|0,0,2]=4 2830 B11R0.77 C=CCCOC(CC)CC(=O)O cef2c6994a18bcfac5ca4eebb038c253 [0,1,0,0,1,0|0,0,2]=4 2831 B11R0.77 C=CCCO[C@@H](CC)CC(=O)O e86dd701dbad197948f88f398afee201 [0,1,0,0,1,0|0,0,2]=4 2832 B11R0.77 C=CCCO[C@H](CC)CC(=O)O 3602d5efc073df4e4940fc0e9b2ecce7 [0,1,0,0,1,0|0,0,2]=4 2833 B11R0.77 CC/C=C/CN(CC)CC(=O)O 19a5b428199ed56d11664795a759eb19 [0,1,0,0,1,0|1,0,1]=4 2834 B11R0.77 CCC(CC(=O)O)NCCC#N 0ee531d40736bf0ad24f459072c90043 [0,1,0,0,1,0|1,0,1]=4 2835 B11R0.77 CCC(CC(=O)O)NCCC=O 49d7d8e8eb132c75f7c4e9ba2b8be513 [0,1,0,0,1,0|1,0,1]=4 2836 B11R0.77 CCC(CC(=O)O)NCCCF 8c0b3303f6ca77d7a45ea1c371a5e164 [0,1,0,0,1,0|1,0,0]=3 2837 B11R0.77 CCC(CC(=O)O)NCCCO 56d071cfa8c67e125e7f68ab76459c3f [0,1,0,0,1,0|1,0,0]=3 2838 B11R0.77 CCC(CC(=O)O)NCCCS d819383fa5f09c239bd4d5e41534aed2 [0,1,0,0,1,0|1,0,0]=3 2839 B11R0.77 CCC(CC(=O)O)NCCOC 5186b4c09d011af265001d7ba15ae4e1 [0,1,0,0,1,0|1,0,0]=3 2840 B11R0.77 CCC(CC(=O)O)NCCSC 682440ca2218e8e73440e4d9201b2ac3 [0,1,0,0,1,0|1,0,0]=3 2841 B11R0.77 CCC(CC(=O)O)OCCC#N b6381fba877d287360c36e79382172c7 [0,1,0,0,1,0|1,0,1]=4 2842 B11R0.77 CCC(CC(=O)O)OCCC=O 59507c3ceed436438205b10fe2ee233d [0,1,0,0,1,0|1,0,1]=4 2843 B11R0.77 CCC(CC(=O)O)OCCCF 508854d43ccd86e5a028a9bf1ea1475a [0,1,0,0,1,0|1,0,0]=3 2844 B11R0.77 CCC(CC(=O)O)OCCCS f194529b86e310823c853a7df9171ff7 [0,1,0,0,1,0|1,0,0]=3 2845 B11R0.77 CCC(CC(=O)O)OCCOC b6d3e482d3aaeb063580e11494e8dad4 [0,1,0,0,1,0|1,0,0]=3 2846 B11R0.77 CCC(CC(=O)O)OCCSC 3828f87376da6a70460a570f8b3a3726 [0,1,0,0,1,0|1,0,0]=3 2847 B11R0.77 CCCCCN(CC)CC(=O)N 429c65343f3a5c47743ce5bcc9b9bfeb [0,1,0,0,1,0|2,0,0]=4 2848 B11R0.77 CCCCCN(CC)CC(=O)O eab17f4c2658f18e5aeae023d3f4b139 [0,1,0,0,1,0|1,0,0]=3 2849 B11R0.77 CCCCNC(CC)CC(=O)O 6678af0e99e2c35122edbd53f3e35605 [0,1,0,0,1,0|0,0,0]=2 2850 B11R0.77 CCCCNC(CO)CC(=O)O 75a86bd5e04d598c2b9404ce7777ada1 [0,1,0,0,1,0|1,0,0]=3 2851 B11R0.77 CCCCN[C@@H](CC)CC(=O)O e9b7b5ee9c8520ad73e4c8d9c0623f20 [0,1,0,0,1,0|0,0,0]=2 2852 B11R0.77 CCCCN[C@@H](CO)CC(=O)O 1c13cf3c93a75f0548135a90cedaa528 [0,1,0,0,1,0|1,0,0]=3 2853 B11R0.77 CCCCN[C@H](CC)CC(=O)O 42b52a9f27bea87707073ba9e909d26c [0,1,0,0,1,0|0,0,0]=2 2854 B11R0.77 CCCCN[C@H](CO)CC(=O)O ab0071a15381303822f5cd84af9309c5 [0,1,0,0,1,0|1,0,0]=3 2855 B11R0.77 CCCCOC(CC)CC(=O)O 5cc4e69f01921f0191adf4adb2c3f9d1 [0,1,0,0,1,0|0,0,0]=2 2856 B11R0.77 CCCCO[C@@H](CC)CC(=O)O c18f872d8dbcb395ca639f808582df7d [0,1,0,0,1,0|0,0,0]=2 2857 B11R0.77 CCCCO[C@H](CC)CC(=O)O f725eb4c8ee14481054b6ac852b5f23e [0,1,0,0,1,0|0,0,0]=2 2858 B11R0.77 CCCOC[C@H](CC)NC(=O)C ad445f96373d8fc68f8580ca043d86e8 [0,1,0,0,1,0|2,0,0]=4 2859 B11R0.77 CCN(CCCC#N)CC(=O)O dc42fb1eaeb60b8f34e880fde9be49ad [0,1,0,0,1,0|1,0,1]=4 2860 B11R0.77 CCN(CCCC=O)CC(=O)O 0ea711f3435cd2bee5ab426c0333957b [0,1,0,0,1,0|1,0,1]=4 2861 B11R0.77 CCN(CCCCF)CC(=O)O 570eaf1bc08fee01cdd17ca1d2636635 [0,1,0,0,1,0|1,0,0]=3 2862 B11R0.77 CCN(CCCCO)CC(=O)N a1cfab9e5b8d45829a23f8c8f46dbd34 [0,1,0,0,1,0|2,0,0]=4 2863 B11R0.77 CCN(CCCCO)CC(=O)O 6311fbed972981883395fa879498735a [0,1,0,0,1,0|1,0,0]=3 2864 B11R0.77 CCN(CCCOC)CC(=O)N 407dc563e9c91913aeab96e24fccc009 [0,1,0,0,1,0|2,0,0]=4 2865 B11R0.77 CCN(CCCOC)CC(=O)O 370eebd2486bbbdd6d717c9c530937b3 [0,1,0,0,1,0|1,0,0]=3 2866 B11R0.77 CCN(CCCSC)CC(=O)O 3cfcd9f9d78dfae3620e647192d1f0a9 [0,1,0,0,1,0|1,0,0]=3 2867 B11R0.77 CCOCCN(CC)CC(=O)N c5649663f56ab84d99c24d56e05fa665 [0,1,0,0,1,0|2,0,0]=4 2868 B11R0.77 CCOCCN(CC)CC(=O)O 85e7261bf1f08b2ba552fbf1553c930a [0,1,0,0,1,0|1,0,0]=3 2869 B11R0.77 CCOCNC(CC)CC(=O)O c3b22b087943abd7b0a1811c2880c9d7 [0,1,0,0,1,0|1,0,0]=3 2870 B11R0.77 CCOCNC(CO)CC(=O)O 770de72dfc721a63cfd39431ae498fe5 [0,1,0,0,1,0|2,0,0]=4 2871 B11R0.77 CCOCN[C@@H](CC)CC(=O)O dcd25b084a5655d000f0fd6bb95bd11f [0,1,0,0,1,0|1,0,0]=3 2872 B11R0.77 CCOCN[C@@H](CO)CC(=O)O 4e7a742d4082bb0239bd9c103449dc72 [0,1,0,0,1,0|2,0,0]=4 2873 B11R0.77 CCOCN[C@H](CC)CC(=O)O 9e78f860d2d0ba595a9d79967dd9ff8f [0,1,0,0,1,0|1,0,0]=3 2874 B11R0.77 CCOCN[C@H](CO)CC(=O)O 91935420890a2eab35631052ad44ef34 [0,1,0,0,1,0|2,0,0]=4 2875 B11R0.77 CCSCCN(CC)CC(=O)O 3e5ed73c6abe5b7d68593f469151ae3d [0,1,0,0,1,0|1,0,0]=3 2876 B11R0.77 CC[C@@H](CC(=O)O)NCCC#N af4914e408cd68ce2b6756fdad4bea26 [0,1,0,0,1,0|1,0,1]=4 2877 B11R0.77 CC[C@@H](CC(=O)O)NCCC=O d018d6b6b0af141ffb871f940e2a31c8 [0,1,0,0,1,0|1,0,1]=4 2878 B11R0.77 CC[C@@H](CC(=O)O)NCCCF 9769c713bc3dc57a01602e079b883e2c [0,1,0,0,1,0|1,0,0]=3 2879 B11R0.77 CC[C@@H](CC(=O)O)NCCCO 8971f31aad9d3b4d49a10f2619abba61 [0,1,0,0,1,0|1,0,0]=3 2880 B11R0.77 CC[C@@H](CC(=O)O)NCCCS 3616b41fbfd303fb99c89727173da89a [0,1,0,0,1,0|1,0,0]=3 2881 B11R0.77 CC[C@@H](CC(=O)O)NCCOC db336a0d05b0c988febadf97e7655845 [0,1,0,0,1,0|1,0,0]=3 2882 B11R0.77 CC[C@@H](CC(=O)O)NCCSC 70ed0f3f8a710111a95c3c4ef1af3ba4 [0,1,0,0,1,0|1,0,0]=3 2883 B11R0.77 CC[C@@H](CC(=O)O)OCCC#N c51f777405f3de1b479b985eb4c84c87 [0,1,0,0,1,0|1,0,1]=4 2884 B11R0.77 CC[C@@H](CC(=O)O)OCCC=O d198f89cd0b1bcd9ddba547b878f9def [0,1,0,0,1,0|1,0,1]=4 2885 B11R0.77 CC[C@@H](CC(=O)O)OCCCF e16e3ba3670551f5bb68ff880ce8e654 [0,1,0,0,1,0|1,0,0]=3 2886 B11R0.77 CC[C@@H](CC(=O)O)OCCCS 127cfdefdb654741e626093ff84d23dc [0,1,0,0,1,0|1,0,0]=3 2887 B11R0.77 CC[C@@H](CC(=O)O)OCCOC 75b94823b28df2e5b11f16f80b14c070 [0,1,0,0,1,0|1,0,0]=3 2888 B11R0.77 CC[C@@H](CC(=O)O)OCCSC da17630c568c352b05b641cc05cf04b3 [0,1,0,0,1,0|1,0,0]=3 2889 B11R0.77 CC[C@H](CC(=O)O)NCCC#N cc8921a27095a25bb8c6e2a274e8881f [0,1,0,0,1,0|1,0,1]=4 2890 B11R0.77 CC[C@H](CC(=O)O)NCCC=O 6244eb2f8d809e7caf15d856c963251d [0,1,0,0,1,0|1,0,1]=4 2891 B11R0.77 CC[C@H](CC(=O)O)NCCCF 0ca2eba22e54c9d80978a2ba1991516e [0,1,0,0,1,0|1,0,0]=3 2892 B11R0.77 CC[C@H](CC(=O)O)NCCCO d48477dc51f6b5c360846438a9f43cf1 [0,1,0,0,1,0|1,0,0]=3 2893 B11R0.77 CC[C@H](CC(=O)O)NCCCS 59e749a5f5809727ead7b4c31e7e3a4a [0,1,0,0,1,0|1,0,0]=3 2894 B11R0.77 CC[C@H](CC(=O)O)NCCOC b407012521e676d1abedfaf8f5324ca9 [0,1,0,0,1,0|1,0,0]=3 2895 B11R0.77 CC[C@H](CC(=O)O)NCCSC 52ae033d83744670d0a955485fe045ad [0,1,0,0,1,0|1,0,0]=3 2896 B11R0.77 CC[C@H](CC(=O)O)OCCC#N a15f287aa5a6ee518e0fd78c3ec81668 [0,1,0,0,1,0|1,0,1]=4 2897 B11R0.77 CC[C@H](CC(=O)O)OCCC=O bbed600e1993d80372d31a0a199c475b [0,1,0,0,1,0|1,0,1]=4 2898 B11R0.77 CC[C@H](CC(=O)O)OCCCF 38e5cf40600c715e63b58dc64ffa3a50 [0,1,0,0,1,0|1,0,0]=3 2899 B11R0.77 CC[C@H](CC(=O)O)OCCCS ab2ff267f4d4c1cc3db7fd866f3ed300 [0,1,0,0,1,0|1,0,0]=3 2900 B11R0.77 CC[C@H](CC(=O)O)OCCOC 0c3e75860adce55e90c8643299472299 [0,1,0,0,1,0|1,0,0]=3 2901 B11R0.77 CC[C@H](CC(=O)O)OCCSC 1ac7dc917a712e193de46a4fcbf0f02a [0,1,0,0,1,0|1,0,0]=3 2902 B11R0.77 COCCNC(CO)CC(=O)O 50d247d9063cdf7357ba00e66d3e8160 [0,1,0,0,1,0|2,0,0]=4 2903 B11R0.77 COCCN[C@@H](CO)CC(=O)O 576cdcb746a5e27743d477dfd2ef4c1f [0,1,0,0,1,0|2,0,0]=4 2904 B11R0.77 COCCN[C@H](CO)CC(=O)O 8a3c2bdee90a0205c6a8c1fdd8cdb776 [0,1,0,0,1,0|2,0,0]=4 2905 B11R0.77 CSCCNC(CO)CC(=O)O a8054f24b85f03cae621d06f73b82a63 [0,1,0,0,1,0|2,0,0]=4 2906 B11R0.77 CSCCN[C@@H](CO)CC(=O)O 70340b61b9a0c83fbd11bffb0a05cce0 [0,1,0,0,1,0|2,0,0]=4 2907 B11R0.77 CSCCN[C@H](CO)CC(=O)O 0897d768d7defcf4adf4f07d36bceaba [0,1,0,0,1,0|2,0,0]=4 2908 B11R0.77 O=C(O)CC(CO)NCCCF 2f9e6d9ef6ea9517f085d4da8de7e98a [0,1,0,0,1,0|2,0,0]=4 2909 B11R0.77 O=C(O)CC(CO)NCCCO 66719dd75c6649e205f7b5cb8846b790 [0,1,0,0,1,0|2,0,0]=4 2910 B11R0.77 O=C(O)CC(CO)NCCCS 81c904f1d3e33854b66da8f80ec4de6f [0,1,0,0,1,0|2,0,0]=4 2911 B11R0.77 O=C(O)CN(CF)CCCCO 8785e5a281435684600134f9f5612b09 [0,1,0,0,1,0|2,0,0]=4 2912 B11R0.77 O=C(O)CN(CO)CCCCO 1a93b283213f90e8d557af6613b5bdc7 [0,1,0,0,1,0|2,0,0]=4 2913 B11R0.77 O=C(O)C[C@@H](CO)NCCCF b47fbd0093d792a7d0e199e45dfe7a7e [0,1,0,0,1,0|2,0,0]=4 2914 B11R0.77 O=C(O)C[C@@H](CO)NCCCO 0bdd1cb8d32851f1930b7706aeac47cf [0,1,0,0,1,0|2,0,0]=4 2915 B11R0.77 O=C(O)C[C@@H](CO)NCCCS 77b7b7c175bd7314fcce7f9ee9d9efcd [0,1,0,0,1,0|2,0,0]=4 2916 B11R0.77 O=C(O)C[C@H](CO)NCCCF 464b7084e110a2c26c31f6fa21b010f3 [0,1,0,0,1,0|2,0,0]=4 2917 B11R0.77 O=C(O)C[C@H](CO)NCCCO ad2eb4831dbf0a8bed49e606ef59fef7 [0,1,0,0,1,0|2,0,0]=4 2918 B11R0.77 O=C(O)C[C@H](CO)NCCCS 4a3ecdf730ad2e918db5e72249cae29b [0,1,0,0,1,0|2,0,0]=4 2919 B11R0.91 C=C(CC)CN(CC)CC(=O)O 1484847e796a22dd4e8de7b68603879f [0,1,0,0,1,0|1,0,1]=4 2920 B11R0.91 CCC(=O)CN(CC)CC(=O)O 56fc4f22e68a5fb055ff36ea80492dd0 [0,1,0,0,1,0|1,0,1]=4 2921 B11R0.91 CCC(C)CN(CC)CC(=O)O 966cd5e34b48449c0467d2c844cefe4d [0,1,0,0,1,0|1,0,0]=3 2922 B11R0.91 CCC(C)NC(CC)CC(=O)O dff272b5fd268a7d08a90b987bbc6eb0 [0,1,0,0,1,0|1,0,0]=3 2923 B11R0.91 CCC(C)NC(CO)CC(=O)O f7dcdcf447321c2d99be40ae80c5d192 [0,1,0,0,1,0|2,0,0]=4 2924 B11R0.91 CCC(C)N[C@@H](CC)CC(=O)O 97de7f3792f1c5929f7275f33ad6e535 [0,1,0,0,1,0|1,0,0]=3 2925 B11R0.91 CCC(C)N[C@@H](CO)CC(=O)O 00942750b76345b2ef14a1a647c069ff [0,1,0,0,1,0|2,0,0]=4 2926 B11R0.91 CCC(C)N[C@H](CC)CC(=O)O de75cd2b7bee63245a0c63a46859ed8a [0,1,0,0,1,0|1,0,0]=3 2927 B11R0.91 CCC(C)N[C@H](CO)CC(=O)O 01de3caa90864c1296e959c9b506796e [0,1,0,0,1,0|2,0,0]=4 2928 B11R0.91 CCC(C)OC(CC)CC(=O)O 5c1c2164da400da1b017758aa59533ba [0,1,0,0,1,0|1,0,0]=3 2929 B11R0.91 CCC(C)O[C@@H](CC)CC(=O)O d77560ba42224b9df5ba919facfe2c22 [0,1,0,0,1,0|1,0,0]=3 2930 B11R0.91 CCC(C)O[C@H](CC)CC(=O)O de9e4b3b1fa8c47971e315aceb53d6bd [0,1,0,0,1,0|1,0,0]=3 2931 B11R0.91 CCC(CC(=O)O)NC(C)CO 3eef90939002a93b551dff617d3f25fe [0,1,0,0,1,0|2,0,0]=4 2932 B11R0.91 CCC(CC(=O)O)N[C@@H](C)CO 6d24b18fa44dedabb094123860e27f11 [0,1,0,0,1,0|2,0,0]=4 2933 B11R0.91 CCC(CC(=O)O)N[C@H](C)CO e1daaab0ab4226fb14abe58c59e29e5e [0,1,0,0,1,0|2,0,0]=4 2934 B11R0.91 CCC(O)CN(CC)CC(=O)N a0d634f883b5007c4f10cc4b0f6ac4cd [0,1,0,0,1,0|2,0,0]=4 2935 B11R0.91 CCC(O)CN(CC)CC(=O)O b92305d75dbe74891130f5df3dfae392 [0,1,0,0,1,0|1,0,0]=3 2936 B11R0.91 CCN(CC(=O)O)CC(C)CO dfc609ff261dbbdb6f9c772dbfc8d7cc [0,1,0,0,1,0|2,0,0]=4 2937 B11R0.91 CCN(CC(=O)O)CC(C)OC 39c2e3cf7d0c8678445c028b55a3885a [0,1,0,0,1,0|2,0,0]=4 2938 B11R0.91 CCN(CC(=O)O)CC(O)CF 31a5e985bb35e538acf38bd3290d0204 [0,1,0,0,1,0|2,0,0]=4 2939 B11R0.91 CCN(CC(=O)O)CC(O)CO 02612dd6f6f6141f597a8ee7c689c7fc [0,1,0,0,1,0|2,0,0]=4 2940 B11R0.91 CCN(CC(=O)O)C[C@@H](C)CO df0cd69868acb1fb212b0de9d0dc614d [0,1,0,0,1,0|2,0,0]=4 2941 B11R0.91 CCN(CC(=O)O)C[C@@H](C)OC 47c3743374553da1dc14d14e1454acca [0,1,0,0,1,0|2,0,0]=4 2942 B11R0.91 CCN(CC(=O)O)C[C@@H](O)CO 3023ead6fff9aaada31112794d238e41 [0,1,0,0,1,0|2,0,0]=4 2943 B11R0.91 CCN(CC(=O)O)C[C@H](C)CO 34c007fde945f15f1eb3980cf42838be [0,1,0,0,1,0|2,0,0]=4 2944 B11R0.91 CCN(CC(=O)O)C[C@H](C)OC cc46e7f2c8b4b6c545dd1a32381cb759 [0,1,0,0,1,0|2,0,0]=4 2945 B11R0.91 CCN(CC(=O)O)C[C@H](O)CO f75e6cf6d171df153c32f7303b30abfe [0,1,0,0,1,0|2,0,0]=4 2946 B11R0.91 CC[C@@H](C)CN(CC)CC(=O)O 4a184a84102b80ee087c193f0315c173 [0,1,0,0,1,0|1,0,0]=3 2947 B11R0.91 CC[C@@H](CC(=O)O)NC(C)CO 7727394194500fa62df526074b62c633 [0,1,0,0,1,0|2,0,0]=4 2948 B11R0.91 CC[C@@H](CC(=O)O)N[C@@H](C)CO 01d9114305ca584af715d86e226e5de8 [0,1,0,0,1,0|2,0,0]=4 2949 B11R0.91 CC[C@@H](CC(=O)O)N[C@H](C)CO 1ad0a8cd2e84ed69c9cae4effb0da2c1 [0,1,0,0,1,0|2,0,0]=4 2950 B11R0.91 CC[C@H](C)CN(CC)CC(=O)O d74aca83f49d5681c7c1105b4c7f5b16 [0,1,0,0,1,0|1,0,0]=3 2951 B11R0.91 CC[C@H](CC(=O)O)NC(C)CO d252efc34a5410078e14a4ecaa3cc42e [0,1,0,0,1,0|2,0,0]=4 2952 B11R0.91 CC[C@H](CC(=O)O)N[C@@H](C)CO ea3cdc1e7590e01784175cefd479095d [0,1,0,0,1,0|2,0,0]=4 2953 B11R0.91 CC[C@H](CC(=O)O)N[C@H](C)CO 589987d7584727d92206c29314d95abe [0,1,0,0,1,0|2,0,0]=4 2954 B11R0.160 CC(C)C(CC(=O)O)NCCF 6f0a52e8bcaaf4912e2e3ef1af075d0c [0,1,0,0,1,0|2,0,0]=4 2955 B11R0.160 CC(C)C(CC(=O)O)NCCO b89a1e20e54658dc5818c028e100a1e4 [0,1,0,0,1,0|2,0,0]=4 2956 B11R0.160 CC(C)N(CCCF)CC(=O)O c8d7de048f90c18bbf5f37cb5eb19808 [0,1,0,0,1,0|2,0,0]=4 2957 B11R0.160 CC(C)N(CCCO)CC(=O)O c3bba2737b5da74b51a31bc26fdbfbf3 [0,1,0,0,1,0|2,0,0]=4 2958 B11R0.160 CC(C)N(CCCS)CC(=O)O 3b87104c857ea54af4c15cf5406917b2 [0,1,0,0,1,0|2,0,0]=4 2959 B11R0.160 CC(C)[C@@H](CC(=O)O)NCCF 77731f5de4a78fe245934c11545dfbb8 [0,1,0,0,1,0|2,0,0]=4 2960 B11R0.160 CC(C)[C@@H](CC(=O)O)NCCO 3c9f8214aadde6931309ca7b837da6aa [0,1,0,0,1,0|2,0,0]=4 2961 B11R0.160 CC(C)[C@H](CC(=O)O)NCCF fd1c7fff16b6daf88c9a64d08160b9de [0,1,0,0,1,0|2,0,0]=4 2962 B11R0.160 CC(C)[C@H](CC(=O)O)NCCO e307c1405db5ff5d2fbd79f1471b3954 [0,1,0,0,1,0|2,0,0]=4 2963 B11R0.160 CCCCN(CC(=O)N)C(C)C 5f4e0b1c13e416e417bf3cdd174c8611 [0,1,0,0,1,0|2,0,0]=4 2964 B11R0.160 CCCCN(CC(=O)O)C(C)C b828b164e078e80f90f6620c3fe8f0a8 [0,1,0,0,1,0|1,0,0]=3 2965 B11R0.160 CCCNC(CC(=O)O)C(C)C 2687e60023f60721c0475ff1de81cbc5 [0,1,0,0,1,0|1,0,0]=3 2966 B11R0.160 CCCN[C@@H](CC(=O)O)C(C)C 79e1771a7f17642f2200ad4bc1fb3f15 [0,1,0,0,1,0|1,0,0]=3 2967 B11R0.160 CCCN[C@H](CC(=O)O)C(C)C 1ab9e6eb2e54d4b701024103e1575114 [0,1,0,0,1,0|1,0,0]=3 2968 B11R0.160 CCCN[C@H](CC(=O)O)[C@@H](C)O c56c420a09b4271c4b3111a012675d88 [0,1,0,0,1,0|1,0,0]=3 2969 B11R0.160 COCCN(CC(=O)O)C(C)C 295fd5875f87af2c3670d3fea55cbfb4 [0,1,0,0,1,0|2,0,0]=4 2970 B11R0.160 COCNC(CC(=O)O)C(C)C 755a0cd8719d4acfbb4ebc65e148018e [0,1,0,0,1,0|2,0,0]=4 2971 B11R0.160 COCN[C@@H](CC(=O)O)C(C)C 726c8c88f289b8c068d341a538062d5f [0,1,0,0,1,0|2,0,0]=4 2972 B11R0.160 COCN[C@H](CC(=O)O)C(C)C 988a3adc0ab07f61186e3356a3405218 [0,1,0,0,1,0|2,0,0]=4 2973 B11R0.160 COCN[C@H](CC(=O)O)[C@@H](C)O 7a680fd0502c8a9e0dcdf7fffeea9036 [0,1,0,0,1,0|2,0,0]=4 2974 B11R0.160 CSCCN(CC(=O)O)C(C)C e3b54a20316680f197ebc2dd4e143e14 [0,1,0,0,1,0|2,0,0]=4 2975 B11R0.160 CSCNC(CC(=O)O)C(C)C c329cc5344c6ddd768772ebac109bdc7 [0,1,0,0,1,0|2,0,0]=4 2976 B11R0.160 CSCN[C@@H](CC(=O)O)C(C)C 8bd5f4558f119300e9c24dbf35acd3be [0,1,0,0,1,0|2,0,0]=4 2977 B11R0.160 CSCN[C@H](CC(=O)O)C(C)C 55cf564f0758ade369230d32355ef8d4 [0,1,0,0,1,0|2,0,0]=4 2978 B11R0.160 CSCN[C@H](CC(=O)O)[C@@H](C)O ff3f27be08d8830de5c7bc549d14b795 [0,1,0,0,1,0|2,0,0]=4 2979 B11R0.160 C[C@@H](O)[C@@H](CC(=O)O)NCCF 5930384c45c31fa9c13fb44ad31bbc9f [0,1,0,0,1,0|2,0,0]=4 2980 B11R0.160 C[C@@H](O)[C@@H](CC(=O)O)NCCO f46ffb4ff1b44f92a0ba01742521b1c6 [0,1,0,0,1,0|2,0,0]=4 2981 B11R0.160 C[C@@H](O)[C@@H](CC(=O)O)NCCS 35afc732001c9868b4b10e848c673cf2 [0,1,0,0,1,0|2,0,0]=4 2982 B11R0.162 CCC(CNCF)C(O)C(=O)O e109e3573b9bf04af1df53e02fbda45c [0,1,0,0,1,0|2,0,0]=4 2983 B11R0.162 CCC(CNCO)C(O)C(=O)O f2b011bb6fa18febeac9119aca266504 [0,1,0,0,1,0|2,0,0]=4 2984 B11R0.162 CCCCN(CC)C(C)C(=O)C fba61ffc31bfc54afd025d901cca18e8 [0,1,0,0,1,0|2,0,0]=4 2985 B11R0.162 CCCCN(CC)C(C)C(=O)N 5661350fb9101440cc95b1b02f272f71 [0,1,0,0,1,0|2,0,0]=4 2986 B11R0.162 CCCCN(CC)C(C)C(=O)O 2e030e8326756bb156b675155e9e97c1 [0,1,0,0,1,0|1,0,0]=3 2987 B11R0.162 CCCCN(CC)C(F)C(=O)N 648dbb8274acefc3c9ab32f4fce7733c [0,1,0,0,1,0|2,0,0]=4 2988 B11R0.162 CCCCN(CC)C(F)C(=O)O 61a4cc21aed9a563cc861565c36e179b [0,1,0,0,1,0|1,0,0]=3 2989 B11R0.162 CCCCN(CC)[C@@H](C)C(=O)N dbe781b65b280068e90d89251dff4348 [0,1,0,0,1,0|2,0,0]=4 2990 B11R0.162 CCCCN(CC)[C@@H](C)C(=O)O aa06335d2c668ae43e9067fab6c5af6d [0,1,0,0,1,0|1,0,0]=3 2991 B11R0.162 CCCCN(CC)[C@@H](F)C(=O)O ad9a8724677969d67bd72d27822bc90f [0,1,0,0,1,0|1,0,0]=3 2992 B11R0.162 CCCCN(CC)[C@H](C)C(=O)N d87d708a312b0c9693f7cb3bab26036e [0,1,0,0,1,0|2,0,0]=4 2993 B11R0.162 CCCCN(CC)[C@H](C)C(=O)O 09ad51fb135184dd6313e6cf97d18479 [0,1,0,0,1,0|1,0,0]=3 2994 B11R0.162 CCN(CCCF)C(C)C(=O)O 74e133c5788746a7050952031aa852ff [0,1,0,0,1,0|2,0,0]=4 2995 B11R0.162 CCN(CCCF)[C@@H](C)C(=O)O 48a1dbe5fc55ab9d2ec7048e93673c47 [0,1,0,0,1,0|2,0,0]=4 2996 B11R0.162 CCN(CCCF)[C@H](C)C(=O)O a98422a4a1644c98338c6ba24727d27f [0,1,0,0,1,0|2,0,0]=4 2997 B11R0.162 CCN(CCCO)C(C)C(=O)O 5151a0441dfbb17965c85a10af0b503c [0,1,0,0,1,0|2,0,0]=4 2998 B11R0.162 CCN(CCCO)[C@@H](C)C(=O)O 80459bfa127c4a6b58f56965b1207922 [0,1,0,0,1,0|2,0,0]=4 2999 B11R0.162 CCN(CCCO)[C@H](C)C(=O)O bcd0134c78d7c35c5e6b3f9ae69a737b [0,1,0,0,1,0|2,0,0]=4 3000 B11R0.162 CCN(CCCS)C(C)C(=O)O 2f8ca71be3b0d3e04007ac83157a8f6a [0,1,0,0,1,0|2,0,0]=4 3001 B11R0.162 CCN(CCCS)[C@@H](C)C(=O)O 6934afb426373e84a5986116df0e840e [0,1,0,0,1,0|2,0,0]=4 3002 B11R0.162 CCN(CCCS)[C@H](C)C(=O)O 7ceacdafa9d939bafad8e20a85cc706a [0,1,0,0,1,0|2,0,0]=4 3003 B11R0.162 CCN(CCOC)C(C)C(=O)O ea4e4da8427310f770afe941dbb79aca [0,1,0,0,1,0|2,0,0]=4 3004 B11R0.162 CCN(CCOC)[C@@H](C)C(=O)O 9a2a17eac0173001e74b03c55d1684f1 [0,1,0,0,1,0|2,0,0]=4 3005 B11R0.162 CCN(CCOC)[C@H](C)C(=O)O c047d9874d2212862bbaa2c6d6291218 [0,1,0,0,1,0|2,0,0]=4 3006 B11R0.162 CCN(CCSC)C(C)C(=O)O 94b3b34a0a1025a0d41d20e6a9b34af1 [0,1,0,0,1,0|2,0,0]=4 3007 B11R0.162 CCN(CCSC)[C@@H](C)C(=O)O 10b9cdca7474507fc5511dcfe72aac2a [0,1,0,0,1,0|2,0,0]=4 3008 B11R0.162 CCN(CCSC)[C@H](C)C(=O)O 432f6210786c8ee4fb954734e2c82bc9 [0,1,0,0,1,0|2,0,0]=4 3009 B11R0.162 CCNCC(CC)C(O)C(=O)O a263de78986b774a8f5a32e04af33a1e [0,1,0,0,1,0|1,0,0]=3 3010 B11R0.162 CCOCN(CC)C(C)C(=O)O bdfb88e6a435d811a72c9426a9ce1890 [0,1,0,0,1,0|2,0,0]=4 3011 B11R0.162 CCOCN(CC)[C@@H](C)C(=O)O dc81fecef0ba7e1a2852083e7822f4f2 [0,1,0,0,1,0|2,0,0]=4 3012 B11R0.162 CCOCN(CC)[C@H](C)C(=O)O 8dcf729dab6e1af24974196478c70f40 [0,1,0,0,1,0|2,0,0]=4 3013 B13R0.94 C=C(C)CCOC(CC)C(C)CCC 16cdcdfe5fa631732fd430ef03d89141 [0,1,0,0,0,1|2,0,0]=4 3014 B13R0.94 CCCC(=O)C(CC)NCCC(=O)N 38f5b8b2eb0ae5dd5c0dc3e47ee512ab [0,1,0,0,0,1|1,0,1]=4 3015 B13R0.94 CCCC(=O)C(CC)NCCC(=O)O b013556b1a567b73f772cb737671ef48 [0,1,0,0,0,1|0,0,1]=3 3016 B13R0.94 CCCC(=O)C(CC)NCCS(=O)O 23ac8ba3b4afdda6c1a0d6a57b833a2e [0,1,0,0,0,1|1,0,1]=4 3017 B13R0.94 CCCC(C)C(CC)OCCC(=O)C 0a695731678c9ea0e291548803fa1793 [0,1,0,0,0,1|1,0,0]=3 3018 B13R0.94 CCCC(C)C(CC)OCCC(=O)N c9bded3014307679cfabfd74b5e6bb1b [0,1,0,0,0,1|1,0,0]=3 3019 B13R0.94 CCCC(C)C(CC)OCCC(=O)O 0c1254feaec4db237db7f36e871fa2ea [0,1,0,0,0,1|0,0,0]=2 3020 B13R0.94 CCCC(C)C(CC)OCCS(=O)C 6afaaea4678b55058236a4a4e103105b [0,1,0,0,0,1|2,0,0]=4 3021 B13R0.94 CCCC(C)C(CC)OCOC(=O)C 7766782be0a2e533d41314938702307e [0,1,0,0,0,1|2,0,0]=4 3022 B13R0.94 CCCC(C)C(CC)OCSC(=O)N 9ae08ee49489fb614fd247c0d5f7111a [0,1,0,0,0,1|2,0,0]=4 3023 B13R0.94 CCN(CCCC(=O)O)C(C)CCO b884e5b0b5ccbb91557dfd57226ec04b [0,1,0,0,0,1|2,0,0]=4 3024 B13R0.94 CCNC(=O)C(CC)NCCC(=O)O 91667f3f83b472cf76d582be8fe9ad4f [0,1,0,0,0,1|1,0,1]=4 3025 B13R0.94 CCOC(=O)C(CC)NCCC(=O)O a5cf1f25e2d3c84fcafd2b78c74b15c7 [0,1,0,0,0,1|1,0,1]=4 3026 B13R0.94 CCOC(=O)[C@@H](CC)NCCC(=O)O c4f22ec9ba3319f1c16e1c179e5d38b8 [0,1,0,0,0,1|1,0,1]=4 3027 B13R0.94 CCOC(=O)[C@H](CC)NCCC(=O)O 02e1f53392cbf9bd11204bb8d012c028 [0,1,0,0,0,1|1,0,1]=4 3028 B13R0.153 C#CC(CCCCC)OCCC(=O)O bebf81a06d62f13642022df48d1a595a [0,1,0,0,0,1|0,0,2]=4 3029 B13R0.153 C#C[C@H](CCCCC)OCCC(=O)O 9a552ade5528d981d4e129ba061a3aa4 [0,1,0,0,0,1|0,0,2]=4 3030 B13R0.153 C=C(Br)COCC(CC)CCCCC cf2a85523a357c25c5c658a5a6ccbd8a [0,1,0,0,0,1|2,0,0]=4 3031 B13R0.153 C=C(C)CCOC(CC)CCCCC d9d571e0dda164d7d583d5976d4daf8f [0,1,0,0,0,1|2,0,0]=4 3032 B13R0.153 C=C(C)CCO[C@@H](CC)CCCCC 03789ef45f3d0430f90d173a4a511134 [0,1,0,0,0,1|2,0,0]=4 3033 B13R0.153 C=C(C)COCC(CC)CCCCC 371f25bcba0db718b39949e53b6f7489 [0,1,0,0,0,1|2,0,0]=4 3034 B13R0.153 C=C(Cl)COCC(CC)CCCCC 8895520198d5fcf4727a1aa9e021cbba [0,1,0,0,0,1|2,0,0]=4 3035 B13R0.153 C=C(F)COCC(CC)CCCCC 658e0ce44b36a2c4c139f479789478a2 [0,1,0,0,0,1|2,0,0]=4 3036 B13R0.153 C=CC(CCCCC)OCCC(=O)O 1850a873783a6130f2367cf23bbef23f [0,1,0,0,0,1|0,0,2]=4 3037 B13R0.153 C=C[C@H](CCCCC)OCCC(=O)O ceb248694a07a64c293eac2dac775c9a [0,1,0,0,0,1|0,0,2]=4 3038 B13R0.153 CCCCCC(CC)COCC(=O)N 4792eee1a78a9975c5acdf674ae7be9a [0,1,0,0,0,1|1,0,0]=3 3039 B13R0.153 CCCCCC(CC)COCC(=O)O 0b45dbe71c0a2ee3535c1c6c0dbb84eb [0,1,0,0,0,1|0,0,0]=2 3040 B13R0.153 CCCCCC(CC)COC[N+](=O)[O-] 5f0f66a12909c7ece361b40af11d8388 [0,1,0,0,0,1|1,0,1]=4 3041 B13R0.153 CCCCCC(CC)OCCC(=O)C 0de8af565fcba2577fc6b13ee735274a [0,1,0,0,0,1|1,0,0]=3 3042 B13R0.153 CCCCCC(CC)OCCC(=O)N 6a353b8aba32e248fb222009434a74dd [0,1,0,0,0,1|1,0,0]=3 3043 B13R0.153 CCCCCC(CC)OCCC(=O)O 966964dfd4de1769fe3d2964a229cbb8 [0,1,0,0,0,1|0,0,0]=2 3044 B13R0.153 CCCCCC(CC)OCCS(=O)C 23a98f1706d5ad7380a8ec4317f938f3 [0,1,0,0,0,1|2,0,0]=4 3045 B13R0.153 CCCCCC(CC)OCOC(=O)C ccdd901c7207e15f66b71d30d80ff19e [0,1,0,0,0,1|2,0,0]=4 3046 B13R0.153 CCCCCC(CC)OCSC(=O)N 79b871f27720a5dab0dfbbdd36f13b2e [0,1,0,0,0,1|2,0,0]=4 3047 B13R0.153 CCCCC[C@H](CC)OCCC(=O)C 0e58fd9cfcbedc3be729d1385c451a12 [0,1,0,0,0,1|1,0,0]=3 3048 B13R0.153 CCCCC[C@H](CC)OCCC(=O)N f9fab1c499167c7216305087cf9abcc7 [0,1,0,0,0,1|1,0,0]=3 3049 B13R0.153 CCCCC[C@H](CC)OCCC(=O)O d4e885869b1c0ab81e4215e04983a25d [0,1,0,0,0,1|0,0,0]=2 3050 B13R0.153 CCCCC[C@H](CC)OCCS(=O)C 0485743c74df6ffc6979b816d201dd85 [0,1,0,0,0,1|2,0,0]=4 3051 B13R0.153 CCCCC[C@H](CC)OCOC(=O)C 2969143bbde0f9ad125e713e2b49b60f [0,1,0,0,0,1|2,0,0]=4 3052 B13R0.153 CCCCC[C@H](CC)OCSC(=O)N 5a55d185109e15dc42ab3783059be464 [0,1,0,0,0,1|2,0,0]=4 3053 B13R0.153 CCN(C/C=C/C(=O)O)CCCCO 47f2d00252e3f4feb284f1cdc29b2ff7 [0,1,0,0,0,1|1,0,1]=4 3054 B13R0.153 CCN(C/C=C/C(=O)O)CCCOC 41e9de200325a156c0c33575a811d6c5 [0,1,0,0,0,1|1,0,1]=4 3055 B13R0.153 CCN(CC=CC(=O)O)CCCCO 70ef682c652cf95fe88317e5877a0b6a [0,1,0,0,0,1|1,0,1]=4 3056 B13R0.153 CCN(CC=CC(=O)O)CCCOC e36682995364bfb7e045b5a62e25e01d [0,1,0,0,0,1|1,0,1]=4 3057 B13R0.153 CCN(CCCCO)CCCC(=O)C 69073b9267c26f5da2a21882fd51c9bd [0,1,0,0,0,1|2,0,0]=4 3058 B13R0.153 CCN(CCCCO)CCCC(=O)N 7a48138f78b5d32f31789fc042f33e0c [0,1,0,0,0,1|2,0,0]=4 3059 B13R0.153 CCN(CCCCO)CCNC(=O)C 5797bff7b86ae4e159f1752d93b628ae [0,1,0,0,0,1|2,0,0]=4 3060 B13R0.153 CCN(CCCCO)CCNC(=O)N 3415b0cf794d7eb7e973b72c23db49c7 [0,1,0,0,0,1|2,0,0]=4 3061 B13R0.153 CCN(CCCCO)CCOC(=O)C d4a89e146dc0bd7907a52a50aac87652 [0,1,0,0,0,1|2,0,0]=4 3062 B13R0.153 CCN(CCCCO)CCSC(=O)C 82ba0f23eb42b2948d28e4905cce437c [0,1,0,0,0,1|2,0,0]=4 3063 B13R0.153 CCN(CCCOC)CCCC(=O)C 86c71ba11f032a5de530b91cb6f5b49e [0,1,0,0,0,1|2,0,0]=4 3064 B13R0.153 CCN(CCCOC)CCCC(=O)N 42d1319c4d7fb608b2bf6743f86fce39 [0,1,0,0,0,1|2,0,0]=4 3065 B13R0.153 CCN(CCCOC)CCNC(=O)C 307c327d4b65e1e995ed06becfbb450a [0,1,0,0,0,1|2,0,0]=4 3066 B13R0.153 CCN(CCCOC)CCNC(=O)N bc119e7e0b08fd9483f66ccc1901c9fd [0,1,0,0,0,1|2,0,0]=4 3067 B13R0.153 CCN(CCCOC)CCOC(=O)C e7e6e3b0bf393f45156cc729a5a93c9f [0,1,0,0,0,1|2,0,0]=4 3068 B13R0.153 CCN(CCCOC)CCSC(=O)C 42242700bb4710835f986409e7d3c419 [0,1,0,0,0,1|2,0,0]=4 3069 B13R0.153 CCOCCN(CC)C/C=C/C(=O)O a1e7961769e16e657681d2e4468e1d80 [0,1,0,0,0,1|1,0,1]=4 3070 B13R0.153 CCOCCN(CC)CC=CC(=O)O 0124235abd311176cfe9c5cd2f9225e1 [0,1,0,0,0,1|1,0,1]=4 3071 B13R0.153 CCOCCN(CC)CCCC(=O)C 633b0847362122e9350bf53717a7bc36 [0,1,0,0,0,1|2,0,0]=4 3072 B13R0.153 CCOCCN(CC)CCCC(=O)N b7c9fd708ce9b3c1193df7cfdecd125d [0,1,0,0,0,1|2,0,0]=4 3073 B13R0.153 CCOCCN(CC)CCNC(=O)C d16111e8a97e1c7be2b78eb388455a8b [0,1,0,0,0,1|2,0,0]=4 3074 B13R0.153 CCOCCN(CC)CCNC(=O)N 08fa483128aa20a7761393b8adcafb0f [0,1,0,0,0,1|2,0,0]=4 3075 B13R0.153 CCOCCN(CC)CCOC(=O)C e00bb88b42a0f49f954ad7d631a5d1fe [0,1,0,0,0,1|2,0,0]=4 3076 B13R0.153 CCOCCN(CC)CCSC(=O)C c97a79de5706400104e21f15fcf043c6 [0,1,0,0,0,1|2,0,0]=4 3077 B13R0.207 C=C(C)CCOC(CC)CC(C)CC 324f56f0a88c57770a66deb22973e6df [0,1,0,0,0,1|2,0,0]=4 3078 B13R0.207 CCC(C)CC(CC)OCCC(=O)C 4a78d0f915a0ede56eadb1909354f5c2 [0,1,0,0,0,1|1,0,0]=3 3079 B13R0.207 CCC(C)CC(CC)OCCC(=O)N f107fb3cf8d55de6e773df67a67f03e3 [0,1,0,0,0,1|1,0,0]=3 3080 B13R0.207 CCC(C)CC(CC)OCCC(=O)O 25ab4ffeb8c74d12f4ba65990cec62f5 [0,1,0,0,0,1|0,0,0]=2 3081 B13R0.207 CCC(C)CC(CC)OCCS(=O)C 9dd7f7d8ca7a106500352c1e9851ac85 [0,1,0,0,0,1|2,0,0]=4 3082 B13R0.207 CCC(C)CC(CC)OCOC(=O)C e87db5699b7f626e5c23440990c129a5 [0,1,0,0,0,1|2,0,0]=4 3083 B13R0.207 CCC(C)CC(CC)OCSC(=O)N 45a382b51a005a0ab7135506eb01b9d7 [0,1,0,0,0,1|2,0,0]=4 3084 B13R0.207 CCC(CC(=O)OC)OCCC(=O)O e2cc03281931301785e2368d84226c6b [0,1,0,0,0,1|1,0,1]=4 3085 B13R0.207 CCC(O)CN(CC)C/C=C/C(=O)O 88f4cbe542c04d2bf47fff8cc6036a0e [0,1,0,0,0,1|1,0,1]=4 3086 B13R0.207 CCC(O)CN(CC)CC=CC(=O)O 2d43b8e1f24c188ad4cd49c81a33ffb6 [0,1,0,0,0,1|1,0,1]=4 3087 B13R0.207 CCC(O)CN(CC)CCCC(=O)C c4fc6516211b78a3a9cf7b46abe42224 [0,1,0,0,0,1|2,0,0]=4 3088 B13R0.207 CCC(O)CN(CC)CCCC(=O)N fe13dcedf538e0fcbf2e5f7775f18303 [0,1,0,0,0,1|2,0,0]=4 3089 B13R0.207 CCC(O)CN(CC)CCCC(=O)O 65395ce5b90bfc5184b2f6e5eb653d16 [0,1,0,0,0,1|1,0,0]=3 3090 B13R0.207 CCC(O)CN(CC)CCNC(=O)C b0ee3ee19c0f364e926aec2dc8c56a96 [0,1,0,0,0,1|2,0,0]=4 3091 B13R0.207 CCC(O)CN(CC)CCNC(=O)N 4e8b1d98d336af2efad1bad7c1d447f6 [0,1,0,0,0,1|2,0,0]=4 3092 B13R0.207 CCC(O)CN(CC)CCOC(=O)C ceedcf485eb3258cbe3591b9b80a2f30 [0,1,0,0,0,1|2,0,0]=4 3093 B13R0.207 CCC(O)CN(CC)CCSC(=O)C 1834cc3fc50a2679bd83e4fe31ac5bc6 [0,1,0,0,0,1|2,0,0]=4 3094 B13R0.207 CC[C@@H](CC(=O)OC)OCCC(=O)O 5c38fdd4600b32bd1a9bba6c308991b9 [0,1,0,0,0,1|1,0,1]=4 3095 B13R0.207 CC[C@H](CC(=O)OC)OCCC(=O)O de896d0131ad1985f61e19258cf0adfe [0,1,0,0,0,1|1,0,1]=4 3096 B13R0.306 C#CC(=O)NCCN(CC)CCCC 92d2fcec75ad0db543ab2aaaf0990802 [0,1,0,0,0,1|2,0,0]=4 3097 B13R0.306 C#CC(CCCC)OCCC(=O)OC d1e288fc7bb4d1db0de7d748fd8863e1 [0,1,0,0,0,1|0,0,2]=4 3098 B13R0.306 C=C(C#N)CNCC(CC)CCCC ff0ca15e4f16f11b1aa6a2d56ba4d552 [0,1,0,0,0,1|2,0,0]=4 3099 B13R0.306 C=C(C#N)COCC(CC)CCCC 99bab5a85834570d872a6fdee396a531 [0,1,0,0,0,1|2,0,0]=4 3100 B13R0.306 C=C(C#N)COC[C@H](CC)CCCC 30da70c197e181d9fee49e152eb6d6e7 [0,1,0,0,0,1|2,0,0]=4 3101 B13R0.306 C=C(CC)CNCC(CC)CCCC 6d492f8c146974d034de3dfa4cc0fb87 [0,1,0,0,0,1|2,0,0]=4 3102 B13R0.306 C=C(CC)COCC(CC)CCCC bbb995f2a901d3c9620a78fb838b60af [0,1,0,0,0,1|2,0,0]=4 3103 B13R0.306 C=C(CNCC(CC)CCCC)OC f26388fc7423f8211b25351b134807bd [0,1,0,0,0,1|1,0,0]=3 3104 B13R0.306 C=C(CO)CNCC(CC)CCCC b8f8f1376cd5525ebbaee5341d61efa4 [0,1,0,0,0,1|1,0,0]=3 3105 B13R0.306 C=C(COCC(CC)CCCC)OC d171a6a963832ccaa81cac66b6c968eb [0,1,0,0,0,1|1,0,0]=3 3106 B13R0.306 C=CC(=O)CCCN(CC)CCCC ed5d7b4c056be8ef3d5241ff1c2305c2 [0,1,0,0,0,1|2,0,0]=4 3107 B13R0.306 C=CC(=O)NCCN(CC)CCCC ba35804ec41cda7fc1db2e3367fdcc69 [0,1,0,0,0,1|2,0,0]=4 3108 B13R0.306 C=CC(=O)NCOC(CC)CCCC 320ecf922a56eac5adbf7a2bdf15c651 [0,1,0,0,0,1|2,0,0]=4 3109 B13R0.306 C=CC(=O)OCCN(CC)CCCC 2232f75ba056aa8cbdf9cbc7fa0baac9 [0,1,0,0,0,1|2,0,0]=4 3110 B13R0.306 C=CC(CCCC)OCCC(=O)OC 2442a2f846a41b9dbe6310be63c209e3 [0,1,0,0,0,1|0,0,2]=4 3111 B13R0.306 C=CC(O)CNCC(CC)CCCC ca6f8938e39774a98f56185bb9c6525b [0,1,0,0,0,1|1,0,1]=4 3112 B13R0.306 C=CC(O)CNC[C@H](CC)CCCC 0268985b8a3d853240686727a7c4b317 [0,1,0,0,0,1|1,0,1]=4 3113 B13R0.306 CC#CCC(CC)OCCC(=O)OC 99a5601ba553283a5e0f3c5b518faa58 [0,1,0,0,0,1|0,0,2]=4 3114 B13R0.306 CCC/C=C(\CC)/COCC(=O)OC ada998b3e420a76db0da7bead78e1cfa [0,1,0,0,0,1|0,0,2]=4 3115 B13R0.306 CCCCC(CC)CCCN(C)C=O 51a21c3a1d0abf35f3ac2ce22ec64ea0 [0,1,0,0,0,1|2,0,0]=4 3116 B13R0.306 CCCCC(CC)CCCN(C)CO 15473d657b721a389cf586fa73a0eb3a [0,1,0,0,0,1|2,0,0]=4 3117 B13R0.306 CCCCC(CC)CCOC(C)C=O bf0c8dfc4a808f61c4bc479214cb7321 [0,1,0,0,0,1|1,0,1]=4 3118 B13R0.306 CCCCC(CC)CCO[C@H](C)C=O 4c5893387785e342a0f30deb3b7978e9 [0,1,0,0,0,1|1,0,1]=4 3119 B13R0.306 CCCCC(CC)CNC/C(=C/Cl)/Cl b6fcc9cdabe95534ed24377fdf81e7d5 [0,1,0,0,0,1|2,0,0]=4 3120 B13R0.306 CCCCC(CC)CNCC(=O)CC ccc69dbe0eb85e3f5769bffda88c8c9e [0,1,0,0,0,1|1,0,0]=3 3121 B13R0.306 CCCCC(CC)CNCC(=O)CO 6480cc9f98521872aa67e8899cd391bb [0,1,0,0,0,1|0,0,0]=2 3122 B13R0.306 CCCCC(CC)CNCC(=O)NC aa112f61735bed2904ba1f7916c5350c [0,1,0,0,0,1|1,0,0]=3 3123 B13R0.306 CCCCC(CC)CNCC(=O)NO cfd9c7ae55131a2cefc88ebd0c6de4ce [0,1,0,0,0,1|0,0,0]=2 3124 B13R0.306 CCCCC(CC)CNCC(=O)OC 3b8d1ddcd350c74a49562063b971c809 [0,1,0,0,0,1|0,0,0]=2 3125 B13R0.306 CCCCC(CC)CNCC(C)CO 59742116c29ebf63f1eddf6d5c89911f [0,1,0,0,0,1|1,0,1]=4 3126 B13R0.306 CCCCC(CC)CNCC(C)OC e941ae902c44408bcf802386cff4f3e2 [0,1,0,0,0,1|1,0,1]=4 3127 B13R0.306 CCCCC(CC)CNCC(F)CO ad279476518d3f1cfff68f99c7481d1f [0,1,0,0,0,1|1,0,1]=4 3128 B13R0.306 CCCCC(CC)CNCC(O)CC 53f1b7115817aa82ddda2e34c350ca1c [0,1,0,0,0,1|1,0,1]=4 3129 B13R0.306 CCCCC(CC)CNCC(O)CF 2d21ee2c8e568e6f8300da5fcb689198 [0,1,0,0,0,1|1,0,1]=4 3130 B13R0.306 CCCCC(CC)CNCC(O)CO 48b89deb85fe240ebf3e695ac6256f3a [0,1,0,0,0,1|0,0,2]=4 3131 B13R0.306 CCCCC(CC)CNC[C@@H](C)CO cbcdb63326b3ec628590f90b0ee3af9f [0,1,0,0,0,1|1,0,1]=4 3132 B13R0.306 CCCCC(CC)CNC[C@@H](C)OC 7d2586662096ce1b16a23b5875b13dac [0,1,0,0,0,1|1,0,1]=4 3133 B13R0.306 CCCCC(CC)CNC[C@@H](F)CO 674da20f6e1d5807c982be00f71bf1df [0,1,0,0,0,1|1,0,1]=4 3134 B13R0.306 CCCCC(CC)CNC[C@@H](O)CO 17342b77670b6433a1227343ffeaa74b [0,1,0,0,0,1|0,0,2]=4 3135 B13R0.306 CCCCC(CC)CNC[C@H](C)CO cc364bd5485ab6fdde6f4afb48bd1ea6 [0,1,0,0,0,1|1,0,1]=4 3136 B13R0.306 CCCCC(CC)CNC[C@H](C)OC fdee4824f13fc86428633244eb8dcaf3 [0,1,0,0,0,1|1,0,1]=4 3137 B13R0.306 CCCCC(CC)CNC[C@H](F)CO dabc52f2344889e0b6a58267d677105a [0,1,0,0,0,1|1,0,1]=4 3138 B13R0.306 CCCCC(CC)CNC[C@H](O)CC 877287f124e5f85d3540260d2e54d0ab [0,1,0,0,0,1|1,0,1]=4 3139 B13R0.306 CCCCC(CC)CNC[C@H](O)CO ca978117dfdc6c0d5cb918e5d43148cf [0,1,0,0,0,1|0,0,2]=4 3140 B13R0.306 CCCCC(CC)COC/C(=C/Cl)/Cl c1316640c3317beb926a47b7e2ca0151 [0,1,0,0,0,1|2,0,0]=4 3141 B13R0.306 CCCCC(CC)COC/C(=C/I)/C 7b896b09f9b3ce5dd9f4cb851003c585 [0,1,0,0,0,1|2,0,0]=4 3142 B13R0.306 CCCCC(CC)COCC(=CI)C 503b016711ba35599a495c00e9256f88 [0,1,0,0,0,1|2,0,0]=4 3143 B13R0.306 CCCCC(CC)COCC(=O)CC 26a251d780a72d8996d37d6e0c1702c1 [0,1,0,0,0,1|1,0,0]=3 3144 B13R0.306 CCCCC(CC)COCC(=O)NC 3965f773d9f64b3a396bd41a0a2a3496 [0,1,0,0,0,1|1,0,0]=3 3145 B13R0.306 CCCCC(CC)COCC(=O)OC 9514a870cba2c90db3afbfbc8715b1e0 [0,1,0,0,0,1|0,0,0]=2 3146 B13R0.306 CCCCC(CC)COCC(C)OC ab72371ec43ac715b51e111667fc932c [0,1,0,0,0,1|1,0,1]=4 3147 B13R0.306 CCCCC(CC)COCC(O)CO 89c8cf4c607178572f4381ecac933049 [0,1,0,0,0,1|0,0,2]=4 3148 B13R0.306 CCCCC(CC)COC[C@@H](C)OC d1c1b6795bcd6f0374530da110fb1f36 [0,1,0,0,0,1|1,0,1]=4 3149 B13R0.306 CCCCC(CC)COC[C@@H](O)CO 03c2761af8f610be91e62afb2d359278 [0,1,0,0,0,1|0,0,2]=4 3150 B13R0.306 CCCCC(CC)COC[C@H](C)OC 4604687fdbdadde2f542c265628602c9 [0,1,0,0,0,1|1,0,1]=4 3151 B13R0.306 CCCCC(CC)COC[C@H](O)CO 28862e0a9cb521377e3729cb39e6f4c0 [0,1,0,0,0,1|0,0,2]=4 3152 B13R0.306 CCCCC(CC)NCCC(=O)NC d9d7d5753263bd8ec5bfbe1c44271bf2 [0,1,0,0,0,1|1,0,0]=3 3153 B13R0.306 CCCCC(CC)NCCC(=O)NO d22ac89dd616acb429f40e43ba9afb4c [0,1,0,0,0,1|0,0,0]=2 3154 B13R0.306 CCCCC(CC)NCCC(=O)OC 30b12f36a3e8ef6139aefb21340b9a0f [0,1,0,0,0,1|0,0,0]=2 3155 B13R0.306 CCCCC(CC)NCCC(C)CO 840342afea96af554d24df565035a283 [0,1,0,0,0,1|1,0,1]=4 3156 B13R0.306 CCCCC(CC)NCCC(O)CO e2725fb9211937da3d85c1439c0a098b [0,1,0,0,0,1|0,0,2]=4 3157 B13R0.306 CCCCC(CC)NCC[C@@H](C)CO 7d72419c575dd65c70348ab3e15aa8e1 [0,1,0,0,0,1|1,0,1]=4 3158 B13R0.306 CCCCC(CC)OCCC(=O)NC 5dda00947d9855682faa0f0351d571f4 [0,1,0,0,0,1|1,0,0]=3 3159 B13R0.306 CCCCC(CC)OCCC(=O)OC 2dd64f95d6a7e8886d5a3bc9b4f20414 [0,1,0,0,0,1|0,0,0]=2 3160 B13R0.306 CCCCC(CC)OCCC(C)OC 020a8101a45e2309a906f5339f9603ea [0,1,0,0,0,1|1,0,1]=4 3161 B13R0.306 CCCCC(CC)OCCN(C)C=O ff948c6d24997c21c06ca563f69fab0d [0,1,0,0,0,1|2,0,0]=4 3162 B13R0.306 CCCCC(CC)OCCS(=O)CC 731194aa0a5016c84da10a47b81131a5 [0,1,0,0,0,1|2,0,0]=4 3163 B13R0.306 CCCCC(CC)OCOC(=O)CC 33f0432367a469bd259bb508353a15dc [0,1,0,0,0,1|2,0,0]=4 3164 B13R0.306 CCCCC(CC)OCOC(=O)OC cac2d06580c92211003f7074dad14e4f [0,1,0,0,0,1|1,0,0]=3 3165 B13R0.306 CCCCC(CO)NCCC(=O)NC 14556eca7521845b44e1d692b972304a [0,1,0,0,0,1|2,0,0]=4 3166 B13R0.306 CCCCC(CO)NCCC(=O)NO 7c50a872c4ab27c89de31fda7f075200 [0,1,0,0,0,1|1,0,0]=3 3167 B13R0.306 CCCCC(CO)NCCC(=O)OC 01a35b02f8109c29463c483a0e41586c [0,1,0,0,0,1|1,0,0]=3 3168 B13R0.306 CCCCC(CO)NCOC(=O)OC 665f5da89c94b5365fde3d2a44da1094 [0,1,0,0,0,1|2,0,0]=4 3169 B13R0.306 CCCCN(CC)C/C=C/C(=O)OC ff8b55001a75db20da3bec396fed6114 [0,1,0,0,0,1|1,0,1]=4 3170 B13R0.306 CCCCN(CC)C/C=C\C(=O)OC 07f2a57f40a5bb850c08603d3d98a121 [0,1,0,0,0,1|1,0,1]=4 3171 B13R0.306 CCCCN(CC)CC=CC(=O)OC 35a83eea4b4617b2c3745289c113bf0d [0,1,0,0,0,1|1,0,1]=4 3172 B13R0.306 CCCCN(CC)CCCC(=O)NC 537bd224334d56a4feb1c368071e85b0 [0,1,0,0,0,1|2,0,0]=4 3173 B13R0.306 CCCCN(CC)CCCC(=O)OC d7fbaa5da3d319fae356830c15c78ea3 [0,1,0,0,0,1|1,0,0]=3 3174 B13R0.306 CCCCN(CC)CCNC(=O)C=O b54669f73ae428e1137ea90eec9f8d60 [0,1,0,0,0,1|1,0,1]=4 3175 B13R0.306 CCCCN(CC)CCNC(=O)CC bd716c8df5c4f0b65a97a05bb7a5a867 [0,1,0,0,0,1|2,0,0]=4 3176 B13R0.306 CCCCN(CC)CCNC(=O)CF 383871cc1bff6638be4a811043b0ace2 [0,1,0,0,0,1|2,0,0]=4 3177 B13R0.306 CCCCN(CC)CCNC(=O)CO 8a000517270cd652c0cb5212f4f995ba [0,1,0,0,0,1|1,0,0]=3 3178 B13R0.306 CCCCN(CC)CCNC(=O)CS b8bf74732ad3002272b8562685f3ccfd [0,1,0,0,0,1|1,1,0]=4 3179 B13R0.306 CCCC[C@@H](CC)CNCC(=O)NC f0326baeb40d74407bb3333cd81cad0a [0,1,0,0,0,1|1,0,0]=3 3180 B13R0.306 CCCC[C@@H](CC)CNCC(=O)NO b75a483a26d7da11b4d4b354105d2192 [0,1,0,0,0,1|0,0,0]=2 3181 B13R0.306 CCCC[C@@H](CC)CNCC(=O)OC 1f21af3f8271e148a85d4b4b324c88f6 [0,1,0,0,0,1|0,0,0]=2 3182 B13R0.306 CCCC[C@@H](CC)CNCC(C)CO 3596d62bd1db94baa393680fbd7b896b [0,1,0,0,0,1|1,0,1]=4 3183 B13R0.306 CCCC[C@@H](CC)CNCC(F)CO 45fb9b3f16a6337466ea7bf8e2414c51 [0,1,0,0,0,1|1,0,1]=4 3184 B13R0.306 CCCC[C@@H](CC)CNCC(O)CC f1f041d96c7296413fe2ca0a04511322 [0,1,0,0,0,1|1,0,1]=4 3185 B13R0.306 CCCC[C@@H](CC)CNCC(O)CO 66b0e5c6644930d4090dbb7d6834d60d [0,1,0,0,0,1|0,0,2]=4 3186 B13R0.306 CCCC[C@@H](CC)CNC[C@@H](C)OC f411ab6a8db26e39e9bf199272549ad9 [0,1,0,0,0,1|1,0,1]=4 3187 B13R0.306 CCCC[C@@H](CC)CNC[C@@H](F)CO 8da36da992769304941c21ee69862215 [0,1,0,0,0,1|1,0,1]=4 3188 B13R0.306 CCCC[C@@H](CC)CNC[C@@H](O)CO 8fd193ed598034e146fdc1305c2f4544 [0,1,0,0,0,1|0,0,2]=4 3189 B13R0.306 CCCC[C@@H](CC)CNC[C@H](C)CO 5ca205762c2914cc8e1598f88e15c4eb [0,1,0,0,0,1|1,0,1]=4 3190 B13R0.306 CCCC[C@@H](CC)CNC[C@H](C)OC 5b33f5e7a94bd24ce9492a40c82a793a [0,1,0,0,0,1|1,0,1]=4 3191 B13R0.306 CCCC[C@@H](CC)CNC[C@H](F)CO 2d909279e825eb5d8dc8cf921c1f9e2a [0,1,0,0,0,1|1,0,1]=4 3192 B13R0.306 CCCC[C@@H](CC)CNC[C@H](O)CC b638be895c7375103f8671d513017457 [0,1,0,0,0,1|1,0,1]=4 3193 B13R0.306 CCCC[C@@H](CC)CNC[C@H](O)CO bcf06e935ef794c34ac2dd8558f0e461 [0,1,0,0,0,1|0,0,2]=4 3194 B13R0.306 CCCC[C@@H](CC)COC/C(=C/I)/C 22b019e501195b4f26d218dfd7ccfa43 [0,1,0,0,0,1|2,0,0]=4 3195 B13R0.306 CCCC[C@@H](CC)COCC(=CI)C 3c10b515e5bd9da4712f90202cbd9d89 [0,1,0,0,0,1|2,0,0]=4 3196 B13R0.306 CCCC[C@@H](CC)COCC(=O)CC b5e77b570ac329132e7510362115d353 [0,1,0,0,0,1|1,0,0]=3 3197 B13R0.306 CCCC[C@@H](CC)COCC(=O)NC 1ec9689cd29bb65e7a81ba94805af46f [0,1,0,0,0,1|1,0,0]=3 3198 B13R0.306 CCCC[C@@H](CC)COCC(=O)OC 03b9b05510d1b6f7283fe20d3eae709f [0,1,0,0,0,1|0,0,0]=2 3199 B13R0.306 CCCC[C@@H](CC)COCC(C)OC 3ad9977abed15494d82c493651d59cf4 [0,1,0,0,0,1|1,0,1]=4 3200 B13R0.306 CCCC[C@@H](CC)COC[C@@H](C)OC ecc385a2d16eab70629ad92317f4f285 [0,1,0,0,0,1|1,0,1]=4 3201 B13R0.306 CCCC[C@@H](CC)COC[C@H](C)OC e07b4928e67e21d512513cea2c46a80c [0,1,0,0,0,1|1,0,1]=4 3202 B13R0.306 CCCC[C@@H](CO)NCCC(=O)NC 9c35896607e92a8ecdfd3befef07835a [0,1,0,0,0,1|2,0,0]=4 3203 B13R0.306 CCCC[C@@H](CO)NCCC(=O)OC fbdf4183c0483419a8887b7340a23019 [0,1,0,0,0,1|1,0,0]=3 3204 B13R0.306 CCCC[C@@H](CO)NCOC(=O)OC e176db85b5f12d3ab72d67495f475d49 [0,1,0,0,0,1|2,0,0]=4 3205 B13R0.306 CCCC[C@H](CO)NCCC(=O)NC e038332a89a9e7f6bc408766202fdb47 [0,1,0,0,0,1|2,0,0]=4 3206 B13R0.306 CCCC[C@H](CO)NCCC(=O)OC db67dcf6fa1bd57462c5a98a76c513f5 [0,1,0,0,0,1|1,0,0]=3 3207 B13R0.306 CCCC[C@H](CO)NCOC(=O)OC cba4116f335bca9a20ff8a152f00fc58 [0,1,0,0,0,1|2,0,0]=4 3208 B13R0.306 CCN(CCCC(=O)OC)CCOC f627a4c1cf7994f6af4f52f66e165445 [0,1,0,0,0,1|2,0,0]=4 3209 B13R0.306 CCN(CCCO)CCCC(=O)OC 971a1db311a693be765660bf7a9bce2e [0,1,0,0,0,1|2,0,0]=4 3210 B13R0.306 COC(=O)CCNC(CO)CCCO 8730286e68a1cb36cad9ab151f7a7206 [0,1,0,0,0,1|2,0,0]=4 3211 B13R0.306 COC(=O)CCNC(CO)CCSC 82f0836aa8aabc72e940c109afc33a8c [0,1,0,0,0,1|2,0,0]=4 3212 B13R0.306 COC(=O)CCN[C@@H](CO)CCSC d1ac35d22655158e95d6041b60444768 [0,1,0,0,0,1|2,0,0]=4 3213 B13R0.306 COC(=O)CCN[C@H](CO)CCSC 1387324abda745402d1c48aa2f5ff3e3 [0,1,0,0,0,1|2,0,0]=4 3214 B13R0.306 COC(=O)CNCC(CO)CCSC ef00e667691a0689c5d6f6ef68f8a690 [0,1,0,0,0,1|2,0,0]=4 3215 B13R0.306 CSCCC(CO)CNCC(=O)CO 29c46c15db4635ab00db7b2237af5efd [0,1,0,0,0,1|2,0,0]=4 3216 B13R0.307 CCCCC(CC)CNCC(C)(C)O 19d8388fad4cb24ec76793ccd1d5c94a [0,1,0,0,0,1|1,0,1]=4 3217 B13R0.307 CCCCC(CC)CNCS(=O)(=O)C ef7e776bca1d4e1bf8063c94a454824a [0,1,0,0,0,1|1,0,1]=4 3218 B13R0.307 CCCCC(CC)CNCS(=O)(=O)O c388fe0dea4bb0a419e44e99eb5bc513 [0,1,0,0,0,1|1,0,0]=3 3219 B13R0.307 CCCCC(CC)COCC(C)(C)O a303010ad937b44850013bd720299087 [0,1,0,0,0,1|1,0,1]=4 3220 B13R0.307 CCCCC(CC)COCS(=O)(=O)C f835f41aaee52336864991a1a78a2147 [0,1,0,0,0,1|1,0,1]=4 3221 B13R0.307 CCCCC(CC)NCCC(C)(C)O 9509d9626dadd4a347a4a338e9d6c0da [0,1,0,0,0,1|1,0,1]=4 3222 B13R0.307 CCCCC(CC)NCCS(=O)(=O)C ac74d0ef11588f896edf3405542cebb0 [0,1,0,0,0,1|1,0,1]=4 3223 B13R0.307 CCCCC(CC)NCCS(=O)(=O)N 444b17ad164a3c57f85a596bc39276a1 [0,1,0,0,0,1|1,0,1]=4 3224 B13R0.307 CCCCC(CC)NCCS(=O)(=O)O c0be1d552f183873ba5078f401f315aa [0,1,0,0,0,1|1,0,0]=3 3225 B13R0.307 CCCCC(CC)OCCC(C)(C)O 93d32b18915bed95a881c7f9ce0a5ef4 [0,1,0,0,0,1|1,0,1]=4 3226 B13R0.307 CCCCC(CC)OCCS(=N)(=O)C b784ffefad3e93e615790b07f8a18023 [0,1,0,0,0,1|2,0,0]=4 3227 B13R0.307 CCCCC(CC)OCCS(=O)(=O)C d57ad63f653047c0ac25b96b91c3abc1 [0,1,0,0,0,1|1,0,1]=4 3228 B13R0.307 CCCCC(CC)OCCS(=O)(=O)O a2336450b02798483317320214c1fa8f [0,1,0,0,0,1|1,0,0]=3 3229 B13R0.307 CCCCC(CO)NCCS(=O)(=O)O 90ea96a7e39d1ae4f8390cc98617ca94 [0,1,0,0,0,1|2,0,0]=4 3230 B13R0.307 CCCCN(CC)CCCS(=O)(=O)O 7e19b14c200a433fbab5496fadffad0a [0,1,0,0,0,1|2,0,0]=4 3231 B13R0.307 CCCC[C@@H](CC)CNCC(C)(C)O 5197c7d6585fbb35a79a37ac1e1b5bdd [0,1,0,0,0,1|1,0,1]=4 3232 B13R0.307 CCCC[C@@H](CC)CNCS(=O)(=O)O 0d42c4eb0ede2c90068268b1a4148195 [0,1,0,0,0,1|1,0,0]=3 3233 B13R0.307 CCCC[C@@H](CO)NCCS(=O)(=O)O 004eb9b9fca667037e5507c648bf871b [0,1,0,0,0,1|2,0,0]=4 3234 B13R0.307 CCCC[C@H](CO)NCCS(=O)(=O)O d3d66d18bb6f6746d78f35b962676ba3 [0,1,0,0,0,1|2,0,0]=4 3235 B13R0.378 CCCCC(CC)N(C)CCC(=O)N a7c6babbeb05e9da57d5f8be39bbf762 [0,1,0,0,0,1|1,0,0]=3 3236 B13R0.378 CCCCC(CC)N(C)CCC(C)O 309cd163a59e5b4eeeaad9d3f568b776 [0,1,0,0,0,1|1,0,1]=4 3237 B13R0.378 CCCCC(CO)N(C)CCC(=O)N 0c511fb61577bb501cff4e7eb79bc27b [0,1,0,0,0,1|2,0,0]=4 3238 B13R0.378 CCCCC(CO)N(C)CCC(=O)O b3dbc0bdc696f8d01005f2bf85a7e40f [0,1,0,0,0,1|1,0,0]=3 3239 B13R0.378 CCCCN(CC)C(=O)CCC(=O)C 3e6bdbdc9a3d809bc9eacbc18117373e [0,1,0,0,0,1|2,0,0]=4 3240 B13R0.378 CCCCN(CC)C(=O)CCC(=O)N 868b52888709effb440c3d6eb005155b [0,1,0,0,0,1|2,0,0]=4 3241 B13R0.378 CCCCN(CC)C(=O)NCC(=O)O b0ef80953b2e6ffa35e80b4642ec07b7 [0,1,0,0,0,1|1,0,1]=4 3242 B13R0.378 CCCCN(CC)C(=S)NCC(=O)O 1f8d235e48ede5a8c844496a3d91b727 [0,1,0,0,0,1|1,0,1]=4 3243 B13R0.378 CCCCN(CC)C(C)CCC(=O)O cc2295ba2d29c336a1a421204f3d9b49 [0,1,0,0,0,1|1,0,0]=3 3244 B13R0.378 CCCNC(CC)C(=O)NCC(=O)O 5c8e47097710c097da595ad0e4bb1c8f [0,1,0,0,0,1|1,0,1]=4 3245 B13R0.378 CCCN[C@@H](CC)C(=O)NCC(=O)O e0e42521e80292063c77e9bb845de8db [0,1,0,0,0,1|1,0,1]=4 3246 B13R0.378 CCN(CCCO)C(C)CCC(=O)O 122a6f458e1098489679862c5210ec8b [0,1,0,0,0,1|2,0,0]=4 3247 B13R0.519 C=C(Br)COCC(CCC)CCCC b15c9a81e5731ef0ab0c3b997b8c40d1 [0,1,0,0,0,1|2,0,0]=4 3248 B13R0.519 C=C(C)CCOC(CCC)CCCC 9d6a904990999be6de5e450fd494d802 [0,1,0,0,0,1|2,0,0]=4 3249 B13R0.519 C=C(C)COCC(CCC)CCCC adab98f756341d55c867e053159753ed [0,1,0,0,0,1|2,0,0]=4 3250 B13R0.519 C=C(Cl)COCC(CCC)CCCC 6ed1abd247f356161c88289a16bca220 [0,1,0,0,0,1|2,0,0]=4 3251 B13R0.519 C=C(F)COCC(CCC)CCCC d3b6288ad96c81d748540a55ca0d6ef7 [0,1,0,0,0,1|2,0,0]=4 3252 B13R0.519 C=CCC(CCCC)OCCC(=O)C 600088a357ddbfa8ab4f90f966da09c8 [0,1,0,0,0,1|1,0,1]=4 3253 B13R0.519 C=CCC(CCCC)OCCC(=O)N fee246ee5aed222e4d49c1a4ca24ab11 [0,1,0,0,0,1|1,0,1]=4 3254 B13R0.519 CCCCC(CCC)COCC(=O)N b5c6ec842aa3ae0867a8e8a1fe390852 [0,1,0,0,0,1|1,0,0]=3 3255 B13R0.519 CCCCC(CCC)COCC(=O)O 56013de1a35fd1c7b5c307645a37e790 [0,1,0,0,0,1|0,0,0]=2 3256 B13R0.519 CCCCC(CCC)COC[N+](=O)[O-] 55d98d4c0d03831b50426791b5a724b8 [0,1,0,0,0,1|1,0,1]=4 3257 B13R0.519 CCCCC(CCC)OCCC(=O)C 8985b15af6a03630b3979d567af0191d [0,1,0,0,0,1|1,0,0]=3 3258 B13R0.519 CCCCC(CCC)OCCC(=O)N 0a1b9830bdc3f54fef73ecff93efb88c [0,1,0,0,0,1|1,0,0]=3 3259 B13R0.519 CCCCC(CCC)OCCC(=O)O e19cf1baaa50abaec4824380b8434cd7 [0,1,0,0,0,1|0,0,0]=2 3260 B13R0.519 CCCCC(CCC)OCCS(=O)C ae94ce80a9730fcf6e818d48d7582413 [0,1,0,0,0,1|2,0,0]=4 3261 B13R0.519 CCCCC(CCC)OCOC(=O)C fad1f5c9230675c13b8fb2e8550b5b1c [0,1,0,0,0,1|2,0,0]=4 3262 B13R0.519 CCCCC(CCC)OCSC(=O)N ff50043c771f2e835128c9750feffce4 [0,1,0,0,0,1|2,0,0]=4 3263 B13R0.519 CCCCN(C/C=C/C(=O)O)CCC d5be2bff645b5e66fcc672081d2fc5b4 [0,1,0,0,0,1|1,0,1]=4 3264 B13R0.519 CCCCN(C/C=C/C(=O)O)CCO 633708649fa5a672b05c36ad221e1aec [0,1,0,0,0,1|1,0,1]=4 3265 B13R0.519 CCCCN(C/C=C/C(=O)O)CCS 4e562de024c52d2ebb45d4f49ed52d39 [0,1,0,0,0,1|1,0,1]=4 3266 B13R0.519 CCCCN(CC=CC(=O)O)CCC c4fa4fa8eb87dd86fe252c372037009f [0,1,0,0,0,1|1,0,1]=4 3267 B13R0.519 CCCCN(CC=CC(=O)O)CCO 733b9151eb8bf84ab2c1c5014a74b406 [0,1,0,0,0,1|1,0,1]=4 3268 B13R0.519 CCCCN(CC=CC(=O)O)CCS 35b82395edb93e9ff406bbab49a8832e [0,1,0,0,0,1|1,0,1]=4 3269 B13R0.519 CCCCN(CCC)CCCC(=O)C f6715d91b4ff8c460c2973e8344c756e [0,1,0,0,0,1|2,0,0]=4 3270 B13R0.519 CCCCN(CCC)CCCC(=O)N 08e0a12b3aca57c9399559a3a2ece879 [0,1,0,0,0,1|2,0,0]=4 3271 B13R0.519 CCCCN(CCC)CCNC(=O)C 48d7d209e7984cd2bbd6f3f2c8f1a4a0 [0,1,0,0,0,1|2,0,0]=4 3272 B13R0.519 CCCCN(CCC)CCNC(=O)N ca21c05b2ffaa63e0832b641af5bf4e3 [0,1,0,0,0,1|2,0,0]=4 3273 B13R0.519 CCCCN(CCC)CCOC(=O)C 1a5610079e71623136c1acc9003624e6 [0,1,0,0,0,1|2,0,0]=4 3274 B13R0.519 CCCCN(CCC)CCSC(=O)C 077c6c34991b740bde0eec359562d430 [0,1,0,0,0,1|2,0,0]=4 3275 B13R0.519 CCCCN(CCO)CCCC(=O)C 399eb6786a110253dfd759159fcb031a [0,1,0,0,0,1|2,0,0]=4 3276 B13R0.519 CCCCN(CCO)CCCC(=O)N 11bdd243d551f2fd809df8999dc85d0c [0,1,0,0,0,1|2,0,0]=4 3277 B13R0.519 CCCCN(CCO)CCNC(=O)C ad3c4abe5d6dc8dd28090f44ad9deeeb [0,1,0,0,0,1|2,0,0]=4 3278 B13R0.519 CCCCN(CCO)CCNC(=O)N ca8a28cec9a1cea3f95522533792be8c [0,1,0,0,0,1|2,0,0]=4 3279 B13R0.519 CCCCN(CCO)CCOC(=O)C 9812ba058d0f47ad392d7b93674641eb [0,1,0,0,0,1|2,0,0]=4 3280 B13R0.519 CCCCN(CCO)CCSC(=O)C 14bf195c885ba4b5e7c4c6dc445f68a0 [0,1,0,0,0,1|2,0,0]=4 3281 B13R0.519 CCCCN(CCS)CCCC(=O)C 40d32b000edb899934a07e84eac07fe0 [0,1,0,0,0,1|2,0,0]=4 3282 B13R0.519 CCCCN(CCS)CCCC(=O)N 687b796d049f9c892ac333151bbd60db [0,1,0,0,0,1|2,0,0]=4 3283 B13R0.519 CCCCN(CCS)CCNC(=O)C 97930235fb6abfd1726db510f533fa1b [0,1,0,0,0,1|2,0,0]=4 3284 B13R0.519 CCCCN(CCS)CCNC(=O)N e296cd041aa6130b74c6ab74ccb34944 [0,1,0,0,0,1|2,0,0]=4 3285 B13R0.519 CCCCN(CCS)CCOC(=O)C d6835f4ffdeba6e8641f28c58d8c78ed [0,1,0,0,0,1|2,0,0]=4 3286 B13R0.519 CCCCN(CCS)CCSC(=O)C a16c967aa4288f4ff6c90a2eeb286f11 [0,1,0,0,0,1|2,0,0]=4 3287 B13R0.519 CCCN(CCCO)CCCC(=O)O ff06e3732826951c79850ee379881a60 [0,1,0,0,0,1|2,0,0]=4 3288 B13R0.519 O=C(O)CCCN(CCO)CCCO dbe4adf0ecea383695ef9fec4259fb93 [0,1,0,0,0,1|2,0,0]=4 3289 B13R0.1186 C=CC(CCCC)OC(C)CC(=O)O 70792802d47893a4b4056860c2413dce [0,1,0,0,0,1|0,0,2]=4 3290 B13R0.1186 CC#CCC(CC)OC(C)CC(=O)O 808cfb20b1d053843e5ed698076952f8 [0,1,0,0,0,1|0,0,2]=4 3291 B13R0.1186 CCCCC(CC)CN(C)CC(=O)N 521ecd5169d63f068f6186c93e55881e [0,1,0,0,0,1|1,0,0]=3 3292 B13R0.1186 CCCCC(CC)CN(C)CC(=O)O 25991ccff3ae9927c581d5de63907f79 [0,1,0,0,0,1|0,0,0]=2 3293 B13R0.1186 CCCCC(CC)CN(C)CC(C)O dd07b1a890e13d013baa5ebf7105bc5c [0,1,0,0,0,1|1,0,1]=4 3294 B13R0.1186 CCCCC(CC)CN(C)C[C@H](C)O a91508881347d56ee6b73d81d81d5db7 [0,1,0,0,0,1|1,0,1]=4 3295 B13R0.1186 CCCCC(CC)NC(C)CC(=O)O 874bbae896f658ddd6148886e37d3c1a [0,1,0,0,0,1|0,0,0]=2 3296 B13R0.1186 CCCCC(CC)NC(C)CC(C)O 598597f37d90fb9539bc9e93eefb4a9f [0,1,0,0,0,1|1,0,1]=4 3297 B13R0.1186 CCCCC(CC)N[C@@H](C)CC(=O)O cb21fda74985acdd16f93c8c2720583c [0,1,0,0,0,1|0,0,0]=2 3298 B13R0.1186 CCCCC(CC)N[C@H](C)CC(=O)O d2903c802c9fa10d384b81a23fd24375 [0,1,0,0,0,1|0,0,0]=2 3299 B13R0.1186 CCCCC(CC)OC(C)CC(=O)N 2e29d5a8de3959dcf59294009db0b6bf [0,1,0,0,0,1|1,0,0]=3 3300 B13R0.1186 CCCCC(CC)OC(C)CC(=O)O c5c91bee708ed5f426825c175a3b30dc [0,1,0,0,0,1|0,0,0]=2 3301 B13R0.1186 CCCCC(CC)OC(C)C[N+](=O)[O-] 382b4e41397eca0186f17ce5c21cdff8 [0,1,0,0,0,1|1,0,1]=4 3302 B13R0.1186 CCCCC(CC)OC(C)OC(=O)C b2dd1f2928beb428a99b1b55b0dd78ad [0,1,0,0,0,1|2,0,0]=4 3303 B13R0.1186 CCCCC(CC)O[C@@H](C)CC(=O)O dcb9f1270599213b60ecb5360c85a823 [0,1,0,0,0,1|0,0,0]=2 3304 B13R0.1186 CCCCC(CC)O[C@H](C)CC(=O)O 7d603d8aaba218d2bd31afe0059303d6 [0,1,0,0,0,1|0,0,0]=2 3305 B13R0.1186 CCCCC(CO)NC(C)CC(=O)O 9ec51c16edf3d132cec41e163a4360bc [0,1,0,0,0,1|1,0,0]=3 3306 B13R0.1186 CCCCN(CC)CC(=O)CC(=O)O 017a71330d010cd922ee7ec445f97867 [0,1,0,0,0,1|1,0,0]=3 3307 B13R0.1186 CCCC[C@@H](CC)CN(C)CC(=O)N 8cc756b1f24210701955712ae5a2b342 [0,1,0,0,0,1|1,0,0]=3 3308 B13R0.1186 CCCC[C@@H](CC)CN(C)CC(=O)O bf8efe7a86b30a5d2725ca1718a376a5 [0,1,0,0,0,1|0,0,0]=2 3309 B13R0.1186 CCCC[C@@H](CC)CN(C)CC(C)O 2c51f46768246051534bd0dc5278ade8 [0,1,0,0,0,1|1,0,1]=4 3310 B13R0.1186 CCCC[C@@H](CC)CN(C)C[C@H](C)O 4791a5903368861e0a97bc5c7037e260 [0,1,0,0,0,1|1,0,1]=4 3311 B13R0.1186 CCCC[C@@H](CO)NC(C)CC(=O)O 18f1c4e8dfa0aa1d0800a28ff481ad28 [0,1,0,0,0,1|1,0,0]=3 3312 B13R0.1186 CCCC[C@H](CO)NC(C)CC(=O)O 353155e02dc324b1400672db9a1f3d5c [0,1,0,0,0,1|1,0,0]=3 3313 B13R0.1186 CCN(CCCO)CC(=O)CC(=O)O 5c850cd8f7c3486bd011a736db2eafe7 [0,1,0,0,0,1|2,0,0]=4 3314 B13R0.1186 CCN(CCOC)CC(=O)CC(=O)O dbbbf3698100f92289262598dcd0fed2 [0,1,0,0,0,1|2,0,0]=4 3315 B13R0.1186 CSCCC(CO)NC(C)CC(=O)O 0e8171e4e9cad88180f0729af2755ccd [0,1,0,0,0,1|2,0,0]=4 3316 B13R0.1186 CSCC[C@@H](CO)NC(C)CC(=O)O ebf39365ae6d170222b65bb7647a9ea5 [0,1,0,0,0,1|2,0,0]=4 3317 B13R0.1186 CSCC[C@H](CO)NC(C)CC(=O)O 0aac182ee2a5407e8c0060a7cd5539e0 [0,1,0,0,0,1|2,0,0]=4 3318 B13R0.1188 C#CC(CCCC)OCC(C)C(=O)O df9eb06e621b74cfd986aacd2d4de4e1 [0,1,0,0,0,1|0,0,2]=4 3319 B13R0.1188 C=C(CNC(CO)CCCC)C(=O)O 59755543e65d3b1046c32985c67d8d74 [0,1,0,0,0,1|1,0,1]=4 3320 B13R0.1188 C=C(CN[C@@H](CO)CCCC)C(=O)O 02d6c82527efde8c3e3eb9f6779093cc [0,1,0,0,0,1|1,0,1]=4 3321 B13R0.1188 C=C(CN[C@H](CO)CCCC)C(=O)O b07d120a4007db44ce8d1d5656d1851e [0,1,0,0,0,1|1,0,1]=4 3322 B13R0.1188 C=C(COC(CC)CCCC)C(=O)O b9263f94b106afcc94133d3a6e115d4f [0,1,0,0,0,1|0,0,1]=3 3323 B13R0.1188 C=C(I)[C@H](C)COC(CC)CCCC 2cb99bf002e24db9e88f9838e11fbef6 [0,1,0,0,0,1|2,0,0]=4 3324 B13R0.1188 C=CC(CCCC)OCC(C)C(=O)O 605d9580d0de64ed3e5375c09b7380d4 [0,1,0,0,0,1|0,0,2]=4 3325 B13R0.1188 CC#CCC(CC)OCC(C)C(=O)O 9afae6c7a73d88c0e68e95a5abcd5bf0 [0,1,0,0,0,1|0,0,2]=4 3326 B13R0.1188 CC(CNC(CO)CCCO)C(=O)O 4d718ac24af95bf32f615ec4f4ba4e54 [0,1,0,0,0,1|2,0,0]=4 3327 B13R0.1188 CCCCC(CC)CNC(=O)C(=O)C 9dca357f07bfab1ec00fb65ac6142a84 [0,1,0,0,0,1|1,0,1]=4 3328 B13R0.1188 CCCCC(CC)CNC(=O)C(=O)N f9f7e0a47f5e8d063abe6e30c6cf75ee [0,1,0,0,0,1|1,0,1]=4 3329 B13R0.1188 CCCCC(CC)CNC(C)C(=O)C 4537b13402dd3724d5f2729ecf71200a [0,1,0,0,0,1|1,0,0]=3 3330 B13R0.1188 CCCCC(CC)CNC(C)C(=O)N 909b32d2cae5f6dcd414f8d924982efb [0,1,0,0,0,1|1,0,0]=3 3331 B13R0.1188 CCCCC(CC)CNC(C)C(=O)O b65bc1109c64f17139a6eb42310fc014 [0,1,0,0,0,1|0,0,0]=2 3332 B13R0.1188 CCCCC(CC)CNC(C)C(C)O e0b9eb25a69153aea1597bcf76af5ff6 [0,1,0,0,0,1|1,0,1]=4 3333 B13R0.1188 CCCCC(CC)CNC(O)C(=O)O 437d0e991fbcc6056d0337c7bf3186ad [0,1,0,0,0,1|0,0,0]=2 3334 B13R0.1188 CCCCC(CC)CN[C@@H](C)C(=O)N d370d5674b6fd6d21df184b2866790f3 [0,1,0,0,0,1|1,0,0]=3 3335 B13R0.1188 CCCCC(CC)CN[C@@H](C)C(=O)O f03ebcebfa4e927e20bb75f52480b356 [0,1,0,0,0,1|0,0,0]=2 3336 B13R0.1188 CCCCC(CC)CN[C@H](C)C(=O)N 04e07e70523c7472a1bd77d146dc548e [0,1,0,0,0,1|1,0,0]=3 3337 B13R0.1188 CCCCC(CC)CN[C@H](C)C(=O)O 9e1f0166789cf496a82e7b8b65d63a51 [0,1,0,0,0,1|0,0,0]=2 3338 B13R0.1188 CCCCC(CC)COC(C)C(=O)C 33c95288226b99793377057afdea6f68 [0,1,0,0,0,1|1,0,0]=3 3339 B13R0.1188 CCCCC(CC)COC(C)C(=O)N 8b4cd593bd974b2d08c8b8d3c90346b3 [0,1,0,0,0,1|1,0,0]=3 3340 B13R0.1188 CCCCC(CC)COC(C)C(=O)O 0047028c316fa17d883d1c5fa7692ea4 [0,1,0,0,0,1|0,0,0]=2 3341 B13R0.1188 CCCCC(CC)COC(F)C(=O)N ea4e9e6de3ab4f276cddc0231a08c14b [0,1,0,0,0,1|1,0,0]=3 3342 B13R0.1188 CCCCC(CC)CO[C@@H](C)C(=O)N 0dd04e1afd077493e7bf4eb1615574eb [0,1,0,0,0,1|1,0,0]=3 3343 B13R0.1188 CCCCC(CC)CO[C@@H](C)C(=O)O 7d5432a337ebeaadb20edc0ec18efe58 [0,1,0,0,0,1|0,0,0]=2 3344 B13R0.1188 CCCCC(CC)CO[C@H](C)C(=O)N dcbd32fa5477049a1a8365b0da8ac985 [0,1,0,0,0,1|1,0,0]=3 3345 B13R0.1188 CCCCC(CC)CO[C@H](C)C(=O)O 716f87d96bfdb220b40640b52ef2664f [0,1,0,0,0,1|0,0,0]=2 3346 B13R0.1188 CCCCC(CC)NCC(C)C(=O)O d1c3e72fffff71e8bf40dcac00ee667d [0,1,0,0,0,1|0,0,0]=2 3347 B13R0.1188 CCCCC(CC)NCC(O)C(=O)O 6b6082e7ae5ab2e4be6bb2d9a17f13d1 [0,1,0,0,0,1|0,0,0]=2 3348 B13R0.1188 CCCCC(CC)NC[C@@H](C)C(=O)O 0588ae565c324f0a5124eb194aa8bfb0 [0,1,0,0,0,1|0,0,0]=2 3349 B13R0.1188 CCCCC(CC)NC[C@@H](O)C(=O)O 503182a8aea930f040d7f603566b486d [0,1,0,0,0,1|0,0,0]=2 3350 B13R0.1188 CCCCC(CC)NC[C@H](C)C(=O)O 13c6ab05ccc596e0e7f6b895eb5c0d8b [0,1,0,0,0,1|0,0,0]=2 3351 B13R0.1188 CCCCC(CC)NC[C@H](O)C(=O)O 0868d44fb0fbd846aebc43e54b42f76b [0,1,0,0,0,1|0,0,0]=2 3352 B13R0.1188 CCCCC(CC)OCC(=O)C(=O)C fa61be44c9e5de83fc30884f01941d2d [0,1,0,0,0,1|1,0,1]=4 3353 B13R0.1188 CCCCC(CC)OCC(C)C(=O)C 611a3d5f7dcd7b6ca514063e1a5f4155 [0,1,0,0,0,1|1,0,0]=3 3354 B13R0.1188 CCCCC(CC)OCC(C)C(=O)O 1f716f7d530ffb2445a6a46a97db307d [0,1,0,0,0,1|0,0,0]=2 3355 B13R0.1188 CCCCC(CC)OCC(C)[N+](=O)[O-] 4c2a4adb50742f73ba1e7d9bc2403926 [0,1,0,0,0,1|1,0,1]=4 3356 B13R0.1188 CCCCC(CC)OC[C@@H](C)C(=O)O a420764c5afe023c210812ff95e6e78b [0,1,0,0,0,1|0,0,0]=2 3357 B13R0.1188 CCCCC(CC)OC[C@H](C)C(=O)O ceb4e7635fb48f2026229f544030cd05 [0,1,0,0,0,1|0,0,0]=2 3358 B13R0.1188 CCCCC(CO)NCC(=O)C(=O)O af6ab65b518648dce87af945b186bd9e [0,1,0,0,0,1|1,0,1]=4 3359 B13R0.1188 CCCCC(CO)NCC(C)C(=O)O 3da337a39baf1018c9cd43374fe71ccb [0,1,0,0,0,1|1,0,0]=3 3360 B13R0.1188 CCCCC(CO)NCC(O)C(=O)O 66a0f0ebb5b4c39cb7d7e71db61a2b93 [0,1,0,0,0,1|1,0,0]=3 3361 B13R0.1188 CCCCC(CO)NC[C@@H](C)C(=O)O 1f8fa2ca13066d45fd84bd0f223ce69a [0,1,0,0,0,1|1,0,0]=3 3362 B13R0.1188 CCCCC(CO)NC[C@H](C)C(=O)O 9b9ec076249708e6d52e914c9f4b62ec [0,1,0,0,0,1|1,0,0]=3 3363 B13R0.1188 CCCCC(CO)NC[C@H](O)C(=O)O 28b839c01d4726084c1e98ab94346a88 [0,1,0,0,0,1|1,0,0]=3 3364 B13R0.1188 CCCC[C@@H](CC)CNC(C)C(=O)N fc33e7c838c65e93af878493e9e9bd2b [0,1,0,0,0,1|1,0,0]=3 3365 B13R0.1188 CCCC[C@@H](CC)CNC(C)C(=O)O 181fc17cf28dcdc73c4f9d44b954451f [0,1,0,0,0,1|0,0,0]=2 3366 B13R0.1188 CCCC[C@@H](CC)CNC(C)C(C)O f1f4c60cce2890d7c262164e38b06e6f [0,1,0,0,0,1|1,0,1]=4 3367 B13R0.1188 CCCC[C@@H](CC)CNC(O)C(=O)O a079aa9b147adc74189e83965a19d9b6 [0,1,0,0,0,1|0,0,0]=2 3368 B13R0.1188 CCCC[C@@H](CC)CN[C@@H](C)C(=O)N 34ebeb69a05f7527e7d57c6cbcb50557 [0,1,0,0,0,1|1,0,0]=3 3369 B13R0.1188 CCCC[C@@H](CC)CN[C@@H](C)C(=O)O d7733d4adc1b980319d58bd560c8662f [0,1,0,0,0,1|0,0,0]=2 3370 B13R0.1188 CCCC[C@@H](CC)CN[C@H](C)C(=O)N fe239fc722f2092f39eac221e78ef9ea [0,1,0,0,0,1|1,0,0]=3 3371 B13R0.1188 CCCC[C@@H](CC)CN[C@H](C)C(=O)O e382e03cea277616dd7f78021e92a8c7 [0,1,0,0,0,1|0,0,0]=2 3372 B13R0.1188 CCCC[C@@H](CC)COC(C)C(=O)C 1cb86018329b702e32bbf283700d916a [0,1,0,0,0,1|1,0,0]=3 3373 B13R0.1188 CCCC[C@@H](CC)COC(C)C(=O)N 166729b6b6a6a03a3281a1730e04f208 [0,1,0,0,0,1|1,0,0]=3 3374 B13R0.1188 CCCC[C@@H](CC)COC(C)C(=O)O c99d24a3c5b785e1696748fb79006526 [0,1,0,0,0,1|0,0,0]=2 3375 B13R0.1188 CCCC[C@@H](CC)CO[C@@H](C)C(=O)N b0cbea5dc3fcb62964196c92bb7f5e9a [0,1,0,0,0,1|1,0,0]=3 3376 B13R0.1188 CCCC[C@@H](CC)CO[C@@H](C)C(=O)O 58c9ff891ed58a7e06cfc2d47cd6b791 [0,1,0,0,0,1|0,0,0]=2 3377 B13R0.1188 CCCC[C@@H](CC)CO[C@H](C)C(=O)N 312087b9cbd0899b7ceef090b17a81f9 [0,1,0,0,0,1|1,0,0]=3 3378 B13R0.1188 CCCC[C@@H](CC)CO[C@H](C)C(=O)O c64815230c1495136308c4f1dddcea38 [0,1,0,0,0,1|0,0,0]=2 3379 B13R0.1188 CCCC[C@@H](CO)NCC(=O)C(=O)O a970b2d7abceb88a75bf6031d7c16283 [0,1,0,0,0,1|1,0,1]=4 3380 B13R0.1188 CCCC[C@@H](CO)NCC(C)C(=O)O 3a6443eeec1a4096e51d5ee704ee4f90 [0,1,0,0,0,1|1,0,0]=3 3381 B13R0.1188 CCCC[C@@H](CO)NCC(O)C(=O)O 821f7861352534160d191b1f7c127c85 [0,1,0,0,0,1|1,0,0]=3 3382 B13R0.1188 CCCC[C@@H](CO)NC[C@H](O)C(=O)O 7d9a440a1b6f99626d78d2d442e486a3 [0,1,0,0,0,1|1,0,0]=3 3383 B13R0.1188 CCCC[C@H](CO)NCC(=O)C(=O)O 71828c5473bed44921e834742326ed08 [0,1,0,0,0,1|1,0,1]=4 3384 B13R0.1188 CCCC[C@H](CO)NCC(C)C(=O)O d65f7e2054f51b214f78aeebadab37c2 [0,1,0,0,0,1|1,0,0]=3 3385 B13R0.1188 CCCC[C@H](CO)NCC(O)C(=O)O ecb2a005a4a74a20f43315c18f7ace92 [0,1,0,0,0,1|1,0,0]=3 3386 B13R0.1188 CCCC[C@H](CO)NC[C@H](O)C(=O)O c635f39db47cc2633bc70f5c750b8c13 [0,1,0,0,0,1|1,0,0]=3 3387 B13R0.1188 CSCCC(CO)NCC(C)C(=O)O d335be9cd5d53a93d94b8ab65315619e [0,1,0,0,0,1|2,0,0]=4 3388 B13R0.1188 CSCCC(CO)NCC(O)C(=O)O 44ea0680ff03734a395561cef60209d6 [0,1,0,0,0,1|2,0,0]=4 3389 B13R0.1188 CSCCC(CO)NC[C@H](O)C(=O)O 852e2abce04776da009ab29017d9bfab [0,1,0,0,0,1|2,0,0]=4 3390 B13R0.1188 CSCC[C@@H](CO)NCC(C)C(=O)O df14835e151afd917152ff059a506f4a [0,1,0,0,0,1|2,0,0]=4 3391 B13R0.1188 CSCC[C@@H](CO)NCC(O)C(=O)O 585c15bef7cedf824bcf53a1dfc74ecd [0,1,0,0,0,1|2,0,0]=4 3392 B13R0.1188 CSCC[C@@H](CO)NC[C@H](O)C(=O)O b6874051ef2660158964ff7e409f4092 [0,1,0,0,0,1|2,0,0]=4 3393 B13R0.1188 CSCC[C@H](CO)NCC(C)C(=O)O e241665134596f27aa3ae8ba13c05598 [0,1,0,0,0,1|2,0,0]=4 3394 B13R0.1188 CSCC[C@H](CO)NCC(O)C(=O)O 9dab8c5241dc9545dd9786f17f5ceff7 [0,1,0,0,0,1|2,0,0]=4 3395 B13R0.1188 CSCC[C@H](CO)NC[C@H](O)C(=O)O 4ddf53bf1f6628921e6c05704dff40be [0,1,0,0,0,1|2,0,0]=4 3396 B13R0.1188 O=C(O)C(O)CNC(CO)CCCO 3280eed18cb696e71b625e0db21d618e [0,1,0,0,0,1|2,0,0]=4 3397 B13R0.1188 O=C(O)[C@@H](O)CNC(CO)CCCO e756bb1ebdfc805789241f1185ba37c9 [0,1,0,0,0,1|2,0,0]=4 3398 B13R0.1298 CC(C)N(CCCO)CCCC(=O)O 55e4014cbefcdbeec7c69a86641ef33d [0,1,0,0,0,1|2,0,0]=4 3399 B13R0.1298 CCCCC(COCC(=O)O)C(=O)O 4d8da063ad91995e303d69f685ed3d40 [0,1,0,0,0,1|1,0,1]=4 3400 B13R0.1298 CCCCC(NCCC(=O)O)C(=O)N fcd0e5791281f29b3d769cb94ea3ca51 [0,1,0,0,0,1|1,0,1]=4 3401 B13R0.1298 CCCCC(NCCC(=O)O)C(=O)O 135eb4df11afbcaac4e169fa38ce51bd [0,1,0,0,0,1|1,0,1]=4 3402 B13R0.1298 CCCCN(C/C=C/C(=O)O)C(C)C a97c3edefab340fda23cf4b4fec36f5b [0,1,0,0,0,1|1,0,1]=4 3403 B13R0.1298 CCCCN(CC=CC(=O)O)C(C)C 2688fa2c1d1e03156cc12e45e9d191a3 [0,1,0,0,0,1|1,0,1]=4 3404 B13R0.1298 CCCCN(CCCC(=O)C)C(C)C b87736e5c19b03051b9937e3e463c941 [0,1,0,0,0,1|2,0,0]=4 3405 B13R0.1298 CCCCN(CCCC(=O)N)C(C)C 9cd3e95f6d9a34c8b423182735b26616 [0,1,0,0,0,1|2,0,0]=4 3406 B13R0.1298 CCCCN(CCNC(=O)C)C(C)C a9ce50e078bd08b0205929dd12f709d3 [0,1,0,0,0,1|2,0,0]=4 3407 B13R0.1298 CCCCN(CCNC(=O)N)C(C)C f92043749a5de879ab38ee2389922c8b [0,1,0,0,0,1|2,0,0]=4 3408 B13R0.1298 CCCCN(CCOC(=O)C)C(C)C 23d56cfbeb9a5eab4532e57dedf66476 [0,1,0,0,0,1|2,0,0]=4 3409 B13R0.1298 CCCCN(CCSC(=O)C)C(C)C 5593c3ae1817e68cf640274e6bb417d6 [0,1,0,0,0,1|2,0,0]=4 3410 B13R0.1298 CCCC[C@@H](COCC(=O)O)C(=O)O aff632c0765e8ca75345b220a5de1af2 [0,1,0,0,0,1|1,0,1]=4 3411 B13R0.1298 CCCC[C@@H](NCCC(=O)O)C(=O)O a3e1e84176ac54885ef1e694e00d978c [0,1,0,0,0,1|1,0,1]=4 3412 B13R0.1298 CCCC[C@H](COCC(=O)O)C(=O)O a70cf37ecc2b0c93dbb5d35aad3e4a85 [0,1,0,0,0,1|1,0,1]=4 3413 B13R0.1298 CCCC[C@H](NCCC(=O)O)C(=O)O 8e71e34760e4b83c0150eab9ddc186d4 [0,1,0,0,0,1|1,0,1]=4 3414 B13R0.1298 COCCN(CCCC(=O)O)C(C)C 06618aab1913680922b2333e91177783 [0,1,0,0,0,1|2,0,0]=4 3415 B13R0.342 CCC(C)N(CCOC)CCC(=O)O 9e353ef0d3ca86e9e10f13752053e6b6 [0,2,0,0,0,0|2,0,0]=4 3416 B13R0.342 CCCCN(CCC(=O)C)C(C)CC a87d6a65eaa6791cdc9b4dff45d0dbd4 [0,2,0,0,0,0|2,0,0]=4 3417 B13R0.342 CCCNC(CCC(=O)O)C(=O)OC 2cf749b2556c4ea0c659506ea6a57dfd [0,2,0,0,0,0|1,0,1]=4 3418 B13R0.342 CCCN[C@@H](CCC(=O)O)C(=O)OC 61cc12a9e7aee213fad2d06c8859b7fc [0,2,0,0,0,0|1,0,1]=4 3419 B13R0.342 CCCN[C@H](CCC(=O)O)C(=O)OC 41170ecadb86bb913a1dc4712ba3ad2c [0,2,0,0,0,0|1,0,1]=4 3420 B13R0.343 CCCCC(CC(=O)O)NCC(=O)O 3cf337086d06cd24fd50a93a124707a6 [0,2,0,0,0,0|1,0,1]=4 3421 B13R0.343 CCCCC(CC(=O)O)OCC(=O)O 70e45bc75e35840a15a7f99f5bf40859 [0,2,0,0,0,0|1,0,1]=4 3422 B13R0.343 CCCCN(CCC(=O)O)CC(=O)O d42d593a6bb12b63cef1402e5a396280 [0,2,0,0,0,0|1,0,1]=4 3423 B13R0.343 CCCNC(CCC(=O)O)CC(=O)O 1c209a3fb4988a5edfb7c513479d647e [0,2,0,0,0,0|1,0,1]=4 3424 B13R0.343 CCCN[C@@H](CCC(=O)O)CC(=O)O 9c126d7ae341c4d6d1a0249ad51be4f8 [0,2,0,0,0,0|1,0,1]=4 3425 B13R0.343 CCCN[C@H](CCC(=O)O)CC(=O)O 5a99b0c586b2fb3053ae4bb6f62b1070 [0,2,0,0,0,0|1,0,1]=4 3426 B13R0.391 C#CCCCN(CCO)CCC(=O)O 7a5d00a28ea2b0f34cdfdf323565e0aa [0,2,0,0,0,0|1,0,1]=4 3427 B13R0.391 C#CCCNC(CCC(=O)O)CSC c58f8b3bd61c7dd21a1230c1ea20b31b [0,2,0,0,0,0|0,0,2]=4 3428 B13R0.391 C/C=C/CNC(CCC(=O)O)CSC 0958607266d2eae90891dac4e5ca4774 [0,2,0,0,0,0|0,0,2]=4 3429 B13R0.391 C/C=C\CNC(CCC(=O)O)CSC 2db33c69fb6fa11aaef88e3f4e9d193e [0,2,0,0,0,0|0,0,2]=4 3430 B13R0.391 C=CCC(CCCCC)OCC(=O)O a7153c0bb4443fd85bed2615ea2118e8 [0,2,0,0,0,0|1,0,1]=4 3431 B13R0.391 C=CCCCN(CCO)CCC(=O)O c3d375f77ef1274163c404937b229822 [0,2,0,0,0,0|1,0,1]=4 3432 B13R0.391 C=CCCNC(CCC(=O)O)CSC 7c5410d5a6ac9a40097fb30b86e64267 [0,2,0,0,0,0|0,0,2]=4 3433 B13R0.391 CC/C=C/CN(CCO)CCC(=O)O 5e23846e57df77cf5b18298693051065 [0,2,0,0,0,0|1,0,1]=4 3434 B13R0.391 CCCCCC(/C=C/C(=O)O)OCC 69a6f18063647134f3c35d819b662f40 [0,2,0,0,0,0|0,0,2]=4 3435 B13R0.391 CCCCCC(CCC(=O)N)OCC a5bdb2ff6e82d0c5c501b03384384b8b [0,2,0,0,0,0|1,0,0]=3 3436 B13R0.391 CCCCCC(CCC(=O)N)OCF 60ccb482b45e8dc832d17f74a2a3dc30 [0,2,0,0,0,0|2,0,0]=4 3437 B13R0.391 CCCCCC(CCC)OCC(=O)N 25ff8b8a05a5e9ab6d31ac71d64d6811 [0,2,0,0,0,0|2,0,0]=4 3438 B13R0.391 CCCCCC(CCC)OCC(=O)O b47e70b9fe3eba7043ea9ef74d657c70 [0,2,0,0,0,0|1,0,0]=3 3439 B13R0.391 CCCCCN(CCC)CCC(=O)C 19ccd8af590a7f8a68382dc13893cb14 [0,2,0,0,0,0|2,0,0]=4 3440 B13R0.391 CCCCCN(CCC)CCC(=O)N a03f31d1358bfc3d531dd6bdb1e77c22 [0,2,0,0,0,0|2,0,0]=4 3441 B13R0.391 CCCCCN(CCO)CCC(=O)C c30be37b79b01a209b8ef37f9b2e8bfe [0,2,0,0,0,0|2,0,0]=4 3442 B13R0.391 CCCCCN(CCO)CCC(=O)N 65ce28af4178b833b05490047ec02957 [0,2,0,0,0,0|2,0,0]=4 3443 B13R0.391 CCCCNC(CCC(=O)O)CSC 86ce2b7ba826b2928f288bded4a092eb [0,2,0,0,0,0|0,0,0]=2 3444 B13R0.391 CCOCCN(CCO)CCC(=O)O 3a13ff9115f65b566b456ee22060c363 [0,2,0,0,0,0|1,0,0]=3 3445 B13R0.391 CCOCNC(CCC(=O)O)CSC 9b3360828db6481e472ff33542af79c7 [0,2,0,0,0,0|1,0,0]=3 3446 B13R0.391 CCSCCN(CCO)CCC(=O)O 9b97cbab814f14ca0a55be5f420121bf [0,2,0,0,0,0|1,0,0]=3 3447 B13R0.391 COCCCN(CCO)CCC(=O)O 4d324912b6e6b9fb12873b1b4287edae [0,2,0,0,0,0|1,0,0]=3 3448 B13R0.391 COCCNC(CCC(=O)O)CSC 9e74343abbf3da830e563ac88c0acda8 [0,2,0,0,0,0|1,0,0]=3 3449 B13R0.391 CSCC(CCC(=O)O)NCCC#N 7ee57a2bd304b2c12461d507d08fd77a [0,2,0,0,0,0|1,0,1]=4 3450 B13R0.391 CSCC(CCC(=O)O)NCCC=O 5ddefded65a78267941b792cde4da012 [0,2,0,0,0,0|1,0,1]=4 3451 B13R0.391 CSCC(CCC(=O)O)NCCCF e9057653a4a90087e88d8307aee60ec5 [0,2,0,0,0,0|1,0,0]=3 3452 B13R0.391 CSCC(CCC(=O)O)NCCCO 6a12f947c6c436be93381e7670bc7935 [0,2,0,0,0,0|1,0,0]=3 3453 B13R0.391 CSCCCN(CCO)CCC(=O)O 45f0b56ac7e0106dce6f01e702ae9c82 [0,2,0,0,0,0|1,0,0]=3 3454 B13R0.391 CSCCNC(CCC(=O)O)CSC 8dd888af0424abe2e627b9c847c88358 [0,2,0,0,0,0|1,0,0]=3 3455 B13R0.391 N#CCCCN(CCO)CCC(=O)O d013fc47c72e01ec91ea42395b3143ce [0,2,0,0,0,0|1,0,1]=4 3456 B13R0.391 O=C(O)CCN(CCO)CCCCF 81df5b042de9ffab848d21def4762b5e [0,2,0,0,0,0|1,0,0]=3 3457 B13R0.391 O=C(O)CCN(CCO)CCCCO 1898cfaec437095367d22ab2cb97061e [0,2,0,0,0,0|1,0,0]=3 3458 B13R0.391 O=CCCCN(CCO)CCC(=O)O c47af175c797dccbf6fa3a9f38719102 [0,2,0,0,0,0|1,0,1]=4 3459 B13R0.447 C#CCN(CCCC)C(C)CC(=O)O 0796963bfb359dbdd020f47a118d8381 [0,2,0,0,0,0|1,0,1]=4 3460 B13R0.447 C=CCN(CCCC)C(C)CC(=O)O 7083e21f5b58c4064342dfc6ee656800 [0,2,0,0,0,0|1,0,1]=4 3461 B13R0.447 CC(CC(=O)O)N(CCO)CCCO 71133a3b27ec2cb5f5a4c0733efe0eca [0,2,0,0,0,0|2,0,0]=4 3462 B13R0.447 CCCCN(CC#N)C(C)CC(=O)O 031d0e0e990d3172a4c1a2b5020f3cf6 [0,2,0,0,0,0|1,0,1]=4 3463 B13R0.447 CCCCN(CC=O)C(C)CC(=O)O 187f444faf86e44341b28c2d74c893f2 [0,2,0,0,0,0|1,0,1]=4 3464 B13R0.447 CCCCN(CCC)C(C)CC(=O)O 6e1ae07fe478ba9859830db927b629c7 [0,2,0,0,0,0|1,0,0]=3 3465 B13R0.447 CCCCN(CCF)C(C)CC(=O)O a502776af8e1daa0a7ed629d6eda69ac [0,2,0,0,0,0|1,0,0]=3 3466 B13R0.447 CCCCN(CCO)C(C)CC(=O)O 883402fcfd8f2831d0dfeeaad321100f [0,2,0,0,0,0|1,0,0]=3 3467 B13R0.447 CCCCN(CCS)C(C)CC(=O)O 2e4eb6c233a9fbafd964106286e5a6a0 [0,2,0,0,0,0|1,0,0]=3 3468 B13R0.447 CCCCN(COC)C(C)CC(=O)O 55eb37b1872c3251c8133ca7d8b35c3a [0,2,0,0,0,0|1,0,0]=3 3469 B13R0.447 CCCCN(CSC)C(C)CC(=O)O ad1015322b143b17b6874eee0090e457 [0,2,0,0,0,0|1,0,0]=3 3470 B13R0.447 CCCN(CCCF)C(C)CC(=O)O 3c8aa7d4453e6fa42ce5ea819d9255b4 [0,2,0,0,0,0|2,0,0]=4 3471 B13R0.447 CCCN(CCCO)C(C)CC(=O)O 9f9ea6c08dca8646b97b4fde49bed9b5 [0,2,0,0,0,0|2,0,0]=4 3472 B13R0.447 CCCN(CCCS)C(C)CC(=O)O dd42c9ee36e487081dbebf8e3d1db4de [0,2,0,0,0,0|2,0,0]=4 3473 B13R0.447 CCCN(CCOC)C(C)CC(=O)O 1da369d48d8fd4c85cb23b550a959a84 [0,2,0,0,0,0|2,0,0]=4 3474 B13R0.447 CCCN(CCSC)C(C)CC(=O)O 74a8f4b1df4f71fd5d0252ffb19a184a [0,2,0,0,0,0|2,0,0]=4 3475 B13R0.447 CCCN(COCC)C(C)CC(=O)O 2222dd8e94ede9f9c2638ed490a5d22d [0,2,0,0,0,0|2,0,0]=4 3476 B13R0.450 C=C(CN(CCC)CCCC)C(=O)O 7364abb9fa43a302073f09dd3449b01f [0,2,0,0,0,0|1,0,1]=4 3477 B13R0.450 C=C(CN(CCO)CCCC)C(=O)O 4bf9df26aab9c3e9a76b5447e190b4ef [0,2,0,0,0,0|1,0,1]=4 3478 B13R0.450 C=C(CN(CCS)CCCC)C(=O)O 220ebfe9cc526bdc5e19ff920fed3161 [0,2,0,0,0,0|1,0,1]=4 3479 B13R0.450 C=CCC(CCCC)OC(C)C(=O)O 3ceb16146892da8fa979ee5d114b5f4b [0,2,0,0,0,0|1,0,1]=4 3480 B13R0.450 C=CCC(CCCC)OC(F)C(=O)O dc5f1c25288fb814d3f12e65b58bf918 [0,2,0,0,0,0|1,0,1]=4 3481 B13R0.450 C=CCC(CCCC)O[C@@H](C)C(=O)O 77687b72ca49f144ae609d358c5d1565 [0,2,0,0,0,0|1,0,1]=4 3482 B13R0.450 C=CCC(CCCC)O[C@@H](F)C(=O)O 99550ae5f88fb5945698107a4e7166fd [0,2,0,0,0,0|1,0,1]=4 3483 B13R0.450 C=CCC(CCCC)O[C@H](C)C(=O)O 91cb6b7aa2cf9e4941c1b54ce3f628b5 [0,2,0,0,0,0|1,0,1]=4 3484 B13R0.450 CC(CN(CCO)CCCO)C(=O)O 42f9f8c75a55103a542db52a166951ae [0,2,0,0,0,0|2,0,0]=4 3485 B13R0.450 CCCCC(CCC)OC(C)C(=O)C f71b168483e6707e45a88e7e75496bc3 [0,2,0,0,0,0|2,0,0]=4 3486 B13R0.450 CCCCC(CCC)OC(C)C(=O)N 27f1789d51635f73b863e56ee7234b03 [0,2,0,0,0,0|2,0,0]=4 3487 B13R0.450 CCCCC(CCC)OC(F)C(=O)N bc08afef56581e4c5ead54155e8e4f2a [0,2,0,0,0,0|2,0,0]=4 3488 B13R0.450 CCCCC(CCC)OC(F)C(=O)O f97126ee7641fb044fd3d90f8ddb2f1c [0,2,0,0,0,0|1,0,0]=3 3489 B13R0.450 CCCCC(CCC)O[C@@H](C)C(=O)N 898061c19656f59656429d7c6cdb169e [0,2,0,0,0,0|2,0,0]=4 3490 B13R0.450 CCCCC(CCC)O[C@@H](F)C(=O)O 4eb6902a5834439e2da860235e040557 [0,2,0,0,0,0|1,0,0]=3 3491 B13R0.450 CCCCC(CCC)O[C@H](C)C(=O)N 1345b0ad882dcb85295f26af8243ba4d [0,2,0,0,0,0|2,0,0]=4 3492 B13R0.450 CCCCN(CC#N)CC(C)C(=O)O d5326fa86106f6369e202825c001a85d [0,2,0,0,0,0|1,0,1]=4 3493 B13R0.450 CCCCN(CC#N)CC(O)C(=O)O 7c556d1fc5428b85482dda0f33578384 [0,2,0,0,0,0|1,0,1]=4 3494 B13R0.450 CCCCN(CC#N)C[C@H](O)C(=O)O 0e88a42a5bb432c382355e127b33ba08 [0,2,0,0,0,0|1,0,1]=4 3495 B13R0.450 CCCCN(CCC)CC(=O)C(=O)O a503172a261185c336cb5a1f42cb1bab [0,2,0,0,0,0|1,0,1]=4 3496 B13R0.450 CCCCN(CCC)CC(C)C(=O)O e79c2c943a7343fc744107256c502a97 [0,2,0,0,0,0|1,0,0]=3 3497 B13R0.450 CCCCN(CCC)CC(O)C(=O)O 4595f2b99ecd1e298e7b11f2e591c48e [0,2,0,0,0,0|1,0,0]=3 3498 B13R0.450 CCCCN(CCC)C[C@H](O)C(=O)O caf90ecf6f52c0ef4b0bf48bc17b601f [0,2,0,0,0,0|1,0,0]=3 3499 B13R0.450 CCCCN(CCO)CC(C)C(=O)O 1414e4f9f1a82b3861fce5b8cbd2c7be [0,2,0,0,0,0|1,0,0]=3 3500 B13R0.450 CCCCN(CCO)CC(O)C(=O)O 4054fb223e4d92212082837306a710b3 [0,2,0,0,0,0|1,0,0]=3 3501 B13R0.450 CCCCN(CCO)C[C@H](O)C(=O)O 75ff397f2868c3002b85f4eb7ff02be0 [0,2,0,0,0,0|1,0,0]=3 3502 B13R0.450 CCCCN(CCS)CC(=O)C(=O)O dd8546430bdfecf1b0aee4455486fe4e [0,2,0,0,0,0|1,0,1]=4 3503 B13R0.450 CCCCN(CCS)CC(C)C(=O)O 94cc4f6d6d1490066ef6736e3eea83d7 [0,2,0,0,0,0|1,0,0]=3 3504 B13R0.450 CCCCN(CCS)CC(O)C(=O)O 0ae8830efc08ac2311863b2b3adfc8ba [0,2,0,0,0,0|1,0,0]=3 3505 B13R0.450 CCCCN(CCS)C[C@H](O)C(=O)O 7b2cd0f37e6509daf8d019d0c22b011f [0,2,0,0,0,0|1,0,0]=3 3506 B13R0.450 CCCN(CCCO)CC(C)C(=O)O bb1a5ad907192255e2b0cfd83b262e09 [0,2,0,0,0,0|2,0,0]=4 3507 B13R0.450 CCCN(CCCO)CC(O)C(=O)O aadde63d1e5b1b3583ae8623e68e38d1 [0,2,0,0,0,0|2,0,0]=4 3508 B13R0.450 CCCN(CCCO)C[C@H](O)C(=O)O d5dfe022d2e225ee20125155c4c4ac90 [0,2,0,0,0,0|2,0,0]=4 3509 B13R0.450 CCCN(CCOC)CC(C)C(=O)O 44a3f37b3a78cdc572d4ccee153e6944 [0,2,0,0,0,0|2,0,0]=4 3510 B13R0.523 C=C(COC(CCC)CCCC)OC ab087a9fec89a3264ba07ea2482cb04a [0,2,0,0,0,0|2,0,0]=4 3511 B13R0.523 C=CCC(CCCC)OCC(=O)OC f91a005e97d65167630fd4622ffb788f [0,2,0,0,0,0|1,0,1]=4 3512 B13R0.523 CCCCC(CCC)OCC(=O)CC 984176b221a12576484a9895c30e7cc5 [0,2,0,0,0,0|2,0,0]=4 3513 B13R0.523 CCCCC(CCC)OCC(=O)NC 1cb9cc0817f8b7eda62c467299b3eea9 [0,2,0,0,0,0|2,0,0]=4 3514 B13R0.523 CCCCC(CCC)OCC(=O)OC 5f0aa0de86d285b3d6a70d46d1b32226 [0,2,0,0,0,0|1,0,0]=3 3515 B13R0.523 CCCCN(CC#N)CCC(=O)OC 15014a7473f55a267ce0ac4ceee84355 [0,2,0,0,0,0|1,0,1]=4 3516 B13R0.523 CCCCN(CCC)CCC(=O)NC 1bd9c3cdead0a00e8636d2c6f0b26612 [0,2,0,0,0,0|2,0,0]=4 3517 B13R0.523 CCCCN(CCC)CCC(=O)OC b147d729b86c253d2bcb07ee54d2f1c5 [0,2,0,0,0,0|1,0,0]=3 3518 B13R0.523 CCCCN(CCC)COC(=O)OC ced2c9711476c0a61840aae0207269f0 [0,2,0,0,0,0|2,0,0]=4 3519 B13R0.523 CCCCN(CCO)CCC(=O)NC 7bc52d718a86fac6cabb0fbd6025bf64 [0,2,0,0,0,0|2,0,0]=4 3520 B13R0.523 CCCCN(CCO)CCC(=O)OC b54f834e40b9e5ea7a50b60e656ec172 [0,2,0,0,0,0|1,0,0]=3 3521 B13R0.523 CCCCN(CCO)COC(=O)OC 4306588ccde5e18a89d299b8bf50f854 [0,2,0,0,0,0|2,0,0]=4 3522 B13R0.523 CCCCN(CCS)CCC(=O)NC e832001e5585ee6bd19179022a990ff7 [0,2,0,0,0,0|2,0,0]=4 3523 B13R0.523 CCCCN(CCS)CCC(=O)OC a90f996b5e584cee2b084043925401d3 [0,2,0,0,0,0|1,0,0]=3 3524 B13R0.523 CCCCN(CCS)COC(=O)OC 9125c8eb7b196dcc70a83e7724ef2535 [0,2,0,0,0,0|2,0,0]=4 3525 B13R0.523 CCCN(CCC(=O)OC)COCC 03558a0d2fbaf7a99438d7b8adf0dcc4 [0,2,0,0,0,0|2,0,0]=4 3526 B13R0.523 CCCN(CCCF)CCC(=O)OC 2878ee1d2864a25b18a89f84940f8178 [0,2,0,0,0,0|2,0,0]=4 3527 B13R0.523 CCCN(CCCO)CCC(=O)OC 3d6df404a43e806f4305e34773f1794a [0,2,0,0,0,0|2,0,0]=4 3528 B13R0.523 CCCN(CCCS)CCC(=O)OC 4f61d3b644dbef463a6b1b1bec2221e1 [0,2,0,0,0,0|2,0,0]=4 3529 B13R0.523 CCCN(CCOC)CCC(=O)OC 89fb17a7cfc0f18aa176f7c7b7129c9c [0,2,0,0,0,0|2,0,0]=4 3530 B13R0.523 CCCN(CCSC)CCC(=O)OC c73aefae47abb82dce878c0c2ba65844 [0,2,0,0,0,0|2,0,0]=4 3531 B13R0.523 CCCN[C@H](CC#N)CCC(=O)OC 5048892aa88e7de3e10a706a305c550a [0,2,0,0,0,0|1,0,1]=4 3532 B13R0.523 COC(=O)CCN(CCO)CCCO 912c6c1295d50ea1a184d490c8d1ddb7 [0,2,0,0,0,0|2,0,0]=4 3533 B13R0.524 CCCCC(CCC)OCS(=O)(=O)O 5a574ab3867b47c558a94767face021c [0,2,0,0,0,0|2,0,0]=4 3534 B13R0.524 CCCCN(CCC)CCS(=O)(=O)O 22ee930e4fea03645118ab31e11478d4 [0,2,0,0,0,0|2,0,0]=4 3535 B13R0.524 CCCCN(CCO)CCS(=O)(=O)O 3536aafee6b98a1926beecf737c66231 [0,2,0,0,0,0|2,0,0]=4 3536 B13R0.524 CCCCN(CCS)CCS(=O)(=O)O 140288a7785fb25c163bdaa9333363a0 [0,2,0,0,0,0|2,0,0]=4 3537 B13R0.637 C=C(CC)CN(CCO)CCC(=O)O 2966557d0db14100741e2eca5f475df8 [0,2,0,0,0,0|1,0,1]=4 3538 B13R0.637 CC(CO)CN(CCO)CCC(=O)O 07c9cb901bbef31eff545f9ea60e23ef [0,2,0,0,0,0|2,0,0]=4 3539 B13R0.637 CCC(=O)CN(CCO)CCC(=O)O 4d289a9bf311754c953f2d71d141891a [0,2,0,0,0,0|1,0,1]=4 3540 B13R0.637 CCC(C)CN(CCO)CCC(=O)O a050f951d338bd12968dfea8b102a022 [0,2,0,0,0,0|1,0,0]=3 3541 B13R0.637 CCC(O)CN(CCO)CCC(=O)O 40a69f81f0916af17aea96935ee80867 [0,2,0,0,0,0|1,0,0]=3 3542 B13R0.637 CCCN(CCC(=O)O)CC(O)CO cf960ac66005b32d49e81c4ddd2d403e [0,2,0,0,0,0|2,0,0]=4 3543 B13R0.637 CC[C@@H](C)CN(CCO)CCC(=O)O e97adb441764691977d2d169a02de7e1 [0,2,0,0,0,0|1,0,0]=3 3544 B13R0.637 CC[C@H](C)CN(CCO)CCC(=O)O 5601cba418dc60e7576e130722cb7f42 [0,2,0,0,0,0|1,0,0]=3 3545 B13R0.637 COC(C)CN(CCO)CCC(=O)O d52d4a1b29a898ae9ff4b526df179c0d [0,2,0,0,0,0|2,0,0]=4 3546 B13R0.637 CO[C@@H](C)CN(CCO)CCC(=O)O 9ee75431fbdbf2ec12d293b91a3b7559 [0,2,0,0,0,0|2,0,0]=4 3547 B13R0.637 CO[C@H](C)CN(CCO)CCC(=O)O 1cb94288ffcd9af1651240c51c545191 [0,2,0,0,0,0|2,0,0]=4 3548 B13R0.637 C[C@@H](CO)CN(CCO)CCC(=O)O bb63733d9e6d2536ef2eeccba32b500a [0,2,0,0,0,0|2,0,0]=4 3549 B13R0.637 C[C@H](CO)CN(CCO)CCC(=O)O 03b46d9a2849519818a8e4b1af5d8e39 [0,2,0,0,0,0|2,0,0]=4 3550 B13R0.637 O=C(O)CCN(CCO)CC(O)CF 0f2ac5636e888080ae3f6d0a5208b416 [0,2,0,0,0,0|2,0,0]=4 3551 B13R0.637 O=C(O)CCN(CCO)CC(O)CO 72839d83cc3650e379aab70b511c445a [0,2,0,0,0,0|2,0,0]=4 3552 B13R0.637 O=C(O)CCN(CCO)C[C@@H](O)CO bd169b74f16bcf2d158424e166d75b99 [0,2,0,0,0,0|2,0,0]=4 3553 B13R0.637 O=C(O)CCN(CCO)C[C@H](O)CO 236ce0d8fd157513b746c9e06cc400d0 [0,2,0,0,0,0|2,0,0]=4 3554 B13R0.638 C=C(C)CCN(CCO)CCC(=O)O 5e595e85b1d5f49b2fd697a13f64c10a [0,2,0,0,0,0|1,0,1]=4 3555 B13R0.638 C=C(C)CNC(CCC(=O)O)CSC 64c46497c3eee07e08c0a8715af8d50e [0,2,0,0,0,0|1,0,1]=4 3556 B13R0.638 CC(=O)CCN(CCO)CCC(=O)O 53fe9ae434a508e6cd6226b1737bba34 [0,2,0,0,0,0|1,0,1]=4 3557 B13R0.638 CC(C)CCN(CCO)CCC(=O)O 01feafc614abba6cf55952237e79621d [0,2,0,0,0,0|1,0,0]=3 3558 B13R0.638 CC(C)OCN(CCO)CCC(=O)O d46f414070c142eef4155370b387ea5b [0,2,0,0,0,0|2,0,0]=4 3559 B13R0.638 CC(O)CCN(CCO)CCC(=O)O ec7a270783a1c1a4c064521913018262 [0,2,0,0,0,0|1,0,0]=3 3560 B13R0.638 CCCN(CCC(=O)O)CCN(C)C 1e07887ce026a8eaaae5e2d307b8d739 [0,2,0,0,0,0|2,0,0]=4 3561 B13R0.638 CN(C)CCN(CCO)CCC(=O)O 3077ad877ee23263aa8d3529ad0202c8 [0,2,0,0,0,0|2,0,0]=4 3562 B13R0.638 CS(=O)CCN(CCO)CCC(=O)O 0674081d89599a8a1ac96098935c15a2 [0,2,0,0,0,0|2,0,0]=4 3563 B13R0.638 CSCC(CCC(=O)O)NCC(C)C fb3b456328b124c3599fc54ccbdfe09b [0,2,0,0,0,0|1,0,0]=3 3564 B13R0.638 CSCC(CCC(=O)O)NCC(C)O 3e41d766cb07bc2f294dbd952ecede5f [0,2,0,0,0,0|1,0,0]=3 3565 B13R0.638 CSCC(CCC(=O)O)NCC(F)F 75e97f938a87286c7c9ed63072d6a81a [0,2,0,0,0,0|2,0,0]=4 3566 B13R0.638 CSCC(CCC(=O)O)NC[C@H](C)O 260b8aea42ee081c5124faf09ae773f1 [0,2,0,0,0,0|1,0,0]=3 3567 B13R0.1177 CC(CCO)N(CCO)CCC(=O)O 35b1ebf497f9f0ccaf9d97c15392b7dd [0,2,0,0,0,0|2,0,0]=4 3568 B13R0.1177 CCCC(=O)C(CCC)OCC(=O)O 728aafb7fa2ab7610f8e2f7fbf180f6f [0,2,0,0,0,0|1,0,1]=4 3569 B13R0.1177 CCCC(C)C(CCC)OCC(=O)N a52e8697b86f27ce4ef858b966bde796 [0,2,0,0,0,0|2,0,0]=4 3570 B13R0.1177 CCCC(C)C(CCC)OCC(=O)O eea1be20a38df5959b0b124f6f1109e6 [0,2,0,0,0,0|1,0,0]=3 3571 B13R0.1177 CCCC(C)N(CCO)CCC(=O)O 6074617cddf5fdc739d7cde6821471be [0,2,0,0,0,0|1,0,0]=3 3572 B13R0.1177 CCN[C@@H](CCC(=O)O)C(=O)OCC 27d077aa41d36eb9948d898471b77586 [0,2,0,0,0,0|1,0,1]=4 3573 B13R0.1177 COCC(C)N(CCO)CCC(=O)O 6b411fb7943c00ea0488216004454317 [0,2,0,0,0,0|2,0,0]=4 3574 B13R0.1318 C=CCCN(CCCO)CCC(=O)O 77e90409766d1fbdebae21cdced42c1e [0,2,0,0,0,0|2,0,0]=4 3575 B13R0.1318 C=CCCN(CCOC)CCC(=O)O b8b909b4f5f88003ade50d1eaa397805 [0,2,0,0,0,0|2,0,0]=4 3576 B13R0.1318 CCCCC(CCCC)NCC(=O)N 7cceb114445de84b748423806fa11d39 [0,2,0,0,0,0|2,0,0]=4 3577 B13R0.1318 CCCCC(CCCC)NCC(=O)O a2a33fbd009acdabf931ba9cd760e231 [0,2,0,0,0,0|1,0,0]=3 3578 B13R0.1318 CCCCC(CCCC)OCC(=O)N 379e3f22f2df94f7decb684c2697186e [0,2,0,0,0,0|2,0,0]=4 3579 B13R0.1318 CCCCC(CCCC)OCC(=O)O fcb7485fa6771aa338d7265ef6427ffc [0,2,0,0,0,0|1,0,0]=3 3580 B13R0.1318 CCCCN(CCC#N)CCC(=O)C 08ac66f8cc25519cfb5c3e627475ae85 [0,2,0,0,0,0|2,0,0]=4 3581 B13R0.1318 CCCCN(CCC#N)CCC(=O)N 66e0be9ae1dec694630fe0888be953bc [0,2,0,0,0,0|2,0,0]=4 3582 B13R0.1318 CCCCN(CCC#N)CCC(=O)O 1860f4945bcf2feec87b31cd3d5f756f [0,2,0,0,0,0|1,0,0]=3 3583 B13R0.1318 CCCCN(CCCC)CCC(=O)C b2494629f2273797d08dfd194fb3735e [0,2,0,0,0,0|2,0,0]=4 3584 B13R0.1318 CCCCN(CCCC)CCC(=O)N 120a04f93bae231f9f2b0bfd520467a5 [0,2,0,0,0,0|2,0,0]=4 3585 B13R0.1318 CCCCN(CCCC)CCC(=O)O 8097f6fe7ffc720e5ac60922d6beb741 [0,2,0,0,0,0|1,0,0]=3 3586 B13R0.1318 CCOCC(COCC)OCC(=O)O 711544863a0878d03b5a360325f4b74c [0,2,0,0,0,0|2,0,0]=4 3587 B13R0.1318 COCCN(CCCO)CCC(=O)O eccf8ca60a5d096ad2b123bbdca44cd9 [0,2,0,0,0,0|2,0,0]=4 3588 B13R0.1318 O=C(O)CCN(CCCO)CCCO c23fa1413d1c0cdc20e9d554d6df5ea3 [0,2,0,0,0,0|2,0,0]=4 3589 B13R0.13 CCCCN(CCS(=O)(=O)O)C(C)C fae069474624a080920fe86d4b1df66e [0,2,0,0,0,0|2,0,0]=4 3590 B13R0.53 CC(C)CCN(CCC(=O)N)C(C)C 2ad78a1794c14243bd6fcc3ab4adf97c [0,2,0,0,0,0|2,0,0]=4 3591 B13R0.53 CC(C)CN[C@@H](CCC(=O)O)C(F)F f1364abb1cbdc08281483c2bd1892db0 [0,2,0,0,0,0|2,0,0]=4 3592 B13R0.53 CC(O)CCN(CCC(=O)N)C(C)C b660ed1939a642981071b59d1a9fcb2e [0,2,0,0,0,0|2,0,0]=4 3593 B13R0.53 CC(O)CN[C@@H](CCC(=O)O)C(F)F b71f4032f4627bf3fa9f6ff0e7649798 [0,2,0,0,0,0|2,0,0]=4 3594 B13R0.53 C[C@@H](O)CN[C@@H](CCC(=O)O)C(F)F 1b80cc37c9d837a2ea3420e4e4b620af [0,2,0,0,0,0|2,0,0]=4 3595 B13R0.53 C[C@H](O)CN[C@@H](CCC(=O)O)C(F)F 9d12a1a67ef70e497929b0b42005e52e [0,2,0,0,0,0|2,0,0]=4 3596 B13R0.160 C=C(CN(CCCC)C(C)C)C(=O)O f046e96fafd56cf3a0c431bb9ce5ff38 [0,2,0,0,0,0|1,0,1]=4 3597 B13R0.160 CC(C)N(CCCO)CC(O)C(=O)O a06f7243ab26cb0c179cba313b03fde7 [0,2,0,0,0,0|2,0,0]=4 3598 B13R0.160 CC(C)N(CCCO)C[C@H](O)C(=O)O 5d346ebc0eed59945c21f1bb316dcbc8 [0,2,0,0,0,0|2,0,0]=4 3599 B13R0.160 CC(CN(CCCO)C(C)C)C(=O)O 49c1af2de5f5b4c399775a0243e338b3 [0,2,0,0,0,0|2,0,0]=4 3600 B13R0.160 CCCCN(CC(=O)C(=O)O)C(C)C 6efe3b580d55e0af7b7644bb9570382b [0,2,0,0,0,0|1,0,1]=4 3601 B13R0.160 CCCCN(CC(C)C(=O)O)C(C)C 13b1e3fed08475596b510e0452e1721e [0,2,0,0,0,0|1,0,0]=3 3602 B13R0.160 CCCCN(CC(O)C(=O)O)C(C)C 8565c05020321a6412a91ade4cb78881 [0,2,0,0,0,0|1,0,0]=3 3603 B13R0.160 CCCCN(C[C@H](O)C(=O)O)C(C)C ef21a9d827cf64cb53903615149ba210 [0,2,0,0,0,0|1,0,0]=3 3604 B13R0.160 COCCN(CC(C)C(=O)O)C(C)C 3c50832eb93bc33b8a37dcbd7d49a6b1 [0,2,0,0,0,0|2,0,0]=4 3605 B13R0.256 CC(C)N(CCC(=O)O)CC(O)CO 24833e8c56e24b35b252ceccf355281a [0,2,0,0,0,0|2,0,0]=4 3606 B13R0.256 CC(C)N(CCC(=O)O)C[C@@H](O)CO 307a19f42db3d2741cf7bee5c88e33c4 [0,2,0,0,0,0|2,0,0]=4 3607 B13R0.256 CC(C)N(CCC(=O)O)C[C@H](O)CO ae30ca014a722ea53fb258b5eca6dcb8 [0,2,0,0,0,0|2,0,0]=4 3608 B13R0.256 CCC(C)CN(CCC(=O)N)C(C)C 571136356f70cc1b738bbbecd52223ad [0,2,0,0,0,0|2,0,0]=4 3609 B13R0.256 CCC(C)N[C@@H](CCC(=O)O)C(F)F ed17dbdabcbce2af32b33d57b588c6e7 [0,2,0,0,0,0|2,0,0]=4 3610 B13R0.256 CCC(O)CN(CCC(=O)N)C(C)C b0f55594158051b03ed49abfe4a9dc17 [0,2,0,0,0,0|2,0,0]=4 3611 B13R0.256 CC[C@@H](C)CN(CCC(=O)N)C(C)C 788d5e7666aafba5aec25f854a9dcc01 [0,2,0,0,0,0|2,0,0]=4 3612 B13R0.256 CC[C@H](C)CN(CCC(=O)N)C(C)C e76b0641bce4ae25f82075b4491dc8e5 [0,2,0,0,0,0|2,0,0]=4 3613 B13R0.346 CC(=O)CCN(CCCCO)C(C)C f389a715e025d9bf6138c2b668246e7d [0,2,0,0,0,0|2,0,0]=4 3614 B13R0.346 CC(C)N(CCCCF)CCC(=O)N 143c427c4bd965e88ff59ccbabd6bfdd [0,2,0,0,0,0|2,0,0]=4 3615 B13R0.346 CC(C)N(CCCCO)CCC(=O)N 30b640c0e0b9c6c41637180614285548 [0,2,0,0,0,0|2,0,0]=4 3616 B13R0.346 CC(C)N(CCCCO)CCC(=O)O aa97e6ec7eb8f7bbdb7ff6006968a51c [0,2,0,0,0,0|1,0,0]=3 3617 B13R0.346 CCCCCC(OCC(=O)N)C(C)C d627c4585a524be774d5925d9d29891e [0,2,0,0,0,0|2,0,0]=4 3618 B13R0.346 CCCCCC(OCC(=O)O)C(C)C 2271a8dbc223c6d8db85ed1eea44392a [0,2,0,0,0,0|1,0,0]=3 3619 B13R0.346 CCCCCN(CCC(=O)C)C(C)C cb9aeabbdc71b1d6f153785bb5900a95 [0,2,0,0,0,0|2,0,0]=4 3620 B13R0.346 CCCCCN(CCC(=O)N)C(C)C de119e94dd8c1f60a81ac51b5bc55a22 [0,2,0,0,0,0|2,0,0]=4 3621 B13R0.346 CCCCNC(CCC(=O)O)C(=O)N 50420ba6395bf32f1ea3d57560cdef32 [0,2,0,0,0,0|1,0,1]=4 3622 B13R0.346 CCCCNC(CCC(=O)O)C(=O)O 32f374ebb2dad9070d6cf56c58866180 [0,2,0,0,0,0|1,0,1]=4 3623 B13R0.346 CCCCN[C@@H](CCC(=O)O)C(=O)N 672273da3621d083f57c17ea514d2939 [0,2,0,0,0,0|1,0,1]=4 3624 B13R0.346 CCCCN[C@@H](CCC(=O)O)C(=O)O eaeedf03e6e2206d96bbd70c177af48f [0,2,0,0,0,0|1,0,1]=4 3625 B13R0.346 CCCCN[C@@H](CCC(=O)O)C(F)F 23b10a34e526438a6ee2192d64bef3be [0,2,0,0,0,0|1,0,0]=3 3626 B13R0.346 CCCCN[C@H](CCC(=O)O)C(=O)N 996e2ebf4a2a9509546af3b50ab1f258 [0,2,0,0,0,0|1,0,1]=4 3627 B13R0.346 CCCCN[C@H](CCC(=O)O)C(=O)O 5a4b2f2433bad000fac629b7e6afa1fd [0,2,0,0,0,0|1,0,1]=4 3628 B13R0.346 CCCCO[C@@H](CCC(=O)O)C(=O)O 49d35c0d8ad7362d873320e52b57d742 [0,2,0,0,0,0|1,0,1]=4 3629 B13R0.346 CCCCO[C@H](CCC(=O)O)C(=O)O 2df40bfa0c18631947f0094016093e0f [0,2,0,0,0,0|1,0,1]=4 3630 B13R0.346 CCOCCN(CCC(=O)N)C(C)C d95b9de135e32069b83064844e37cf21 [0,2,0,0,0,0|2,0,0]=4 3631 B13R0.346 CCOCN[C@@H](CCC(=O)O)C(F)F 20409a337b45d007198796eb0f1a47fe [0,2,0,0,0,0|2,0,0]=4 3632 B13R0.346 CCSCCN(CCC(=O)N)C(C)C 8da3bb567378fcc067da7c0bc235e964 [0,2,0,0,0,0|2,0,0]=4 3633 B13R0.346 COCCCN(CCC(=O)C)C(C)C 8aa44676bbed1bfa80fe297d9d279e97 [0,2,0,0,0,0|2,0,0]=4 3634 B13R0.346 COCCCN(CCC(=O)N)C(C)C 91e34600731c707f262e82380929a78e [0,2,0,0,0,0|2,0,0]=4 3635 B13R0.346 COCCCN(CCC(=O)O)C(C)C 763ddd61a112b1cc4d4b8b3401b99663 [0,2,0,0,0,0|1,0,0]=3 3636 B13R0.346 COCCN[C@@H](CCC(=O)O)C(F)F dc9564543ee49762444174be630d156f [0,2,0,0,0,0|2,0,0]=4 3637 B13R0.346 CSCCCN(CCC(=O)N)C(C)C 64def6cdb935d7ad29d9b79a8288be76 [0,2,0,0,0,0|2,0,0]=4 3638 B13R0.346 CSCCN[C@@H](CCC(=O)O)C(F)F e3d98859e68ce4ce40f16b6b2fe6a5e3 [0,2,0,0,0,0|2,0,0]=4 3639 B13R0.346 O=C(O)CC[C@H](NCCCF)C(F)F cef832c32dba3f3d7a04913f3f7d1f4a [0,2,0,0,0,0|2,0,0]=4 3640 B13R0.346 O=C(O)CC[C@H](NCCCO)C(F)F a559cea6266cdb98e721f07774f9187d [0,2,0,0,0,0|2,0,0]=4 3641 B13R0.346 O=C(O)CC[C@H](NCCCS)C(F)F cbaadb0d0e03f65fe09edacde0d89c58 [0,2,0,0,0,0|2,0,0]=4 3642 B13R0.375 CCCC(C)N(CCC(=O)N)C(C)C e22d07f010a14044b0197bd14ac0b41f [0,2,0,0,0,0|2,0,0]=4 3643 B13R0.1299 CC(C)(C)N(CCCCl)CCC(=O)O 1cd22a6561b48ed2369e6586023cfd7e [0,2,0,0,0,0|2,0,0]=4 3644 B13R0.1299 CC(C)(C)N(CCCO)CCC(=O)O f349d350f94a011b371de8763ea647e9 [0,2,0,0,0,0|2,0,0]=4 3645 B13R0.1299 CCCCC(NCC(=O)O)C(F)(F)F 586548d259278f3770fdda5106b21f37 [0,2,0,0,0,0|2,0,0]=4 3646 B13R0.1299 CCCCC(OCC(=O)O)C(F)(F)F 81932f2f2951a4c6e3454eebb45cc8f7 [0,2,0,0,0,0|2,0,0]=4 3647 B13R0.1299 CCCCN(CCC(=O)N)C(C)(C)C 8e74c76199c638fe938d4c33cc2f5234 [0,2,0,0,0,0|2,0,0]=4 3648 B13R0.1299 CCCC[C@@H](NCC(=O)O)C(F)(F)F 82da6dce22c9f8c99f9d7ec8e34a00bf [0,2,0,0,0,0|2,0,0]=4 3649 B13R0.1299 CCCC[C@H](NCC(=O)O)C(F)(F)F c2de8f79a6d382941ef9d15af91cd8ca [0,2,0,0,0,0|2,0,0]=4 3650 B13R0.1299 COCCN(CCC(=O)O)C(C)(C)C 51e82ff3e563a975a6f273c7fd2a693e [0,2,0,0,0,0|2,0,0]=4 3651 B13R0.1299 CSCC[C@@H](NCC(=O)O)C(C)(C)O 85b5a909b1c79e74f6fa75f08e89b0a1 [0,2,0,0,0,0|2,0,0]=4 3652 B13R0.1300 CCCCN(CCC(=O)NC)C(C)C 3b33b5b94e71a438d612e84fa42f6b7e [0,2,0,0,0,0|2,0,0]=4 3653 B13R0.1300 CCCCN(CCC(=O)OC)C(C)C e762f11e28dc1a02e2369de31c2d8314 [0,2,0,0,0,0|1,0,0]=3 3654 B13R0.1300 CCCCN(COC(=O)OC)C(C)C 0afbe670e075d194a9f5359e21cdccc3 [0,2,0,0,0,0|2,0,0]=4 3655 B13R0.1300 CCOCN(CCC(=O)OC)C(C)C 5137ac857672fa1f2ab202bd6417a7ab [0,2,0,0,0,0|2,0,0]=4 3656 B13R0.1300 COC(=O)CCN(CCCF)C(C)C 9df778e6d6b7d8976c7d9b278af651fa [0,2,0,0,0,0|2,0,0]=4 3657 B13R0.1300 COC(=O)CCN(CCCO)C(C)C 68e399859f65a7f4b623237411cc5417 [0,2,0,0,0,0|2,0,0]=4 3658 B13R0.1300 COC(=O)CCN(CCCS)C(C)C 4745e6aff79ecd3d4b11157557904cbd [0,2,0,0,0,0|2,0,0]=4 3659 B13R0.1300 COC(=O)CCN(CCSC)C(C)C d2f6f32cd2d2b8aa92dfc43d2b3ec409 [0,2,0,0,0,0|2,0,0]=4 3660 B13R0.1300 COCCN(CCC(=O)OC)C(C)C 2913cddcea12322d200f70bc8be5577e [0,2,0,0,0,0|2,0,0]=4 3661 B13R0.1310 CC(C)N(CCCF)C(C)CC(=O)O 2e0ef394a7bcc935d60690061f3f1052 [0,2,0,0,0,0|2,0,0]=4 3662 B13R0.1310 CC(C)N(CCCO)C(C)CC(=O)O 1d4a54bfb0ab7e5354a48d44b7e3dc22 [0,2,0,0,0,0|2,0,0]=4 3663 B13R0.1310 CC(C)N(CCCS)C(C)CC(=O)O af9d81f590084ffed1e3fc473eb4944e [0,2,0,0,0,0|2,0,0]=4 3664 B13R0.1310 CCCCN(C(C)C)C(C)CC(=O)O b85b744dd98d481ddf791b6d4c725c4f [0,2,0,0,0,0|1,0,0]=3 3665 B13R0.1310 CCOCN(C(C)C)C(C)CC(=O)O ca94a4ae72c6b372f8f7cbd9ff98f033 [0,2,0,0,0,0|2,0,0]=4 3666 B13R0.1310 COCCN(C(C)C)C(C)CC(=O)O b7951214f6ce2a5e50408414cfe33d41 [0,2,0,0,0,0|2,0,0]=4 3667 B13R0.1310 CSCCN(C(C)C)C(C)CC(=O)O 43d05ff0e9d699aaebda76eff39eff32 [0,2,0,0,0,0|2,0,0]=4 3668 B13R0.84 CCCC(C)C(CC)OC(C)C(=O)C 10cb04f782bd02b1984c8b32b0f9eb4d [0,2,0,0,0,0|2,0,0]=4 3669 B13R0.84 CCCC(C)C(CC)OC(C)C(=O)N 939a55161a636308bc4476e38d365c26 [0,2,0,0,0,0|2,0,0]=4 3670 B13R0.84 CCCC(C)C(CC)OC(F)C(=O)N 46b8aefbd9aed55a572bb12fd8fa4ca5 [0,2,0,0,0,0|2,0,0]=4 3671 B13R0.84 CCCC(C)C(CC)O[C@@H](C)C(=O)N 714bf51c5c209aff5f831f9197097cc5 [0,2,0,0,0,0|2,0,0]=4 3672 B13R0.84 CCCC(C)C(CC)O[C@H](C)C(=O)N 924b70b8a6d5d74e732df62b03985be9 [0,2,0,0,0,0|2,0,0]=4 3673 B13R0.84 CCN(CC(C)C(=O)O)C(C)CCO 49df211c12f96fe1c0b550adc319b0d9 [0,2,0,0,0,0|2,0,0]=4 3674 B13R0.129 CCCCC(=O)N(CC)CCC(=O)N 32ab305fbdc4836372dc356687d27573 [0,2,0,0,0,0|2,0,0]=4 3675 B13R0.129 CCCCC(C)N(CC)CCC(=O)N 24cec307c663263c741f53c8cf5e8c98 [0,2,0,0,0,0|2,0,0]=4 3676 B13R0.129 CCCNC(=O)C(CC)NCC(=O)O ffb7906ee8625b18ca8a14108205b9fc [0,2,0,0,0,0|1,0,1]=4 3677 B13R0.129 CCCNC(=O)C(CC)OCC(=O)O 688f3dc60ae181e3c6ee989b0f6b2dd3 [0,2,0,0,0,0|1,0,1]=4 3678 B13R0.129 CCCNC(=O)[C@H](CC)NCC(=O)O 7094edb31ff88a82914d6f8c7cd09d56 [0,2,0,0,0,0|1,0,1]=4 3679 B13R0.129 CCN(CCC(=O)N)C(C)CCCO ec5373d007bcd452f172292d49507d7b [0,2,0,0,0,0|2,0,0]=4 3680 B13R0.321 CCCC(CC)N(CC)CCC(=O)N 46a786172aa67a4dac0a69b6fff3118f [0,2,0,0,0,0|2,0,0]=4 3681 B13R0.748 C=C(COC(CC)C(C)CCC)OC d7f238846b030e9094f28d31a223906c [0,2,0,0,0,0|2,0,0]=4 3682 B13R0.748 CCCC(=O)C(CC)NCC(=O)NO bd98dd1cf91ef39b079994927f1c5c2d [0,2,0,0,0,0|1,0,1]=4 3683 B13R0.748 CCCC(=O)C(CC)NCC(=O)OC 411b25d8499a76917c8c8b1a5f4e6241 [0,2,0,0,0,0|1,0,1]=4 3684 B13R0.748 CCCC(=O)N(CC)CCC(=O)OC 09f6b01de03398b4ed2e3b4a5e79c725 [0,2,0,0,0,0|1,0,1]=4 3685 B13R0.748 CCCC(C)C(CC)OCC(=O)CC 8a7116d6a0a84edd6493509d2e173f29 [0,2,0,0,0,0|2,0,0]=4 3686 B13R0.748 CCCC(C)C(CC)OCC(=O)NC e7cbd6851c545fa88393db1bd6f9b537 [0,2,0,0,0,0|2,0,0]=4 3687 B13R0.748 CCCC(C)C(CC)OCC(=O)OC ae6a552a7bf2ed50725922ca40db4d4d [0,2,0,0,0,0|1,0,0]=3 3688 B13R0.748 CCCC(C)N(CC)CCC(=O)NC bf2c6e0caa55a94604174d4ee5fdc4c0 [0,2,0,0,0,0|2,0,0]=4 3689 B13R0.748 CCCC(C)N(CC)CCC(=O)OC 574dc19084c5105fc18500e10d753a82 [0,2,0,0,0,0|1,0,0]=3 3690 B13R0.748 CCN(CCC(=O)OC)C(C)CCO ef2270b2c88b91a0b52f34aa3b86ce1e [0,2,0,0,0,0|2,0,0]=4 3691 B13R0.748 CCN(CCC(=O)OC)C(C)COC 9747a206b016f77eb6a81454a8af90d3 [0,2,0,0,0,0|2,0,0]=4 3692 B13R0.750 CCCC(=O)C(CC)N(C)CC(=O)O 465251b920dd99e3c0b2481c97375f12 [0,2,0,0,0,0|1,0,1]=4 3693 B13R0.1876 CCN(CCC(=O)N)C(C)CC(C)C e9360566c0cbaca3a0fdf47ae4c2cfd2 [0,2,0,0,0,0|2,0,0]=4 3694 B13R0.1876 CCN(CCN(C)C)C(C)CC(=O)O ff008f55829114375a8ed003f8eaaea2 [0,2,0,0,0,0|2,0,0]=4 3695 B13R0.26 C=CC(CCC(=O)O)NC(C)CCC cdad5063bb9d85de68954064af7ffeb9 [0,2,0,0,0,0|0,0,2]=4 3696 B13R0.26 C=C[C@H](CCC(=O)O)NC(C)CCC 0bcd0b46cab870e843b064d60b3aa6f2 [0,2,0,0,0,0|0,0,2]=4 3697 B13R0.26 CCN(CCC(=O)N)CC(O)COC f7811084ce60015ffa4c648e364982e3 [0,2,0,0,0,0|2,0,0]=4 3698 B13R0.26 CCNC(=O)CN(CC)CCC(=O)O f4e698626f1323bdf973ceff9c4cf5e7 [0,2,0,0,0,0|1,0,1]=4 3699 B13R0.26 CCOC(=O)CC(CC)OCC(=O)O 4cd9435a50839033c3ed51ab6186fd61 [0,2,0,0,0,0|1,0,1]=4 3700 B13R0.144 C=C(CN(CC)CCCCO)C(=O)O 75961414be713e19e643cba32d976072 [0,2,0,0,0,0|1,0,1]=4 3701 B13R0.144 C=C(CN(CC)CCCOC)C(=O)O 6c5da8139741e384fba23871e1897097 [0,2,0,0,0,0|1,0,1]=4 3702 B13R0.144 CCCCCC(CC)OC(C)C(=O)C 6aa8ec53d0c3b64cc2e9764da6c25463 [0,2,0,0,0,0|2,0,0]=4 3703 B13R0.144 CCCCCC(CC)OC(C)C(=O)N da173fca5d0f147be5dc4e9064d4a438 [0,2,0,0,0,0|2,0,0]=4 3704 B13R0.144 CCCCCC(CC)OC(C)C(=O)O 75b24621ba7fc9a37768dbf02763cef4 [0,2,0,0,0,0|1,0,0]=3 3705 B13R0.144 CCCCCC(CC)OC(F)C(=O)N 1043139d087ef0b7dc1857de5a8b9f49 [0,2,0,0,0,0|2,0,0]=4 3706 B13R0.144 CCCCCC(CC)OC(F)C(=O)O 23e4c8c3f44b4618ec0776d9bf956bbd [0,2,0,0,0,0|1,0,0]=3 3707 B13R0.144 CCCCCC(CC)O[C@@H](C)C(=O)N 17b5c40d3c91e99e18ebfc7c983eab49 [0,2,0,0,0,0|2,0,0]=4 3708 B13R0.144 CCCCCC(CC)O[C@@H](C)C(=O)O 2de039a22a5b363eef728d3255e2e33e [0,2,0,0,0,0|1,0,0]=3 3709 B13R0.144 CCCCCC(CC)O[C@@H](F)C(=O)O 3cd1737db633a2f778b7ff7c42fafd4d [0,2,0,0,0,0|1,0,0]=3 3710 B13R0.144 CCCCCC(CC)O[C@H](C)C(=O)N 0b8275ab75b952a151cdd69c5fa2fa6a [0,2,0,0,0,0|2,0,0]=4 3711 B13R0.144 CCCCCC(CC)O[C@H](C)C(=O)O aa750c36667f2dc96e1ed8b00410a071 [0,2,0,0,0,0|1,0,0]=3 3712 B13R0.144 CCCCC[C@H](CC)OC(C)C(=O)C d9691cda84242d883a128b048d572732 [0,2,0,0,0,0|2,0,0]=4 3713 B13R0.144 CCCCC[C@H](CC)OC(C)C(=O)N 0fa5cb0c315ba448c3cac7128d07d99e [0,2,0,0,0,0|2,0,0]=4 3714 B13R0.144 CCCCC[C@H](CC)OC(C)C(=O)O 2dcec0bc494277ffa7b5c4de80e17d6b [0,2,0,0,0,0|1,0,0]=3 3715 B13R0.144 CCCCC[C@H](CC)OC(F)C(=O)N 2e1f6342799d3b5e406096064da3c8b8 [0,2,0,0,0,0|2,0,0]=4 3716 B13R0.144 CCCCC[C@H](CC)OC(F)C(=O)O 7b715aca0af6fe40fb682e67a340bd8f [0,2,0,0,0,0|1,0,0]=3 3717 B13R0.144 CCCCC[C@H](CC)O[C@@H](C)C(=O)N 9b8058c81cebde949f74d999bc1c065a [0,2,0,0,0,0|2,0,0]=4 3718 B13R0.144 CCCCC[C@H](CC)O[C@@H](C)C(=O)O 48ddc799af78d6a19448dcae1c2952f5 [0,2,0,0,0,0|1,0,0]=3 3719 B13R0.144 CCCCC[C@H](CC)O[C@@H](F)C(=O)O 17e1c0d5999dbfa0fce8c61437258bdf [0,2,0,0,0,0|1,0,0]=3 3720 B13R0.144 CCCCC[C@H](CC)O[C@H](C)C(=O)N 9b1d250a69a9c9f7e97532902714c718 [0,2,0,0,0,0|2,0,0]=4 3721 B13R0.144 CCCCC[C@H](CC)O[C@H](C)C(=O)O 937225ea9d825fee41d4d5a94682faa0 [0,2,0,0,0,0|1,0,0]=3 3722 B13R0.144 CCN(CCCCO)CC(C)C(=O)O 664d0ccf5d9138b2ea92a5272cbb71d9 [0,2,0,0,0,0|1,0,0]=3 3723 B13R0.144 CCN(CCCOC)CC(C)C(=O)O 6481eb482e272e1002d779efd3c09e56 [0,2,0,0,0,0|1,0,0]=3 3724 B13R0.285 C#CCCCCN(CC)CCC(=O)N 730a2e198c9a4e438e3e2c46251f9556 [0,2,0,0,0,0|2,0,0]=4 3725 B13R0.285 C/C=C\CCCN(CC)CCC(=O)N 5cd2f8c23c338bc22ff74da365f05462 [0,2,0,0,0,0|2,0,0]=4 3726 B13R0.285 C=CC(CCC(=O)O)NCCCCC c0324ab289445347d6776a56c172b11c [0,2,0,0,0,0|0,0,2]=4 3727 B13R0.285 C=CC(CCC(=O)O)NCCCCF 06439fddcf49e78d6ec86f9cc4d71255 [0,2,0,0,0,0|0,0,2]=4 3728 B13R0.285 C=CC(CCC(=O)O)NCCCCO 1c5aa9daccbc56187aebdcdfb0e836ae [0,2,0,0,0,0|0,0,2]=4 3729 B13R0.285 C=CC(CCC(=O)O)NCCCOC 76c40d6a047e5bc06167ba215adb27e4 [0,2,0,0,0,0|0,0,2]=4 3730 B13R0.285 C=CC(CCC(=O)O)NCCCSC 1875ac92565288cc534bd5689ab53ccc [0,2,0,0,0,0|0,0,2]=4 3731 B13R0.285 C=CC(CCC(=O)O)NCCOCC d0b53af6e7824e55db91cee1113f5ddc [0,2,0,0,0,0|0,0,2]=4 3732 B13R0.285 C=CC(CCC(=O)O)NCCSCC 3ac649408972ef984a25b73ccf612050 [0,2,0,0,0,0|0,0,2]=4 3733 B13R0.285 C=CCCCCN(CC)CCC(=O)N 76e84dd3e80eb826a40e1b9d2cd79baa [0,2,0,0,0,0|2,0,0]=4 3734 B13R0.285 C=C[C@H](CCC(=O)O)NCCCCC 29e6bb3ba0c197726d7be4b3ad16a23e [0,2,0,0,0,0|0,0,2]=4 3735 B13R0.285 C=C[C@H](CCC(=O)O)NCCCCF cb84ddcc7cd06a4e6acc41886f7003de [0,2,0,0,0,0|0,0,2]=4 3736 B13R0.285 C=C[C@H](CCC(=O)O)NCCCCO bd560268dad25cc7d01b353ccb9beb28 [0,2,0,0,0,0|0,0,2]=4 3737 B13R0.285 C=C[C@H](CCC(=O)O)NCCCOC 10aaa2a4ee38934eb7b8c54f6023ac4c [0,2,0,0,0,0|0,0,2]=4 3738 B13R0.285 C=C[C@H](CCC(=O)O)NCCCSC 480c0885923a0b4bd8963fee71838503 [0,2,0,0,0,0|0,0,2]=4 3739 B13R0.285 C=C[C@H](CCC(=O)O)NCCOCC e9aa02c7f856fd1246aa2d8e985d7333 [0,2,0,0,0,0|0,0,2]=4 3740 B13R0.285 C=C[C@H](CCC(=O)O)NCCSCC f5981a91c5dc987da77b4e5c3e04793b [0,2,0,0,0,0|0,0,2]=4 3741 B13R0.285 CC/C=C\CCN(CC)CCC(=O)N b3703acfa5deb2f1c144c19cbbc110a1 [0,2,0,0,0,0|2,0,0]=4 3742 B13R0.285 CCC/C=C/CN(CC)CCC(=O)N 609eb31f471967506060bf5978cc394d [0,2,0,0,0,0|2,0,0]=4 3743 B13R0.285 CCC/C=C\CN(CC)CCC(=O)N e380d58ca908d5e7b55078201d3d5248 [0,2,0,0,0,0|2,0,0]=4 3744 B13R0.285 CCCCCCC(CC)OCC(=O)N cdb5489bfb8c467907e4004ebf870721 [0,2,0,0,0,0|2,0,0]=4 3745 B13R0.285 CCCCCCC(CC)OCC(=O)O 507998d931e9a2cf5d8c959f11e5e01f [0,2,0,0,0,0|1,0,0]=3 3746 B13R0.285 CCCCCCN(CC)CCC(=O)N d473081b7ed320d0426a523e853139db [0,2,0,0,0,0|2,0,0]=4 3747 B13R0.285 CCCCOCN(CC)CCC(=O)N a3d9c71261c4b4932296e85a95562ce6 [0,2,0,0,0,0|2,0,0]=4 3748 B13R0.285 CCCOCCN(CC)CCC(=O)N 03af53cb4153b3d01ed2db979b49d537 [0,2,0,0,0,0|2,0,0]=4 3749 B13R0.285 CCN(CCC(=O)N)COCCOC b72c02b2e9d9faaf847358d9accc55d7 [0,2,0,0,0,0|2,0,0]=4 3750 B13R0.285 CCN(CCCCC#N)CCC(=O)N cb164c97013cda7f7133b43f63439efc [0,2,0,0,0,0|2,0,0]=4 3751 B13R0.285 CCN(CCCCC=O)CCC(=O)N 8862901fb7341d30d478ec9538ee9ab8 [0,2,0,0,0,0|2,0,0]=4 3752 B13R0.285 CCN(CCCCOC)CCC(=O)N b62295814e7da0d1c2f962a4adf1b82e [0,2,0,0,0,0|2,0,0]=4 3753 B13R0.285 CCN(CCCCON)CCC(=O)N 551b1374a2590d44b37c0ddb86ab7f06 [0,2,0,0,0,0|2,0,0]=4 3754 B13R0.285 CCN(CCOCOC)CCC(=O)N 41637a55100a504c04e8008426656068 [0,2,0,0,0,0|2,0,0]=4 3755 B13R0.285 CCOCCCN(CC)CCC(=O)N 881957420302abfebcbc847284702461 [0,2,0,0,0,0|2,0,0]=4 3756 B13R0.435 C=C(C)CCN(CC)CCC(=O)OC 2c43336f4915b5e11a9571e83d703a03 [0,2,0,0,0,0|1,0,1]=4 3757 B13R0.435 C=CC(CCC(=O)O)NCC(C)CC 0f08579b39428a6e71abcb8df127cd52 [0,2,0,0,0,0|0,0,2]=4 3758 B13R0.435 C=CC(CCC(=O)O)NCC(O)CC 16c50119a99bbad6e18df5e56d5473bd [0,2,0,0,0,0|0,0,2]=4 3759 B13R0.435 C=CC(CCC(=O)O)NC[C@@H](C)CC dc0fffac949d1d54c7259b7a8d0aada1 [0,2,0,0,0,0|0,0,2]=4 3760 B13R0.435 C=CC(CCC(=O)O)NC[C@H](C)CC 3b3c0458af6f8bf686155a0270c61aac [0,2,0,0,0,0|0,0,2]=4 3761 B13R0.435 C=C[C@H](CCC(=O)O)NCC(C)CC fae8cd6e3e43bcb59e87d930e2277cf2 [0,2,0,0,0,0|0,0,2]=4 3762 B13R0.435 C=C[C@H](CCC(=O)O)NCC(O)CC 23226e8faf9066385325764355ef5582 [0,2,0,0,0,0|0,0,2]=4 3763 B13R0.435 C=C[C@H](CCC(=O)O)NC[C@@H](C)CC ef07973b3b12c0c687b926fa911d803c [0,2,0,0,0,0|0,0,2]=4 3764 B13R0.435 C=C[C@H](CCC(=O)O)NC[C@H](C)CC 29afc53989e37fe0eda1d2bda4b19c8b [0,2,0,0,0,0|0,0,2]=4 3765 B13R0.435 CCC(C)CCN(CC)CCC(=O)N 2eccddbf88ae398c418b18fe140efb7a [0,2,0,0,0,0|2,0,0]=4 3766 B13R0.435 CCN(CCC(=O)C)CCC(=O)OC 0dc846c3d29a3babf8ecea380355dff9 [0,2,0,0,0,0|1,0,1]=4 3767 B13R0.435 CCN(CCC(=O)N)CCC(C)CO 9b93fadf39e9e5cc9c45e47ec3911de9 [0,2,0,0,0,0|2,0,0]=4 3768 B13R0.435 CCN(CCC(=O)NC)CCC(C)C 3cb30d4e57e46b2f5d3d44586803d40b [0,2,0,0,0,0|2,0,0]=4 3769 B13R0.435 CCN(CCC(=O)NC)CCC(C)O e8913475ab1ec16bdccccd4a3a083755 [0,2,0,0,0,0|2,0,0]=4 3770 B13R0.435 CCN(CCC(=O)O)CCC(=O)NC b80f509d1ea166ea50a5925b9171847b [0,2,0,0,0,0|1,0,1]=4 3771 B13R0.435 CCN(CCC(=O)OC)CCC(C)C f04a67d1da56f97b45a81c207f2f3ce4 [0,2,0,0,0,0|1,0,0]=3 3772 B13R0.435 CCN(CCC(=O)OC)CCC(C)O e008989c1bcbc2614929f0db2ac36b04 [0,2,0,0,0,0|1,0,0]=3 3773 B13R0.435 CCN(CCC(=O)OC)CCN(C)C 60694470be3a69c4cf1cf015fa5f3597 [0,2,0,0,0,0|2,0,0]=4 3774 B13R0.435 CCN(CCC(=O)OC)CCS(=O)C 969071fe028ed169a65bfe7f9d3e1f2a [0,2,0,0,0,0|2,0,0]=4 3775 B13R0.435 CCN(CCC(=O)OC)COC(C)C 9bab37ea30853ed935a5ddf057e3a42a [0,2,0,0,0,0|2,0,0]=4 3776 B13R0.472 CCCCCN(CC)C(C)CC(=O)O 2d09e3aed55398cbfada686b76d97db6 [0,2,0,0,0,0|1,0,0]=3 3777 B13R0.472 CCCCCN(CF)C(C)CC(=O)O 52b9870bf21fd00b859c10c3961fec75 [0,2,0,0,0,0|2,0,0]=4 3778 B13R0.472 CCCCCN(CO)C(C)CC(=O)O 01efe0d646edbfb8acfe203e327a2d2d [0,2,0,0,0,0|2,0,0]=4 3779 B13R0.472 CCN(CCCCO)C(C)CC(=O)O e762075d63d47d76d21786a1f839ac95 [0,2,0,0,0,0|1,0,0]=3 3780 B13R0.472 CCN(CCCOC)C(C)CC(=O)O 8c2ccdf73560c581c99255404ec2e1cb [0,2,0,0,0,0|1,0,0]=3 3781 B13R0.472 CCOCCN(CC)C(C)CC(=O)O ae4d28152e471e5713ec6c572a582b56 [0,2,0,0,0,0|1,0,0]=3 3782 B13R0.1052 C#CCCCN(CC)CCC(=O)OC a117f1420dff8cf909c715b00d8f11a1 [0,2,0,0,0,0|1,0,1]=4 3783 B13R0.1052 C=C(COC(CC)CCCCC)OC 5114a249a84626b5a77ef0f42e37aa22 [0,2,0,0,0,0|2,0,0]=4 3784 B13R0.1052 C=C(CO[C@@H](CC)CCCCC)OC f042e2e0c91c0dd6941121f831cc3e47 [0,2,0,0,0,0|2,0,0]=4 3785 B13R0.1052 C=CCCCN(CC)CCC(=O)OC 59c6237d62c9c33805cd65fc156d9be5 [0,2,0,0,0,0|1,0,1]=4 3786 B13R0.1052 CC/C=C/CN(CC)CCC(=O)OC a82252717186a93ed35f32e1b0ff86ab [0,2,0,0,0,0|1,0,1]=4 3787 B13R0.1052 CCCCCC(CC)OCC(=O)CC fdcff44153db13d5bbe568160636ede3 [0,2,0,0,0,0|2,0,0]=4 3788 B13R0.1052 CCCCCC(CC)OCC(=O)NC cf2c2fbbff499ecd6ac6fe8d1b33421e [0,2,0,0,0,0|2,0,0]=4 3789 B13R0.1052 CCCCCC(CC)OCC(=O)OC a98d105685bf4b1a3771d88781caa4d7 [0,2,0,0,0,0|1,0,0]=3 3790 B13R0.1052 CCCCCN(CC)CCC(=O)NC a1b7c59215db9bf6bed48177f4dd2abb [0,2,0,0,0,0|2,0,0]=4 3791 B13R0.1052 CCCCCN(CC)CCC(=O)OC 602a280bf866570bfb8835e26c8f4d2d [0,2,0,0,0,0|1,0,0]=3 3792 B13R0.1052 CCCCC[C@H](CC)OCC(=O)CC 9e3451e2ed616b72433ee4171f269552 [0,2,0,0,0,0|2,0,0]=4 3793 B13R0.1052 CCCCC[C@H](CC)OCC(=O)NC 93f598c357d438ebc419d0125a01d2fe [0,2,0,0,0,0|2,0,0]=4 3794 B13R0.1052 CCCCC[C@H](CC)OCC(=O)OC 8a887ec9c8bf2b80063803e4e7471204 [0,2,0,0,0,0|1,0,0]=3 3795 B13R0.1052 CCN(CCCC#N)CCC(=O)OC 867dac3e815070cbac359319334aeea7 [0,2,0,0,0,0|1,0,1]=4 3796 B13R0.1052 CCN(CCCC=O)CCC(=O)OC ae57618dcf6ce3e4eace1ed4cf91ee77 [0,2,0,0,0,0|1,0,1]=4 3797 B13R0.1052 CCN(CCCCF)CCC(=O)NC 30d077f64105930c7e1326a2c4db93b0 [0,2,0,0,0,0|2,0,0]=4 3798 B13R0.1052 CCN(CCCCF)CCC(=O)OC 2debbfe291d3e93630f6e19bb0c46e3c [0,2,0,0,0,0|1,0,0]=3 3799 B13R0.1052 CCN(CCCCO)CCC(=O)NC ce6feb17e1644110d129e624919e4d71 [0,2,0,0,0,0|2,0,0]=4 3800 B13R0.1052 CCN(CCCCO)CCC(=O)OC ac9fd696e59bea5e3bea2b6c3e8cb952 [0,2,0,0,0,0|1,0,0]=3 3801 B13R0.1052 CCN(CCCCO)COC(=O)OC a0c9395718920101398aa9102234e725 [0,2,0,0,0,0|2,0,0]=4 3802 B13R0.1052 CCN(CCCOC)CCC(=O)NC 724d2becf2a395c6315e6c7fd554fa30 [0,2,0,0,0,0|2,0,0]=4 3803 B13R0.1052 CCN(CCCOC)CCC(=O)OC 6f12213655816119a28cedcabea64b36 [0,2,0,0,0,0|1,0,0]=3 3804 B13R0.1052 CCN(CCCOC)COC(=O)OC 25628d6adf6076e8f39ac04cd2b35d7a [0,2,0,0,0,0|2,0,0]=4 3805 B13R0.1052 CCN(CCCSC)CCC(=O)NC aad2065ea1ded8705ecac1ef760ad53c [0,2,0,0,0,0|2,0,0]=4 3806 B13R0.1052 CCN(CCCSC)CCC(=O)OC bbc8a6b3acb56db0db4a878a448340d4 [0,2,0,0,0,0|1,0,0]=3 3807 B13R0.1052 CCOCCN(CC)CCC(=O)NC df83985a042bb90c9bdd3c7a54a56810 [0,2,0,0,0,0|2,0,0]=4 3808 B13R0.1052 CCOCCN(CC)CCC(=O)OC 9c2f3d08bb700848d39d1c562226a874 [0,2,0,0,0,0|1,0,0]=3 3809 B13R0.1052 CCOCCN(CC)COC(=O)OC d26c0575041e3c20c345d248bf8fcf4d [0,2,0,0,0,0|2,0,0]=4 3810 B13R0.1052 CCSCCN(CC)CCC(=O)NC f1d0f757eb62a956886d87d8ad3b9b5a [0,2,0,0,0,0|2,0,0]=4 3811 B13R0.1052 CCSCCN(CC)CCC(=O)OC 6978df07029d4d9706c1b9db33ee1d3b [0,2,0,0,0,0|1,0,0]=3 3812 B13R0.1054 CCCCCC(CC)OCS(=O)(=O)O 4699b32de4c873b9b7c465c1f215ed6b [0,2,0,0,0,0|2,0,0]=4 3813 B13R0.1054 CCCCC[C@H](CC)OCS(=O)(=O)O d303a8b72b26498f7ac6e9efeddbad98 [0,2,0,0,0,0|2,0,0]=4 3814 B13R0.1054 CCN(CCCCO)CCS(=O)(=O)O 88cfe59d318e205195e1eefb7e2cb525 [0,2,0,0,0,0|2,0,0]=4 3815 B13R0.1054 CCN(CCCOC)CCS(=O)(=O)O 0f8caf5e8c932f9f13a42bdee08d66c9 [0,2,0,0,0,0|2,0,0]=4 3816 B13R0.1054 CCOCCN(CC)CCS(=O)(=O)O ab1e40895504f1d4090484dd99539a79 [0,2,0,0,0,0|2,0,0]=4 3817 B13R0.199 C=C(CN(CC)CC(O)CC)C(=O)O ee60405192b60a16f509e0c2cc247a07 [0,2,0,0,0,0|1,0,1]=4 3818 B13R0.199 CCC(C)CC(CC)OC(C)C(=O)C ca987ef1422b49e30dc10c9702a1d2d9 [0,2,0,0,0,0|2,0,0]=4 3819 B13R0.199 CCC(C)CC(CC)OC(C)C(=O)N 4d744a8044a6f25c134796075bad003c [0,2,0,0,0,0|2,0,0]=4 3820 B13R0.199 CCC(C)CC(CC)OC(C)C(=O)O 559f77abd1e22da02cb6fb6cc00f4eb7 [0,2,0,0,0,0|1,0,0]=3 3821 B13R0.199 CCC(C)CC(CC)OC(F)C(=O)N b56489dfdebdfe8376a5137b86719778 [0,2,0,0,0,0|2,0,0]=4 3822 B13R0.199 CCC(C)CC(CC)O[C@@H](C)C(=O)N d4237aba38193dd6c0d43160516e2ab0 [0,2,0,0,0,0|2,0,0]=4 3823 B13R0.199 CCC(C)CC(CC)O[C@@H](C)C(=O)O 6b1bd7a034bb6255a3d10403423c43ef [0,2,0,0,0,0|1,0,0]=3 3824 B13R0.199 CCC(C)CC(CC)O[C@H](C)C(=O)N 67ca6611de0894edd822cd9bccad2658 [0,2,0,0,0,0|2,0,0]=4 3825 B13R0.199 CCC(C)CC(CC)O[C@H](C)C(=O)O 65e8eafc476d02dfe4908d6a0c450973 [0,2,0,0,0,0|1,0,0]=3 3826 B13R0.199 CCC(O)CN(CC)CC(=O)C(=O)O 00856318ef1ab83b58429738031966a7 [0,2,0,0,0,0|1,0,1]=4 3827 B13R0.199 CCC(O)CN(CC)CC(C)C(=O)O ea0ff086d7cb13bfa4fcb6b9a0981b80 [0,2,0,0,0,0|1,0,0]=3 3828 B13R0.436 C=C(CC)CN(CC)CCC(=O)OC 5b65af42d7af9ab84b0c32d0390f9b28 [0,2,0,0,0,0|1,0,1]=4 3829 B13R0.436 C=C(COC(CC)CC(C)CC)OC 8f54b425eed1d8f7fb42717c01773063 [0,2,0,0,0,0|2,0,0]=4 3830 B13R0.436 CCC(=O)CN(CC)CCC(=O)OC cd099d74f59cb4019ed33e485e3b96c4 [0,2,0,0,0,0|1,0,1]=4 3831 B13R0.436 CCC(=O)COC(CC)CC(C)CC d7e04c1af867aba226b6c429579caa23 [0,2,0,0,0,0|2,0,0]=4 3832 B13R0.436 CCC(C)CC(CC)OCC(=O)NC 65e6a0dda488ebfd8b3ca54df7a71a49 [0,2,0,0,0,0|2,0,0]=4 3833 B13R0.436 CCC(C)CC(CC)OCC(=O)OC f8e84806c91271419b38313b5a3716c3 [0,2,0,0,0,0|1,0,0]=3 3834 B13R0.436 CCC(C)CN(CC)CCC(=O)NC e8e4a23484315b55f750ca72fbfa13c5 [0,2,0,0,0,0|2,0,0]=4 3835 B13R0.436 CCC(C)CN(CC)CCC(=O)OC 07ab53fd5ca0d784b06604af0445c012 [0,2,0,0,0,0|1,0,0]=3 3836 B13R0.436 CCC(O)CN(CC)CCC(=O)NC 62a5b69bad89a969c274e446e7113d81 [0,2,0,0,0,0|2,0,0]=4 3837 B13R0.436 CCC(O)CN(CC)CCC(=O)OC 294658b5ccf473dd10a1d57a53f6e0f2 [0,2,0,0,0,0|1,0,0]=3 3838 B13R0.436 CCC(O)CN(CC)COC(=O)OC 67d4042b25a91b19d6a5a185a5dadb85 [0,2,0,0,0,0|2,0,0]=4 3839 B13R0.436 CCN(CCC(=O)OC)CC(C)CO ea8568b9aa4cdae93287791179feb14e [0,2,0,0,0,0|2,0,0]=4 3840 B13R0.436 CCN(CCC(=O)OC)CC(C)OC b50507401183ba2c71840a86836328b7 [0,2,0,0,0,0|2,0,0]=4 3841 B13R0.436 CCN(CCC(=O)OC)CC(O)CF bf84ab4fb14f3e5d9faa2f709e988bb4 [0,2,0,0,0,0|2,0,0]=4 3842 B13R0.436 CCN(CCC(=O)OC)C[C@@H](C)CO 5afee3bd5a9c30832de3997df4804835 [0,2,0,0,0,0|2,0,0]=4 3843 B13R0.436 CCN(CCC(=O)OC)C[C@@H](C)OC 5294c92dc1248e6884950c9ae1725628 [0,2,0,0,0,0|2,0,0]=4 3844 B13R0.436 CCN(CCC(=O)OC)C[C@H](C)CO 4344d11c3bf9078c4a0012c1dc452150 [0,2,0,0,0,0|2,0,0]=4 3845 B13R0.436 CCN(CCC(=O)OC)C[C@H](C)OC 61dd2b477f9fc0705fe3c7b4974845f9 [0,2,0,0,0,0|2,0,0]=4 3846 B13R0.436 CC[C@@H](C)CN(CC)CCC(=O)NC 09937f0f387cb0d0c45ca5bedb2e2ef9 [0,2,0,0,0,0|2,0,0]=4 3847 B13R0.436 CC[C@@H](C)CN(CC)CCC(=O)OC 330a6706c7de8072363ddf0ef1319e3e [0,2,0,0,0,0|1,0,0]=3 3848 B13R0.436 CC[C@H](C)CN(CC)CCC(=O)NC 15987d3a1609ac155d0d72fa9e1ee5cd [0,2,0,0,0,0|2,0,0]=4 3849 B13R0.436 CC[C@H](C)CN(CC)CCC(=O)OC 8297ddeeb57a78ecc601e330904a3916 [0,2,0,0,0,0|1,0,0]=3 3850 B13R0.844 CCC(O)CN(CC)CCS(=O)(=O)O 85de63b5d563835f763f209e2dba45af [0,2,0,0,0,0|2,0,0]=4 3851 B13R0.845 CCC(O)CN(CC)C(C)CC(=O)O f4601695c83745cfbce2b63543112d68 [0,2,0,0,0,0|1,0,0]=3 3852 B13R0.1230 CCC(CN(CC)CC)OCC(=O)O adf59854e0118988b32efda4e1ca9319 [0,2,0,0,0,0|2,0,0]=4 3853 B13R0.1230 CCC(CO)CN(CC)CCC(=O)N b3d6a69e10a91f2a4eb0cef366e06eac [0,2,0,0,0,0|2,0,0]=4 3854 B13R0.1361 CCN(CCC(=O)N)CC(C)C(C)C 5617b9eea5d85772aa88598ddc0dbf43 [0,2,0,0,0,0|2,0,0]=4 3855 B13R0.1361 CCN(CCN(C)C)CC(C)C(=O)O 2e387382211265378007de7f4f19ad2f [0,2,0,0,0,0|2,0,0]=4 3856 B13R0.1361 CCN(CCN(C)C)CC(O)C(=O)O db484fd25b5adad2bffa90450b4c55a2 [0,2,0,0,0,0|2,0,0]=4 3857 B13R0.1361 CCN(CCN(C)C)C[C@H](O)C(=O)O 577f21e8addbd12a5b57fd7ddcd2e1b2 [0,2,0,0,0,0|2,0,0]=4 3858 B13R0.299 CCC(CC(=O)O)N(CC)CCCF 25ecf8402591eb3ae86c17ead39ce091 [0,2,0,0,0,0|2,0,0]=4 3859 B13R0.299 CCC(CC(=O)O)N(CC)CCCO 445f91a012f9ecbbd721f782a7cd5048 [0,2,0,0,0,0|2,0,0]=4 3860 B13R0.299 CCC(CC(=O)O)N(CC)CCCS 8494b3bde8fad763234546e54549ee61 [0,2,0,0,0,0|2,0,0]=4 3861 B13R0.299 CCC(CC(=O)O)N(CC)CCOC 7efbeaa632f2f4ec06382446b746af48 [0,2,0,0,0,0|2,0,0]=4 3862 B13R0.299 CCC(CC(=O)O)N(CC)CCSC cf5197f8825fbc0f7e5c6513bd7d1f83 [0,2,0,0,0,0|2,0,0]=4 3863 B13R0.299 CCCCC(CO)N(CC)CC(=O)O 08d49f4269a7e08f38bdf445eed5d421 [0,2,0,0,0,0|2,0,0]=4 3864 B13R0.299 CCCCN(CC)C(CC)CC(=O)O 9b31db6e85531ae5843ed2c3e638a5bf [0,2,0,0,0,0|1,0,0]=3 3865 B13R0.299 CCOCN(CC)C(CC)CC(=O)O bedd0a5feccbfb3a2cec67bc38850007 [0,2,0,0,0,0|2,0,0]=4 3866 B13R0.302 CCCCC(CC)N(C)C(C)C(=O)N 4de8902a14ffcb836f9c29a3e1b77077 [0,2,0,0,0,0|2,0,0]=4 3867 B13R0.302 CCCCC(CC)N(C)C(C)C(=O)O f419763b2d65491d6a81f50c248d10ba [0,2,0,0,0,0|1,0,0]=3 3868 B13R0.302 CCCCC(CC)N(C)[C@@H](C)C(=O)N 73d89e55a1e4310ac786bff86ccdba51 [0,2,0,0,0,0|2,0,0]=4 3869 B13R0.302 CCCCC(CC)N(C)[C@@H](C)C(=O)O 79e854de334997e55c3533793a4b72f3 [0,2,0,0,0,0|1,0,0]=3 3870 B13R0.302 CCCCC(CC)N(C)[C@H](C)C(=O)O 81a725a9bd9f0b3540d1ccd8eb94b46f [0,2,0,0,0,0|1,0,0]=3 3871 B13R0.302 CCCCC(CO)N(C)C(C)C(=O)O 5a97b946a6b315dad0f4784267c2491f [0,2,0,0,0,0|2,0,0]=4 3872 B13R0.302 CCCCC(CO)N(C)[C@@H](C)C(=O)O 16422702b41bdb9282412774de768be5 [0,2,0,0,0,0|2,0,0]=4 3873 B13R0.302 CCCCC(CO)N(C)[C@H](C)C(=O)O d6e1e053bde1c970249f2fff870cfaea [0,2,0,0,0,0|2,0,0]=4 3874 B13R0.376 CCCCC(CC)N(C)CC(=O)NC 56783419599ac51fa862664970b0a3ac [0,2,0,0,0,0|2,0,0]=4 3875 B13R0.376 CCCCC(CC)N(C)CC(=O)OC 35708d92152c5e323ba065b1635d1926 [0,2,0,0,0,0|1,0,0]=3 3876 B13R0.376 CCCCC(CO)N(C)CC(=O)OC 2f11ae9b92fb28cce4ed3e5a46942c5c [0,2,0,0,0,0|2,0,0]=4 3877 B13R0.376 CCCCN(CC)C(=O)CC(=O)OC 43062219151a0777b162b48c129b2384 [0,2,0,0,0,0|1,0,1]=4 3878 B13R0.376 CCCCN(CC)C(C)CC(=O)OC 71f4c66ba7412250ce3007c7f3f8573f [0,2,0,0,0,0|1,0,0]=3 3879 B13R0.376 CCCCN(CC)C(C)OC(=O)OC 064dde33e78ddaff43a37e4d4066db7c [0,2,0,0,0,0|2,0,0]=4 3880 B13R0.376 CCCCN(CC)[C@@H](C)CC(=O)OC e646eaac7aed2df2f8c086187e06e962 [0,2,0,0,0,0|1,0,0]=3 3881 B13R0.376 CCN(CCCO)C(C)CC(=O)OC 2c934b0358cd879019146cb9244f9de6 [0,2,0,0,0,0|2,0,0]=4 3882 B13R0.376 CCN(CCCO)[C@@H](C)CC(=O)OC b18962971f74c6bc7890df3edde0c544 [0,2,0,0,0,0|2,0,0]=4 3883 B13R0.305 C#CCC(=O)NCC(CC)CCCC dfa12c7c400c0981f4ce9d1c354eee7f [0,2,0,0,0,0|2,0,0]=4 3884 B13R0.305 C/C=C/C(=O)NCC(CC)CCCC 6e4f8f8f3e805fa49b9dddf51f37fd0f [0,2,0,0,0,0|2,0,0]=4 3885 B13R0.305 C=CCC(=O)NCC(CC)CCCC 5eb1df25c4c7f4d0c3e490c563ff8f84 [0,2,0,0,0,0|2,0,0]=4 3886 B13R0.305 C=COC(=O)CNC(CO)CCCC bd0cf9c255443387e966f1ea5d8ebb0f [0,2,0,0,0,0|2,0,0]=4 3887 B13R0.305 C=COC(=O)CN[C@@H](CO)CCCC a3fae3220a6d4a9bebd295b8890a8fae [0,2,0,0,0,0|2,0,0]=4 3888 B13R0.305 C=COC(=O)CN[C@H](CO)CCCC 456b62a21fca4950c103bbc3d6942fb1 [0,2,0,0,0,0|2,0,0]=4 3889 B13R0.305 C=COC(=O)COC(CC)CCCC b3dc655cd72930104e438f6c59bff67d [0,2,0,0,0,0|1,0,0]=3 3890 B13R0.305 CC#CC(=O)NCC(CC)CCCC 500b20e0c76976f4fdd110fc36db05a9 [0,2,0,0,0,0|2,0,0]=4 3891 B13R0.305 CCCCC(CC)CCC(=O)NC#N aa71a5283df6d894502da168af78c012 [0,2,0,0,0,0|1,0,0]=3 3892 B13R0.305 CCCCC(CC)CNC(=O)/C=C/Br c70091c0bac637f030890d492a90c08e [0,2,0,0,0,0|2,0,0]=4 3893 B13R0.305 CCCCC(CC)CNC(=O)/C=C/Cl ac132446de8733312bf86ea82587ab79 [0,2,0,0,0,0|2,0,0]=4 3894 B13R0.305 CCCCC(CC)CNC(=O)/C=C/I 1b482a465d6e44b592628dced50ab166 [0,2,0,0,0,0|2,0,0]=4 3895 B13R0.305 CCCCC(CC)CNC(=O)/C=C\Br d8840ef410b5d101cd84fee2ba1a2a44 [0,2,0,0,0,0|2,0,0]=4 3896 B13R0.305 CCCCC(CC)CNC(=O)/C=C\Cl 9da87f45cf69be6e1893ac6bcabc0afa [0,2,0,0,0,0|2,0,0]=4 3897 B13R0.305 CCCCC(CC)CNC(=O)/C=C\I 0ec682b193b25261b66b6b035c8a1986 [0,2,0,0,0,0|2,0,0]=4 3898 B13R0.305 CCCCC(CC)CNC(=O)C#CBr b4ef528194a72e724bb988b03a819772 [0,2,0,0,0,0|2,0,0]=4 3899 B13R0.305 CCCCC(CC)CNC(=O)C=CBr 387079fa376eefc965f50c7bb90245ec [0,2,0,0,0,0|2,0,0]=4 3900 B13R0.305 CCCCC(CC)CNC(=O)C=CI 59610c1a7c0820ff41508a278d762102 [0,2,0,0,0,0|2,0,0]=4 3901 B13R0.305 CCCCC(CC)CNC(=O)CC#N ba9ada383a9d9cb5d54dc3724a602c6a [0,2,0,0,0,0|2,0,0]=4 3902 B13R0.305 CCCCC(CC)CNC(=O)CC=O 283c60bb4beb67067d6f6a6ee4e31bc4 [0,2,0,0,0,0|1,0,1]=4 3903 B13R0.305 CCCCC(CC)CNC(=O)CCC 1486dc59c3c319ffbd7dc6841d06839f [0,2,0,0,0,0|2,0,0]=4 3904 B13R0.305 CCCCC(CC)CNC(=O)CCF ad6c4441d3c6450371d5029ecfc937c4 [0,2,0,0,0,0|2,0,0]=4 3905 B13R0.305 CCCCC(CC)CNC(=O)CCO 9280dac2be1bbc7d3a238112cca34c99 [0,2,0,0,0,0|1,0,0]=3 3906 B13R0.305 CCCCC(CC)CNC(=O)CCS c14546665a7ee54bc555595a1ab0687e [0,2,0,0,0,0|1,1,0]=4 3907 B13R0.305 CCCCC(CC)CNC(=O)COC 41cefcf7577613e424e9664a23ca4784 [0,2,0,0,0,0|1,0,0]=3 3908 B13R0.305 CCCCC(CC)CNC(=O)CON 3c28c4981e3204794cc302642e7af171 [0,2,0,0,0,0|1,0,0]=3 3909 B13R0.305 CCCCC(CC)CNC(=O)CSC 1b624a2531207fcc6fc8810a76e537a0 [0,2,0,0,0,0|1,1,0]=4 3910 B13R0.305 CCCCC(CC)CNC(=O)NC#N a951181bdaaa3b81b3410815b583a0f5 [0,2,0,0,0,0|2,0,0]=4 3911 B13R0.305 CCCCC(CC)NCC(=O)NCC b3439d92a8d6180360f42f104b5f73e4 [0,2,0,0,0,0|2,0,0]=4 3912 B13R0.305 CCCCC(CC)NCC(=O)OCC 29e7eeb3ffd9cb385fd8486d19b05031 [0,2,0,0,0,0|1,0,0]=3 3913 B13R0.305 CCCCC(CC)OCC(=O)CCC 5873f7986798e6fa52fb94e966bd0bbc [0,2,0,0,0,0|2,0,0]=4 3914 B13R0.305 CCCCC(CC)OCC(=O)COC a57a2315dd252ada5112b9fdd5d07cd5 [0,2,0,0,0,0|1,0,0]=3 3915 B13R0.305 CCCCC(CC)OCC(=O)NCC 261ef6018c7fcda19e850024d87b54b0 [0,2,0,0,0,0|2,0,0]=4 3916 B13R0.305 CCCCC(CC)OCC(=O)OCC 7a1b0880e4ca404fa9f406acacdf5eab [0,2,0,0,0,0|1,0,0]=3 3917 B13R0.305 CCCCC(CO)NCC(=O)COC 32508ec78dd38e40b9452a7bdbd0db7e [0,2,0,0,0,0|2,0,0]=4 3918 B13R0.305 CCCCC(CO)NCC(=O)NCO b477299aa0c6ae624752187fe650dfa7 [0,2,0,0,0,0|2,0,0]=4 3919 B13R0.305 CCCCC(CO)NCC(=O)OCC 740d2400df7f389491d63d0083ea3bc3 [0,2,0,0,0,0|2,0,0]=4 3920 B13R0.305 CCCCN(CC)CCC(=O)NC#N f2cb6e923eeb15b74f28cc55d7fe9731 [0,2,0,0,0,0|2,0,0]=4 3921 B13R0.305 CCCCN(CC)CCC(=O)NCC b9eac2d2666314230a4e0a473c4e55d9 [0,2,0,0,0,0|2,0,0]=4 3922 B13R0.305 CCCCN(CC)CCC(=O)OCC e2d5bfd53f8d6604f10ff5a7fffe4365 [0,2,0,0,0,0|1,0,0]=3 3923 B13R0.305 CCCCN(CC)COC(=O)OCC 2a3edcb6135c06742d87c3f17b78ac85 [0,2,0,0,0,0|2,0,0]=4 3924 B13R0.305 CCCCN(CF)CCC(=O)OCC f77ed5741fc314fef6621c268d70ed3f [0,2,0,0,0,0|2,0,0]=4 3925 B13R0.305 CCCCN(CO)CCC(=O)OCC 6db412b9b414834db543cd8f419422ac [0,2,0,0,0,0|2,0,0]=4 3926 B13R0.305 CCCC[C@@H](CO)NCC(=O)COC af71b0d1b07bb374b73b7330ea55a1cd [0,2,0,0,0,0|2,0,0]=4 3927 B13R0.305 CCCC[C@@H](CO)NCC(=O)NCO 20f7ee3cf3f33be736baa43f1ae66655 [0,2,0,0,0,0|2,0,0]=4 3928 B13R0.305 CCCC[C@@H](CO)NCC(=O)OCC a697fa403b5adc82f002e4f60519c061 [0,2,0,0,0,0|2,0,0]=4 3929 B13R0.305 CCCC[C@H](CO)NCC(=O)COC 566ffde8c4dea07198f00ac1838759e3 [0,2,0,0,0,0|2,0,0]=4 3930 B13R0.305 CCCC[C@H](CO)NCC(=O)NCO 7ba9ef73be00a895906c2ffac93e90e8 [0,2,0,0,0,0|2,0,0]=4 3931 B13R0.305 CCCC[C@H](CO)NCC(=O)OCC 0e88c2f9c74a0a482745fef42018bc87 [0,2,0,0,0,0|2,0,0]=4 3932 B13R0.305 CCOC(=O)CCN(CC)CCCF 672c5f96b8615165fc0b0a8507a73dab [0,2,0,0,0,0|2,0,0]=4 3933 B13R0.305 CCOC(=O)CCN(CC)CCCO b173744e1ace2b97db74a77fd9444f83 [0,2,0,0,0,0|2,0,0]=4 3934 B13R0.305 CCOC(=O)CCN(CC)CCOC cdea652325db08e4d49c56bc0c43e2f3 [0,2,0,0,0,0|2,0,0]=4 3935 B13R0.305 CCOC(=O)CCN(CC)CCSC 75a437203174d25c9bea2d95d962f7a4 [0,2,0,0,0,0|2,0,0]=4 3936 B13R0.1197 C=C(CN(CC)CCCC)C(=O)OC 705547f6cb0fda50a3a5198252744f3d [0,2,0,0,0,0|1,0,1]=4 3937 B13R0.1197 CCCCC(CC)NC(C)C(=O)NC c488ae6ff00dfdf859fbb7b0d90a1471 [0,2,0,0,0,0|2,0,0]=4 3938 B13R0.1197 CCCCC(CC)OC(C)C(=O)CC d22b189f3f9f9e031c9d3be92c0cbdf2 [0,2,0,0,0,0|2,0,0]=4 3939 B13R0.1197 CCCCC(CC)OC(C)C(=O)NC a6b507884bb91a0d2b3d3787de08ecb9 [0,2,0,0,0,0|2,0,0]=4 3940 B13R0.1197 CCCCC(CC)OC(C)C(=O)OC 3e9cb201d35e715a0a9a4811e78928d9 [0,2,0,0,0,0|1,0,0]=3 3941 B13R0.1197 CCCCC(CC)OC(F)C(=O)NC a102ad42c4d7efca2b6eb9758450a636 [0,2,0,0,0,0|2,0,0]=4 3942 B13R0.1197 CCCCC(CC)O[C@@H](C)C(=O)OC 0531fd7af94bc7a383a4608a66390e9f [0,2,0,0,0,0|1,0,0]=3 3943 B13R0.1197 CCCCC(CC)O[C@H](C)C(=O)OC 8f95388faffaf92d16105cadaa7a96da [0,2,0,0,0,0|1,0,0]=3 3944 B13R0.1197 CCCCC(CO)NC(C)C(=O)OC 4012f65624c59429232e7797b5b0eea7 [0,2,0,0,0,0|2,0,0]=4 3945 B13R0.1197 CCCCC(CO)N[C@@H](C)C(=O)OC e5b54910205efb0b40d088ee66edc695 [0,2,0,0,0,0|2,0,0]=4 3946 B13R0.1197 CCCCC(CO)N[C@H](C)C(=O)OC 654f3faa24c10796e0dd3580b77a63d5 [0,2,0,0,0,0|2,0,0]=4 3947 B13R0.1197 CCCCN(CC)CC(=O)C(=O)OC 2914d4edb6eaa8ef0e67c4c907eafb2a [0,2,0,0,0,0|1,0,1]=4 3948 B13R0.1197 CCCCN(CC)CC(C)C(=O)OC a8d0445f587736b120281b534e4e790c [0,2,0,0,0,0|1,0,0]=3 3949 B13R0.1197 CCCCN(CC)CC(O)C(=O)OC ecabf1c46e61ae909f46941f150bfc3a [0,2,0,0,0,0|1,0,0]=3 3950 B13R0.1197 CCCCN(CC)C[C@@H](C)C(=O)OC e1f3b14a5d696a4e7a7ba400bb0f1f7d [0,2,0,0,0,0|1,0,0]=3 3951 B13R0.1197 CCCCN(CC)C[C@H](C)C(=O)OC d7ad165fa5dac918740cbcceaa5348b0 [0,2,0,0,0,0|1,0,0]=3 3952 B13R0.1197 CCCC[C@@H](CO)NC(C)C(=O)OC 2970e7a80c02c78e91fb099d206af852 [0,2,0,0,0,0|2,0,0]=4 3953 B13R0.1197 CCCC[C@@H](CO)N[C@@H](C)C(=O)OC 9f8a1d0689f5c08f719e081ee1f00ba2 [0,2,0,0,0,0|2,0,0]=4 3954 B13R0.1197 CCCC[C@@H](CO)N[C@H](C)C(=O)OC b5c422c730c424478204fa8151a7ee63 [0,2,0,0,0,0|2,0,0]=4 3955 B13R0.1197 CCCC[C@H](CO)NC(C)C(=O)OC c257d99b20b720c378b297a0197504e5 [0,2,0,0,0,0|2,0,0]=4 3956 B13R0.1197 CCCC[C@H](CO)N[C@@H](C)C(=O)OC b24bbb6ecd9f112f75b4b9b6994269c9 [0,2,0,0,0,0|2,0,0]=4 3957 B13R0.1197 CCCC[C@H](CO)N[C@H](C)C(=O)OC d58ad63edb2c94bac19cbf61c2d8e68a [0,2,0,0,0,0|2,0,0]=4 3958 B13R0.1197 CCN(CCCO)CC(C)C(=O)OC 6f96b7c00a645021a77fddea7f816ed6 [0,2,0,0,0,0|2,0,0]=4 3959 B13R0.1197 CCN(CCCO)CC(O)C(=O)OC 0b7e91a2421df777972c772e571d8add [0,2,0,0,0,0|2,0,0]=4 3960 B13R0.1197 CCN(CCCO)C[C@@H](C)C(=O)OC cecd4c9c458c4f5c1070897feb95023b [0,2,0,0,0,0|2,0,0]=4 3961 B13R0.1197 CCN(CCCO)C[C@H](C)C(=O)OC 5296dc4e3db33938c892e8abd1904bbe [0,2,0,0,0,0|2,0,0]=4 3962 B13R0.1197 CCN(CCOC)CC(C)C(=O)OC cc76cc891f709f6b1d9e7d12d8596651 [0,2,0,0,0,0|2,0,0]=4 3963 B13R0.1197 CCN(CCOC)C[C@@H](C)C(=O)OC 8df5a1102a8fd97caa2578ab279b5a7d [0,2,0,0,0,0|2,0,0]=4 3964 B13R0.1197 CCN(CCOC)C[C@H](C)C(=O)OC de1219a861bc3f4c393f83db2509b485 [0,2,0,0,0,0|2,0,0]=4 3965 B13R0.298 C#CC(OC(CC)CCCC)C(=O)O ef6e5035d518bb05adf9574fbf42e671 [0,2,0,0,0,0|1,0,0]=3 3966 B13R0.298 C/C=C(\OC(CC)CCCC)/C(=O)O 45a34956048b3f02f519d91ce1c960cc [0,2,0,0,0,0|1,0,1]=4 3967 B13R0.298 C=CC(NC(CC)CCCC)C(=O)O 019b3c0ddfca18890b3975325f89f7f8 [0,2,0,0,0,0|1,0,0]=3 3968 B13R0.298 C=CC(NC(CO)CCCC)C(=O)O 60825ddc02451cd1cd0e4281447fa2ab [0,2,0,0,0,0|2,0,0]=4 3969 B13R0.298 C=C[C@H](NC(CC)CCCC)C(=O)O 085458c864ee1b1afabf3b28d9bd721a [0,2,0,0,0,0|1,0,0]=3 3970 B13R0.298 C=C[C@H](NC(CO)CCCC)C(=O)O ee64f9995e3e68e04224a0982fbce2ae [0,2,0,0,0,0|2,0,0]=4 3971 B13R0.298 CCCCC(CC)NC(C#N)C(=O)N d18df9544a85e903b1b133ebb71c8e49 [0,2,0,0,0,0|2,0,0]=4 3972 B13R0.298 CCCCC(CC)NC(CC)C(=O)N dcf6b1a7555a586af0959ac83745bc8e [0,2,0,0,0,0|2,0,0]=4 3973 B13R0.298 CCCCC(CC)NC(CCl)C(=O)O 5feb86ada9f927e0f9bfa80cd8e76152 [0,2,0,0,0,0|1,0,0]=3 3974 B13R0.298 CCCCC(CC)NC(CO)C(=O)N b8e2b3b8a393ca359a33a4d3006e1f97 [0,2,0,0,0,0|2,0,0]=4 3975 B13R0.298 CCCCC(CC)N[C@@H](CC)C(=O)N 1583ac362c9d3bf1ee725cfabaf8cdf5 [0,2,0,0,0,0|2,0,0]=4 3976 B13R0.298 CCCCC(CC)N[C@@H](CCl)C(=O)O fc37f4d6e2b7b5d60b5b29a795d8bc40 [0,2,0,0,0,0|1,0,0]=3 3977 B13R0.298 CCCCC(CC)N[C@@H](CO)C(=O)N 66caa09bf8c99ed271d0d1c276643435 [0,2,0,0,0,0|2,0,0]=4 3978 B13R0.298 CCCCC(CC)N[C@H](CCl)C(=O)O b1fdc1557c6d4ce58f6984d97dff83cd [0,2,0,0,0,0|1,0,0]=3 3979 B13R0.298 CCCCC(CC)OC(CC)C(=O)N b543d35bef117a8ec884ca6fd472cab0 [0,2,0,0,0,0|2,0,0]=4 3980 B13R0.298 CCCCC(CC)OC(CC)C(=O)O 0be379d516646a2665c6bbf8ee7fd2ac [0,2,0,0,0,0|1,0,0]=3 3981 B13R0.298 CCCCC(CC)OC(CF)C(=O)O b801b9eb23bffe6f176d980ebc66d720 [0,2,0,0,0,0|1,0,0]=3 3982 B13R0.298 CCCCC(CC)O[C@@H](CC)C(=O)O 83518af74e7de7864f6b234665063212 [0,2,0,0,0,0|1,0,0]=3 3983 B13R0.298 CCCCC(CC)O[C@H](CC)C(=O)O 5a4e4a411e81aec7d8f1fa5600000bb0 [0,2,0,0,0,0|1,0,0]=3 3984 B13R0.298 CCCCC(CC)O[C@H](CF)C(=O)O a8a3cde1659178c330ec8ad0dcf4e5d1 [0,2,0,0,0,0|1,0,0]=3 3985 B13R0.298 CCCCC(CO)NC(CC)C(=O)O 410159f870dffe155b220939b59f9814 [0,2,0,0,0,0|2,0,0]=4 3986 B13R0.298 CCCCC(CO)NC(CF)C(=O)O 98c73759fc5f6f9ec87dbc0a28389f7e [0,2,0,0,0,0|2,0,0]=4 3987 B13R0.298 CCCCC(CO)NC(CO)C(=O)O 154ad817ec373fc006e7642cbe1d6b55 [0,2,0,0,0,0|2,0,0]=4 3988 B13R0.298 CCCCC(CO)N[C@@H](CC)C(=O)O 3608e999c21d45769cbdf9365c06eaa5 [0,2,0,0,0,0|2,0,0]=4 3989 B13R0.298 CCCCC(CO)N[C@@H](CO)C(=O)O a6426bcb1383eb613947846664eca38b [0,2,0,0,0,0|2,0,0]=4 3990 B13R0.298 CCCCC(CO)N[C@H](CC)C(=O)O dad92add851eccbe1fef47e687d9d95d [0,2,0,0,0,0|2,0,0]=4 3991 B13R0.298 CCCCC(CO)N[C@H](CO)C(=O)O c411ceec8ab34d54cc36d40736de869d [0,2,0,0,0,0|2,0,0]=4 3992 B13R0.298 CCCC[C@@H](CO)NC(CC)C(=O)O ef69ddca32e4ef522518858b81ccef2b [0,2,0,0,0,0|2,0,0]=4 3993 B13R0.298 CCCC[C@@H](CO)NC(CF)C(=O)O e7684a8c9e119d2cd1b3dd51d63865a7 [0,2,0,0,0,0|2,0,0]=4 3994 B13R0.298 CCCC[C@@H](CO)NC(CO)C(=O)O 91d4b760c3bf21c900ccf090aa83f5c1 [0,2,0,0,0,0|2,0,0]=4 3995 B13R0.298 CCCC[C@@H](CO)N[C@@H](CC)C(=O)O eb1c5560a33eff9f313e793d8984473d [0,2,0,0,0,0|2,0,0]=4 3996 B13R0.298 CCCC[C@@H](CO)N[C@@H](CO)C(=O)O 9208e5bbf431e7dba7f5e2c8464c1d24 [0,2,0,0,0,0|2,0,0]=4 3997 B13R0.298 CCCC[C@@H](CO)N[C@H](CC)C(=O)O 633b712d69624aca288ec559831f224e [0,2,0,0,0,0|2,0,0]=4 3998 B13R0.298 CCCC[C@@H](CO)N[C@H](CO)C(=O)O f8bf9f2eae752d9806f158f40e3fd741 [0,2,0,0,0,0|2,0,0]=4 3999 B13R0.298 CCCC[C@H](CO)NC(CC)C(=O)O 0093c8a9b9f8f5bb6e70e023f94af9f0 [0,2,0,0,0,0|2,0,0]=4 4000 B13R0.298 CCCC[C@H](CO)NC(CF)C(=O)O 1d0a84467d0b4109950d39296a61c4d3 [0,2,0,0,0,0|2,0,0]=4 4001 B13R0.298 CCCC[C@H](CO)NC(CO)C(=O)O 7da1733c9b2fd9b0e04f9ad6dd3ee951 [0,2,0,0,0,0|2,0,0]=4 4002 B13R0.298 CCCC[C@H](CO)N[C@@H](CC)C(=O)O 01aba0312aff134530067e9fe6ce5418 [0,2,0,0,0,0|2,0,0]=4 4003 B13R0.298 CCCC[C@H](CO)N[C@@H](CO)C(=O)O 337023ac81386bb6006f455572d29d98 [0,2,0,0,0,0|2,0,0]=4 4004 B13R0.298 CCCC[C@H](CO)N[C@H](CC)C(=O)O 73d85bf428235fee3f30e6030a74ce19 [0,2,0,0,0,0|2,0,0]=4 4005 B13R0.298 CCCC[C@H](CO)N[C@H](CO)C(=O)O 454e7918799f1f1b13d14faa7683ffa7 [0,2,0,0,0,0|2,0,0]=4 4006 B13R0.659 CCCCC(CC)NC(C)(C)C(=O)C 08831e1286a5feebe46af9916759dff9 [0,2,0,0,0,0|2,0,0]=4 4007 B13R0.659 CCCCC(CC)NC(C)(C)C(=O)N 5d163f47e966fe461cbf843757d8ac1b [0,2,0,0,0,0|2,0,0]=4 4008 B13R0.659 CCCCN(CC)CC(C)(C)C(=O)F a3910417955731c83d3aa71b1f652147 [0,2,0,0,0,0|2,0,0]=4 4009 B13R0.659 CCCCN(CC)CC(C)(C)C(=O)N 709df16656123376efd7ffc5ee81d15b [0,2,0,0,0,0|2,0,0]=4 4010 B13R0.659 CCCCN(CC)CC(C)(C)C(=O)O 0db9d0c93263c31071da55468d74afe8 [0,2,0,0,0,0|1,0,0]=3 4011 B13R0.659 CCN(CCCO)CC(C)(C)C(=O)O a627509d9a0664205ae997ec6d6954d7 [0,2,0,0,0,0|2,0,0]=4 4012 B13R0.659 CCN(CCCO)CC(C)(O)C(=O)O 48d038395289ee2f36909480557afc29 [0,2,0,0,0,0|2,0,0]=4 4013 B13R0.659 CCN(CCCO)C[C@@](C)(O)C(=O)O 4fef93eb4c8c1a2ae632162e7cf63792 [0,2,0,0,0,0|2,0,0]=4 4014 B13R0.659 CCN(CCCO)C[C@](C)(O)C(=O)O c4b12e0eb8261801e749e5073f881db8 [0,2,0,0,0,0|2,0,0]=4 4015 B13R0.1359 CCN(CCC(=O)N)CCC(C)(C)C 41f506ea9c0483d822e9aa6fed843fd9 [0,2,0,0,0,0|2,0,0]=4 4016 B13R0.1359 CCN(CCC(=O)N)CCC(C)(C)O c2fec8fbb5027574c6de8a3935c21d09 [0,2,0,0,0,0|2,0,0]=4 4017 B13R0.1359 CCN(CCC(=O)N)CCC(C)(F)F d0f59edf81a1d251b8cbc588a8988bfd [0,2,0,0,0,0|2,0,0]=4 4018 B11R1.1 C=C1CCC(CC1)COCC f3b18a04c36b6bb84ee99e6141a7586f [1,0,0,1,0,0|2,0,0]=4 4019 B11R1.1 C=CCCN1CCC(CC1)C 14530b270e39ffdd53c9d869205538d5 [1,0,0,1,0,0|2,0,0]=4 4020 B11R1.1 C=CCNC1CCC(CC1)C 5ccc9cd77b86908b19eb61208954f840 [1,0,0,1,0,0|2,0,0]=4 4021 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C bdedd3ed61b7a922a0f4239d04dc5509 [1,0,0,1,0,0|2,0,0]=4 4022 B11R1.1 C=CCN[C@H]1CC[C@H](CC1)C 32f2e547e259777a312e2813fc5f9615 [1,0,0,1,0,0|2,0,0]=4 4023 B11R1.1 C=CCOC1CCC(CC1)C e10acc49d9ce8691b91f3b245d9299a3 [1,0,0,1,0,0|2,0,0]=4 4024 B11R1.1 C=CCO[C@H]1CC[C@@H](CC1)C 1d94e25dfadb8b36500a011d724360e6 [1,0,0,1,0,0|2,0,0]=4 4025 B11R1.1 C=CCO[C@H]1CC[C@H](CC1)C 30dd112a7b9d5760f17a63dc741ed0fa [1,0,0,1,0,0|2,0,0]=4 4026 B11R1.1 CC1CCC(CC1)CNC=O 503909cbd8c013b6a46a0f6c42bea9ee [1,0,0,1,0,0|1,0,0]=3 4027 B11R1.1 CC1CCC(CC1)CNCO afd575537fa76b4c6a88320386d4b29e [1,0,0,1,0,0|1,0,1]=4 4028 B11R1.1 CC1CCC(CC1)NCC=O 563781267b1c5876db8c186cc1166349 [1,0,0,1,0,0|1,0,0]=3 4029 B11R1.1 CC1CCC(CC1)NCCO 824d2cc46477403ef3525debe4a1e342 [1,0,0,1,0,0|1,0,1]=4 4030 B11R1.1 CC1CCC(CC1)OCC=O e44873f4c1043ecb3c6f132001b29734 [1,0,0,1,0,0|1,0,0]=3 4031 B11R1.1 CC1CCN(CC1)C/C=C\O 1e34c4b8adefb86ba0360d99da00b4aa [1,0,0,1,0,0|1,0,1]=4 4032 B11R1.1 CC1CCN(CC1)CCC=O 74178a1ee1490f0ff0130d95dfdd79c3 [1,0,0,1,0,0|1,0,0]=3 4033 B11R1.1 CC1CCN(CC1)CCCO 948c033d7c906af4d896794e660fb843 [1,0,0,1,0,0|1,0,1]=4 4034 B11R1.1 CCCCN1CCC(CC1)O d6038dcab51cf70ea24655cdf34f7d7e [1,0,0,1,0,0|1,0,1]=4 4035 B11R1.1 CCCNC1CCC(=O)NC1 01bca8b88e0ca1be03a17004b6a757eb [1,0,0,1,0,0|2,0,0]=4 4036 B11R1.1 CCCNC1CCC(CC1)O e698aee39f806da5d0374eb34150b8ea [1,0,0,1,0,0|1,0,1]=4 4037 B11R1.1 CCCN[C@@H]1CCC(=O)NC1 f6da54c348c4f94d3f0c0f59910a83e9 [1,0,0,1,0,0|2,0,0]=4 4038 B11R1.1 CCCN[C@H]1CCC(=O)NC1 102971ed7a08e614b31cecd45e20f679 [1,0,0,1,0,0|2,0,0]=4 4039 B11R1.1 CCCN[C@H]1CC[C@@H](CC1)O 65efa549763897938a22579bca50407e [1,0,0,1,0,0|1,0,1]=4 4040 B11R1.1 CCCN[C@H]1CC[C@H](CC1)O 805c86d195a250bd19c5044cda6cf890 [1,0,0,1,0,0|1,0,1]=4 4041 B11R1.1 CCCOC1CCC(=O)CC1 bd2b467d79e74784675ac0fed3b52410 [1,0,0,1,0,0|1,0,0]=3 4042 B11R1.1 CCCOC1CCC(=O)NC1 2c5714f2e0f298f2039432cc852f7bea [1,0,0,1,0,0|2,0,0]=4 4043 B11R1.1 CCCOC1CCC(=O)OC1 14f68677ebd93dd79e6aff031f73ae29 [1,0,0,1,0,0|2,0,0]=4 4044 B11R1.1 CCCO[C@@H]1CCC(=O)NC1 a1b5fbd9589b341d2f02f45d48cf9b8b [1,0,0,1,0,0|2,0,0]=4 4045 B11R1.1 CCCO[C@H]1CCC(=O)NC1 d60f46dfa0faf1fef277b47dbe8465b4 [1,0,0,1,0,0|2,0,0]=4 4046 B11R1.1 CCNCC1CCC(=O)NC1 fb66b35d54ea28109e3418814f1a27c8 [1,0,0,1,0,0|2,0,0]=4 4047 B11R1.1 CCNCC1CCC(CC1)O 3595031993098976c3a6e89b97c92bbf [1,0,0,1,0,0|1,0,1]=4 4048 B11R1.1 CCNC[C@H]1CC[C@@H](CC1)O e5712e5199b11333eeb78758c1d17d41 [1,0,0,1,0,0|1,0,1]=4 4049 B11R1.1 CCOCC1CCC(=O)CC1 173502265d717c3ab544f2cf467f9ed3 [1,0,0,1,0,0|1,0,0]=3 4050 B11R1.1 CCOCC1CCC(=O)NC1 113ad3ff7f74b2a9a0b35565fd73cc87 [1,0,0,1,0,0|2,0,0]=4 4051 B11R1.1 CN1CCC(CC1)CNC=O d58822b8b4567d61ba6a3c86fb1587ad [1,0,0,1,0,0|2,0,0]=4 4052 B11R1.1 CN1CCC(CC1)NCC=O 68bcd86875bcd6589d1c68c2fec77b73 [1,0,0,1,0,0|2,0,0]=4 4053 B11R1.1 CN1CCC(CC1)OCC=O 3ec0c0f5feaf51ae955f7da46b4e5866 [1,0,0,1,0,0|2,0,0]=4 4054 B11R1.1 CN1CCN(CC1)CCC=O 945df0d7c8d59581e1aaaee60fc83d21 [1,0,0,1,0,0|2,0,0]=4 4055 B11R1.1 COCOC1CCC(=O)CC1 fea8160e4410982ee670f1bff435143f [1,0,0,1,0,0|2,0,0]=4 4056 B11R1.1 CSCOC1CCC(=O)CC1 7e63585c350d6c74d6865a68487a4cfb [1,0,0,1,0,0|2,0,0]=4 4057 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 695b49a444409c7d2538a45b3dd58134 [1,0,0,1,0,0|1,0,0]=3 4058 B11R1.1 C[C@H]1CC[C@@H](CC1)NCCO df20a20e79639c38090cb985919f8024 [1,0,0,1,0,0|1,0,1]=4 4059 B11R1.1 C[C@H]1CC[C@@H](CC1)OCC=O da57f1f46be41e0505bd071f94010653 [1,0,0,1,0,0|1,0,0]=3 4060 B11R1.1 C[C@H]1CC[C@H](CC1)NCC=O a22b3d8233fa52031c106d19282beb22 [1,0,0,1,0,0|1,0,0]=3 4061 B11R1.1 C[C@H]1CC[C@H](CC1)NCCO 3be3d11f822f7a56187975a1465bf93b [1,0,0,1,0,0|1,0,1]=4 4062 B11R1.1 C[C@H]1CC[C@H](CC1)OCC=O 75c958c0a563ac84ed12efbb91fb7007 [1,0,0,1,0,0|1,0,0]=3 4063 B11R1.1 O=C1CCC(CC1)COCF 64c2bf62a94608989bd9736e4119d74d [1,0,0,1,0,0|2,0,0]=4 4064 B11R1.1 O=C1CCC(CC1)NCCI 7366c08f35ac2849d3e0dbd066dea5bb [1,0,0,1,0,0|2,0,0]=4 4065 B11R1.1 O=C1CCC(CC1)NCCO 09b1daa64cc1523074ce66ce577e58f7 [1,0,0,1,0,0|2,0,0]=4 4066 B11R1.1 O=C1CCC(CC1)NCCS d694b2f8006512bbb8f23957d93b9495 [1,0,0,1,0,0|2,0,0]=4 4067 B11R1.1 O=C1CCC(CC1)OCCF e50737a0ff4d6fe15d99594f5f7e9dfb [1,0,0,1,0,0|2,0,0]=4 4068 B11R1.1 O=C1CCC(CC1)OCCS 4a84df1baa5611a6684da63acd5a0f89 [1,0,0,1,0,0|2,0,0]=4 4069 B11R1.1 O=CCCN1CCC(CC1)Cl 726831b4483e548d01180b3044e5bf0e [1,0,0,1,0,0|2,0,0]=4 4070 B11R1.1 O=CCCN1CCC(CC1)F b2a11cb371e3ffb7fe45fada7c46f28a [1,0,0,1,0,0|2,0,0]=4 4071 B11R1.1 O=CCCN1CCC(CC1)I a4970402566e9e3fe5a7cfb26fb7378c [1,0,0,1,0,0|2,0,0]=4 4072 B11R1.1 O=CCCN1CCC(CC1)O 9203fb3fb04969798a37449bea16c30e [1,0,0,1,0,0|2,0,0]=4 4073 B11R1.1 O=CCNC1CCC(CC1)Cl aea6b7bbc5e364e2758efc331efc4172 [1,0,0,1,0,0|2,0,0]=4 4074 B11R1.1 O=CCNC1CCC(CC1)O 52451bb2db840ca9893a28591d28b0d9 [1,0,0,1,0,0|2,0,0]=4 4075 B11R1.1 O=CCN[C@H]1CC[C@@H](CC1)Cl 0ffe4c61b919a6a0ef3ebc2487cea13d [1,0,0,1,0,0|2,0,0]=4 4076 B11R1.1 O=CCN[C@H]1CC[C@@H](CC1)O 7fa00c144a66949160d6b0dafe345087 [1,0,0,1,0,0|2,0,0]=4 4077 B11R1.1 O=CCN[C@H]1CC[C@H](CC1)Cl 1be5375c996de6cbce5a657c29fd26a9 [1,0,0,1,0,0|2,0,0]=4 4078 B11R1.1 O=CCN[C@H]1CC[C@H](CC1)O 5650465dd6dcd1a4733fcbe2fa5d2541 [1,0,0,1,0,0|2,0,0]=4 4079 B11R1.1 O=CCOC1CCC(CC1)F 8a290cc2d3861b6f090d98ff22636375 [1,0,0,1,0,0|2,0,0]=4 4080 B11R1.1 O=CNCC1CCC(CC1)Cl 57bd5bf5f90e6edd7c947402853a288f [1,0,0,1,0,0|2,0,0]=4 4081 B11R1.1 O=CNCC1CCC(CC1)O 9263642340770910b55fcf12f680e979 [1,0,0,1,0,0|2,0,0]=4 4082 B11R1.1 O=CNC[C@H]1CC[C@@H](CC1)F 1dfd1a094dea6c756949fe033879c98b [1,0,0,1,0,0|2,0,0]=4 4083 B11R1.1 O=CNC[C@H]1CC[C@@H](CC1)O 8cbda474beefcee12cd39711c505a15f [1,0,0,1,0,0|2,0,0]=4 4084 B11R1.1 O=CNC[C@H]1CC[C@H](CC1)F 6bd7f287e6553b4f72dca8fb991714f0 [1,0,0,1,0,0|2,0,0]=4 4085 B11R1.17 C=CCCN1CCCCC1C 810e767470a1bc2de8fb8e7f7a2ca177 [1,0,0,1,0,0|2,0,0]=4 4086 B11R1.17 C=CCCN1CCCC[C@@H]1C 5fe3077b39f3b7210ca2c2eb3de899a4 [1,0,0,1,0,0|2,0,0]=4 4087 B11R1.17 C=CCCN1CCCC[C@H]1C e070f4d6729771ab98a4b7197c08f5bc [1,0,0,1,0,0|2,0,0]=4 4088 B11R1.17 C=CCNC1CCCCC1C 0f8e1cb32627df43b10feebc2d437183 [1,0,0,1,0,0|2,0,0]=4 4089 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C 5a2a4402da25c0ab68bba3cde500961d [1,0,0,1,0,0|2,0,0]=4 4090 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1C 4a6db63969f1730e35d7ac55b1690c81 [1,0,0,1,0,0|2,0,0]=4 4091 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1C 1c5801197116ba8d45b5c1241369d490 [1,0,0,1,0,0|2,0,0]=4 4092 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C 01ef9d6efd289cbc744aeea855c543e1 [1,0,0,1,0,0|2,0,0]=4 4093 B11R1.17 C=CCOC1CCCCC1C 499585986b8d70f4b8d53e77c99298e1 [1,0,0,1,0,0|2,0,0]=4 4094 B11R1.17 C=CCO[C@@H]1CCCC[C@@H]1C 4264fb512d1b0adf711f3964d5f98030 [1,0,0,1,0,0|2,0,0]=4 4095 B11R1.17 C=CCO[C@H]1CCCC[C@@H]1C 66511d4755f17c1150b367e93f6ee423 [1,0,0,1,0,0|2,0,0]=4 4096 B11R1.17 C=CCO[C@H]1CCCC[C@H]1C 97b8607e579c0b86bed86d48c1d4973a [1,0,0,1,0,0|2,0,0]=4 4097 B11R1.17 CC1CCCCC1CNC=O 258dd7a96deba7febdb8348ed4089e86 [1,0,0,1,0,0|1,0,0]=3 4098 B11R1.17 CC1CCCCC1CNCO 69775eb9e35ab19ef3c7f4c19248721e [1,0,0,1,0,0|1,0,1]=4 4099 B11R1.17 CC1CCCCC1NCC=O 822891e5e136c9289f9711cfadb5d66b [1,0,0,1,0,0|1,0,0]=3 4100 B11R1.17 CC1CCCCC1NCCO 52c6ad311f6fad2268e1eda79c81b36a [1,0,0,1,0,0|1,0,1]=4 4101 B11R1.17 CC1CCCCC1OCC=O 7bd3b929eded7b7b89c9febdee55a5c2 [1,0,0,1,0,0|1,0,0]=3 4102 B11R1.17 CC1CCCCN1C/C=C\O 11ab161f1a6f3f9a776406ca27ecce57 [1,0,0,1,0,0|1,0,1]=4 4103 B11R1.17 CC1CCCCN1CCC=O a9b3f62835c65e514d20883a1d79e3a5 [1,0,0,1,0,0|1,0,0]=3 4104 B11R1.17 CC1CCCCN1CCCO a0173451728ed2077ecde1c84d76b55a [1,0,0,1,0,0|1,0,1]=4 4105 B11R1.17 CC1COCCC1NCC=O ed24d9af1ff56d599184a63cb4e59b59 [1,0,0,1,0,0|2,0,0]=4 4106 B11R1.17 CC1COCCC1OCC=O f6081e9b63143383237f6488ee0d71a0 [1,0,0,1,0,0|2,0,0]=4 4107 B11R1.17 CC1COCCN1CCC=O fb40ab61e2aeee45f9d26faa9b59bd31 [1,0,0,1,0,0|2,0,0]=4 4108 B11R1.17 CN1CCCCC1CNC=O 1ff54f003791a6b6f4cbc5e12734fa24 [1,0,0,1,0,0|2,0,0]=4 4109 B11R1.17 C[C@@H]1CCCCN1C/C=C\O bb308b7d5c013737f5119d8892c6c70e [1,0,0,1,0,0|1,0,1]=4 4110 B11R1.17 C[C@@H]1CCCCN1CCC=O 15385e821b5f4feb5b8d61f6bf0c2a42 [1,0,0,1,0,0|1,0,0]=3 4111 B11R1.17 C[C@@H]1CCCCN1CCCO 6fd84a4e3b169ec43015356a9027c3bc [1,0,0,1,0,0|1,0,1]=4 4112 B11R1.17 C[C@@H]1CCCC[C@@H]1NCC=O 5ccf3c74006165bda80577a764d074e4 [1,0,0,1,0,0|1,0,0]=3 4113 B11R1.17 C[C@@H]1CCCC[C@@H]1NCCO 87fc70f547ddc2db47020bf411604945 [1,0,0,1,0,0|1,0,1]=4 4114 B11R1.17 C[C@@H]1CCCC[C@@H]1OCC=O d1ac85bc7593435da4239136c56deef0 [1,0,0,1,0,0|1,0,0]=3 4115 B11R1.17 C[C@@H]1CCCC[C@H]1NCC=O f70fafce3f9483650deb6f77db1dcfdc [1,0,0,1,0,0|1,0,0]=3 4116 B11R1.17 C[C@@H]1CCCC[C@H]1NCCO b4b92dc556e26bd3055d19e7820d8afe [1,0,0,1,0,0|1,0,1]=4 4117 B11R1.17 C[C@@H]1COCCN1CCC=O f5152cd6e372460bd3468b0ef8194a97 [1,0,0,1,0,0|2,0,0]=4 4118 B11R1.17 C[C@@H]1COCC[C@@H]1NCC=O 1865100cbf3991f0eddc1c91085f1048 [1,0,0,1,0,0|2,0,0]=4 4119 B11R1.17 C[C@H]1CCCCN1C/C=C\O bfcc0e241126206ceb0837fc0e87a22c [1,0,0,1,0,0|1,0,1]=4 4120 B11R1.17 C[C@H]1CCCCN1CCC=O d1b1585713c65dadb2c8cfd5d7289b26 [1,0,0,1,0,0|1,0,0]=3 4121 B11R1.17 C[C@H]1CCCCN1CCCO 13ed03d551929cc9996e311ec7b70ce5 [1,0,0,1,0,0|1,0,1]=4 4122 B11R1.17 C[C@H]1CCCC[C@@H]1NCC=O 2297d6775451edf05514321d3fbe377c [1,0,0,1,0,0|1,0,0]=3 4123 B11R1.17 C[C@H]1CCCC[C@@H]1NCCO 5b3deeb81fb04710cff51b19df9244a1 [1,0,0,1,0,0|1,0,1]=4 4124 B11R1.17 C[C@H]1CCCC[C@@H]1OCC=O 302cd3a8de23eda591da0b5f068e9827 [1,0,0,1,0,0|1,0,0]=3 4125 B11R1.17 C[C@H]1CCCC[C@H]1NCC=O 9cc410cce0514e4359d7296e58cd83d6 [1,0,0,1,0,0|1,0,0]=3 4126 B11R1.17 C[C@H]1CCCC[C@H]1NCCO e07252d90a0c78830feaac80840cb6e3 [1,0,0,1,0,0|1,0,1]=4 4127 B11R1.17 C[C@H]1CCCC[C@H]1OCC=O 618550352360bab8ec27f338b1353a30 [1,0,0,1,0,0|1,0,0]=3 4128 B11R1.17 C[C@H]1COCCN1CCC=O c01463f5c30a2a03bcaff8a8a44e7e57 [1,0,0,1,0,0|2,0,0]=4 4129 B11R1.17 C[C@H]1COCC[C@H]1NCC=O 7ed140f571a1a877852089ee6642b244 [1,0,0,1,0,0|2,0,0]=4 4130 B11R1.17 O=CCNC1CCCCC1O ccf03e475b42dc4fe89b7584e87e45b7 [1,0,0,1,0,0|2,0,0]=4 4131 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1O 1b31fa31ebde8fc8b834456456cc27f4 [1,0,0,1,0,0|2,0,0]=4 4132 B11R1.17 O=CCN[C@H]1CCCC[C@@H]1O f7e1b7228d7aa13c14e004e83b31b729 [1,0,0,1,0,0|2,0,0]=4 4133 B11R1.17 O=CCN[C@H]1CCCC[C@H]1O b185ae73559d2735ee8f823fd465ae06 [1,0,0,1,0,0|2,0,0]=4 4134 B11R1.17 O=CCOC1CCCCC1F 43f570b02cbac0a2c7872aaa8027cf7e [1,0,0,1,0,0|2,0,0]=4 4135 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 387cb05df7314dd3c1a9efe9af5937e4 [1,0,0,1,0,0|2,0,0]=4 4136 B11R1.17 O=CNCC1CCCCC1O 438da8e64898a3094d65ec7aa4e7597b [1,0,0,1,0,0|2,0,0]=4 4137 B11R1.41 C=CCN1CCCCC1CC 02c8c62d6915b7a1d06ee1745ca1fed9 [1,0,0,1,0,0|2,0,0]=4 4138 B11R1.41 C=CCN1CCCC[C@@H]1CC a5001501238411088cba9e2b614649de [1,0,0,1,0,0|2,0,0]=4 4139 B11R1.41 C=CCN1CCCC[C@H]1CC d7ed1e8e9692d344b7e07ff073dd73d9 [1,0,0,1,0,0|2,0,0]=4 4140 B11R1.41 CCC1CCCCN1CC=O 748aabe74482115f55e00322a7b46875 [1,0,0,1,0,0|1,0,0]=3 4141 B11R1.41 CCC1CCCCN1CCO 0401c5f429c790b76a4d5dfa63345bf3 [1,0,0,1,0,0|1,0,1]=4 4142 B11R1.41 CCC1COCCC1NC=O 9765dbe94cce8d7e77e2060d0e49c2f2 [1,0,0,1,0,0|2,0,0]=4 4143 B11R1.41 CCC1COCCN1CC=O ea1a69a63e6299cc8f64991f8d3dc2fe [1,0,0,1,0,0|2,0,0]=4 4144 B11R1.41 CCN1CCCCC1CCO b9f5cf9d4760ab3b20f8fc4f4bd6c46c [1,0,0,1,0,0|1,0,1]=4 4145 B11R1.41 CCN1CCCC[C@@H]1CCO 40c75c3fe5c226eb0c040626ccf3ce44 [1,0,0,1,0,0|1,0,1]=4 4146 B11R1.41 CCN1CCCC[C@H]1CCO 8281549c53ce644ed205bf54245ed833 [1,0,0,1,0,0|1,0,1]=4 4147 B11R1.41 CC[C@@H]1CCCCN1CC=O 4159365175d2ec814c24df618d6c0669 [1,0,0,1,0,0|1,0,0]=3 4148 B11R1.41 CC[C@@H]1CCCCN1CCO 31c74c02e02d1431ecaa933f030f1164 [1,0,0,1,0,0|1,0,1]=4 4149 B11R1.41 CC[C@@H]1COCCN1CC=O 71a635d2d95df1eda066071986894751 [1,0,0,1,0,0|2,0,0]=4 4150 B11R1.41 CC[C@H]1CCCCN1CC=O 91e74095fda1ba31ae667e551915a7e2 [1,0,0,1,0,0|1,0,0]=3 4151 B11R1.41 CC[C@H]1CCCCN1CCO 4087292e87a1b50826328ff916748508 [1,0,0,1,0,0|1,0,1]=4 4152 B11R1.41 CC[C@H]1COCCN1CC=O 0380b104b2af0705bf874f98e4f516a0 [1,0,0,1,0,0|2,0,0]=4 4153 B11R1.41 COC1CCCCC1NC=O cc5e2a74ace5b96f1afb859e3def4284 [1,0,0,1,0,0|2,0,0]=4 4154 B11R1.41 CO[C@H]1CCCC[C@@H]1NC=O f68560348deb1cf0ef006703908d203d [1,0,0,1,0,0|2,0,0]=4 4155 B11R1.41 O=CCN1CCCCC1CO 48cda386568df1883dff822fa7f6127f [1,0,0,1,0,0|2,0,0]=4 4156 B11R1.41 O=CCN1CCCC[C@@H]1CO d70841756a3e93b7ed5cb250d3fabcfd [1,0,0,1,0,0|2,0,0]=4 4157 B11R1.41 O=CCN1CCCC[C@H]1CO 73f1dc92f2db511a8dc812ca4bfbaac4 [1,0,0,1,0,0|2,0,0]=4 4158 B11R1.41 O=CN[C@@H]1CCCC[C@@H]1CO 9d20d8d62d25011a622962147aa3b6d2 [1,0,0,1,0,0|2,0,0]=4 4159 B11R1.41 O=CN[C@@H]1CCCC[C@H]1CO f353a135c51fbe92959326a57efea182 [1,0,0,1,0,0|2,0,0]=4 4160 B11R1.41 O=CN[C@H]1CCCC[C@H]1CO 77e3fca0ffe3271fe24eb97865c93f43 [1,0,0,1,0,0|2,0,0]=4 4161 B11R1.203 C=CCCN1CCCCCC1 eb2e9f8ff933d84afc9e9e7bdb27e526 [1,0,0,1,0,0|2,0,0]=4 4162 B11R1.203 C=CCNC1CCCCCC1 835b77ea2f05d1db508b48e058218dd9 [1,0,0,1,0,0|2,0,0]=4 4163 B11R1.203 C=CCOC1CCCCCC1 ca0d4f6ae71f9bd82e371d166ad276fd [1,0,0,1,0,0|2,0,0]=4 4164 B11R1.203 CCCCN1CCCOCC1 19d0fd66efe6b0b2db8f039245a02376 [1,0,0,1,0,0|1,0,1]=4 4165 B11R1.203 CCCNC1CCC=CCC1 66b0fafa8f9e791c05b64af469ab8bf8 [1,0,0,1,0,0|2,0,0]=4 4166 B11R1.203 CCCNC1CCCOCC1 d7a04daa48d12eea8d4a8374a1ad7adc [1,0,0,1,0,0|1,0,1]=4 4167 B11R1.203 CCCOC1CCCOCC1 e6ba70a1eee68a270651209b5c88918d [1,0,0,1,0,0|1,0,1]=4 4168 B11R1.203 O/C=C\CN1CCCCCC1 65e5d9a6ee93480c1dc960e79cb08e59 [1,0,0,1,0,0|1,0,1]=4 4169 B11R1.203 O=CCCN1CCCCCC1 17784adde57d54451972fe0abbcf77b2 [1,0,0,1,0,0|1,0,0]=3 4170 B11R1.203 O=CCCN1CCCOCC1 16d14934f47760e6972ab602b1b06649 [1,0,0,1,0,0|2,0,0]=4 4171 B11R1.203 O=CCNC1CCCCCC1 24eb6ac1a8dc2aac972722589a5f9050 [1,0,0,1,0,0|1,0,0]=3 4172 B11R1.203 O=CCNC1CCCOCC1 03ce52f15f32e381f6e463780268eddc [1,0,0,1,0,0|2,0,0]=4 4173 B11R1.203 O=CCOC1CCCCCC1 90420dad8ba0ca85278761550a74b58d [1,0,0,1,0,0|1,0,0]=3 4174 B11R1.203 O=CCOC1CCCOCC1 8e3db2c046c240e38c6f08efcab52a47 [1,0,0,1,0,0|2,0,0]=4 4175 B11R1.203 O=CNCC1CCCCCC1 d98c7cfb82f8e40dc854108c9b87d8cb [1,0,0,1,0,0|1,0,0]=3 4176 B11R1.203 OCCCN1CCCCCC1 7f2d557aa733fe77dff5c07ecf424d3d [1,0,0,1,0,0|1,0,1]=4 4177 B11R1.203 OCCNC1CCCCCC1 c34d7831eecf639a92fdf0e477751492 [1,0,0,1,0,0|1,0,1]=4 4178 B11R1.203 OCNCC1CCCCCC1 e9833a8d1bf4aa3da84560a76f5e3a41 [1,0,0,1,0,0|1,0,1]=4 4179 B11R1.212 CC1C(CCN1CCC=O)O 985fc47346ae8bbbd893b194724c7a6b [1,0,0,1,0,0|2,0,0]=4 4180 B11R1.212 CCCCN1CCC(C1C)O 4016b0e6e97435a2e46978120d8eb2d7 [1,0,0,1,0,0|1,0,1]=4 4181 B11R1.212 CCCCN1CC[C@@H]([C@@H]1C)O bba8b5a22d17297cb70d7d4b523a96c6 [1,0,0,1,0,0|1,0,1]=4 4182 B11R1.212 CCCCN1CC[C@H]([C@H]1C)O de99e4d606f8192bfbf37c487ddf2357 [1,0,0,1,0,0|1,0,1]=4 4183 B11R1.212 CCCOC1CCC(=O)N1C aa96e294f9e3d82238916255ee71dd01 [1,0,0,1,0,0|2,0,0]=4 4184 B11R1.212 CCNCC1CCC(=O)N1C f0e5f74549cfdcb69bc365f7cf0b3627 [1,0,0,1,0,0|2,0,0]=4 4185 B11R1.212 CCNC[C@@H]1CCC(=O)N1C 6ca5b3edf1558166cbb150414f75df6d [1,0,0,1,0,0|2,0,0]=4 4186 B11R1.212 CCNC[C@H]1CCC(=O)N1C dec6539fc292b55c1f444e99fdc8039e [1,0,0,1,0,0|2,0,0]=4 4187 B11R1.212 CCOCC1CCC(=O)N1C db6d2ec1bf2250c467cb4578f3f57710 [1,0,0,1,0,0|2,0,0]=4 4188 B11R1.212 CCOC[C@@H]1CCC(=O)N1C a9c3dd1e4ad4c31084fdf3d1af674d5a [1,0,0,1,0,0|2,0,0]=4 4189 B11R1.212 CCOC[C@H]1CCC(=O)N1C f2b71df2a33a4b9b1133fd62b38f04df [1,0,0,1,0,0|2,0,0]=4 4190 B11R1.212 C[C@@H]1[C@@H](CCN1CCC=O)O a81fb6dca69e303190637e244abe2fbd [1,0,0,1,0,0|2,0,0]=4 4191 B11R1.212 C[C@H]1[C@H](CCN1CCC=O)O b9730dd89cf9db92b758df8ac34f9faf [1,0,0,1,0,0|2,0,0]=4 4192 B11R1.214 C=CC1CCN(C1)CCCC 6176d5574cae1a3931d61ab92af2131a [1,0,0,1,0,0|2,0,0]=4 4193 B11R1.214 C=CCCN1CCC(C1)CC 591b14e4b67de1a8a9914b69c86ae2bc [1,0,0,1,0,0|2,0,0]=4 4194 B11R1.214 CCC1CCN(C1)C/C=C\O 7659189e892e14eb86aae7143f1b1a94 [1,0,0,1,0,0|1,0,1]=4 4195 B11R1.214 CCC1CCN(C1)CCC=O 45afa7cfaddbee79b1f31c579a9d189b [1,0,0,1,0,0|1,0,0]=3 4196 B11R1.214 CCC1CCN(C1)CCCO 91ddea725478c9840499db2c62dfacaf [1,0,0,1,0,0|1,0,1]=4 4197 B11R1.214 CCCCN1CCC(C1)CO 16b7e14405f45cfb97159e46b8add0c2 [1,0,0,1,0,0|1,0,1]=4 4198 B11R1.214 CCCCN1CC[C@@H](C1)CO 20f648a6b7104e94cacb6db0163b8702 [1,0,0,1,0,0|1,0,1]=4 4199 B11R1.214 CCCCN1CC[C@H](C1)CO a487003ddf6b1a56271595ca71da9639 [1,0,0,1,0,0|1,0,1]=4 4200 B11R1.214 CCCNC1CCC(C1)CO 805857b53f6b10e050b734f4eedd8825 [1,0,0,1,0,0|1,0,1]=4 4201 B11R1.214 CCCN[C@@H]1CC[C@@H](C1)CO bda101a103559ba2e7497bcc06791597 [1,0,0,1,0,0|1,0,1]=4 4202 B11R1.214 CCCN[C@@H]1CC[C@H](C1)CO ab10e0864085fa5e866e651f05acc670 [1,0,0,1,0,0|1,0,1]=4 4203 B11R1.214 CCCN[C@H]1CC[C@@H](C1)CO bb362c0ab3af9b24fd60c6fb46ac5c82 [1,0,0,1,0,0|1,0,1]=4 4204 B11R1.214 CCCN[C@H]1CC[C@H](C1)CO 11839368521ce82f03f231ceef369e76 [1,0,0,1,0,0|1,0,1]=4 4205 B11R1.214 CCCOC1CCN(C1)C=O 3ec7899243ff6a9b08dcda85a6d32e98 [1,0,0,1,0,0|2,0,0]=4 4206 B11R1.214 CCCO[C@@H]1CCN(C1)C=O 9308d6d2fbc8a74a062c7c2feb7adf9a [1,0,0,1,0,0|2,0,0]=4 4207 B11R1.214 CCCO[C@H]1CCN(C1)C=O 51eddedf28bd12f167d8818132f4b459 [1,0,0,1,0,0|2,0,0]=4 4208 B11R1.214 CCN1CCC(C1)CNC=O 7bca3a75d08bd330b426da2716712ae3 [1,0,0,1,0,0|2,0,0]=4 4209 B11R1.214 CCN1CCC(C1)NCC=O a9805908bab64d75ddfe66bba565bdb8 [1,0,0,1,0,0|2,0,0]=4 4210 B11R1.214 CCN1CCC(C1)OCC=O 27a904b624b9683c90d0775f1759a591 [1,0,0,1,0,0|2,0,0]=4 4211 B11R1.214 CCN1CC[C@@H](C1)NCC=O 056ad90aba98ef2c9e87526a2936c80f [1,0,0,1,0,0|2,0,0]=4 4212 B11R1.214 CCN1CC[C@H](C1)CNC=O 0fa6aca54f58f96eef57b6455a0b2eaa [1,0,0,1,0,0|2,0,0]=4 4213 B11R1.214 CCN1CC[C@H](C1)NCC=O f36167f4892e4a1b632aad39409b6c0e [1,0,0,1,0,0|2,0,0]=4 4214 B11R1.214 CCOCC1CCN(C1)C=O 3a5f8a7da918246e6a357f8608dd1935 [1,0,0,1,0,0|2,0,0]=4 4215 B11R1.214 COC1CCC(C1)OCC=O d49a025eba218289bc94a0256959793f [1,0,0,1,0,0|2,0,0]=4 4216 B11R1.214 COC1CCN(C1)CCC=O e340183d1194dc24799989d58a6eed88 [1,0,0,1,0,0|2,0,0]=4 4217 B11R1.214 CO[C@@H]1CCN(C1)CCC=O 6184b0c3280432115483cbdf50827f09 [1,0,0,1,0,0|2,0,0]=4 4218 B11R1.214 CO[C@@H]1CC[C@@H](C1)OCC=O ad96bc1b6efb8376f7f998a82bf8c154 [1,0,0,1,0,0|2,0,0]=4 4219 B11R1.214 CO[C@@H]1CC[C@H](C1)OCC=O 793fbae30ef5fdbe44bb5fc9f92b98e0 [1,0,0,1,0,0|2,0,0]=4 4220 B11R1.214 CO[C@H]1CCN(C1)CCC=O b01f73693f8a6579f4ee13a52705795e [1,0,0,1,0,0|2,0,0]=4 4221 B11R1.214 CO[C@H]1CC[C@H](C1)NCC=O 112869e8afcbcd4f7f8e516eb8197c2a [1,0,0,1,0,0|2,0,0]=4 4222 B11R1.214 O=CCCN1CCC(C1)CO b7b368e0202a33242083521149ea4639 [1,0,0,1,0,0|2,0,0]=4 4223 B11R1.214 O=CCCN1CC[C@@H](C1)CO edd04001be9766f1a07ac5b22a177301 [1,0,0,1,0,0|2,0,0]=4 4224 B11R1.214 O=CCCN1CC[C@H](C1)CO c62454ce3830e88cb9a736e3d6151a86 [1,0,0,1,0,0|2,0,0]=4 4225 B11R1.214 O=CCNC1CCC(C1)CO e3a52af74c9bd69fb1c9e103336346b8 [1,0,0,1,0,0|2,0,0]=4 4226 B11R1.214 O=CCN[C@@H]1CC[C@@H](C1)CO 18b0f06b99150f0cbbeaa259a34be2b1 [1,0,0,1,0,0|2,0,0]=4 4227 B11R1.214 O=CCN[C@@H]1CC[C@H](C1)CO 2c7d1d941a9485c0f8b17aec35db7358 [1,0,0,1,0,0|2,0,0]=4 4228 B11R1.214 O=CCN[C@H]1CC[C@@H](C1)CO acd98dad24ffa4679d0353b61040d6e6 [1,0,0,1,0,0|2,0,0]=4 4229 B11R1.214 O=CCN[C@H]1CC[C@H](C1)CO 800d4c6ff3a0d948d7dc284917e9e9ce [1,0,0,1,0,0|2,0,0]=4 4230 B11R1.232 CCCCN1CCC1CCO cf9681096b6146bae176348e6db94d0e [1,0,0,1,0,0|1,0,1]=4 4231 B11R1.232 COCC1CCN1CCC=O 70bcf3d9cf0c7fd9ce3ea2a7d60077dc [1,0,0,1,0,0|2,0,0]=4 4232 B11R1.232 COC[C@@H]1CCN1CCC=O 7033e11b520647ede4a541f49429cc87 [1,0,0,1,0,0|2,0,0]=4 4233 B11R1.232 COC[C@H]1CCN1CCC=O 50cd9e887d660e0d7346de33e3549b96 [1,0,0,1,0,0|2,0,0]=4 4234 B11R1.232 O=CCCN1CCC1CCO 46722f95cd5fed14a3a72e0529c223f9 [1,0,0,1,0,0|2,0,0]=4 4235 B11R1.280 CC1CCC(CN1C=O)CO c6f3ebb69f1395d238f61d772958f899 [1,0,0,1,0,0|2,0,0]=4 4236 B11R1.280 CCC1CCC(N(C1)C=O)C 6fbd8df4194411bf0d717ae724bd3414 [1,0,0,1,0,0|1,0,0]=3 4237 B11R1.280 CCC1CCC(N(C1)CO)C f6b6d12199d981db2c53651058806bd8 [1,0,0,1,0,0|1,0,1]=4 4238 B11R1.317 C=CCCN(CC)C1CCC1 8194b7bf7914e7448efed241a308f1de [1,0,0,1,0,0|2,0,0]=4 4239 B11R1.317 CCC(NCC=O)C1COC1 baf2190820d0836496e9e53cb36ecb2f [1,0,0,1,0,0|2,0,0]=4 4240 B11R1.317 CCC(OCC=O)C1COC1 d2c217a0bb75ada89e108f9969246678 [1,0,0,1,0,0|2,0,0]=4 4241 B11R1.317 CCN(C/C=C\O)C1CCC1 3ddd4dba461ab9732adcd18eaa0c956f [1,0,0,1,0,0|1,0,1]=4 4242 B11R1.317 CCN(CCC=O)C1CCC1 24e11c39a66e10f01a3622ec5a3bc39c [1,0,0,1,0,0|1,0,0]=3 4243 B11R1.317 CCN(CCC=O)C1COC1 28138f21ff05b2d2d97c4451ce17adff [1,0,0,1,0,0|2,0,0]=4 4244 B11R1.317 CCN(CCC=O)C1CSC1 cf44dbd1e709b2f2bc723931cb1b2c34 [1,0,0,1,0,0|2,0,0]=4 4245 B11R1.317 CCN(CCCO)C1CCC1 a51c9a6c96791251a8e233c2d02d7de6 [1,0,0,1,0,0|1,0,1]=4 4246 B11R1.317 O=CCN[C@H](CO)C1CCC1 b705c7b081f0b29f6d0dd56850a04d3e [1,0,0,1,0,0|2,0,0]=4 4247 B11R1.319 C=CCCN(CC)CC1CC1 2ade00f043283b8a66d2683d87bd38e8 [1,0,0,1,0,0|2,0,0]=4 4248 B11R1.319 CCN(C/C=C\O)CC1CC1 c8028604fa5ed4775f30d20e18cf562d [1,0,0,1,0,0|1,0,1]=4 4249 B11R1.319 CCN(CCC=O)CC1CC1 fb9687044b1ade33745f7530112ca3a7 [1,0,0,1,0,0|1,0,0]=3 4250 B11R1.319 CCN(CCCO)CC1CC1 e9e8961177bf98ff18b6d1652235e129 [1,0,0,1,0,0|1,0,1]=4 4251 B11R1.319 O=CNCC(CO)CC1CC1 15740d6cc7cbfed26c5993a31ffe5e71 [1,0,0,1,0,0|2,0,0]=4 4252 B11R1.920 COCCC1(CC1)CNC=O 94ce4ca67dded503c20b23cdf6ee735b [1,0,0,1,0,0|2,0,0]=4 4253 B11R1.958 CCN1CCC(=O)N(CC1)C 642a226b26b9022c9c8f4feb484f723c [1,0,0,1,0,0|2,0,0]=4 4254 B11R1.1135 O=CCNC1(CCCC1)CO adff95167ea53141090172c515291a2c [1,0,0,1,0,0|2,0,0]=4 4255 B11R1.1135 O=CNCC1(CCCC1)CO 7bf85e5822c54e5b4c1de1102bf1dd5f [1,0,0,1,0,0|2,0,0]=4 4256 B11R1.50 CC1CN(CC1C(=O)O)CF 6fd474430153fa250e6c9ca54c9141c3 [1,0,0,1,0,0|2,0,0]=4 4257 B11R1.50 CC1CN(CC1C(=O)O)CO 2929ae8223568eb58ef394ad2fcf2043 [1,0,0,1,0,0|2,0,0]=4 4258 B11R1.50 CCN1CC(C(C1)C(=O)O)C 79d0a603f9f05281c7e86bfab47a6e53 [1,0,0,1,0,0|1,0,0]=3 4259 B11R1.50 CCN1C[C@@H]([C@@H](C1)C(=O)O)C 7ce46df0fd1c80e4000ed8e30ba22152 [1,0,0,1,0,0|1,0,0]=3 4260 B11R1.50 C[C@H]1CN(C[C@H]1C(=O)O)CF 104d77db89e8d499915f0a962a43f06c [1,0,0,1,0,0|2,0,0]=4 4261 B11R1.50 C[C@H]1CN(C[C@H]1C(=O)O)CO f3dea965cbe94b6a8dd78c66acf476ac [1,0,0,1,0,0|2,0,0]=4 4262 B11R1.57 CCC1CCCN1CC(=O)N c185fb22daa4500a714a8bda72f3f491 [1,0,0,1,0,0|2,0,0]=4 4263 B11R1.57 CCC1CCCN1CC(=O)O c31ac8bd4b3eeed7b5beb09db1545ade [1,0,0,1,0,0|1,0,0]=3 4264 B11R1.57 CCN1CCCC1CC(=O)O 8035896eb0b4ccf9532ccab0532ab2dc [1,0,0,1,0,0|1,0,0]=3 4265 B11R1.57 CCN1CCC[C@@H]1CC(=O)O 078da1d03ae15c1dbe297412c6b8c765 [1,0,0,1,0,0|1,0,0]=3 4266 B11R1.57 CCN1CCC[C@H]1CC(=O)O e31ed026b01212112bf4b9b75bdf0a78 [1,0,0,1,0,0|1,0,0]=3 4267 B11R1.57 CC[C@@H]1CCCN1CC(=O)N f3ff600658ba91efc1a54dbee891c810 [1,0,0,1,0,0|2,0,0]=4 4268 B11R1.57 CC[C@@H]1CCCN1CC(=O)O fcbfc0397f95ebb582b031ed6c75b8f9 [1,0,0,1,0,0|1,0,0]=3 4269 B11R1.57 CC[C@@H]1CCC[C@H]1NC(=O)C 3e0e1d15d776c3dcd038aea6de3e4dfb [1,0,0,1,0,0|2,0,0]=4 4270 B11R1.57 COC1CCCN1CC(=O)O b53221ba908aeb459ede6db241de034a [1,0,0,1,0,0|2,0,0]=4 4271 B11R1.57 O=C(O)CC1CCCN1CF 3a287768ef1b7da7171a674ab376bf68 [1,0,0,1,0,0|2,0,0]=4 4272 B11R1.57 O=C(O)CC1CCCN1CO 78657bf49c2c1b688e1cc7669dba9593 [1,0,0,1,0,0|2,0,0]=4 4273 B11R1.57 O=C(O)CN1CCCC1CO 18fd863028aad275999bc40f6d591e61 [1,0,0,1,0,0|2,0,0]=4 4274 B11R1.57 O=C(O)CN1CCC[C@@H]1CF 263fe6a95009679abd398b22b26de003 [1,0,0,1,0,0|2,0,0]=4 4275 B11R1.57 O=C(O)CN1CCC[C@@H]1CO c0e96541a04d6ea32d8c88e1d4d3476d [1,0,0,1,0,0|2,0,0]=4 4276 B11R1.57 O=C(O)CN1CCC[C@H]1CF b4a8362b840c2d285203cd7edfef101f [1,0,0,1,0,0|2,0,0]=4 4277 B11R1.57 O=C(O)CN1CCC[C@H]1CO 09199b79d3f006b679a7584910181061 [1,0,0,1,0,0|2,0,0]=4 4278 B11R1.57 O=C(O)C[C@@H]1CCCN1CF 328c792f31f63a96fa9363b323d175d3 [1,0,0,1,0,0|2,0,0]=4 4279 B11R1.57 O=C(O)C[C@@H]1CCCN1CO 0e5cbe2fc4622eadc3c287c533b5b280 [1,0,0,1,0,0|2,0,0]=4 4280 B11R1.57 O=C(O)C[C@H]1CCCN1CF 616b727bab28ac72371577c1d1597e86 [1,0,0,1,0,0|2,0,0]=4 4281 B11R1.57 O=C(O)C[C@H]1CCCN1CO 73db8aa3e045ecef15245ee6b0a1259b [1,0,0,1,0,0|2,0,0]=4 4282 B11R1.75 CC(=O)CCN1CCC(C1)C 9de9b84272c07e29768e28490a071eaf [1,0,0,1,0,0|2,0,0]=4 4283 B11R1.75 CC1CC(CO1)NCC(=O)O 9bd320dee77170c27e5d23e270362985 [1,0,0,1,0,0|2,0,0]=4 4284 B11R1.75 CC1CC(CO1)OCC(=O)O 08c159dfae3306b3069d797cb57c0585 [1,0,0,1,0,0|2,0,0]=4 4285 B11R1.75 CC1CCC(C1)NCC(=O)N cf1a1e5a9ca07d21770fa475c185379e [1,0,0,1,0,0|2,0,0]=4 4286 B11R1.75 CC1CCC(C1)NCC(=O)O b91263eb0e68378329124588f3440e20 [1,0,0,1,0,0|1,0,0]=3 4287 B11R1.75 CC1CCC(C1)OCC(=O)N 7830a445d1f16f11b93cf51de334e821 [1,0,0,1,0,0|2,0,0]=4 4288 B11R1.75 CC1CCC(C1)OCC(=O)O 34706f1cb706bb382746d51da5b8e32b [1,0,0,1,0,0|1,0,0]=3 4289 B11R1.75 CC1CCN(C1)CCC(=O)N b8597c68c0ee0faa362ec4f3d9f2543f [1,0,0,1,0,0|2,0,0]=4 4290 B11R1.75 CC1CCN(C1)CCC(=O)O a698f4135c86a32047736204600a83d1 [1,0,0,1,0,0|1,0,0]=3 4291 B11R1.75 CN1CCC(C1)NCC(=O)O 17ab1a7cfa873ebf026183126434ccc0 [1,0,0,1,0,0|2,0,0]=4 4292 B11R1.75 CN1CCC(C1)OCC(=O)O 772cfbcad15d21a97312ebe7f87ca701 [1,0,0,1,0,0|2,0,0]=4 4293 B11R1.75 CN1CCN(C1)CCC(=O)O 2e3c4eb066315c306b22d2c626d63bbd [1,0,0,1,0,0|2,0,0]=4 4294 B11R1.75 CN1CC[C@@H](C1)NCC(=O)O 7a1bc6104b9be82efeb9aa25fc69745c [1,0,0,1,0,0|2,0,0]=4 4295 B11R1.75 CN1CC[C@@H](C1)OCC(=O)O 8e163bf2e61b44c2deb624ca3dd36e8c [1,0,0,1,0,0|2,0,0]=4 4296 B11R1.75 CN1CC[C@H](C1)NCC(=O)O 85c2ac3ca8d99d6924bf5b7e733ca000 [1,0,0,1,0,0|2,0,0]=4 4297 B11R1.75 CN1CC[C@H](C1)OCC(=O)O 7c125c09ceaaedabb3f6e371ead7222b [1,0,0,1,0,0|2,0,0]=4 4298 B11R1.75 O=C(O)CCN1CCC(C1)F d4184d80cd13b028c937cb738397aba0 [1,0,0,1,0,0|2,0,0]=4 4299 B11R1.75 O=C(O)CCN1CCC(C1)O a9c7d6f576bf60e2ed5bf0b415e0747d [1,0,0,1,0,0|2,0,0]=4 4300 B11R1.75 O=C(O)CCN1CC[C@@H](C1)F 05fcd2da99dfe6f41ea41ba9444ca9d7 [1,0,0,1,0,0|2,0,0]=4 4301 B11R1.75 O=C(O)CCN1CC[C@@H](C1)O 6b4ee12311ccbbb6d07a42ca8048d5f3 [1,0,0,1,0,0|2,0,0]=4 4302 B11R1.75 O=C(O)CCN1CC[C@H](C1)F f1458e7e85d68d633c9bc8edc445881e [1,0,0,1,0,0|2,0,0]=4 4303 B11R1.75 O=C(O)CCN1CC[C@H](C1)O 54ef94be7fd5a9f3653d10513bf1209f [1,0,0,1,0,0|2,0,0]=4 4304 B11R1.75 O=C(O)CNC1CCC(C1)O 8cbc05d4df0f5d612a13d13b4ef8752c [1,0,0,1,0,0|2,0,0]=4 4305 B11R1.75 O=C(O)CN[C@@H]1CC[C@@H](C1)O e724e00214b84355dcd45c54a7f6c73f [1,0,0,1,0,0|2,0,0]=4 4306 B11R1.75 O=C(O)CN[C@@H]1CC[C@H](C1)O 1e1dac2ef417205d0414a50579662edf [1,0,0,1,0,0|2,0,0]=4 4307 B11R1.75 O=C(O)CN[C@H]1CC[C@@H](C1)O 781dc2a2e1f4d580ab611302f1b51fda [1,0,0,1,0,0|2,0,0]=4 4308 B11R1.75 O=C(O)CN[C@H]1CC[C@H](C1)O f7ad75a5435c628b4f34e818231dd782 [1,0,0,1,0,0|2,0,0]=4 4309 B11R1.75 O=C(O)COC1CCC(C1)F bcfcf769b205f9612da80a130e4ecbb7 [1,0,0,1,0,0|2,0,0]=4 4310 B11R1.81 CCOC1CCC(=O)CC1C bbd05b28fe91bed54594e6c907dba246 [1,0,0,1,0,0|2,0,0]=4 4311 B11R1.81 CCOC1CCC(=O)NC1C af63b6d32a082765385d535da13c8b79 [1,0,0,1,0,0|2,0,0]=4 4312 B11R1.90 CC(=O)CCN1CCCC1C ab55e2f108912d002326fbc457da1c44 [1,0,0,1,0,0|2,0,0]=4 4313 B11R1.90 CC(=O)CCN1CCC[C@@H]1C dc6ff659b42cbdb6029974e19a8a3368 [1,0,0,1,0,0|2,0,0]=4 4314 B11R1.90 CC(=O)CCN1CCC[C@H]1C 7d2b7f9be62fb5dde93f0a91e0251b7e [1,0,0,1,0,0|2,0,0]=4 4315 B11R1.90 CC1CCCC1OCC(=O)N 4fee3f88e46733ad34c4c115601bb5c5 [1,0,0,1,0,0|2,0,0]=4 4316 B11R1.90 CC1CCCC1OCC(=O)O 8b302fdcccb2e5b0cbc05eb78f61b043 [1,0,0,1,0,0|1,0,0]=3 4317 B11R1.90 CC1CCCN1CCC(=O)N f9f01f0c93049664c15074828dda8b03 [1,0,0,1,0,0|2,0,0]=4 4318 B11R1.90 CC1CCCN1CCC(=O)O 5dcf506a51a046fb0501db2e405b0462 [1,0,0,1,0,0|1,0,0]=3 4319 B11R1.90 CC1COCC1OCC(=O)O df066681c986e1d0ed881ddaea060f92 [1,0,0,1,0,0|2,0,0]=4 4320 B11R1.90 C[C@@H]1CCCN1CCC(=O)N ee174c696ba6e526988c2f02cc2c0c2a [1,0,0,1,0,0|2,0,0]=4 4321 B11R1.90 C[C@@H]1CCCN1CCC(=O)O 96dc0a47aa28ac6e47d8d4bf1e71e990 [1,0,0,1,0,0|1,0,0]=3 4322 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)N 1184acc8b4aad430dc992135fd786da5 [1,0,0,1,0,0|2,0,0]=4 4323 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)O 735a45401cd3b3bbab8ed3fa02f5be83 [1,0,0,1,0,0|1,0,0]=3 4324 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)N ca726fed3322bb1ce526546ad44049f4 [1,0,0,1,0,0|2,0,0]=4 4325 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)O 1c7967d6457face00634b93870635bd7 [1,0,0,1,0,0|1,0,0]=3 4326 B11R1.90 C[C@@H]1COC[C@@H]1OCC(=O)O aaaaed8b059f1ced6e228d2f6e718e67 [1,0,0,1,0,0|2,0,0]=4 4327 B11R1.90 C[C@H]1CCCN1CCC(=O)N 282778205b3870c26b4527f56d58959f [1,0,0,1,0,0|2,0,0]=4 4328 B11R1.90 C[C@H]1CCCN1CCC(=O)O 15177369ccddfffa267e0f1ea23ee8e6 [1,0,0,1,0,0|1,0,0]=3 4329 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)N acb029276a46ec825cfebe05c4167b98 [1,0,0,1,0,0|2,0,0]=4 4330 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)O 1011d83d813a08e7d91c46348c016f66 [1,0,0,1,0,0|1,0,0]=3 4331 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)N bd5b8c042241bb80179df5c047c5960c [1,0,0,1,0,0|2,0,0]=4 4332 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)O 41f392f14989d15a78b37a9a4a93f045 [1,0,0,1,0,0|1,0,0]=3 4333 B11R1.90 C[C@H]1COC[C@@H]1OCC(=O)O 3c1c50f9789739472bd1035efc9db00e [1,0,0,1,0,0|2,0,0]=4 4334 B11R1.90 C[C@H]1COC[C@H]1OCC(=O)O fd7d1abc48621d493bf9bddf84293b38 [1,0,0,1,0,0|2,0,0]=4 4335 B11R1.90 O=C(O)CCN1CCCC1O 3c721be2a5f13d4f83ec3fdb254a149f [1,0,0,1,0,0|2,0,0]=4 4336 B11R1.90 O=C(O)CNC1CCCC1O 4ebe649c114bd55216e6381c318bf421 [1,0,0,1,0,0|2,0,0]=4 4337 B11R1.90 O=C(O)CN[C@@H]1CCC[C@@H]1O 4e3c6cfcceaae1d8e09f0b43011ac18b [1,0,0,1,0,0|2,0,0]=4 4338 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 0004ed21fdc2e98760db8a34ad8da636 [1,0,0,1,0,0|2,0,0]=4 4339 B11R1.90 O=C(O)CN[C@H]1CCC[C@@H]1O 83d9e7b37b03d01fa38520665b96bcfa [1,0,0,1,0,0|2,0,0]=4 4340 B11R1.90 O=C(O)CN[C@H]1CCC[C@H]1O 489d3fcb2f42477c58cba9671541d376 [1,0,0,1,0,0|2,0,0]=4 4341 B11R1.90 O=C(O)CO[C@@H]1CCC[C@H]1F b444918d808f918451551dfb25df770b [1,0,0,1,0,0|2,0,0]=4 4342 B11R1.91 CC(=O)CNC1CCCCC1 41f3bbc8aa0b0ee4d56e1bb353997307 [1,0,0,1,0,0|2,0,0]=4 4343 B11R1.91 CC(=O)COC1CCCCC1 763ec2b1245af52120f0b3066af09e15 [1,0,0,1,0,0|2,0,0]=4 4344 B11R1.91 CC(=O)NCC1CCCCC1 13ef8179cc48c409da15977c5ecf76d3 [1,0,0,1,0,0|2,0,0]=4 4345 B11R1.91 NC(=O)CNC1CCCCC1 49e5840c39ba3b16bc013cd4a010e6e2 [1,0,0,1,0,0|2,0,0]=4 4346 B11R1.91 NC(=O)COC1CCCCC1 0342972a414d125c2c7187722ddbb7ed [1,0,0,1,0,0|2,0,0]=4 4347 B11R1.91 O=C(O)CCN1CCCOC1 2c17ea5f32ddb1647043c100ffb608e3 [1,0,0,1,0,0|2,0,0]=4 4348 B11R1.91 O=C(O)CCN1CCCSC1 c769cfe6c5544540390fe81e6cea18cf [1,0,0,1,0,0|2,0,0]=4 4349 B11R1.91 O=C(O)CCN1CCOCC1 72ea8d5d0c05c51cc00423634b0f0699 [1,0,0,1,0,0|2,0,0]=4 4350 B11R1.91 O=C(O)CCN1CCSCC1 6445c5c6f6b70584cd912a2ab36153ad [1,0,0,1,0,0|2,0,0]=4 4351 B11R1.91 O=C(O)CNC1CCCCC1 6170fa39da854f2ae539e4442d25e354 [1,0,0,1,0,0|1,0,0]=3 4352 B11R1.91 O=C(O)CNC1CCCCO1 0601744de8bfaeac3efa0eaae34b0e2a [1,0,0,1,0,0|2,0,0]=4 4353 B11R1.91 O=C(O)CNC1CCCOC1 de8c0d47483c3f100833bbc04551e425 [1,0,0,1,0,0|2,0,0]=4 4354 B11R1.91 O=C(O)CNC1CCOCC1 de1a366c5915b7b602ff6be02564e839 [1,0,0,1,0,0|2,0,0]=4 4355 B11R1.91 O=C(O)CNC1CCSCC1 a1d4dcc34b9d978a9aada4af63ce44d5 [1,0,0,1,0,0|2,0,0]=4 4356 B11R1.91 O=C(O)CN[C@@H]1CCCOC1 a4936671de955a660a8b95906cfcf3fe [1,0,0,1,0,0|2,0,0]=4 4357 B11R1.91 O=C(O)CN[C@H]1CCCOC1 c38b7aafbfb095786d36e5a2e6d14252 [1,0,0,1,0,0|2,0,0]=4 4358 B11R1.91 O=C(O)COC1CCCCC1 c56b55e54d9cc9b734edcd0ed0978f43 [1,0,0,1,0,0|1,0,0]=3 4359 B11R1.91 O=C(O)COC1CCCCO1 927e1af2807bd3dd35f5b1bd3c90f17b [1,0,0,1,0,0|2,0,0]=4 4360 B11R1.91 O=C(O)COC1CCCOC1 f10d417684ae0b4f2fe8858293490ec1 [1,0,0,1,0,0|2,0,0]=4 4361 B11R1.91 O=C(O)COC1CCCSC1 7272dae6ecc3c9c2a4ea28deac73fb75 [1,0,0,1,0,0|2,0,0]=4 4362 B11R1.91 O=C(O)COC1CCOCC1 d35c7985939bbbbf7d929dd6cf8e4d91 [1,0,0,1,0,0|2,0,0]=4 4363 B11R1.91 O=C(O)COC1CCSCC1 b2cb64231e512bfba5c6f77887ea953d [1,0,0,1,0,0|2,0,0]=4 4364 B11R1.91 O=C(O)CO[C@@H]1CCCOC1 0436b7ec633e33f771801ad9b698da19 [1,0,0,1,0,0|2,0,0]=4 4365 B11R1.91 O=C(O)CO[C@H]1CCCOC1 654ae1e30203a17364d5c0aea2fe9d02 [1,0,0,1,0,0|2,0,0]=4 4366 B11R1.91 O=S(O)COC1CCCCC1 ce98fa7fea4abd576b51cca8386c298a [1,0,0,1,0,0|2,0,0]=4 4367 B11R1.113 CCCN1CCC1CC(=O)O eb9847c838c016909ff9e9544b4f5356 [1,0,0,1,0,0|1,0,0]=3 4368 B11R1.113 COCC1CCN1CC(=O)O 17626182c3dc6d51f2d6fceff77f2804 [1,0,0,1,0,0|2,0,0]=4 4369 B11R1.113 COCN1CCC1CC(=O)O 4e01e1a70814c21f6da7561f75a7e025 [1,0,0,1,0,0|2,0,0]=4 4370 B11R1.113 COC[C@@H]1CCN1CC(=O)O 76ae1224268bf7d70f6f32c2a43c26f1 [1,0,0,1,0,0|2,0,0]=4 4371 B11R1.113 COC[C@H]1CCN1CC(=O)O 95a11670e953c147a954a00bcb1a73a1 [1,0,0,1,0,0|2,0,0]=4 4372 B11R1.113 CSCN1CCC1CC(=O)O 414d299412c33e07418261d75564052c [1,0,0,1,0,0|2,0,0]=4 4373 B11R1.113 O=C(O)CC1CCN1CCF 350b881e50ea2024785ef0ed4799be8b [1,0,0,1,0,0|2,0,0]=4 4374 B11R1.113 O=C(O)CC1CCN1CCO b8793d8aa6576585687a7f1b4d889d79 [1,0,0,1,0,0|2,0,0]=4 4375 B11R1.113 O=C(O)CC1CCN1CCS 708e5e4b7cb7ee63e813cf63ba7a1ffe [1,0,0,1,0,0|2,0,0]=4 4376 B11R1.113 O=C(O)CN1CCC1CCO d3131954bccb9b151f58378fff7b4f7f [1,0,0,1,0,0|2,0,0]=4 4377 B11R1.124 CCCC1CCN(C1)C(=O)C cf653038333ed4fdc6e97034154be45f [1,0,0,1,0,0|2,0,0]=4 4378 B11R1.124 CCCN1CCC(C1)C(=O)C 68b9d9e425da70cd916c3aad788516b4 [1,0,0,1,0,0|2,0,0]=4 4379 B11R1.124 CCCN1CCC(C1)C(=O)N 7cd2d813f0b7507a3c74c2bf90a9fed4 [1,0,0,1,0,0|2,0,0]=4 4380 B11R1.124 CCCN1CCC(C1)C(=O)O 87e4e74ec5a2a9417c4168cd294b1c79 [1,0,0,1,0,0|1,0,0]=3 4381 B11R1.124 CCCN1CC[C@@H](C1)C(=O)N b6b263aad262f62bd56a2ad52c2e9884 [1,0,0,1,0,0|2,0,0]=4 4382 B11R1.124 CCCN1CC[C@@H](C1)C(=O)O f0e8b057ca9fdfbb4fe5cb890d06cef6 [1,0,0,1,0,0|1,0,0]=3 4383 B11R1.124 CCCN1CC[C@H](C1)C(=O)N 77bfbc14e23184f046d519235cd3dbc6 [1,0,0,1,0,0|2,0,0]=4 4384 B11R1.124 CCCN1CC[C@H](C1)C(=O)O 095997d10c82d1b711b0c726dec4d13b [1,0,0,1,0,0|1,0,0]=3 4385 B11R1.124 CCNC1CCC(C1)C(=O)N 04a3d61423b766205458bacba408aeac [1,0,0,1,0,0|2,0,0]=4 4386 B11R1.124 CCNC1CCC(C1)C(=O)O 8a32177e05f38c3811851d2f49ef5522 [1,0,0,1,0,0|1,0,0]=3 4387 B11R1.124 CCN[C@@H]1CC[C@@H](C1)C(=O)N 150a20774f705c74e63b48cb9f264db1 [1,0,0,1,0,0|2,0,0]=4 4388 B11R1.124 CCN[C@@H]1CC[C@@H](C1)C(=O)O e7e3b1762a14d8784b53e835bcc25e83 [1,0,0,1,0,0|1,0,0]=3 4389 B11R1.124 CCN[C@@H]1CC[C@H](C1)C(=O)N 1428a286538cce2ffbe60100599f4246 [1,0,0,1,0,0|2,0,0]=4 4390 B11R1.124 CCN[C@@H]1CC[C@H](C1)C(=O)O 9f7dcb7e6933010f42d1a423e4ec32d6 [1,0,0,1,0,0|1,0,0]=3 4391 B11R1.124 CCN[C@H]1CC[C@@H](C1)C(=O)N f46adc1b72ada2ef491662a6c78d18f8 [1,0,0,1,0,0|2,0,0]=4 4392 B11R1.124 CCN[C@H]1CC[C@@H](C1)C(=O)O f1d4a8fc9dcb3ed49175ba69ea4366f3 [1,0,0,1,0,0|1,0,0]=3 4393 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)N 615de7ef05d17820c52cb92c76c3becc [1,0,0,1,0,0|2,0,0]=4 4394 B11R1.124 CCN[C@H]1CC[C@H](C1)C(=O)O 3e2cefc860eaf3d2a67e665161acd3fa [1,0,0,1,0,0|1,0,0]=3 4395 B11R1.124 CCOC1CCC(C1)C(=O)O 86af6eb36c87a7444d960bd2c4c650d0 [1,0,0,1,0,0|1,0,0]=3 4396 B11R1.124 CCO[C@@H]1CC[C@@H](C1)C(=O)O 54f622e4e633f49f0d461b8256af8593 [1,0,0,1,0,0|1,0,0]=3 4397 B11R1.124 CCO[C@@H]1CC[C@H](C1)C(=O)O 42ca338ff930d0894841ecff9ee89c70 [1,0,0,1,0,0|1,0,0]=3 4398 B11R1.124 CCO[C@H]1CC[C@@H](C1)C(=O)O 41c318617516a60d965d51435ee5c3de [1,0,0,1,0,0|1,0,0]=3 4399 B11R1.124 CCO[C@H]1CC[C@H](C1)C(=O)O c106c74419daa459f04264af8c285c7a [1,0,0,1,0,0|1,0,0]=3 4400 B11R1.124 COCN1CCC(C1)C(=O)O 0f848fb20f596af9f29e75b05c585e17 [1,0,0,1,0,0|2,0,0]=4 4401 B11R1.124 COCN1CC[C@@H](C1)C(=O)O a7b8cd2961f98448e733dfa697671537 [1,0,0,1,0,0|2,0,0]=4 4402 B11R1.124 COCN1CC[C@H](C1)C(=O)O 1173552c3a6a7886ab37dcbbacaac032 [1,0,0,1,0,0|2,0,0]=4 4403 B11R1.124 CSCN1CCC(C1)C(=O)O 3d5c042c339e4f3e07c4f45c260bd8ac [1,0,0,1,0,0|2,0,0]=4 4404 B11R1.124 CSCN1CC[C@@H](C1)C(=O)O 003dfd2012f78ff84a0d14b61c062183 [1,0,0,1,0,0|2,0,0]=4 4405 B11R1.124 CSCN1CC[C@H](C1)C(=O)O 2715e92b5b63e635e71f44d4716028f8 [1,0,0,1,0,0|2,0,0]=4 4406 B11R1.124 O=C(O)C1CCC(C1)NCF f70bd6be0a811088038783384e2678fe [1,0,0,1,0,0|2,0,0]=4 4407 B11R1.124 O=C(O)C1CCC(C1)NCO b62cc43cd18f972aad5899d0ce7ffaf7 [1,0,0,1,0,0|2,0,0]=4 4408 B11R1.124 O=C(O)C1CCC(C1)OCF b42fac8cdd540aaec6224c034d644860 [1,0,0,1,0,0|2,0,0]=4 4409 B11R1.124 O=C(O)C1CCN(C1)CCF 665242f64b2fb6751157e097834de387 [1,0,0,1,0,0|2,0,0]=4 4410 B11R1.124 O=C(O)C1CCN(C1)CCO 7fdb450b440bb8b33fafa5b534302657 [1,0,0,1,0,0|2,0,0]=4 4411 B11R1.124 O=C(O)C1CCN(C1)CCS 684369a156fc4b73696447dee7f31631 [1,0,0,1,0,0|2,0,0]=4 4412 B11R1.124 O=C(O)[C@@H]1CCN(C1)CCF 0f4ef53e14dcc90f56ff9a22d9c31e9e [1,0,0,1,0,0|2,0,0]=4 4413 B11R1.124 O=C(O)[C@@H]1CCN(C1)CCO 0e55f3e145890c2603667c5c8cb20d88 [1,0,0,1,0,0|2,0,0]=4 4414 B11R1.124 O=C(O)[C@@H]1CCN(C1)CCS 3b10c34d7e41daadf26a445d195d1ae0 [1,0,0,1,0,0|2,0,0]=4 4415 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCF 5ee6404c3a05b1240103486e8cdf10a5 [1,0,0,1,0,0|2,0,0]=4 4416 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)NCO 82a686ca772b5684edb3185fd2a0d8a4 [1,0,0,1,0,0|2,0,0]=4 4417 B11R1.124 O=C(O)[C@@H]1CC[C@@H](C1)OCF dd7a5586532f60bd8d0ac3ada6365f78 [1,0,0,1,0,0|2,0,0]=4 4418 B11R1.124 O=C(O)[C@@H]1CC[C@H](C1)NCF a2132214728792ab59f5c899c7eb5cb1 [1,0,0,1,0,0|2,0,0]=4 4419 B11R1.124 O=C(O)[C@@H]1CC[C@H](C1)NCO d8064306f12d5b451e799446c0b34e2c [1,0,0,1,0,0|2,0,0]=4 4420 B11R1.124 O=C(O)[C@@H]1CC[C@H](C1)OCF f60469806def02edb245481d43cfb5f3 [1,0,0,1,0,0|2,0,0]=4 4421 B11R1.124 O=C(O)[C@H]1CCN(C1)CCF af94c42b7a0180866aaf15493eaacda9 [1,0,0,1,0,0|2,0,0]=4 4422 B11R1.124 O=C(O)[C@H]1CCN(C1)CCO 62510ec389da0c8195aa16a13a341f1c [1,0,0,1,0,0|2,0,0]=4 4423 B11R1.124 O=C(O)[C@H]1CCN(C1)CCS e880f0d4ab950ede4b3ea118dc3a5ce5 [1,0,0,1,0,0|2,0,0]=4 4424 B11R1.124 O=C(O)[C@H]1CC[C@@H](C1)NCF 324581668bd1252f9d499fa9f1bc5fda [1,0,0,1,0,0|2,0,0]=4 4425 B11R1.124 O=C(O)[C@H]1CC[C@@H](C1)NCO 68924ecd7c6f43a3048d6b0091f65911 [1,0,0,1,0,0|2,0,0]=4 4426 B11R1.124 O=C(O)[C@H]1CC[C@@H](C1)OCF 0b99a6bed2cddfa2b5d66c7507850aa7 [1,0,0,1,0,0|2,0,0]=4 4427 B11R1.124 O=C(O)[C@H]1CC[C@H](C1)NCF 48d09c22177d0fe1fd197444e9522591 [1,0,0,1,0,0|2,0,0]=4 4428 B11R1.124 O=C(O)[C@H]1CC[C@H](C1)NCO 0b80b9625817ecf095056dd4f3c6ad92 [1,0,0,1,0,0|2,0,0]=4 4429 B11R1.124 O=C(O)[C@H]1CC[C@H](C1)OCF 0e591c7872c528a75d39be4e398a34cb [1,0,0,1,0,0|2,0,0]=4 4430 B11R1.135 CCCN1CCCC(=O)CC1 5d78a27b1115d294c02accd204f79118 [1,0,0,1,0,0|2,0,0]=4 4431 B11R1.135 CCCN1CCNC(=O)CC1 48ce520870f98876c5e1e95b092620e1 [1,0,0,1,0,0|2,0,0]=4 4432 B11R1.266 CCC1CCCN(C1)C(=O)C ca0d6e4dee631bdae567e46ba016b820 [1,0,0,1,0,0|2,0,0]=4 4433 B11R1.266 CCN1CCCC(C1)C(=O)C 7f617dfaecf8f7824e363c0d9143c28b [1,0,0,1,0,0|2,0,0]=4 4434 B11R1.266 CCN1CCCC(C1)C(=O)N daf15f0550ba6cb25300a7e580f13777 [1,0,0,1,0,0|2,0,0]=4 4435 B11R1.266 CCN1CCCC(C1)C(=O)O 28b1470d766111c2957be20a8d45d958 [1,0,0,1,0,0|1,0,0]=3 4436 B11R1.266 CCN1CCC[C@@H](C1)C(=O)N 936b687b6b771ab33dbd6480279f51dd [1,0,0,1,0,0|2,0,0]=4 4437 B11R1.266 CCN1CCC[C@@H](C1)C(=O)O 309277be4e0f7375cc336beae3e6ed94 [1,0,0,1,0,0|1,0,0]=3 4438 B11R1.266 CCN1CCC[C@H](C1)C(=O)N 33cc80d25913d6323816424dd8db6ab9 [1,0,0,1,0,0|2,0,0]=4 4439 B11R1.266 CCN1CCC[C@H](C1)C(=O)O 9b0c0dee0bedc13af0c6f07ce5fca89f [1,0,0,1,0,0|1,0,0]=3 4440 B11R1.266 CCN1CCOC(C1)C(=O)O 34facf27caa98f3dbb050c923a3afb82 [1,0,0,1,0,0|2,0,0]=4 4441 B11R1.266 CCN1CCO[C@@H](C1)C(=O)O 3cd80a8f6f95ce298149e65adb302c64 [1,0,0,1,0,0|2,0,0]=4 4442 B11R1.266 CCN1CCO[C@H](C1)C(=O)O c40e4634821f5b4937ef0c702c4fa2af [1,0,0,1,0,0|2,0,0]=4 4443 B11R1.266 CCN1CCSC(C1)C(=O)O 8c057df49dd6ae347f877cd7db74dcf1 [1,0,0,1,0,0|2,0,0]=4 4444 B11R1.266 O=C(O)C1CCCN(C1)CF ceed25d342cb3fc235399cbd8505d246 [1,0,0,1,0,0|2,0,0]=4 4445 B11R1.266 O=C(O)C1CCCN(C1)CO a381596e32adf8b77f4338b0827e1d91 [1,0,0,1,0,0|2,0,0]=4 4446 B11R1.266 O=C(O)[C@@H]1CCCN(C1)CF 98f4760baa1b091572c917aa1f6bbdfc [1,0,0,1,0,0|2,0,0]=4 4447 B11R1.266 O=C(O)[C@@H]1CCCN(C1)CO 8a48e3e9d2eb67d5157b280cd20198f9 [1,0,0,1,0,0|2,0,0]=4 4448 B11R1.266 O=C(O)[C@H]1CCCN(C1)CF 78111171e5e39d066ef68cc901a73060 [1,0,0,1,0,0|2,0,0]=4 4449 B11R1.266 O=C(O)[C@H]1CCCN(C1)CO a47d0df0535c253180a62abd6b0ecb6a [1,0,0,1,0,0|2,0,0]=4 4450 B11R1.271 CCC1CCN1CCC(=O)C 2eb3d64a6424be11c57adb2d9d33c690 [1,0,0,1,0,0|2,0,0]=4 4451 B11R1.271 CCC1CCN1CCC(=O)N b52b1099f53950a8574600ae99fde181 [1,0,0,1,0,0|2,0,0]=4 4452 B11R1.271 CCC1CCN1CCC(=O)O e84f612a7a039741c8f99fcd9bab3ae6 [1,0,0,1,0,0|1,0,0]=3 4453 B11R1.271 COC1CCC1NCC(=O)O 4933db14ea229d028f10490c9c7c72ac [1,0,0,1,0,0|2,0,0]=4 4454 B11R1.271 CO[C@@H]1CC[C@@H]1NCC(=O)O 0a353a67a7eed681fcba98cb46f6b1d9 [1,0,0,1,0,0|2,0,0]=4 4455 B11R1.271 CO[C@@H]1CC[C@H]1NCC(=O)O bb6af8ede02f35a5a29edacb5314e245 [1,0,0,1,0,0|2,0,0]=4 4456 B11R1.271 CO[C@H]1CC[C@@H]1NCC(=O)O f5f45b557e940712d10f9916457b51f6 [1,0,0,1,0,0|2,0,0]=4 4457 B11R1.271 CO[C@H]1CC[C@H]1NCC(=O)O f0c0c2eb71b3576250aab37a941b06cc [1,0,0,1,0,0|2,0,0]=4 4458 B11R1.271 O=C(O)CCN1CCC1CO ea2463413f834b147c87b16e9134e348 [1,0,0,1,0,0|2,0,0]=4 4459 B11R1.271 O=C(O)CCN1CC[C@@H]1CO 5c165e96e773bde8857c5442fea80352 [1,0,0,1,0,0|2,0,0]=4 4460 B11R1.271 O=C(O)CCN1CC[C@H]1CO 708578ba803e17bd08257a6a6b3f3b69 [1,0,0,1,0,0|2,0,0]=4 4461 B11R1.400 CCC1(CCC1)CNC(=O)C 9cc970773b5d88233f732033f778ab7a [1,0,0,1,0,0|2,0,0]=4 4462 B11R1.400 CCC1(CCC1)NCC(=O)N 53aa8f0bded5d1a0706f939d33ecab13 [1,0,0,1,0,0|2,0,0]=4 4463 B11R1.400 CCC1(CCC1)NCC(=O)O aefe238cffa85c48fcc0e7f25b1d08cb [1,0,0,1,0,0|1,0,0]=3 4464 B11R1.400 CCC1(COC1)NCC(=O)O 7d6e3fe991dff87b96eca8fb6c9f4d9c [1,0,0,1,0,0|2,0,0]=4 4465 B11R1.400 O=C(O)CNC1(CCC1)CO 6e8677e41364df3ade7ecba986b338a0 [1,0,0,1,0,0|2,0,0]=4 4466 B11R1.477 CC1C(CN1CCF)C(=O)O cad56d924c808209881bb58992a366ec [1,0,0,1,0,0|2,0,0]=4 4467 B11R1.477 CC1C(CN1CCO)C(=O)O 4022ee9e9b87fded2b77aa5179e6b4b1 [1,0,0,1,0,0|2,0,0]=4 4468 B11R1.477 CC1C(CN1CCS)C(=O)O b6b539cb28aef72504d791f59dc9a482 [1,0,0,1,0,0|2,0,0]=4 4469 B11R1.477 CCCN1CC(C1C)C(=O)O fcc7a4ffd7ee292f069c1560c5452734 [1,0,0,1,0,0|1,0,0]=3 4470 B11R1.477 CCCN1C[C@H]([C@@H]1C)C(=O)O 092259dd9e9225a95ead33283d3fc9d2 [1,0,0,1,0,0|1,0,0]=3 4471 B11R1.477 COCN1CC(C1C)C(=O)O 3157fac860bdebb264d251f15b6c94f8 [1,0,0,1,0,0|2,0,0]=4 4472 B11R1.477 COCN1C[C@H]([C@@H]1C)C(=O)O 745393a57cfb84444b86525744c71f4c [1,0,0,1,0,0|2,0,0]=4 4473 B11R1.477 CSCN1CC(C1C)C(=O)O 028f58e26aa9361329d2351cd65c25f9 [1,0,0,1,0,0|2,0,0]=4 4474 B11R1.477 CSCN1C[C@H]([C@@H]1C)C(=O)O d1e9dd05a1e9fe9717753ffd20b4e6f6 [1,0,0,1,0,0|2,0,0]=4 4475 B11R1.477 C[C@H]1[C@@H](CN1CCF)C(=O)O dc87b0bd784b27b10de75668426b5753 [1,0,0,1,0,0|2,0,0]=4 4476 B11R1.477 C[C@H]1[C@@H](CN1CCO)C(=O)O 877acc2c34b2069610e657727355d9d9 [1,0,0,1,0,0|2,0,0]=4 4477 B11R1.477 C[C@H]1[C@@H](CN1CCS)C(=O)O 20d823f7117b6cdef4e7f6df78c8dd71 [1,0,0,1,0,0|2,0,0]=4 4478 B11R1.792 CCCC1(CC1)NCC(=O)N 917d7b5fdb5ceb9d192bc18ce64c67fa [1,0,0,1,0,0|2,0,0]=4 4479 B11R1.792 CCCC1(CC1)NCC(=O)O 41b65424c7eaf43bd8a6c341c5a2b4fa [1,0,0,1,0,0|1,0,0]=3 4480 B11R1.792 CCOC1(CC1)OCC(=O)O 59d6dd9664a5a27264634be8b7c65ab2 [1,0,0,1,0,0|2,0,0]=4 4481 B11R1.792 COCC1(CC1)NCC(=O)O 4f9deab546d9c2fcc90b8eeb004a44d8 [1,0,0,1,0,0|2,0,0]=4 4482 B11R1.792 O=C(O)CNC1(CC1)CCO 41be8eb0eb64bc5e8400d1a8d441f865 [1,0,0,1,0,0|2,0,0]=4 4483 B11R1.811 CCC(NCC(=O)N)C1CC1 4b65e1453846100c5e46864e47fd1354 [1,0,0,1,0,0|2,0,0]=4 4484 B11R1.811 CCC(NCC(=O)O)C1CC1 70ad10817d2bcdbe088f02ff7b6ab0cd [1,0,0,1,0,0|1,0,0]=3 4485 B11R1.811 CCC(OCC(=O)N)C1CC1 91a4ff5d9d3a10e61108898119a33f70 [1,0,0,1,0,0|2,0,0]=4 4486 B11R1.811 CCC(OCC(=O)O)C1CC1 621aee527eaec0bc09462c6811eecb30 [1,0,0,1,0,0|1,0,0]=3 4487 B11R1.811 CCN(CCC(=O)C)C1CC1 c540629a7ca6e47fa229012e9270bd8f [1,0,0,1,0,0|2,0,0]=4 4488 B11R1.811 CCN(CCC(=O)N)C1CC1 03ac0c9cfae252181ea08074aeb324fb [1,0,0,1,0,0|2,0,0]=4 4489 B11R1.811 CCN(CCC(=O)O)C1CC1 77bf8cea57b2b013cb68f43806f42ae2 [1,0,0,1,0,0|1,0,0]=3 4490 B11R1.811 O=C(O)CCN(CF)C1CC1 9d311c75443ebbf2079a5988ed233391 [1,0,0,1,0,0|2,0,0]=4 4491 B11R1.811 O=C(O)CCN(CO)C1CC1 ca7d476c4f2ce0e285d187c105e1a9b3 [1,0,0,1,0,0|2,0,0]=4 4492 B11R1.811 O=C(O)CNC(CO)C1CC1 b9c5c0aa7833ce3ccab0c2f668aaf23e [1,0,0,1,0,0|2,0,0]=4 4493 B11R1.811 O=C(O)CN[C@@H](CO)C1CC1 b19c9e53110abd3da6e9a4dda300dd6e [1,0,0,1,0,0|2,0,0]=4 4494 B11R1.811 O=C(O)CN[C@H](CO)C1CC1 ef5d2b496740c68a2c880d2035541744 [1,0,0,1,0,0|2,0,0]=4 4495 B11R1.49 CC1CC(N(C1)CF)C(=O)O ed807f4d5e2c10e9511e12de15427deb [1,0,0,1,0,0|2,0,0]=4 4496 B11R1.49 CC1CC(N(C1)CO)C(=O)O c08087eec317cd391972a69628f3e822 [1,0,0,1,0,0|2,0,0]=4 4497 B11R1.49 CCN1CC(CC1C(=O)O)C bb01de55fbeb56537612f7a8bbc2cd94 [1,0,0,1,0,0|1,0,0]=3 4498 B11R1.49 CCN1CC(CC1C(=O)O)F f30e2ba42a43ffd3e580c8aa4989fb9f [1,0,0,1,0,0|2,0,0]=4 4499 B11R1.49 CCN1CC(CC1C(=O)O)O 019c8f069c80e5eb4a5a23fd0e7fc495 [1,0,0,1,0,0|2,0,0]=4 4500 B11R1.49 CCN1C[C@@H](C[C@@H]1C(=O)O)F 087e745286d29729b755eb808a075d7e [1,0,0,1,0,0|2,0,0]=4 4501 B11R1.49 CCN1C[C@@H](C[C@@H]1C(=O)O)O f2af1e03a8d3a059496973ee668b87a6 [1,0,0,1,0,0|2,0,0]=4 4502 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)O)F 5b20be64730953ac1b4ab7965a4f7425 [1,0,0,1,0,0|2,0,0]=4 4503 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)O)O 7e4cb7bc191462e3dbd9f5ad0511f76c [1,0,0,1,0,0|2,0,0]=4 4504 B11R1.49 CCN1C[C@H](C[C@@H]1C(=O)O)F 66354419b7a0c5d028f5abe161a04c8f [1,0,0,1,0,0|2,0,0]=4 4505 B11R1.49 CCN1C[C@H](C[C@@H]1C(=O)O)O c5a47a6ff3f43fab4dddd1318646fe82 [1,0,0,1,0,0|2,0,0]=4 4506 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)C b538ec52340da5598fc048f616de605d [1,0,0,1,0,0|1,0,0]=3 4507 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 61fd5632aa5ab884af2e5cecea6e949e [1,0,0,1,0,0|2,0,0]=4 4508 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O e999d6da7568d74f9ff9770757e40fa4 [1,0,0,1,0,0|2,0,0]=4 4509 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)S ebf3dd56d7c23a53361af035214b459d [1,0,0,1,0,0|2,0,0]=4 4510 B11R1.49 C[C@H]1C[C@H](N(C1)CF)C(=O)O 664778f63fd5d9111e187cfe95ee7aa6 [1,0,0,1,0,0|2,0,0]=4 4511 B11R1.49 C[C@H]1C[C@H](N(C1)CO)C(=O)O 6b154a4f914ec3b7dd98e9f25e782b88 [1,0,0,1,0,0|2,0,0]=4 4512 B11R1.86 CC(=O)NC1CCCCC1C 670701ef37830c881dfd98f284b6eaef [1,0,0,1,0,0|2,0,0]=4 4513 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1C 2bac565059009b92e61af1d1f0ba1ffd [1,0,0,1,0,0|2,0,0]=4 4514 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1C 479fb6aae9438e2010ab8b66de7f20cf [1,0,0,1,0,0|2,0,0]=4 4515 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1C 18a83c7bce0c6708eeacbe02f36aa7ad [1,0,0,1,0,0|2,0,0]=4 4516 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1C c4b6727756a1c9df9d0de80b9b0690de [1,0,0,1,0,0|2,0,0]=4 4517 B11R1.86 CC1CCCCN1CC(=O)N 95d8db6234d5d946df75a0454d896ca4 [1,0,0,1,0,0|2,0,0]=4 4518 B11R1.86 CC1CCCCN1CC(=O)O ae84160ac6931f8f66d20194a2549691 [1,0,0,1,0,0|1,0,0]=3 4519 B11R1.86 CC1COCCN1CC(=O)O 04398f858992d0a5d48457bf72a5c847 [1,0,0,1,0,0|2,0,0]=4 4520 B11R1.86 C[C@@H]1CCCCN1CC(=O)N 224870232655bdf8beec7ae59fbf7936 [1,0,0,1,0,0|2,0,0]=4 4521 B11R1.86 C[C@@H]1CCCCN1CC(=O)O e977167422de3a18af9f7c21c4b88fdb [1,0,0,1,0,0|1,0,0]=3 4522 B11R1.86 C[C@@H]1COCCN1CC(=O)O f9d4dbd75edeb208df3b04501111d275 [1,0,0,1,0,0|2,0,0]=4 4523 B11R1.86 C[C@H]1CCCCN1CC(=O)N eeecbfc2e69926c3df9a2ea739e8e528 [1,0,0,1,0,0|2,0,0]=4 4524 B11R1.86 C[C@H]1CCCCN1CC(=O)O b00078cb16b191d42880e0e45b0eac26 [1,0,0,1,0,0|1,0,0]=3 4525 B11R1.86 C[C@H]1COCCN1CC(=O)O f65b20d8f871f5dda28ee23351f4bc9f [1,0,0,1,0,0|2,0,0]=4 4526 B11R1.130 COC[C@@H]1C[C@@H]1NCC(=O)O 8a855f44292adb9bb1627cd62faafe14 [1,0,0,1,0,0|2,0,0]=4 4527 B11R1.130 COC[C@H]1C[C@@H]1NCC(=O)O 464c962d51a08e4a2bd3e6501c20c7ad [1,0,0,1,0,0|2,0,0]=4 4528 B11R1.211 CCCCN1CC(C1)C(=O)N 50df0c75689aacf8b4e19873fc874e7e [1,0,0,1,0,0|2,0,0]=4 4529 B11R1.211 CCCCN1CC(C1)C(=O)O 73bc4ec6b01038e14488a64800fdbbc3 [1,0,0,1,0,0|1,0,0]=3 4530 B11R1.211 CCCNC1CC(C1)C(=O)N 3d37a30879ab8b50d104ed0f2fbf8f54 [1,0,0,1,0,0|2,0,0]=4 4531 B11R1.211 CCCNC1CC(C1)C(=O)O 29dda0e0bc32fcf3a71b839c9e4aca29 [1,0,0,1,0,0|1,0,0]=3 4532 B11R1.211 CCCN[C@H]1C[C@@H](C1)C(=O)O 3e305c6a67a52de575ed63e03eec3027 [1,0,0,1,0,0|1,0,0]=3 4533 B11R1.211 CCCN[C@H]1C[C@H](C1)C(=O)O afe34fef7a04e44312974a640fbedb0e [1,0,0,1,0,0|1,0,0]=3 4534 B11R1.211 CCCOC1CC(C1)C(=O)C b87ed0fbec2d55a9d4a811ab0735f268 [1,0,0,1,0,0|2,0,0]=4 4535 B11R1.211 CCCOC1CC(C1)C(=O)N 6fd5120d4a3bec655ee956a252ff1e71 [1,0,0,1,0,0|2,0,0]=4 4536 B11R1.211 CCCOC1CC(C1)C(=O)O 308f84b7dbc7ebc370a27427dc6a8bfa [1,0,0,1,0,0|1,0,0]=3 4537 B11R1.211 CCCO[C@H]1C[C@@H](C1)C(=O)O 6dec96a9667b051b3b8963abef3d99d1 [1,0,0,1,0,0|1,0,0]=3 4538 B11R1.211 CCCO[C@H]1C[C@H](C1)C(=O)O 763f122554bd8c2d2d1a951974b1925a [1,0,0,1,0,0|1,0,0]=3 4539 B11R1.211 CCOCC1CC(C1)C(=O)O c36dd1afd899a93982a289ab245a6e1a [1,0,0,1,0,0|1,0,0]=3 4540 B11R1.211 CCOCN1CC(C1)C(=O)O 854ba164d12900a590c9f2169ea8b254 [1,0,0,1,0,0|2,0,0]=4 4541 B11R1.211 CCOC[C@H]1C[C@H](C1)C(=O)O a4b43b882cfc9361c05524cfe6d9bf95 [1,0,0,1,0,0|1,0,0]=3 4542 B11R1.211 COCCN1CC(C1)C(=O)O fc8e2880e527fee300aef617ddc4d2f5 [1,0,0,1,0,0|2,0,0]=4 4543 B11R1.211 COCNC1CC(C1)C(=O)O dda6898fa3e07180c8f1e4f2b8660862 [1,0,0,1,0,0|2,0,0]=4 4544 B11R1.211 COCN[C@H]1C[C@@H](C1)C(=O)O 8feef062a4400f5915f7309fa2ffadb4 [1,0,0,1,0,0|2,0,0]=4 4545 B11R1.211 COCN[C@H]1C[C@H](C1)C(=O)O b7f3c45a8f3e38df68505e1352aa0bf3 [1,0,0,1,0,0|2,0,0]=4 4546 B11R1.211 COCOC1CC(C1)C(=O)O 4969cbba7214c988db69f83e9fc2c0c0 [1,0,0,1,0,0|2,0,0]=4 4547 B11R1.211 COCO[C@H]1C[C@@H](C1)C(=O)O 277f14a6450ace53304936045c76b4d4 [1,0,0,1,0,0|2,0,0]=4 4548 B11R1.211 COCO[C@H]1C[C@H](C1)C(=O)O 64a52bf95ad17cbc8c13ffc3379004ac [1,0,0,1,0,0|2,0,0]=4 4549 B11R1.211 CSCCN1CC(C1)C(=O)O 6ce72d4d675e966cf9da0340429f868f [1,0,0,1,0,0|2,0,0]=4 4550 B11R1.211 CSCNC1CC(C1)C(=O)O 0f26f55c6a222acb41342a8a6dbd1f13 [1,0,0,1,0,0|2,0,0]=4 4551 B11R1.211 CSCN[C@H]1C[C@@H](C1)C(=O)O bd0033ea09e667ce95d17dd695d95948 [1,0,0,1,0,0|2,0,0]=4 4552 B11R1.211 CSCN[C@H]1C[C@H](C1)C(=O)O 2d06942ecb1fe4a7b9f6c9f78ca12940 [1,0,0,1,0,0|2,0,0]=4 4553 B11R1.211 CSCOC1CC(C1)C(=O)O cf5751a258bb92def456093bf4f14a8a [1,0,0,1,0,0|2,0,0]=4 4554 B11R1.211 CSCO[C@H]1C[C@@H](C1)C(=O)O 98c309145f8faf7798cd2ba2803c63f9 [1,0,0,1,0,0|2,0,0]=4 4555 B11R1.211 CSCO[C@H]1C[C@H](C1)C(=O)O cbf11d2216fbf3ce4fcecd7c9e17b1d2 [1,0,0,1,0,0|2,0,0]=4 4556 B11R1.211 O=C(O)C1CC(C1)COCF ee246bfdf5509dcc7efa9539c7b14f11 [1,0,0,1,0,0|2,0,0]=4 4557 B11R1.211 O=C(O)C1CC(C1)NCCBr 985c856fdb334c07660adbb808ea2229 [1,0,0,1,0,0|2,0,0]=4 4558 B11R1.211 O=C(O)C1CC(C1)NCCF b9cd634c776009be541c1e6465aa27db [1,0,0,1,0,0|2,0,0]=4 4559 B11R1.211 O=C(O)C1CC(C1)NCCI f07b848449db4c479f9cc46d97c9cee3 [1,0,0,1,0,0|2,0,0]=4 4560 B11R1.211 O=C(O)C1CC(C1)NCCO 74f53be074e7e23e6049d1ed16199c68 [1,0,0,1,0,0|2,0,0]=4 4561 B11R1.211 O=C(O)C1CC(C1)NCCS cf381c793ed3db1156cebd38663efd8f [1,0,0,1,0,0|2,0,0]=4 4562 B11R1.211 O=C(O)C1CC(C1)OCCF a2ef3f09d35ddc7eadf2528a2ba6aac6 [1,0,0,1,0,0|2,0,0]=4 4563 B11R1.211 O=C(O)C1CC(C1)OCCS 97f793145b0e5dd59cd53366a0b69903 [1,0,0,1,0,0|2,0,0]=4 4564 B11R1.211 O=C(O)C1CN(C1)CCCF 68020955ce55cd632504feaa299d8a69 [1,0,0,1,0,0|2,0,0]=4 4565 B11R1.211 O=C(O)C1CN(C1)CCCO b04ae3aaa22b29ca31dd47cd2546de11 [1,0,0,1,0,0|2,0,0]=4 4566 B11R1.211 O=C(O)C1CN(C1)CCCS 5b4b4e92997f9f38e3e8f053221b2342 [1,0,0,1,0,0|2,0,0]=4 4567 B11R1.211 O=C(O)[C@H]1C[C@@H](C1)NCCBr 79d55eeb34a74382419cb7fc351e8493 [1,0,0,1,0,0|2,0,0]=4 4568 B11R1.211 O=C(O)[C@H]1C[C@@H](C1)NCCF 9606ee877a58540368efe00259d66545 [1,0,0,1,0,0|2,0,0]=4 4569 B11R1.211 O=C(O)[C@H]1C[C@@H](C1)NCCI 0865b593c109cd734572383b5713ee00 [1,0,0,1,0,0|2,0,0]=4 4570 B11R1.211 O=C(O)[C@H]1C[C@@H](C1)NCCO 9074e0d77db9d4ff3c5dcedb8f9070cb [1,0,0,1,0,0|2,0,0]=4 4571 B11R1.211 O=C(O)[C@H]1C[C@@H](C1)NCCS e696648f509a05aaaeb2a5b00207f0f6 [1,0,0,1,0,0|2,0,0]=4 4572 B11R1.211 O=C(O)[C@H]1C[C@@H](C1)OCCF 134555a9199f5b46922e09a00da3a20f [1,0,0,1,0,0|2,0,0]=4 4573 B11R1.211 O=C(O)[C@H]1C[C@@H](C1)OCCS 7bf8d13351398302880b85d06f964ede [1,0,0,1,0,0|2,0,0]=4 4574 B11R1.211 O=C(O)[C@H]1C[C@H](C1)COCF 2b2cf793a8e79f6b0f44bfefcd4a0291 [1,0,0,1,0,0|2,0,0]=4 4575 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCBr 60f14f15cd6304ac1cad4c8e9941c3a9 [1,0,0,1,0,0|2,0,0]=4 4576 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCF 245e6a3633c6fb3aee5338a99632b5ca [1,0,0,1,0,0|2,0,0]=4 4577 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCI a538d33f4afb0ddec68e558babca8e88 [1,0,0,1,0,0|2,0,0]=4 4578 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCO 24f890fb80094a786144f3a0416234d8 [1,0,0,1,0,0|2,0,0]=4 4579 B11R1.211 O=C(O)[C@H]1C[C@H](C1)NCCS 781100df809d7733fab864eb94b87c4c [1,0,0,1,0,0|2,0,0]=4 4580 B11R1.211 O=C(O)[C@H]1C[C@H](C1)OCCF 166c35d83f0cda8a2be482c2628b6674 [1,0,0,1,0,0|2,0,0]=4 4581 B11R1.211 O=C(O)[C@H]1C[C@H](C1)OCCS 93ea6604e60f486cf8e8d65e00336e7e [1,0,0,1,0,0|2,0,0]=4 4582 B11R1.262 CCC1CN(C1)CCC(=O)C 8210da71d02294fb7acb23f6dc2a33e1 [1,0,0,1,0,0|2,0,0]=4 4583 B11R1.262 CCC1CN(C1)CCC(=O)N 3abc832d62193fc4ab50ea50e7356c4c [1,0,0,1,0,0|2,0,0]=4 4584 B11R1.262 CCC1CN(C1)CCC(=O)O 64ee6ad127402eadfd0b2c5af4ef7e5c [1,0,0,1,0,0|1,0,0]=3 4585 B11R1.262 CCN1CC(C1)NCC(=O)O 4046e7ae131288a4988c8bb07459665e [1,0,0,1,0,0|2,0,0]=4 4586 B11R1.262 CCN1CC(C1)OCC(=O)O fd64ee69d2db3794736e169283b46bcb [1,0,0,1,0,0|2,0,0]=4 4587 B11R1.262 COC1CC(C1)NCC(=O)O b8a35ddd7ff1ab946c85acdd5db4e908 [1,0,0,1,0,0|2,0,0]=4 4588 B11R1.262 COC1CC(C1)OCC(=O)O 234ea0a05b3f74d1735a3101aee3e7f0 [1,0,0,1,0,0|2,0,0]=4 4589 B11R1.262 COC1CN(C1)CCC(=O)O d27200421617f1d6231b1ede3b721e5c [1,0,0,1,0,0|2,0,0]=4 4590 B11R1.262 CO[C@H]1C[C@@H](C1)NCC(=O)O f32b845a1eba1715487fd48aab72d9b5 [1,0,0,1,0,0|2,0,0]=4 4591 B11R1.262 CO[C@H]1C[C@@H](C1)OCC(=O)O a33352500fe3b68e2ba35e1deb927be4 [1,0,0,1,0,0|2,0,0]=4 4592 B11R1.262 CO[C@H]1C[C@H](C1)NCC(=O)O 1e36757b3a9c88e16436ef6f956242dd [1,0,0,1,0,0|2,0,0]=4 4593 B11R1.262 CO[C@H]1C[C@H](C1)OCC(=O)O 1e87f9be1fa82824da103c23245b19a5 [1,0,0,1,0,0|2,0,0]=4 4594 B11R1.262 CSC1CN(C1)CCC(=O)O 11c94a4e59b8af417207edef782c2dd3 [1,0,0,1,0,0|2,0,0]=4 4595 B11R1.262 O=C(O)CCN1CC(C1)CF 3c7194afa5657b395b55ea47938c2dd1 [1,0,0,1,0,0|2,0,0]=4 4596 B11R1.262 O=C(O)CCN1CC(C1)CO 4218b03d048c30c8e5f0133f8906a623 [1,0,0,1,0,0|2,0,0]=4 4597 B11R1.262 O=C(O)CNC1CC(C1)CO 30b1ee61d8f6438fb3972d86362f2e3c [1,0,0,1,0,0|2,0,0]=4 4598 B11R1.262 O=C(O)CN[C@H]1C[C@@H](C1)CO 77a138c630bd29d86bf4915c8dfb1d68 [1,0,0,1,0,0|2,0,0]=4 4599 B11R1.262 O=C(O)CN[C@H]1C[C@H](C1)CO ce671a66baeb0225cda60241d35468dd [1,0,0,1,0,0|2,0,0]=4 4600 B11R1.262 O=C(O)CO[C@H]1C[C@H](C1)CF 3ed1cb63b087e24407bb0e82f052eb4c [1,0,0,1,0,0|2,0,0]=4 4601 B11R1.287 CCCOC(C)C1CC(=O)C1 c351b8ccb1348d632e9de14957b38db2 [1,0,0,1,0,0|2,0,0]=4 4602 B11R1.346 CC(=O)CCN(C)C1CCC1 d3d0fbbda87a196a8b0a8761f564dffb [1,0,0,1,0,0|2,0,0]=4 4603 B11R1.346 CC(CCC(=O)O)N1CCC1 a39da6a40d2393303848d30cb9807414 [1,0,0,1,0,0|1,0,0]=3 4604 B11R1.346 CC(NCC(=O)O)C1COC1 4f6d376575bb86697fa512a622694279 [1,0,0,1,0,0|2,0,0]=4 4605 B11R1.346 CC(OCC(=O)N)C1CCC1 1448e32c1cf479f8b1d13200c77c008e [1,0,0,1,0,0|2,0,0]=4 4606 B11R1.346 CC(OCC(=O)O)C1CCC1 066583baf102524e80d3fb738c8cd291 [1,0,0,1,0,0|1,0,0]=3 4607 B11R1.346 CC(OCC(=O)O)C1COC1 5f1e44eddaf9d925ba504959c238c7a3 [1,0,0,1,0,0|2,0,0]=4 4608 B11R1.346 CN(CCC(=O)N)C1CCC1 2c7886ebe34adf650001089d68be0590 [1,0,0,1,0,0|2,0,0]=4 4609 B11R1.346 CN(CCC(=O)O)C1CCC1 6ef6be795332f04c88b4384e7240321d [1,0,0,1,0,0|1,0,0]=3 4610 B11R1.346 CN(CCC(=O)O)C1COC1 2aacdef06b2aca9776b5b46d00975627 [1,0,0,1,0,0|2,0,0]=4 4611 B11R1.346 C[C@@H](NCC(=O)O)C1COC1 cdc8ba0e1f3e467f3bda3884f8121ac5 [1,0,0,1,0,0|2,0,0]=4 4612 B11R1.346 C[C@@H](OCC(=O)O)C1COC1 aa95b49f595689b7b675cae13aca7f18 [1,0,0,1,0,0|2,0,0]=4 4613 B11R1.346 C[C@H](NCC(=O)O)C1COC1 573a919372de2c478bd4a389d5ce5b42 [1,0,0,1,0,0|2,0,0]=4 4614 B11R1.346 C[C@H](OCC(=O)N)C1CCC1 592a1f2763f2b1875ec55779e1d63da6 [1,0,0,1,0,0|2,0,0]=4 4615 B11R1.346 C[C@H](OCC(=O)O)C1CCC1 371cce56e514d4f447c1b1d51b984e41 [1,0,0,1,0,0|1,0,0]=3 4616 B11R1.346 C[C@H](OCC(=O)O)C1COC1 4a1b86aa8aa99455506ba0cb5ec9990d [1,0,0,1,0,0|2,0,0]=4 4617 B11R1.348 CC(=O)CCN(C)CC1CC1 cffa0b25faed1114d48c260aefeed310 [1,0,0,1,0,0|2,0,0]=4 4618 B11R1.348 CC(CC1CC1)OCC(=O)N c377bc0c5739693658d38f9366a61880 [1,0,0,1,0,0|2,0,0]=4 4619 B11R1.348 CC(CC1CC1)OCC(=O)O 56344f8474d1c6d7aeaf5b9433db0195 [1,0,0,1,0,0|1,0,0]=3 4620 B11R1.348 CC(CCC(=O)O)NC1CC1 ff51874694037094f196227402af33f8 [1,0,0,1,0,0|1,0,0]=3 4621 B11R1.348 CC(CCC(=O)O)OC1CC1 5f6329becacf0035549eb9cf20483303 [1,0,0,1,0,0|1,0,0]=3 4622 B11R1.348 CN(CCC(=O)N)CC1CC1 bc96dbab8337e0494b7531d9c9148130 [1,0,0,1,0,0|2,0,0]=4 4623 B11R1.348 CN(CCC(=O)O)CC1CC1 66695affc9fd23d8bfab5a834a7d551e [1,0,0,1,0,0|1,0,0]=3 4624 B11R1.495 CC1CCC(N1CC(=O)N)C 32ebe3f11f3050d2e806e6b73f8cecb4 [1,0,0,1,0,0|2,0,0]=4 4625 B11R1.495 CC1CCC(N1CC(=O)O)C 82bc7be0c89ef26a48c8a8411ffd3a1d [1,0,0,1,0,0|1,0,0]=3 4626 B11R1.495 C[C@@H]1CC[C@@H](N1CC(=O)N)C edd1457aa065746c067a54b560d6e84c [1,0,0,1,0,0|2,0,0]=4 4627 B11R1.495 C[C@@H]1CC[C@@H](N1CC(=O)O)C 5676d19891f1f809a1f2098b1852797f [1,0,0,1,0,0|1,0,0]=3 4628 B11R1.495 C[C@@H]1CC[C@H](N1CC(=O)N)C fac4f2ade054ba223e5179f1bbe71046 [1,0,0,1,0,0|2,0,0]=4 4629 B11R1.495 C[C@@H]1CC[C@H](N1CC(=O)O)C 43b394afcf902173c0fe5924a5549fea [1,0,0,1,0,0|1,0,0]=3 4630 B11R1.495 C[C@H]1CC[C@@H](N1CC(=O)N)C e773f5175df50cbc1192a3f66a87622c [1,0,0,1,0,0|2,0,0]=4 4631 B11R1.495 C[C@H]1CC[C@@H](N1CC(=O)O)C 7a069bfb7b0f52710893d2913f049174 [1,0,0,1,0,0|1,0,0]=3 4632 B11R1.596 CCCN1[C@@H](C[C@H]1C(=O)O)C e9bf2cd816048fe2d577d41a5c1316c8 [1,0,0,1,0,0|1,0,0]=3 4633 B11R1.596 CCCN1[C@H](C[C@H]1C(=O)O)C fa5846fd21d11da0f874e40ce9c7394d [1,0,0,1,0,0|1,0,0]=3 4634 B11R1.596 COCN1[C@@H](C[C@H]1C(=O)O)C 30f021203d2d51dc1615f87ccab23291 [1,0,0,1,0,0|2,0,0]=4 4635 B11R1.596 COCN1[C@H](C[C@H]1C(=O)O)C 303b410731ff2672a4f4dc5117474575 [1,0,0,1,0,0|2,0,0]=4 4636 B11R1.596 CSCN1[C@@H](C[C@H]1C(=O)O)C e967d89135b59b618868ac5d5fab19ba [1,0,0,1,0,0|2,0,0]=4 4637 B11R1.596 CSCN1[C@H](C[C@H]1C(=O)O)C d78072030d33eb0d5c1ab6f824bb9b99 [1,0,0,1,0,0|2,0,0]=4 4638 B11R1.596 C[C@@H]1C[C@H](N1CCF)C(=O)O 95d99db88ae23a608a6d6e5363e48f2d [1,0,0,1,0,0|2,0,0]=4 4639 B11R1.596 C[C@@H]1C[C@H](N1CCO)C(=O)O 9d574833a29b02074d4c6bf80e030034 [1,0,0,1,0,0|2,0,0]=4 4640 B11R1.596 C[C@@H]1C[C@H](N1CCS)C(=O)O 50e4e270d6a4c9150352fec56ac7d217 [1,0,0,1,0,0|2,0,0]=4 4641 B11R1.596 C[C@H]1C[C@H](N1CCF)C(=O)O 9862afad869e9c675c57b403593b2423 [1,0,0,1,0,0|2,0,0]=4 4642 B11R1.596 C[C@H]1C[C@H](N1CCO)C(=O)O 4de8a7a886f7e87260f0a975790724ba [1,0,0,1,0,0|2,0,0]=4 4643 B11R1.596 C[C@H]1C[C@H](N1CCS)C(=O)O 2485d48d8ab075a6a830e505d9d2e9ec [1,0,0,1,0,0|2,0,0]=4 4644 B11R1.713 CC(=O)NCC1(CCCC1)C 49068df105a1e0093927b3a155969870 [1,0,0,1,0,0|2,0,0]=4 4645 B11R1.713 CC1(CCCC1)NCC(=O)N 188a976641cb74fa33aa33f47b857a55 [1,0,0,1,0,0|2,0,0]=4 4646 B11R1.713 CC1(CCCC1)NCC(=O)O 3d28367f00bcd012127894952d69c332 [1,0,0,1,0,0|1,0,0]=3 4647 B11R1.713 CC1(CCOC1)NCC(=O)O dd7f7fb7a6381790aa5df5e1eb3bf209 [1,0,0,1,0,0|2,0,0]=4 4648 B11R1.914 CCNCC1(CCC(=O)N1)C 85b0298ae72af079ef08db8bb31ac9e0 [1,0,0,1,0,0|2,0,0]=4 4649 B11R1.914 CCOCC1(CCC(=O)N1)C 0eab6de5a033de74da0fd9d37ebf2770 [1,0,0,1,0,0|2,0,0]=4 4650 B11R1.20 CC(=O)NC1CCC(CC1)C d5b9c289f55164a8ef9fd28f678cff26 [0,0,0,1,1,0|2,0,0]=4 4651 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 59946d0e4761e996c325795030cfdc0f [0,0,0,1,1,0|2,0,0]=4 4652 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)C d5b4032d8a2c96d43aa13ec6b6d114f1 [0,0,0,1,1,0|2,0,0]=4 4653 B11R1.20 CC1CCN(CC1)CC(=O)N e51773513c259e0ba8166eb692234b4f [0,0,0,1,1,0|2,0,0]=4 4654 B11R1.20 CC1CCN(CC1)CC(=O)O 0cfccb1a2bc1a6f8707bd97ee1053b02 [0,0,0,1,1,0|1,0,0]=3 4655 B11R1.20 CN1CCN(CC1)CC(=O)O fbfc2896ff525f4ad8a2a6f239939d1d [0,0,0,1,1,0|2,0,0]=4 4656 B11R1.20 O=C(O)CN1CCC(CC1)Cl 58b5258937731364e0182785d9f081ff [0,0,0,1,1,0|2,0,0]=4 4657 B11R1.20 O=C(O)CN1CCC(CC1)F 50d18fd3934ce11ce38e1169b8b3fe71 [0,0,0,1,1,0|2,0,0]=4 4658 B11R1.20 O=C(O)CN1CCC(CC1)I fe70957de077460daf6d69dd4dce1c41 [0,0,0,1,1,0|2,0,0]=4 4659 B11R1.20 O=C(O)CN1CCC(CC1)O 42e521bd1703ae610f177660fc9f9a05 [0,0,0,1,1,0|2,0,0]=4 4660 B11R1.24 CCCCN1CCCC(=O)C1 ab5d5aa4c692d5c921210400e463a35c [0,0,0,1,1,0|2,0,0]=4 4661 B11R1.24 CCCCN1CCNC(=O)C1 c67c01d1a07bdda5d18b7096d1b290cd [0,0,0,1,1,0|2,0,0]=4 4662 B11R1.24 CCCCN1CCOC(=O)C1 3f4af70ed351ba7dae5c4daa38dbbec5 [0,0,0,1,1,0|1,0,0]=3 4663 B11R1.24 CCCNC1CCCC(=O)C1 f78a901451b50e451bf018305d12a0cc [0,0,0,1,1,0|2,0,0]=4 4664 B11R1.24 CCCNC1CCNC(=O)C1 ff447769b3400ca9cfacfb0d558a8376 [0,0,0,1,1,0|2,0,0]=4 4665 B11R1.24 CCCN[C@@H]1CCNC(=O)C1 aa286dce50ef181bcbf1d9471bf48bde [0,0,0,1,1,0|2,0,0]=4 4666 B11R1.24 CCCN[C@H]1CCNC(=O)C1 5f93ac4d81551bd3f26157e304a8d35a [0,0,0,1,1,0|2,0,0]=4 4667 B11R1.24 CCCOC1CCCC(=O)C1 3a62b9596446c853f594c7714567c6fa [0,0,0,1,1,0|2,0,0]=4 4668 B11R1.24 CCCOC1CCNC(=O)C1 65105623f5191c21e4a7be8acdaca72e [0,0,0,1,1,0|2,0,0]=4 4669 B11R1.24 CCCO[C@@H]1CCNC(=O)C1 5bf264179db23a8df067b0bd13e7f763 [0,0,0,1,1,0|2,0,0]=4 4670 B11R1.24 CCCO[C@H]1CCNC(=O)C1 60cfa443462ad68a1346c33be32ed63f [0,0,0,1,1,0|2,0,0]=4 4671 B11R1.24 CCNCC1CCNC(=O)C1 c3ba1d2c37b362a2a269506588505c2c [0,0,0,1,1,0|2,0,0]=4 4672 B11R1.24 CCOCC1CCCC(=O)C1 59f3485ad485a6e1d97c966f04f592f9 [0,0,0,1,1,0|2,0,0]=4 4673 B11R1.24 CCOCC1CCNC(=O)C1 dfdbdc0d66883705877010ad07aa3ee3 [0,0,0,1,1,0|2,0,0]=4 4674 B11R1.24 COCCN1CCOC(=O)C1 48cd317e0da8ac0af5c99dd696c63c7e [0,0,0,1,1,0|2,0,0]=4 4675 B11R1.24 CSCCN1CCOC(=O)C1 ad9a15dfad0d9af2fbc2fb9444405146 [0,0,0,1,1,0|2,0,0]=4 4676 B11R1.24 O=C1CN(CCO1)CCCF 6f9987bb2f6044d7d61b864ecbad8227 [0,0,0,1,1,0|2,0,0]=4 4677 B11R1.24 O=C1CN(CCO1)CCCO 796862f264321dbe5332650e51684547 [0,0,0,1,1,0|2,0,0]=4 4678 B11R1.24 O=C1CN(CCO1)CCCS b8332bc92041afc87287c1235c58569f [0,0,0,1,1,0|2,0,0]=4 4679 B11R1.43 CCC1CCN(C1)CC(=O)N cab0f9c61b28805da68407bb288596ed [0,0,0,1,1,0|2,0,0]=4 4680 B11R1.43 CCC1CCN(C1)CC(=O)O 9690f2dfaca85f7a0ce56b7e044c5b8a [0,0,0,1,1,0|1,0,0]=3 4681 B11R1.43 CCN1CCC(C1)CC(=O)N 0e96a6e0b498f58561bc8286c7ffbdc7 [0,0,0,1,1,0|2,0,0]=4 4682 B11R1.43 CCN1CCC(C1)CC(=O)O 9a4d6f974fcf43de59c2b3a87bc735a1 [0,0,0,1,1,0|1,0,0]=3 4683 B11R1.43 CCN1CC[C@@H](C1)CC(=O)N 765c981839ffd6257d0e0ec31b5d6a20 [0,0,0,1,1,0|2,0,0]=4 4684 B11R1.43 CCN1CC[C@@H](C1)CC(=O)O ca371da52f8bca25131a8bfd61221ea4 [0,0,0,1,1,0|1,0,0]=3 4685 B11R1.43 CCN1CC[C@H](C1)CC(=O)N 51a84c5b248f6d78a5fae86fcd0bb5cd [0,0,0,1,1,0|2,0,0]=4 4686 B11R1.43 CCN1CC[C@H](C1)CC(=O)O 2395fde41491f3d276fac5e643a60c83 [0,0,0,1,1,0|1,0,0]=3 4687 B11R1.43 COC1CCN(C1)CC(=O)O 6083ce7a0b9522f109b6d8f919900128 [0,0,0,1,1,0|2,0,0]=4 4688 B11R1.43 CO[C@@H]1CCN(C1)CC(=O)O b1391ea6e3d1dd537bd89583f97b73b6 [0,0,0,1,1,0|2,0,0]=4 4689 B11R1.43 CO[C@H]1CCN(C1)CC(=O)O 0ca1691839d3e46ac2e3839c60693c12 [0,0,0,1,1,0|2,0,0]=4 4690 B11R1.43 O=C(O)CC1CCN(C1)CF fe231ed13461e08b2902edfbf36d0c32 [0,0,0,1,1,0|2,0,0]=4 4691 B11R1.43 O=C(O)CC1CCN(C1)CO f31a0e4253eab7b45ed40735f7768c93 [0,0,0,1,1,0|2,0,0]=4 4692 B11R1.43 O=C(O)CN1CCC(C1)CO 36dd509de7954fe1cf0c2c128435caf0 [0,0,0,1,1,0|2,0,0]=4 4693 B11R1.43 O=C(O)CN1CC[C@@H](C1)CO 30613f725558b003d2be78c9f250f22c [0,0,0,1,1,0|2,0,0]=4 4694 B11R1.43 O=C(O)CN1CC[C@H](C1)CO cfad40c8aed35facc8af44b375b5cdd5 [0,0,0,1,1,0|2,0,0]=4 4695 B11R1.43 O=C(O)C[C@@H]1CCN(C1)CF c009fae5e7986accff111add336cb888 [0,0,0,1,1,0|2,0,0]=4 4696 B11R1.43 O=C(O)C[C@@H]1CCN(C1)CO d84441fe358f54853b1ea97dcd34b178 [0,0,0,1,1,0|2,0,0]=4 4697 B11R1.43 O=C(O)C[C@H]1CCN(C1)CF 28dbb91f638fc0fae76189f87c0064d1 [0,0,0,1,1,0|2,0,0]=4 4698 B11R1.43 O=C(O)C[C@H]1CCN(C1)CO 8d5fdbb959aecd0f4edc23345aa2aa30 [0,0,0,1,1,0|2,0,0]=4 4699 B11R1.53 CCC1CCCCN1C(=O)C 8d91af042ec3ee454d245c12958ebfeb [0,0,0,1,1,0|2,0,0]=4 4700 B11R1.53 CCN1CCCCC1C(=O)C 66e745e3acee9cfa447bccc577764815 [0,0,0,1,1,0|2,0,0]=4 4701 B11R1.53 CCN1CCCCC1C(=O)N 00aa29d87fd7cc18aead98e4fddba9f3 [0,0,0,1,1,0|2,0,0]=4 4702 B11R1.53 CCN1CCCCC1C(=O)O 48e64a80b74ee0d57ef5f2c51793a0e0 [0,0,0,1,1,0|1,0,0]=3 4703 B11R1.53 CCN1CCCC[C@@H]1C(=O)N d88b4e4bdd088665793e230ad88658f8 [0,0,0,1,1,0|2,0,0]=4 4704 B11R1.53 CCN1CCCC[C@@H]1C(=O)O ffabe4d2c3400a07ec9d9a1b02445d18 [0,0,0,1,1,0|1,0,0]=3 4705 B11R1.53 CCN1CCCC[C@H]1C(=O)N 5ef3247fbd176524430d9698606233d1 [0,0,0,1,1,0|2,0,0]=4 4706 B11R1.53 CCN1CCCC[C@H]1C(=O)O bfa902a3d396d93371caf449fec9a938 [0,0,0,1,1,0|1,0,0]=3 4707 B11R1.53 CCN1CCCSC1C(=O)O 714ab7d5f47ac73dbab4bf4e7ca0563f [0,0,0,1,1,0|2,0,0]=4 4708 B11R1.53 CCN1CCOCC1C(=O)O 4e8e486d19bce548ce5dcd44da88bf93 [0,0,0,1,1,0|2,0,0]=4 4709 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 29a626e348d78eb3932bfc1fc9125b04 [0,0,0,1,1,0|2,0,0]=4 4710 B11R1.53 CCN1CCOC[C@H]1C(=O)O fc40095b000bc9c3ac27524d64195911 [0,0,0,1,1,0|2,0,0]=4 4711 B11R1.53 CCN1CCSCC1C(=O)O d27fac1ccb72015ed59835c66ff0e5b1 [0,0,0,1,1,0|2,0,0]=4 4712 B11R1.53 CCN1CCSC[C@@H]1C(=O)O 98b6db6175552733deff2eab6f15041f [0,0,0,1,1,0|2,0,0]=4 4713 B11R1.53 CCN1CCSC[C@H]1C(=O)O 20d7734a9f8d49660c707d7b8bbe747d [0,0,0,1,1,0|2,0,0]=4 4714 B11R1.53 CC[C@@H]1CCCCN1C(=O)C 6739e20465d74f218273c8bb16bd22bb [0,0,0,1,1,0|2,0,0]=4 4715 B11R1.53 CC[C@H]1CCCCN1C(=O)C 3f882d1db31c87fd415fbe582bfecb93 [0,0,0,1,1,0|2,0,0]=4 4716 B11R1.53 O=C(O)C1CCCCN1CF 34780400456104861d4e67d872dd68cc [0,0,0,1,1,0|2,0,0]=4 4717 B11R1.53 O=C(O)C1CCCCN1CO 830196dd603a43de36b162d205ac7bc0 [0,0,0,1,1,0|2,0,0]=4 4718 B11R1.53 O=C(O)[C@@H]1CCCCN1CF b60cc8661b897ad6dadfa25aed592a67 [0,0,0,1,1,0|2,0,0]=4 4719 B11R1.53 O=C(O)[C@@H]1CCCCN1CO 1797d9998a13c93a688e0dced50d88f8 [0,0,0,1,1,0|2,0,0]=4 4720 B11R1.53 O=C(O)[C@H]1CCCCN1CF ed9720e01c313c693f0b3f314ea15507 [0,0,0,1,1,0|2,0,0]=4 4721 B11R1.53 O=C(O)[C@H]1CCCCN1CO ae5de522198bb26e4b7ecb78dfb11746 [0,0,0,1,1,0|2,0,0]=4 4722 B11R1.204 CCCCN1CCC1C(=O)N 877ac2bccbf172ba801d482f60930910 [0,0,0,1,1,0|2,0,0]=4 4723 B11R1.204 CCCCN1CCC1C(=O)O 8298e08b6554f3fe7f1b8d755279c31e [0,0,0,1,1,0|1,0,0]=3 4724 B11R1.204 CCCCN1CC[C@@H]1C(=O)N 698612b63b467f62d6160e592acb5d0d [0,0,0,1,1,0|2,0,0]=4 4725 B11R1.204 CCCCN1CC[C@@H]1C(=O)O 7dd5a4d96c5dcd3d04108d2107d57ba8 [0,0,0,1,1,0|1,0,0]=3 4726 B11R1.204 CCCCN1CC[C@H]1C(=O)N cfb37d0d4e40d97136aac0b0c233ad5e [0,0,0,1,1,0|2,0,0]=4 4727 B11R1.204 CCCCN1CC[C@H]1C(=O)O b7bbf6011c4c86be157fa03063191389 [0,0,0,1,1,0|1,0,0]=3 4728 B11R1.204 CCCN[C@H]1CC[C@H]1C(=O)O e4c0c939806a7fd20a2d3b482bededef [0,0,0,1,1,0|1,0,0]=3 4729 B11R1.204 CCCOC1CCC1C(=O)O 00da8a733746f7d0f18d57eb19dd8dae [0,0,0,1,1,0|1,0,0]=3 4730 B11R1.204 CCCO[C@H]1CC[C@@H]1C(=O)O 465aae9b3e97cc4fb1e524e0e4f66fde [0,0,0,1,1,0|1,0,0]=3 4731 B11R1.204 CCOCN1CCC1C(=O)O 1082aae0c80b04ed01c2e8e11ee2099e [0,0,0,1,1,0|2,0,0]=4 4732 B11R1.204 CCOCN1CC[C@@H]1C(=O)O 1a5808a5bd29b3511a14abf6ee30c58f [0,0,0,1,1,0|2,0,0]=4 4733 B11R1.204 CCOCN1CC[C@H]1C(=O)O 88a54b5a680f30a6259ea166d8497aba [0,0,0,1,1,0|2,0,0]=4 4734 B11R1.204 COCCN1CCC1C(=O)O 56675e5814972a2b0d0da18af4af4462 [0,0,0,1,1,0|2,0,0]=4 4735 B11R1.204 COCCN1CC[C@@H]1C(=O)O 0dbffcbf24fd1586d18424c150ea729f [0,0,0,1,1,0|2,0,0]=4 4736 B11R1.204 COCCN1CC[C@H]1C(=O)O ca0ff058d612df76c282b60ae15ee576 [0,0,0,1,1,0|2,0,0]=4 4737 B11R1.204 COCN[C@H]1CC[C@H]1C(=O)O 24c84c1d9d0b38103c48fb7577512e26 [0,0,0,1,1,0|2,0,0]=4 4738 B11R1.204 COCOC1CCC1C(=O)O 7e43d31a45af1556e5229ea5b7eccf77 [0,0,0,1,1,0|2,0,0]=4 4739 B11R1.204 COCO[C@H]1CC[C@@H]1C(=O)O 4a01439e82e68762e89a4a3a3734ea3e [0,0,0,1,1,0|2,0,0]=4 4740 B11R1.204 CSCCN1CCC1C(=O)O 24a328aab7f0acda4694e92de8fcc9fa [0,0,0,1,1,0|2,0,0]=4 4741 B11R1.204 CSCCN1CC[C@@H]1C(=O)O d49edfb710d3a14b178e6dcde8378cfd [0,0,0,1,1,0|2,0,0]=4 4742 B11R1.204 CSCCN1CC[C@H]1C(=O)O 40bc2c45cc79a5cd402770dbcfca85a4 [0,0,0,1,1,0|2,0,0]=4 4743 B11R1.204 CSCN[C@H]1CC[C@H]1C(=O)O f26a0e641c5312f177e8d592147df5a6 [0,0,0,1,1,0|2,0,0]=4 4744 B11R1.204 CSCOC1CCC1C(=O)O 4a3596f56659070cc249c9b3ffb95538 [0,0,0,1,1,0|2,0,0]=4 4745 B11R1.204 CSCO[C@H]1CC[C@@H]1C(=O)O efda73396f8b5f4ef03e75bec5ec0e69 [0,0,0,1,1,0|2,0,0]=4 4746 B11R1.204 O=C(O)C1CCC1OCCF 6e49fc4f6d909158676d8d0e4af11484 [0,0,0,1,1,0|2,0,0]=4 4747 B11R1.204 O=C(O)C1CCC1OCCS 67b0593f569b8a7f366dc7714de420f3 [0,0,0,1,1,0|2,0,0]=4 4748 B11R1.204 O=C(O)C1CCN1CCCF 4ac2b68dcdb0bc7b8337bcf1271174d7 [0,0,0,1,1,0|2,0,0]=4 4749 B11R1.204 O=C(O)C1CCN1CCCO 8ab43805cb260b789eac396b2be4c346 [0,0,0,1,1,0|2,0,0]=4 4750 B11R1.204 O=C(O)C1CCN1CCCS dc3a33800184bdff4f9a34d8a473ab63 [0,0,0,1,1,0|2,0,0]=4 4751 B11R1.204 O=C(O)[C@@H]1CCN1CCCF 64813008ddf3a84f2a100959df402bfb [0,0,0,1,1,0|2,0,0]=4 4752 B11R1.204 O=C(O)[C@@H]1CCN1CCCO 79f7864e57e0122c81d71b3ae96f24ad [0,0,0,1,1,0|2,0,0]=4 4753 B11R1.204 O=C(O)[C@@H]1CCN1CCCS f91321534c17abdfc2e3e64859713cc0 [0,0,0,1,1,0|2,0,0]=4 4754 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCF 8dd71a99c1f8db750de649e7fa44294b [0,0,0,1,1,0|2,0,0]=4 4755 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCO 368174207c83a8cd03c05cf6ac29c1ce [0,0,0,1,1,0|2,0,0]=4 4756 B11R1.204 O=C(O)[C@@H]1CC[C@@H]1NCCS e0b833a28c1a0f8db0bfd58408f055e1 [0,0,0,1,1,0|2,0,0]=4 4757 B11R1.204 O=C(O)[C@H]1CCN1CCCF 07b70b85d8c145c1e6de616d4dbbead0 [0,0,0,1,1,0|2,0,0]=4 4758 B11R1.204 O=C(O)[C@H]1CCN1CCCO 1850db7d506395b58e97215892097e17 [0,0,0,1,1,0|2,0,0]=4 4759 B11R1.204 O=C(O)[C@H]1CCN1CCCS 9d215c744a1baf1f9f8cebc6889c92c9 [0,0,0,1,1,0|2,0,0]=4 4760 B11R1.204 O=C(O)[C@H]1CC[C@@H]1OCCF 273ca64d1a4c67ba8ca725f93fb9f403 [0,0,0,1,1,0|2,0,0]=4 4761 B11R1.204 O=C(O)[C@H]1CC[C@@H]1OCCS d98a4cf740a6eee3e5adcd6088eb707e [0,0,0,1,1,0|2,0,0]=4 4762 B11R1.230 CCCOC1CC(=O)NC1C c5c406f203ed81ae39e47ce40a0e031c [0,0,0,1,1,0|2,0,0]=4 4763 B11R1.230 CCCO[C@H]1CC(=O)N[C@H]1C ca5a204547cca2003339d3c4c033a35c [0,0,0,1,1,0|2,0,0]=4 4764 B11R1.313 CC1C(CCN1CC(=O)O)O 027f7a9d3e364d40f593f2ca6063316d [0,0,0,1,1,0|2,0,0]=4 4765 B11R1.313 C[C@@H]1[C@@H](CCN1CC(=O)O)O cc6ac21c98b705816d21ff94a7475db9 [0,0,0,1,1,0|2,0,0]=4 4766 B11R1.313 C[C@H]1[C@H](CCN1CC(=O)O)O bf39d673616a4042c12a9618547d11c0 [0,0,0,1,1,0|2,0,0]=4 4767 B11R1.471 CCN1CCC(C1C(=O)O)O b5306d3a9dd1fbfa677739816206b6c0 [0,0,0,1,1,0|2,0,0]=4 4768 B11R1.471 CCN1CC[C@@H]([C@@H]1C(=O)O)F 712b216f100f6dff8cb2340acbbadb3a [0,0,0,1,1,0|2,0,0]=4 4769 B11R1.471 CCN1CC[C@@H]([C@@H]1C(=O)O)O 903e1b97194c67789b3f53248d5c86c9 [0,0,0,1,1,0|2,0,0]=4 4770 B11R1.471 CCN1CC[C@@H]([C@H]1C(=O)O)C 4c7d5fe1a9c02bf6718ced526a6d8c5f [0,0,0,1,1,0|1,0,0]=3 4771 B11R1.471 CCN1CC[C@@H]([C@H]1C(=O)O)O b4264395e1ed292f688c5d6214d088f5 [0,0,0,1,1,0|2,0,0]=4 4772 B11R1.471 CCN1CC[C@H]([C@@H]1C(=O)O)O 1ce074ebf1b97b1b94473395b5c89119 [0,0,0,1,1,0|2,0,0]=4 4773 B11R1.471 CCN1CC[C@H]([C@H]1C(=O)O)F a69791ff660973614ab93a334a49424c [0,0,0,1,1,0|2,0,0]=4 4774 B11R1.471 CCN1CC[C@H]([C@H]1C(=O)O)O ab7ac0db3889e4f92e513d0338572d91 [0,0,0,1,1,0|2,0,0]=4 4775 B11R1.471 C[C@H]1CCN([C@@H]1C(=O)O)CF 0e13e3ac52ceeba6de721b16460929a7 [0,0,0,1,1,0|2,0,0]=4 4776 B11R1.471 C[C@H]1CCN([C@@H]1C(=O)O)CO a9fb8bc6716565541786da607d253625 [0,0,0,1,1,0|2,0,0]=4 4777 B11R1.742 CC(=O)NC1CCCCCC1 980c21986259e09356273dbf1a23f9df [0,0,0,1,1,0|2,0,0]=4 4778 B11R1.742 NC(=O)CN1CCCCCC1 3c6bdaed56195046700c5f9a02a73e34 [0,0,0,1,1,0|2,0,0]=4 4779 B11R1.742 O=C(O)CN1CCCCCC1 d9f9edaddb25360088e69733dfba1666 [0,0,0,1,1,0|1,0,0]=3 4780 B11R1.742 O=C(O)CN1CCCOCC1 621646c1635481e8abe6c4a7848bde48 [0,0,0,1,1,0|2,0,0]=4 4781 B11R1.751 CCN(CC(=O)N)C1CCC1 97d7161bfbe507c86b3e6c697aef8557 [0,0,0,1,1,0|2,0,0]=4 4782 B11R1.751 CCN(CC(=O)O)C1CCC1 271a010f83a8de72be4af5cc30ced9bc [0,0,0,1,1,0|1,0,0]=3 4783 B11R1.751 CCN(CC(=O)O)C1COC1 f1daa0cdac7a14236b77f6afafae69d0 [0,0,0,1,1,0|2,0,0]=4 4784 B11R1.751 CCN(CC(=O)O)C1CSC1 65d2acd82a26cfaaad9860501e2e48e1 [0,0,0,1,1,0|2,0,0]=4 4785 B11R1.918 CCOCC1(CC1)CC(=O)O 284f1fc3fc8a4cab1c67f94bab66e0c6 [0,0,0,1,1,0|1,0,0]=3 4786 B11R1.918 O=C(O)CC1(CC1)COCF 07294e1ea8b5505c09a2dbae6fd62622 [0,0,0,1,1,0|2,0,0]=4 4787 B11R1.980 CCC1CN([C@@H]1C(=O)O)CC 137a3574f8e5eb506ad82b5194eb7271 [0,0,0,1,1,0|1,0,0]=3 4788 B11R1.980 CCC1CN([C@@H]1C(=O)O)CF bbc7cb9bec6e7c27272479dfeea318e4 [0,0,0,1,1,0|2,0,0]=4 4789 B11R1.980 CCC1CN([C@@H]1C(=O)O)CO d416731cc28045808ac71e1a08a4fd5c [0,0,0,1,1,0|2,0,0]=4 4790 B11R1.1032 CCC(CC(=O)O)NC1CC1 3247c5377476baee31b717bfe540797c [0,0,0,1,1,0|1,0,0]=3 4791 B11R1.1032 CCN(CC(=O)N)CC1CC1 eb678adb1926014d723f2fc49c3677f3 [0,0,0,1,1,0|2,0,0]=4 4792 B11R1.1032 CCN(CC(=O)O)CC1CC1 c548db9a360d806f4c7c04d6b6c4d9e1 [0,0,0,1,1,0|1,0,0]=3 4793 B11R1.1032 CC[C@@H](CC(=O)O)NC1CC1 2df61c203c5796d49d6d12af9371d64b [0,0,0,1,1,0|1,0,0]=3 4794 B11R1.1032 CC[C@H](CC(=O)O)NC1CC1 38d65e01536dd2e7d5efaea0191341af [0,0,0,1,1,0|1,0,0]=3 4795 B11R1.1032 O=C(O)CC(CO)NC1CC1 a41d9085fa7ca05b602b1c32c721f711 [0,0,0,1,1,0|2,0,0]=4 4796 B11R1.1032 O=C(O)C[C@@H](CO)NC1CC1 16706cf4b726872bf70dca4d9039388f [0,0,0,1,1,0|2,0,0]=4 4797 B11R1.1032 O=C(O)C[C@H](CO)NC1CC1 16f2c05845a43a0e736f5662d5e915fa [0,0,0,1,1,0|2,0,0]=4 4798 B13R1.25 CCCCC(CC)N1CCC(C1)O d1923ee24378ebd1352fb801f2cd5c0d [0,0,0,1,0,1|1,0,1]=4 4799 B13R1.25 CCCCC(CC)N1CC[C@@H](C1)O 4e7965663e1656b7058a98e7fc5c3f1f [0,0,0,1,0,1|1,0,1]=4 4800 B13R1.25 CCCCC(CC)N1CC[C@H](C1)O 49390de4f2562dcdd3997a6384c3af09 [0,0,0,1,0,1|1,0,1]=4 4801 B13R1.25 CCCCC(CC)N1CNC(=O)C1 fd7ca99470bdb2d4f67c8ee3b130cda2 [0,0,0,1,0,1|2,0,0]=4 4802 B13R1.60 C#CC1CCC(C1)COCC(=O)O eca4f4549336dedb36e47ce18b537423 [0,0,0,1,0,1|0,0,2]=4 4803 B13R1.60 CC(=O)CCNC1CCC(C1)CO 3a596e14201efdb1d30b578dcbf850f5 [0,0,0,1,0,1|2,0,0]=4 4804 B13R1.60 CC(=O)CCN[C@@H]1CC[C@@H](C1)CO 87fe21f2701ea12ab95636d6c4bf2127 [0,0,0,1,0,1|2,0,0]=4 4805 B13R1.60 CC(=O)CCN[C@@H]1CC[C@H](C1)CO bcbaa4531048b6ee07c6599341b3bed3 [0,0,0,1,0,1|2,0,0]=4 4806 B13R1.60 CC(=O)CCN[C@H]1CC[C@@H](C1)CO f8724cc7fe75b725509aafadd72870c4 [0,0,0,1,0,1|2,0,0]=4 4807 B13R1.60 CC(=O)CCN[C@H]1CC[C@H](C1)CO 0dbedc39a1b0dcc2dac81d7f79ee2626 [0,0,0,1,0,1|2,0,0]=4 4808 B13R1.60 CCC1CCN(C1)C/C=C/C(=O)O cb754a48b5bf0abdcbab0d5bd3ba76a2 [0,0,0,1,0,1|1,0,1]=4 4809 B13R1.60 CCC1CCN(C1)CC=CC(=O)O 6fe41a3a9e4b885b31ac903464189468 [0,0,0,1,0,1|1,0,1]=4 4810 B13R1.60 CCC1CCN(C1)CCCC(=O)C d96876c1d3e582df6b45460b4745a940 [0,0,0,1,0,1|2,0,0]=4 4811 B13R1.60 CCC1CCN(C1)CCCC(=O)N 1e62ff16f6c48cdbbfe48387c26bca0e [0,0,0,1,0,1|2,0,0]=4 4812 B13R1.60 CCC1CCN(C1)CCCC(=O)O 98347c0a69c665ba93deb7e6f4bf6c48 [0,0,0,1,0,1|1,0,0]=3 4813 B13R1.60 CCC1CCN(C1)CCNC(=O)C 55ee5c6d6d53e8b9b31f959f9016524c [0,0,0,1,0,1|2,0,0]=4 4814 B13R1.60 CCC1CCN(C1)CCNC(=O)N 26816b8d66729b7652c72b7770064c2c [0,0,0,1,0,1|2,0,0]=4 4815 B13R1.60 CCC1CCN(C1)CCOC(=O)C 2865520472a681b15bc60eab75d45874 [0,0,0,1,0,1|2,0,0]=4 4816 B13R1.60 CCC1CCN(C1)CCSC(=O)C 19880cfe5bb8c97e412ab17c7a8f19a0 [0,0,0,1,0,1|2,0,0]=4 4817 B13R1.60 CCN1CCC(C1)CNCC(=O)C f57460da05896deaadd3d1432a9c3fa3 [0,0,0,1,0,1|2,0,0]=4 4818 B13R1.60 CCN1CCC(C1)CNCC(=O)N 195739ad82b711ac1b6476268be51323 [0,0,0,1,0,1|2,0,0]=4 4819 B13R1.60 CCN1CCC(C1)CNCC(=O)O 15cc2728f741dc3593f7096bb2408e81 [0,0,0,1,0,1|1,0,0]=3 4820 B13R1.60 CCN1CCC(C1)COCC(=O)C 181d14e0490e2d228a57047caa37e6e0 [0,0,0,1,0,1|2,0,0]=4 4821 B13R1.60 CCN1CCC(C1)COCC(=O)N e7912f6a3a533f4846e07c53d50fde9b [0,0,0,1,0,1|2,0,0]=4 4822 B13R1.60 CCN1CCC(C1)COCC(=O)O 25427378d76e276b8e031ce82de91033 [0,0,0,1,0,1|1,0,0]=3 4823 B13R1.60 CCN1CCC(C1)COCS(=O)O 0455f51e36cc66b3df55099968bfb433 [0,0,0,1,0,1|2,0,0]=4 4824 B13R1.60 CCN1CCC(C1)NCCC(=O)C 267a5b8a82bb6e25e915d3b8f2eeae32 [0,0,0,1,0,1|2,0,0]=4 4825 B13R1.60 CCN1CCC(C1)NCCC(=O)N a536821b5f3d9cf4852a6e480f20fec7 [0,0,0,1,0,1|2,0,0]=4 4826 B13R1.60 CCN1CCC(C1)NCCC(=O)O 8d686d71c8f8338cd606cb7086dade66 [0,0,0,1,0,1|1,0,0]=3 4827 B13R1.60 CCN1CCC(C1)NCCS(=O)O 9741aec3cbf9fe3bef69bc03aa17f191 [0,0,0,1,0,1|2,0,0]=4 4828 B13R1.60 CCN1CCC(C1)OCCC(=O)C 0f1ef8db0968ad38b454b632e01620bf [0,0,0,1,0,1|2,0,0]=4 4829 B13R1.60 CCN1CCC(C1)OCCC(=O)N 1f204c462dab9b38798233fb5589982d [0,0,0,1,0,1|2,0,0]=4 4830 B13R1.60 CCN1CCC(C1)OCCC(=O)O b28904275967063443d13b365c4bd308 [0,0,0,1,0,1|1,0,0]=3 4831 B13R1.60 CCN1CC[C@@H](C1)COCC(=O)N f551e984f258b4af19a4070aa70833a1 [0,0,0,1,0,1|2,0,0]=4 4832 B13R1.60 CCN1CC[C@@H](C1)COCC(=O)O e0d5eb324c5eed85d55a5041162ede05 [0,0,0,1,0,1|1,0,0]=3 4833 B13R1.60 CCN1CC[C@@H](C1)NCCC(=O)C 19ed22623f4941ac537e0af530529ffa [0,0,0,1,0,1|2,0,0]=4 4834 B13R1.60 CCN1CC[C@@H](C1)NCCC(=O)N 10bad651577c9740543a15db8fc11297 [0,0,0,1,0,1|2,0,0]=4 4835 B13R1.60 CCN1CC[C@H](C1)CNCC(=O)N 790d470f3da40f0b9151619a6d72c1fc [0,0,0,1,0,1|2,0,0]=4 4836 B13R1.60 CCN1CC[C@H](C1)CNCC(=O)O fdc8fae47a5bb6e8448dafa2dafc4a5e [0,0,0,1,0,1|1,0,0]=3 4837 B13R1.60 CCN1CC[C@H](C1)COCC(=O)N b53efc8d509fc6fc85d5b00d8ea7fb76 [0,0,0,1,0,1|2,0,0]=4 4838 B13R1.60 CCN1CC[C@H](C1)COCC(=O)O f2bbeabcdbf96cc3d4e833f841bc94fc [0,0,0,1,0,1|1,0,0]=3 4839 B13R1.60 CCN1CC[C@H](C1)NCCC(=O)C fe2e568795732dbe3b559ad254ef9288 [0,0,0,1,0,1|2,0,0]=4 4840 B13R1.60 CCN1CC[C@H](C1)NCCC(=O)N ca36e5bc79c303a7294827b91e0f47e4 [0,0,0,1,0,1|2,0,0]=4 4841 B13R1.60 COC1CCC(C1)NCCC(=O)N 463a49fdbba3c922a08ac228c490ecff [0,0,0,1,0,1|2,0,0]=4 4842 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c3f50da999d7787f0ebc0e5755e59d7f [0,0,0,1,0,1|2,0,0]=4 4916 B13R1.74 CSCN[C@H]1CC[C@H](CC1)C(=O)O 9d77b9f97282e5796495761b6e08d558 [0,0,0,1,0,1|2,0,0]=4 4917 B13R1.74 CSCOC1CCC(CC1)C(=O)O 5d1390dc10e57af2ff8dabfe8ef9dc72 [0,0,0,1,0,1|2,0,0]=4 4918 B13R1.74 CSCO[C@H]1CC[C@@H](CC1)C(=O)O 44311c14dfbbc4b0ce889ee6ba58105f [0,0,0,1,0,1|2,0,0]=4 4919 B13R1.74 CSCO[C@H]1CC[C@@H](OC1)C(=O)O 239f87d586afaebe7d6789628e73aa16 [0,0,0,1,0,1|2,0,0]=4 4920 B13R1.74 CSCO[C@H]1CC[C@H](CC1)C(=O)O 0c60efff8eabe240fac8cd2dfc797e5a [0,0,0,1,0,1|2,0,0]=4 4921 B13R1.74 O=C(O)C1CCC(CC1)CNCF e00fef59fb35ef97b6461c515d7e0495 [0,0,0,1,0,1|2,0,0]=4 4922 B13R1.74 O=C(O)C1CCC(CC1)CNCO 5be42685c07264c215301223978a7b2e [0,0,0,1,0,1|2,0,0]=4 4923 B13R1.74 O=C(O)C1CCC(CC1)COCF b81b94eba1024ccccc9c21fcd70a1ec5 [0,0,0,1,0,1|2,0,0]=4 4924 B13R1.74 O=C(O)C1CCC(CC1)NCCBr 137fad984deb4a1a2ef9f1ede07a126c [0,0,0,1,0,1|2,0,0]=4 4925 B13R1.74 O=C(O)C1CCC(CC1)NCCF e326917920623e7931d19f394f8ec828 [0,0,0,1,0,1|2,0,0]=4 4926 B13R1.74 O=C(O)C1CCC(CC1)NCCI 194e25b807a9e4b257713a01cade06c7 [0,0,0,1,0,1|2,0,0]=4 4927 B13R1.74 O=C(O)C1CCC(CC1)NCCO 93da630dbb63701f84cc22d967249501 [0,0,0,1,0,1|2,0,0]=4 4928 B13R1.74 O=C(O)C1CCC(CC1)NCCS f2e45bca4278f73fbb537e7299808d3a [0,0,0,1,0,1|2,0,0]=4 4929 B13R1.74 O=C(O)C1CCC(CC1)OCCF acec1a2100cb35933ac42ebe184c4403 [0,0,0,1,0,1|2,0,0]=4 4930 B13R1.74 O=C(O)C1CCC(CC1)OCCS e4ef1795aebf1427d4406c0ea3510a1b [0,0,0,1,0,1|2,0,0]=4 4931 B13R1.74 O=C(O)C1CCN(CC1)CCCF 799418e88b03e11133070163fe7d9af5 [0,0,0,1,0,1|2,0,0]=4 4932 B13R1.74 O=C(O)C1CCN(CC1)CCCO 1241253586f6a6f1f902d8ab3ecf82a3 [0,0,0,1,0,1|2,0,0]=4 4933 B13R1.74 O=C(O)C1CCN(CC1)CCCS 0f1e3ed6a17f8fa93a19a80ed32f4ffa [0,0,0,1,0,1|2,0,0]=4 4934 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)CNCF 04f2b6bc88d1a9168f74e5bd13e87c30 [0,0,0,1,0,1|2,0,0]=4 4935 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)CNCO 60b803496e5b4950a82e10584d13bbf3 [0,0,0,1,0,1|2,0,0]=4 4936 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)COCF dc29203e2bf55521e0aa2aada5c1884a [0,0,0,1,0,1|2,0,0]=4 4937 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)NCCBr 27c129a2b9a70ef5a90dec6df24d583b [0,0,0,1,0,1|2,0,0]=4 4938 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)NCCF 0d2a525d3619a1e5eb7435a60f7e69b2 [0,0,0,1,0,1|2,0,0]=4 4939 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)NCCI 3a08e484d7317653f3a8867f839ec42c [0,0,0,1,0,1|2,0,0]=4 4940 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)NCCO 5db5933f3b27d48def2f66efa64897cf [0,0,0,1,0,1|2,0,0]=4 4941 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)NCCS 5b48245ce48039852066f1b147197752 [0,0,0,1,0,1|2,0,0]=4 4942 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)OCCF e5d08aa940d34219b02c8a2c8b8a5af0 [0,0,0,1,0,1|2,0,0]=4 4943 B13R1.74 O=C(O)[C@H]1CC[C@@H](CC1)OCCS f1518b083081d88217f9039cf3e5bff1 [0,0,0,1,0,1|2,0,0]=4 4944 B13R1.74 O=C(O)[C@H]1CC[C@@H](CO1)OCCF 6e794c7810fa3126ff2211925d7b7332 [0,0,0,1,0,1|2,0,0]=4 4945 B13R1.74 O=C(O)[C@H]1CC[C@@H](CO1)OCCS 5a63f44bfa16ef5a87c35779e82efc94 [0,0,0,1,0,1|2,0,0]=4 4946 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)CNCF 9e5df54f624418e600ae63ddfd10a636 [0,0,0,1,0,1|2,0,0]=4 4947 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)CNCO 54adf0ca276491b2b3a70a681cbb8d61 [0,0,0,1,0,1|2,0,0]=4 4948 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)COCF eb499a43f806d45c48ce3fb8a7a189de [0,0,0,1,0,1|2,0,0]=4 4949 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)NCCF 825bfb58b550f24acb2b2045a07d1d4e [0,0,0,1,0,1|2,0,0]=4 4950 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)NCCO 229213057c72853b2a315a0e46af96a7 [0,0,0,1,0,1|2,0,0]=4 4951 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)NCCS 6c95c636b7214b37bfc4adad51414c8f [0,0,0,1,0,1|2,0,0]=4 4952 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)OCCF 1fd0063c29e573f9c11d92ba7131257c [0,0,0,1,0,1|2,0,0]=4 4953 B13R1.74 O=C(O)[C@H]1CC[C@H](CC1)OCCS fdc2355e388176bcda57454844aace02 [0,0,0,1,0,1|2,0,0]=4 4954 B13R1.90 C#CC1CCCCC1OCC(=O)O e1d480ced467f4423152338d4368bb49 [0,0,0,1,0,1|0,0,2]=4 4955 B13R1.90 C#CC1CCCCN1CCC(=O)O 5b5ca44d466e351ef7fc18829787a9c2 [0,0,0,1,0,1|0,0,2]=4 4956 B13R1.90 C#C[C@@H]1CCCC[C@@H]1OCC(=O)O a06fbc203bfb11f7c1d85ce27cc89e82 [0,0,0,1,0,1|0,0,2]=4 4957 B13R1.90 C#C[C@@H]1CCCC[C@H]1OCC(=O)O f5970778e621902677c42d327d332caa [0,0,0,1,0,1|0,0,2]=4 4958 B13R1.90 C=C(Br)COC1CCCCC1CC a06817274b5e281dc0be490806d5c397 [0,0,0,1,0,1|2,0,0]=4 4959 B13R1.90 C=C(C)CCN1CCCCC1CC 12b8aefe5b77afe96c4340452b4f2e32 [0,0,0,1,0,1|2,0,0]=4 4960 B13R1.90 C=C(C)CCN1CCCC[C@@H]1CC b5361a384dabbf9de8b082a03962daae [0,0,0,1,0,1|2,0,0]=4 4961 B13R1.90 C=C(C)CCN1CCCC[C@H]1CC 25f7ec71a7e145011f1bcb3cf8f136ec [0,0,0,1,0,1|2,0,0]=4 4962 B13R1.90 C=C(C)COC1CCCCC1CC e2200fe96afb6be815c5aad2739cb0d7 [0,0,0,1,0,1|2,0,0]=4 4963 B13R1.90 C=C(Cl)COC1CCCCC1CC 0e07abaf725484440ef8bbc4610c4992 [0,0,0,1,0,1|2,0,0]=4 4964 B13R1.90 C=C(F)COC1CCCCC1CC ea8bab88fc09b501a779b909ccaee10e [0,0,0,1,0,1|2,0,0]=4 4965 B13R1.90 CC(=O)CCN1CCCCC1CO 0b73562d4a3cebb96580c78767ac78ca [0,0,0,1,0,1|2,0,0]=4 4966 B13R1.90 CC(=O)CCN1CCCC[C@@H]1CO 87e8a1525fb966cfdc4d150c55202496 [0,0,0,1,0,1|2,0,0]=4 4967 B13R1.90 CC(=O)CCN1CCCC[C@H]1CO 674ab085ccda6b524a20d0c659359463 [0,0,0,1,0,1|2,0,0]=4 4968 B13R1.90 CCC1CCCCC1OCC(=O)N 61478bd5b20f6dced26f5b6f387f1567 [0,0,0,1,0,1|1,0,0]=3 4969 B13R1.90 CCC1CCCCC1OCC(=O)O ce3d996ac59c6f08029f858e9d1a8404 [0,0,0,1,0,1|0,0,0]=2 4970 B13R1.90 CCC1CCCCC1OC[N+](=O)[O-] 7d1f3fa801c5fdac743c1c8c1bc8c830 [0,0,0,1,0,1|1,0,1]=4 4971 B13R1.90 CCC1CCCCN1CCC(=O)C 147b2741092151476d1cac4d5c38ca55 [0,0,0,1,0,1|1,0,0]=3 4972 B13R1.90 CCC1CCCCN1CCC(=O)N b22f3957e0c33a57d02877b4ac237af5 [0,0,0,1,0,1|1,0,0]=3 4973 B13R1.90 CCC1CCCCN1CCC(=O)O 3df5945447bed85da38232ce3e0085fc [0,0,0,1,0,1|0,0,0]=2 4974 B13R1.90 CCC1CCCCN1CCC(C)O 2c97d14dd28397759e35318c05868775 [0,0,0,1,0,1|1,0,1]=4 4975 B13R1.90 CCC1CCCCN1CCS(=O)C b149660be2ddfc582568f3ca05483455 [0,0,0,1,0,1|2,0,0]=4 4976 B13R1.90 CCC1CCCCN1COC(=O)C dbab594adb1df58d9f7048227e40577e [0,0,0,1,0,1|2,0,0]=4 4977 B13R1.90 CCC1CCCCN1CSC(=O)N c98cfb259b055bfdc4959d06e38a9130 [0,0,0,1,0,1|2,0,0]=4 4978 B13R1.90 CCC1COCCC1NCC(=O)N a81c1968010add071cf11ea5bd3cdefb [0,0,0,1,0,1|2,0,0]=4 4979 B13R1.90 CCC1COCCC1NCC(=O)O f327c285edaa1bf3f152fe51f06fdaae [0,0,0,1,0,1|1,0,0]=3 4980 B13R1.90 CCC1COCCN1CCC(=O)C 207d7559991cb00428e3ff28078334a6 [0,0,0,1,0,1|2,0,0]=4 4981 B13R1.90 CCC1COCCN1CCC(=O)N 2acf6b69c8ee27c9d49995d2636d0a10 [0,0,0,1,0,1|2,0,0]=4 4982 B13R1.90 CCC1COCCN1CCC(=O)O 499b020c52b420ba137d6e139120c02b [0,0,0,1,0,1|1,0,0]=3 4983 B13R1.90 CCN1CCCCC1CCC(=O)O de8ff0f6f7079068957556051851ed66 [0,0,0,1,0,1|1,0,0]=3 4984 B13R1.90 CCN1CCCCC1CNC(=O)C 36b51c3efceace938f613ceb01d412bb [0,0,0,1,0,1|2,0,0]=4 4985 B13R1.90 CC[C@@H]1CCCCN1CCC(=O)C 4eb76a8a4f3c283d23bfe26541ce0820 [0,0,0,1,0,1|1,0,0]=3 4986 B13R1.90 CC[C@@H]1CCCCN1CCC(=O)N cd33f1b5fe2de131eee3dbabfe361871 [0,0,0,1,0,1|1,0,0]=3 4987 B13R1.90 CC[C@@H]1CCCCN1CCC(=O)O 00b39f00d9025efaf3d4d10a299f9de4 [0,0,0,1,0,1|0,0,0]=2 4988 B13R1.90 CC[C@@H]1CCCCN1CCC(C)O 9ab6122cc380bbb0769cfef2c7eab274 [0,0,0,1,0,1|1,0,1]=4 4989 B13R1.90 CC[C@@H]1CCCCN1CCS(=O)C 380e15ac15a1623d79df8603a35cccbd [0,0,0,1,0,1|2,0,0]=4 4990 B13R1.90 CC[C@@H]1CCCCN1COC(=O)C 44f5a5df1409719e51b1083bea4f930c [0,0,0,1,0,1|2,0,0]=4 4991 B13R1.90 CC[C@@H]1CCCCN1CSC(=O)N 5fe7e2f44883eb465a8fbf1487075644 [0,0,0,1,0,1|2,0,0]=4 4992 B13R1.90 CC[C@@H]1COCCN1CCC(=O)C 8f686c9d6a0b55f57a20cfa64041d1c8 [0,0,0,1,0,1|2,0,0]=4 4993 B13R1.90 CC[C@@H]1COCCN1CCC(=O)N eb5e9a3d2adda397ed83bed5e1c688c2 [0,0,0,1,0,1|2,0,0]=4 4994 B13R1.90 CC[C@@H]1COCCN1CCC(=O)O 2d7fa5c2d4bc033e8bc566fc3b845ad1 [0,0,0,1,0,1|1,0,0]=3 4995 B13R1.90 CC[C@H]1CCCCN1CCC(=O)C 4c0ea5176765a20895b06cf0f8dfd019 [0,0,0,1,0,1|1,0,0]=3 4996 B13R1.90 CC[C@H]1CCCCN1CCC(=O)N 5be7e66aaf257738de7835b74728c1a0 [0,0,0,1,0,1|1,0,0]=3 4997 B13R1.90 CC[C@H]1CCCCN1CCC(=O)O 1b19729a0f93fe01bf71930961118d59 [0,0,0,1,0,1|0,0,0]=2 4998 B13R1.90 CC[C@H]1CCCCN1CCC(C)O 5c59a577e79b95f5f440d64eabc2d7c1 [0,0,0,1,0,1|1,0,1]=4 4999 B13R1.90 CC[C@H]1CCCCN1CCS(=O)C afd70ed5b6e0cee24956c30470a412d9 [0,0,0,1,0,1|2,0,0]=4 5000 B13R1.90 CC[C@H]1CCCCN1COC(=O)C cd7af1b93ecad6cf0c79b2106f303d96 [0,0,0,1,0,1|2,0,0]=4 5001 B13R1.90 CC[C@H]1CCCCN1CSC(=O)N 18783cf8c4fed8a39145c257c69ad870 [0,0,0,1,0,1|2,0,0]=4 5002 B13R1.90 CC[C@H]1COCCN1CCC(=O)C d89533329a73f502a30d2ed9e38bfe5e [0,0,0,1,0,1|2,0,0]=4 5003 B13R1.90 CC[C@H]1COCCN1CCC(=O)N cee58375592d104cf6577e6c4df16d27 [0,0,0,1,0,1|2,0,0]=4 5004 B13R1.90 CC[C@H]1COCCN1CCC(=O)O 5a76499fd920982471feaa8eff59315c [0,0,0,1,0,1|1,0,0]=3 5005 B13R1.90 COC1CCCCC1NCC(=O)N 36abd4020dcd475dc53497d5c6bc4d21 [0,0,0,1,0,1|2,0,0]=4 5006 B13R1.90 COC1CCCCC1NCC(=O)O 975f04107a2c787bb775a2b54af62cd0 [0,0,0,1,0,1|1,0,0]=3 5007 B13R1.90 COC1CCCCC1OCC(=O)N 1856604dca7b35a0fad5bda92e6e2837 [0,0,0,1,0,1|2,0,0]=4 5008 B13R1.90 COC1CCCCC1OCC(=O)O f61ac241a8580a93c903a471bb98a413 [0,0,0,1,0,1|1,0,0]=3 5009 B13R1.90 CO[C@@H]1COCC[C@@H]1NCC(=O)O 8405f8148fd1347b41d503d3358ca715 [0,0,0,1,0,1|2,0,0]=4 5010 B13R1.90 CO[C@@H]1COCC[C@H]1NCC(=O)O 8ce757a661a249a275480539161056c4 [0,0,0,1,0,1|2,0,0]=4 5011 B13R1.90 CO[C@H]1CCCC[C@@H]1NCC(=O)N bf9894579a7b3ca560f15933629e00a1 [0,0,0,1,0,1|2,0,0]=4 5012 B13R1.90 CO[C@H]1CCCC[C@@H]1NCC(=O)O 118274b31352b065578b4466ff582c3d [0,0,0,1,0,1|1,0,0]=3 5013 B13R1.90 CO[C@H]1COCC[C@@H]1NCC(=O)O 7b86d348b6a2edfc42f76dd99d3eda46 [0,0,0,1,0,1|2,0,0]=4 5014 B13R1.90 CO[C@H]1COCC[C@H]1NCC(=O)O 51928e6e141a008b86a4325ba9bb4493 [0,0,0,1,0,1|2,0,0]=4 5015 B13R1.90 CS[C@@H]1CCCC[C@H]1OCC(=O)N d9f848899d6731b5c7c4aaf021548e4d [0,0,0,1,0,1|2,0,0]=4 5016 B13R1.90 CS[C@@H]1CCCC[C@H]1OCC(=O)O 75df391a491205e76c47bad2f4d9b7b8 [0,0,0,1,0,1|1,0,0]=3 5017 B13R1.90 N#CC1CCCCC1NCC(=O)O a948d53ecffbda05ef14c709967ec7cd [0,0,0,1,0,1|1,0,1]=4 5018 B13R1.90 N#CC1CCCCN1CCC(=O)O f191d43f2820467ea8383a0943f79be9 [0,0,0,1,0,1|1,0,1]=4 5019 B13R1.90 N#C[C@@H]1CCCCN1CCC(=O)O fabd441ef9d674d6b6b5f1e05854f973 [0,0,0,1,0,1|1,0,1]=4 5020 B13R1.90 N#C[C@@H]1CCCC[C@@H]1NCC(=O)O 7abf476e832e3e3352623d84683d9acd [0,0,0,1,0,1|1,0,1]=4 5021 B13R1.90 N#C[C@H]1CCCCN1CCC(=O)O 74c1dfdcf9f3770a2b19140913203c1e [0,0,0,1,0,1|1,0,1]=4 5022 B13R1.90 NC(=O)CCN1CCCCC1CO 5dc0cf8b22629a6ee93e028277ddc150 [0,0,0,1,0,1|2,0,0]=4 5023 B13R1.90 NC(=O)CCN1CCCC[C@@H]1CO 0eef97c739293d07113d66d7cc28a8e8 [0,0,0,1,0,1|2,0,0]=4 5024 B13R1.90 NC(=O)CCN1CCCC[C@H]1CO 6ad81ea815f2966b66d966836a9455d3 [0,0,0,1,0,1|2,0,0]=4 5025 B13R1.90 NC(=O)CN[C@@H]1CCCC[C@@H]1CO fdade1ea5060c2dd64003b7f6caee092 [0,0,0,1,0,1|2,0,0]=4 5026 B13R1.90 NC(=O)CN[C@@H]1CCCC[C@H]1CO ad310b241f95d9936d8968d34888ac64 [0,0,0,1,0,1|2,0,0]=4 5027 B13R1.90 NC(=O)CN[C@H]1CCCC[C@H]1CO 71633f11851246325ef106cfc6c451de [0,0,0,1,0,1|2,0,0]=4 5028 B13R1.90 O=C(O)CCC1CCCCN1CF 8d3a07e0511d4d84386732415c0b31f2 [0,0,0,1,0,1|2,0,0]=4 5029 B13R1.90 O=C(O)CCC1CCCCN1CO 01a33da1b48c2368b34c5d6562162187 [0,0,0,1,0,1|2,0,0]=4 5030 B13R1.90 O=C(O)CCN1CCCCC1CO dbd4e26506004a04355a71856885ebca [0,0,0,1,0,1|1,0,0]=3 5031 B13R1.90 O=C(O)CCN1CCCC[C@@H]1CO b1e55639ecce9b4eac11cad452a25974 [0,0,0,1,0,1|1,0,0]=3 5032 B13R1.90 O=C(O)CCN1CCCC[C@H]1CO b20dfe650006d88be6822a54421a6d13 [0,0,0,1,0,1|1,0,0]=3 5033 B13R1.90 O=C(O)CCN1CCOCC1CO cd6f4350089d1b79b093ea1aaceac6dc [0,0,0,1,0,1|2,0,0]=4 5034 B13R1.90 O=C(O)CCN1CCOC[C@@H]1CO 8e544323ddb8d80540da10fa3f4b2e1f [0,0,0,1,0,1|2,0,0]=4 5035 B13R1.90 O=C(O)CCN1CCOC[C@H]1CO d868b39b42c2f7a30b00d4467b78c434 [0,0,0,1,0,1|2,0,0]=4 5036 B13R1.90 O=C(O)CNC1CCOCC1CO ae2f84590937ab2eb244aaa2ba38e304 [0,0,0,1,0,1|2,0,0]=4 5037 B13R1.90 O=C(O)CN[C@@H]1CCCC[C@@H]1CO a28a24876f01d534fa3faf8acf561c8b [0,0,0,1,0,1|1,0,0]=3 5038 B13R1.90 O=C(O)CN[C@@H]1CCCC[C@H]1CO b9618704e824b47225a91ae439a07962 [0,0,0,1,0,1|1,0,0]=3 5039 B13R1.90 O=C(O)CN[C@@H]1CCOC[C@@H]1CO 2c8cfb187c47126da84f24cb71390e63 [0,0,0,1,0,1|2,0,0]=4 5040 B13R1.90 O=C(O)CN[C@H]1CCCC[C@H]1CO 696411bdabc64117ef6fa618e5fe34a5 [0,0,0,1,0,1|1,0,0]=3 5041 B13R1.90 O=CC1CCCCN1CCC(=O)O 3b2dcec859cf8a97cedce0ab2c66dc25 [0,0,0,1,0,1|1,0,1]=4 5042 B13R1.97 C=C(Br)CN1CC(CCC1C)CC b1f1fd44b9c4363604e1fd321020670c [0,0,0,1,0,1|2,0,0]=4 5043 B13R1.97 C=C(C)CN1CC(CCC1C)CC bf4969c70d675d1be5404633e4c6878b [0,0,0,1,0,1|2,0,0]=4 5044 B13R1.97 C=C(Cl)CN1CC(CCC1C)CC 89c5780d7929a7732d7d5826b03f223f [0,0,0,1,0,1|2,0,0]=4 5045 B13R1.97 C=C(F)CN1CC(CCC1C)CC 25cfa3ec45295bede83c8023ab941f4f [0,0,0,1,0,1|2,0,0]=4 5046 B13R1.97 CC1CCC(CN1CC(=O)N)CO 86ead4171463b13c60b4a8ac83473911 [0,0,0,1,0,1|2,0,0]=4 5047 B13R1.97 CC1CCC(CN1CC(=O)O)CO c8228045dbfe2f11c6d76191fbbb7d67 [0,0,0,1,0,1|1,0,0]=3 5048 B13R1.97 CC1COC(CN1CC(=O)O)CO 63104b87469f224a803ec70141d1ab22 [0,0,0,1,0,1|2,0,0]=4 5049 B13R1.97 CCC1CCC(N(C1)CC(=O)N)C 8828821e04f41325124e6ce6b05ff49d [0,0,0,1,0,1|1,0,0]=3 5050 B13R1.97 CCC1CCC(N(C1)CC(=O)O)C 393eac03f583f9f627755d2cb498e40b [0,0,0,1,0,1|0,0,0]=2 5051 B13R1.97 CCC1CCC(N(C1)CC(C)O)C 33c002ccaf2421e10240a20938a0d410 [0,0,0,1,0,1|1,0,1]=4 5052 B13R1.97 CCC1CCC(N(C1)C[C@@H](C)O)C 45423ee57828a315caa040088e0bf120 [0,0,0,1,0,1|1,0,1]=4 5053 B13R1.97 CCC1CCC(N(C1)C[C@H](C)O)C 6c66e1dc7c4f348450d0ace5ab7b0632 [0,0,0,1,0,1|1,0,1]=4 5054 B13R1.97 CCC1CCC(N(C1)C[N+](=O)[O-])C 96a1c55495f1cbf415e6f47dfe8148d9 [0,0,0,1,0,1|1,0,1]=4 5055 B13R1.97 C[C@@H]1CO[C@@H](CN1CC(=O)O)CO 468133c74ec134fec8064668c6bcd03e [0,0,0,1,0,1|2,0,0]=4 5056 B13R1.99 CCC1CN(CCC1C(=O)N)CC bbbe116c8b93c05e8f2d657805832ec7 [0,0,0,1,0,1|2,0,0]=4 5057 B13R1.158 C=C(Br)CCO[C@H]1CCCC[C@H]1C 539a3efe431089326d4b1d4338a13026 [0,0,0,1,0,1|2,0,0]=4 5058 B13R1.158 C=C(Br)CNCC1CCCCC1C cb66960fd717b5e66aaafdbc404d8d92 [0,0,0,1,0,1|2,0,0]=4 5059 B13R1.158 C=C(C)CCNC1CCCCC1C 7e19ae8ff9a22d8c0be16d909f318db8 [0,0,0,1,0,1|2,0,0]=4 5060 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@@H]1C 6aec5d22a96b1a552dd3a33b8b1b1fb3 [0,0,0,1,0,1|2,0,0]=4 5061 B13R1.158 C=C(C)CCN[C@@H]1CCCC[C@H]1C 88a3c9a715b11d15389e370f0a495a74 [0,0,0,1,0,1|2,0,0]=4 5062 B13R1.158 C=C(C)CCN[C@H]1CCCC[C@@H]1C d4e0697e07ec1c16fdedc12b8743ff2a [0,0,0,1,0,1|2,0,0]=4 5063 B13R1.158 C=C(C)CCN[C@H]1CCCC[C@H]1C f3cc1c5b39381f9e6db20eb7fdab04ef [0,0,0,1,0,1|2,0,0]=4 5064 B13R1.158 C=C(C)CCOC1CCCCC1C 2995074e76fc9d0c5ea376e68866e73a [0,0,0,1,0,1|2,0,0]=4 5065 B13R1.158 C=C(C)CCO[C@@H]1CCCC[C@@H]1C 61abdae5f73c174083da209dd37201fe [0,0,0,1,0,1|2,0,0]=4 5066 B13R1.158 C=C(C)CCO[C@H]1CCCC[C@@H]1C e989bf224f77c47d564d0b27f068afd0 [0,0,0,1,0,1|2,0,0]=4 5067 B13R1.158 C=C(C)CCO[C@H]1CCCC[C@H]1C cd7754b746b67241dc86f4b7a4d22037 [0,0,0,1,0,1|2,0,0]=4 5068 B13R1.158 C=C(C)CNCC1CCCCC1C 9a3c068ae26f859e4ebb94a0ef42ed25 [0,0,0,1,0,1|2,0,0]=4 5069 B13R1.158 C=C(Cl)CNCC1CCCCC1C c3ed803efc201291645a4db3e4325c3d [0,0,0,1,0,1|2,0,0]=4 5070 B13R1.158 C=C(F)CNCC1CCCCC1C 734debe5fec26dbb62e2760509c2fbe8 [0,0,0,1,0,1|2,0,0]=4 5071 B13R1.158 CC(=O)CCCN1CCCCC1C 711a97d929113e2d66b2875ef68e165d [0,0,0,1,0,1|2,0,0]=4 5072 B13R1.158 CC(=O)CCCN1CCCC[C@@H]1C e546653370548a7c18e3542de9844786 [0,0,0,1,0,1|2,0,0]=4 5073 B13R1.158 CC(=O)CCCN1CCCC[C@H]1C 6aaaa8057ecadea5a84d70e5a5244125 [0,0,0,1,0,1|2,0,0]=4 5074 B13R1.158 CC(=O)CCNC1CCCCC1C b2723fc0b0829c5a36d1570482da6131 [0,0,0,1,0,1|1,0,0]=3 5075 B13R1.158 CC(=O)CCNC1CCCCC1O 2d2b6f7affa59e448549e1e087537560 [0,0,0,1,0,1|2,0,0]=4 5076 B13R1.158 CC(=O)CCNC1CCOCC1C dbc6dfbd95d69a761eec756b93138693 [0,0,0,1,0,1|2,0,0]=4 5077 B13R1.158 CC(=O)CCN[C@@H]1CCCC[C@@H]1C c43fca1dbd109663eafde031b28e5f06 [0,0,0,1,0,1|1,0,0]=3 5078 B13R1.158 CC(=O)CCN[C@@H]1CCCC[C@H]1C 18f82bab45758b09ea361d28749d4270 [0,0,0,1,0,1|1,0,0]=3 5079 B13R1.158 CC(=O)CCN[C@@H]1CCCC[C@H]1O eb5dea6ff243f5a807b443b25e301875 [0,0,0,1,0,1|2,0,0]=4 5080 B13R1.158 CC(=O)CCN[C@@H]1CCOC[C@@H]1C ac701f049f62b65e1c587eefe07a3eda [0,0,0,1,0,1|2,0,0]=4 5081 B13R1.158 CC(=O)CCN[C@H]1CCCC[C@@H]1C 829040a3398e8cf09a365c97fa8300c8 [0,0,0,1,0,1|1,0,0]=3 5082 B13R1.158 CC(=O)CCN[C@H]1CCCC[C@@H]1O ec3def58f6569a894309ba129becb386 [0,0,0,1,0,1|2,0,0]=4 5083 B13R1.158 CC(=O)CCN[C@H]1CCCC[C@H]1C 589eb8a00e4cec14d9a573e5dffda6c5 [0,0,0,1,0,1|1,0,0]=3 5084 B13R1.158 CC(=O)CCN[C@H]1CCCC[C@H]1O a3826161569fd22d3d4794665cc3d3be [0,0,0,1,0,1|2,0,0]=4 5085 B13R1.158 CC(=O)CCN[C@H]1CCOC[C@H]1C 262bbf4ec25035c3b4142a5f294e89ca [0,0,0,1,0,1|2,0,0]=4 5086 B13R1.158 CC(=O)CCOC1CCCCC1C 2b689315deac13029a2e9a56162f4144 [0,0,0,1,0,1|1,0,0]=3 5087 B13R1.158 CC(=O)CCOC1CCCCC1F 06b802ff1eb248081fd8641ceac37fec [0,0,0,1,0,1|2,0,0]=4 5088 B13R1.158 CC(=O)CCOC1CCOCC1C 55bd6ba8ae0addd8f071c81f3c31459a [0,0,0,1,0,1|2,0,0]=4 5089 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@@H]1C a5cddfa65a6eedede123a11ab64fa4d9 [0,0,0,1,0,1|1,0,0]=3 5090 B13R1.158 CC(=O)CCO[C@@H]1CCCC[C@H]1F a4f3e22d14151929dcdb30b79ad87657 [0,0,0,1,0,1|2,0,0]=4 5091 B13R1.158 CC(=O)CCO[C@H]1CCCC[C@@H]1C e14d7e63677c92bc186a92ca659e32ac [0,0,0,1,0,1|1,0,0]=3 5092 B13R1.158 CC(=O)CCO[C@H]1CCCC[C@H]1C a7d8028dd162a246d23e5ae6c0e7c764 [0,0,0,1,0,1|1,0,0]=3 5093 B13R1.158 CC(=O)CNCC1CCCCN1C f3e6596de1345af4ab22ec294d3b4db4 [0,0,0,1,0,1|2,0,0]=4 5094 B13R1.158 CC(=O)COCC1CCCCN1C c5ba80854944bdd4bf473c19041fc00a [0,0,0,1,0,1|2,0,0]=4 5095 B13R1.158 CC(=O)NCCC1CCCCN1C 6469984e75125199c279e058034ec127 [0,0,0,1,0,1|2,0,0]=4 5096 B13R1.158 CC(=O)NCCN1CCCCC1C ecb9033215f904267f91d7f9524cdf2c [0,0,0,1,0,1|2,0,0]=4 5097 B13R1.158 CC(=O)NCCN1CCCC[C@@H]1C 225d0aa0f28bb6e2b5edaff96305dce7 [0,0,0,1,0,1|2,0,0]=4 5098 B13R1.158 CC(=O)NCCN1CCCC[C@H]1C f65acad6ee341985b11d7a1f8d7a4478 [0,0,0,1,0,1|2,0,0]=4 5099 B13R1.158 CC(=O)NCO[C@H]1CCCC[C@H]1C 461791bab26e7d876fdc449af94055d4 [0,0,0,1,0,1|2,0,0]=4 5100 B13R1.158 CC(=O)OCCN1CCCCC1C dc3f58dc8d67a9aabc6fe00e7a7cc6a8 [0,0,0,1,0,1|2,0,0]=4 5101 B13R1.158 CC(=O)OCCN1CCCC[C@@H]1C e97696c924164bd657c22ba3b24aa601 [0,0,0,1,0,1|2,0,0]=4 5102 B13R1.158 CC(=O)OCCN1CCCC[C@H]1C 7ff4ffa46ec895894c6c7787a3833cca [0,0,0,1,0,1|2,0,0]=4 5103 B13R1.158 CC(=O)OCNC1CCCCC1C 37c90d56e2a4abe5760c8e22f5a47723 [0,0,0,1,0,1|2,0,0]=4 5104 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@@H]1C 149d4ef732a4ed6f6b5f58145711c3d1 [0,0,0,1,0,1|2,0,0]=4 5105 B13R1.158 CC(=O)OCN[C@@H]1CCCC[C@H]1C be6e8d860a2e225f33b52c3f5ac52c4d [0,0,0,1,0,1|2,0,0]=4 5106 B13R1.158 CC(=O)OCN[C@H]1CCCC[C@@H]1C 9e2d447a39941a014e825403987cf420 [0,0,0,1,0,1|2,0,0]=4 5107 B13R1.158 CC(=O)OCN[C@H]1CCCC[C@H]1C 8d4c4c55365578c7ed97e91ab58a4985 [0,0,0,1,0,1|2,0,0]=4 5108 B13R1.158 CC(=O)OCOC1CCCCC1C 2324df5e48da9acd2a9f86c5b21bc481 [0,0,0,1,0,1|2,0,0]=4 5109 B13R1.158 CC(=O)OCO[C@@H]1CCCC[C@@H]1C 76ca72528407994af2b4f541028388f7 [0,0,0,1,0,1|2,0,0]=4 5110 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@@H]1C df981024ebfff928d733af191e7c1096 [0,0,0,1,0,1|2,0,0]=4 5111 B13R1.158 CC(=O)OCO[C@H]1CCCC[C@H]1C 5d155bcdf579bada72bd28d3cefbb963 [0,0,0,1,0,1|2,0,0]=4 5112 B13R1.158 CC(=O)SCCN1CCCCC1C 41faae662b2b68740624add4ac430598 [0,0,0,1,0,1|2,0,0]=4 5113 B13R1.158 CC(=O)SCCN1CCCC[C@@H]1C efdbfc75fa624389f7549350a10a4281 [0,0,0,1,0,1|2,0,0]=4 5114 B13R1.158 CC(=O)SCCN1CCCC[C@H]1C ef945070d94dc5474d2bb665873fc2fe [0,0,0,1,0,1|2,0,0]=4 5115 B13R1.158 CC(O)CCNC1CCCCC1C 0f0a4fb8ed0713e350f5292b1650c777 [0,0,0,1,0,1|1,0,1]=4 5116 B13R1.158 CC(O)CCN[C@@H]1CCCC[C@@H]1C a0ffc52b8a7b279045ce672a6b08bbb1 [0,0,0,1,0,1|1,0,1]=4 5117 B13R1.158 CC(O)CCN[C@@H]1CCCC[C@H]1C 5de42b497ae01c98e2dea3364e35af16 [0,0,0,1,0,1|1,0,1]=4 5118 B13R1.158 CC(O)CCN[C@H]1CCCC[C@@H]1C f957566389913c4b89270f14abef8b49 [0,0,0,1,0,1|1,0,1]=4 5119 B13R1.158 CC(O)CCN[C@H]1CCCC[C@H]1C d2f9be3c6b617a218ca138cb25e6d614 [0,0,0,1,0,1|1,0,1]=4 5120 B13R1.158 CC(O)CNCC1CCCCC1C e3954a63248cbcd7f99ec878e27b3490 [0,0,0,1,0,1|1,0,1]=4 5121 B13R1.158 CC1CC=CCC1COCC(=O)O 6dd3f913b69c1a2b5c34fd3f3f64be94 [0,0,0,1,0,1|0,0,2]=4 5122 B13R1.158 CC1CCCCC1CNCC(=O)N 82b66a194f6be7ace14b90cedc09befe [0,0,0,1,0,1|1,0,0]=3 5123 B13R1.158 CC1CCCCC1CNCC(=O)O 4dd033528fcbc190e7d625a268908f17 [0,0,0,1,0,1|0,0,0]=2 5124 B13R1.158 CC1CCCCC1CNC[C@@H](C)O e06ff9a7781b8090e9f285823485c2dc [0,0,0,1,0,1|1,0,1]=4 5125 B13R1.158 CC1CCCCC1CNC[C@H](C)O 93d672d2a449a8767771c86768228866 [0,0,0,1,0,1|1,0,1]=4 5126 B13R1.158 CC1CCCCC1CNC[N+](=O)[O-] 725c89f40fa021ac0137b4b12643bea4 [0,0,0,1,0,1|1,0,1]=4 5127 B13R1.158 CC1CCCCC1NCCC(=O)N e34ded5697d3a49ff44f56cbc9ccf9a2 [0,0,0,1,0,1|1,0,0]=3 5128 B13R1.158 CC1CCCCC1NCCC(=O)O 29242fa775e09dae5b05be0ad18a9856 [0,0,0,1,0,1|0,0,0]=2 5129 B13R1.158 CC1CCCCC1NCCS(=O)C 3504dee893612dadf184488a0c3370f7 [0,0,0,1,0,1|2,0,0]=4 5130 B13R1.158 CC1CCCCC1NCSC(=O)N 9bde6cbecf06dc6064a2a7a0c847b2c3 [0,0,0,1,0,1|2,0,0]=4 5131 B13R1.158 CC1CCCCC1OCCC(=O)N c2cae3c1323e724fd2ca57e7b50a527a [0,0,0,1,0,1|1,0,0]=3 5132 B13R1.158 CC1CCCCC1OCCC(=O)O 6da45ed9f18470aea1f2407b7f8b3529 [0,0,0,1,0,1|0,0,0]=2 5133 B13R1.158 CC1CCCCC1OCCS(=O)C 652f8648bbab01dfde277e5da7998ae1 [0,0,0,1,0,1|2,0,0]=4 5134 B13R1.158 CC1CCCCC1OCSC(=O)N dae6bc3c18fe46ca821d00d1f42aa125 [0,0,0,1,0,1|2,0,0]=4 5135 B13R1.158 CC1CCCCN1C/C=C/C(=O)O 40cfc9adfa6d72d7b49b2ae63fcac813 [0,0,0,1,0,1|1,0,1]=4 5136 B13R1.158 CC1CCCCN1CC=CC(=O)O cefe32af09f693787c95f4e49bc93ee3 [0,0,0,1,0,1|1,0,1]=4 5137 B13R1.158 CC1CCCCN1CCCC(=O)N 913b9b6b4e7fad947d8ded97b6cf5d2c [0,0,0,1,0,1|2,0,0]=4 5138 B13R1.158 CC1CCCCN1CCNC(=O)N 64dea47bb33ecb51058bf8c131dc5538 [0,0,0,1,0,1|2,0,0]=4 5139 B13R1.158 CC1COCCC1NCCC(=O)N 5ff1c99c52dd10e08854d56c7843c9ca [0,0,0,1,0,1|2,0,0]=4 5140 B13R1.158 CC1COCCC1NCCC(=O)O a9a737a8d2581d5c56c6d12013681015 [0,0,0,1,0,1|1,0,0]=3 5141 B13R1.158 CC1COCCC1OCCC(=O)N c1b1912c4e7b4611b95e6323be524a61 [0,0,0,1,0,1|2,0,0]=4 5142 B13R1.158 CC1COCCC1OCCC(=O)O 30d55860bfcf0c7debd7f38a5a4b45b6 [0,0,0,1,0,1|1,0,0]=3 5143 B13R1.158 CC1COCCN1CCCC(=O)O 3ad4cba93f2e2a3a14eb736afd8ac6fe [0,0,0,1,0,1|2,0,0]=4 5144 B13R1.158 CN1CCCCC1CNCC(=O)N 04e66c179485c8a5ca2832fe0f9346d3 [0,0,0,1,0,1|2,0,0]=4 5145 B13R1.158 CN1CCCCC1CNCC(=O)O 0aaf2d162d0129eb03f4555b9d3100d3 [0,0,0,1,0,1|1,0,0]=3 5146 B13R1.158 CN1CCCCC1COCC(=O)N a959a8593b3539198d49df0891478bc9 [0,0,0,1,0,1|2,0,0]=4 5147 B13R1.158 CN1CCCCC1COCC(=O)O d7f67f54947d207443a7daad39c8e06a [0,0,0,1,0,1|1,0,0]=3 5148 B13R1.158 CN1CCCCC1COCS(=O)O 312ab4bda0280f848eb326638709fddb [0,0,0,1,0,1|2,0,0]=4 5149 B13R1.158 CN1CCCC[C@@H]1COCC(=O)N 57fe8cd982b81b796a7a2d3a1220cf9e [0,0,0,1,0,1|2,0,0]=4 5150 B13R1.158 CN1CCCC[C@@H]1COCC(=O)O 706a5daea7e6ddbafd9e6299757cb933 [0,0,0,1,0,1|1,0,0]=3 5151 B13R1.158 CN1CCCC[C@H]1COCC(=O)N a1ff841930a9df982ab2f91ecbc6c1bf [0,0,0,1,0,1|2,0,0]=4 5152 B13R1.158 CN1CCCC[C@H]1COCC(=O)O fccf36bdba34c7d489182a64b71f8465 [0,0,0,1,0,1|1,0,0]=3 5153 B13R1.158 CN1CCOCC1CNCC(=O)O bde71dbff8a0cb6187c7d4330658b666 [0,0,0,1,0,1|2,0,0]=4 5154 B13R1.158 CN1CCOCC1COCC(=O)O 3c3c88b60512da0d808ec2064a130ec8 [0,0,0,1,0,1|2,0,0]=4 5155 B13R1.158 CN1CCOC[C@@H]1COCC(=O)O cdb0d76076017d84924665c4b860f5d3 [0,0,0,1,0,1|2,0,0]=4 5156 B13R1.158 CN1CCOC[C@H]1CNCC(=O)O ddf9f746031d376154ae79321c4f7976 [0,0,0,1,0,1|2,0,0]=4 5157 B13R1.158 CN1CCOC[C@H]1COCC(=O)O 097328f7cc07002374daa30524ed96ae [0,0,0,1,0,1|2,0,0]=4 5158 B13R1.158 C[C@@H]1CCCCN1C/C=C/C(=O)O 06eafc1455081c6d787643bf3aeecf79 [0,0,0,1,0,1|1,0,1]=4 5159 B13R1.158 C[C@@H]1CCCCN1CC=CC(=O)O 26a4c4ae18c126b14cf72bd34d085d1b [0,0,0,1,0,1|1,0,1]=4 5160 B13R1.158 C[C@@H]1CCCCN1CCCC(=O)N f6df7307a7dd624d7681afec36b656e1 [0,0,0,1,0,1|2,0,0]=4 5161 B13R1.158 C[C@@H]1CCCCN1CCNC(=O)N bde2291e6ffe70020370e4e4a756f881 [0,0,0,1,0,1|2,0,0]=4 5162 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCC(=O)N cd5cb32e8c20319dcc8dc0ce9350cbdb [0,0,0,1,0,1|1,0,0]=3 5163 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCC(=O)O aa133be24944da604da62c85d412fe79 [0,0,0,1,0,1|0,0,0]=2 5164 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCC(=S)N 9376f4d9b198462a067ff80c4beb0de5 [0,0,0,1,0,1|1,1,0]=4 5165 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCS(=O)C 8d44ad1107d5a8ce9be72bfef8996443 [0,0,0,1,0,1|2,0,0]=4 5166 B13R1.158 C[C@@H]1CCCC[C@@H]1NCCS(=O)O 995c1c6e1c05b04779374fb5189e8f9d [0,0,0,1,0,1|1,0,0]=3 5167 B13R1.158 C[C@@H]1CCCC[C@@H]1NCC[C@@H](C)O 89c35be1dcb411f15cf37172696c2283 [0,0,0,1,0,1|1,0,1]=4 5168 B13R1.158 C[C@@H]1CCCC[C@@H]1NCSC(=O)N 98a4769d2b9cc8ffb93d2221634fd3bb [0,0,0,1,0,1|2,0,0]=4 5169 B13R1.158 C[C@@H]1CCCC[C@@H]1OCCC(=O)N f7a66dd5c7977aec78be97bb7ec3aa8d [0,0,0,1,0,1|1,0,0]=3 5170 B13R1.158 C[C@@H]1CCCC[C@@H]1OCCC(=O)O 14aa046483f5020094adf032aad1e2fe [0,0,0,1,0,1|0,0,0]=2 5171 B13R1.158 C[C@@H]1CCCC[C@@H]1OCCS(=O)C 9fddf27818d28ed519c7ee0a7719ce14 [0,0,0,1,0,1|2,0,0]=4 5172 B13R1.158 C[C@@H]1CCCC[C@@H]1OCC[N+](=O)[O-] d830fdb7c694ef1ca755e64a4dcad0af [0,0,0,1,0,1|1,0,1]=4 5173 B13R1.158 C[C@@H]1CCCC[C@@H]1OCNC(=O)N 1d6289850a03a2f0e7ead6787754d2f9 [0,0,0,1,0,1|2,0,0]=4 5174 B13R1.158 C[C@@H]1CCCC[C@@H]1OCSC(=O)N 3aff9ac235e698c92a6d90443e48d93a [0,0,0,1,0,1|2,0,0]=4 5175 B13R1.158 C[C@@H]1CCCC[C@H]1NCCC(=O)N d5d60101b8166ee4deafdc253dd7de91 [0,0,0,1,0,1|1,0,0]=3 5176 B13R1.158 C[C@@H]1CCCC[C@H]1NCCC(=O)O 15f110f00686dd7c1335531873944da7 [0,0,0,1,0,1|0,0,0]=2 5177 B13R1.158 C[C@@H]1CCCC[C@H]1NCCS(=O)C 915c1c9c75b880b5555c92433ad6f146 [0,0,0,1,0,1|2,0,0]=4 5178 B13R1.158 C[C@@H]1CCCC[C@H]1NCSC(=O)N 82cddf32c2516ba85bc2615eac107818 [0,0,0,1,0,1|2,0,0]=4 5179 B13R1.158 C[C@@H]1COCCN1CCCC(=O)O 2b9502f7d7ad4ed8186a01e6c5bacadc [0,0,0,1,0,1|2,0,0]=4 5180 B13R1.158 C[C@@H]1COCC[C@@H]1NCCC(=O)N 2425ff4f69db391fd748588553cd6d7a [0,0,0,1,0,1|2,0,0]=4 5181 B13R1.158 C[C@@H]1COCC[C@@H]1NCCC(=O)O 946ccec3bb554bd0e0c12848e58b605f [0,0,0,1,0,1|1,0,0]=3 5182 B13R1.158 C[C@H](O)CCN[C@H]1CCCC[C@H]1C b3d6009fca26183b4d520146094508a1 [0,0,0,1,0,1|1,0,1]=4 5183 B13R1.158 C[C@H]1CCCCN1C/C=C/C(=O)O 962d24e05a3311f43480c9017ea1e4e2 [0,0,0,1,0,1|1,0,1]=4 5184 B13R1.158 C[C@H]1CCCCN1CC=CC(=O)O 0b5162efdc593feaeadfcece90b54132 [0,0,0,1,0,1|1,0,1]=4 5185 B13R1.158 C[C@H]1CCCCN1CCCC(=O)N 59eaf3c26f8276f5db6b4ccda824d7f0 [0,0,0,1,0,1|2,0,0]=4 5186 B13R1.158 C[C@H]1CCCCN1CCNC(=O)N 7c28f485b4b43574ebf09a28537f5937 [0,0,0,1,0,1|2,0,0]=4 5187 B13R1.158 C[C@H]1CCCC[C@@H]1NCCC(=O)N c7a4e397e9fe1a6eaaad954ac56cec1f [0,0,0,1,0,1|1,0,0]=3 5188 B13R1.158 C[C@H]1CCCC[C@@H]1NCCC(=O)O 06def0c103161c5828f1687f2b71a4ac [0,0,0,1,0,1|0,0,0]=2 5189 B13R1.158 C[C@H]1CCCC[C@@H]1NCCS(=O)C 69df524aaafef82ce794093814c2df62 [0,0,0,1,0,1|2,0,0]=4 5190 B13R1.158 C[C@H]1CCCC[C@@H]1NCSC(=O)N 91a1e083753fe29d966d0b7659191588 [0,0,0,1,0,1|2,0,0]=4 5191 B13R1.158 C[C@H]1CCCC[C@@H]1OCCC(=O)N 233908e20c3d39dcfa35c1516db40533 [0,0,0,1,0,1|1,0,0]=3 5192 B13R1.158 C[C@H]1CCCC[C@@H]1OCCC(=O)O 684a9187d1a4b0b817532ec3cc0b62c7 [0,0,0,1,0,1|0,0,0]=2 5193 B13R1.158 C[C@H]1CCCC[C@@H]1OCCS(=O)C 0cd8b536fed84397244402d5f6543e13 [0,0,0,1,0,1|2,0,0]=4 5194 B13R1.158 C[C@H]1CCCC[C@@H]1OCSC(=O)N 4091f181a0c49d19a2bd2e39d47d78eb [0,0,0,1,0,1|2,0,0]=4 5195 B13R1.158 C[C@H]1CCCC[C@H]1NCCC(=O)N a178ca822d14f883416c14585637d567 [0,0,0,1,0,1|1,0,0]=3 5196 B13R1.158 C[C@H]1CCCC[C@H]1NCCC(=O)O b6e976e37238028790257ea61d8508e4 [0,0,0,1,0,1|0,0,0]=2 5197 B13R1.158 C[C@H]1CCCC[C@H]1NCCS(=O)C 370451f63724eeef6cbc871557120ee9 [0,0,0,1,0,1|2,0,0]=4 5198 B13R1.158 C[C@H]1CCCC[C@H]1NCSC(=O)N 89e07d3fd0c6ed829788200eb1fc5a02 [0,0,0,1,0,1|2,0,0]=4 5199 B13R1.158 C[C@H]1CCCC[C@H]1OCCC(=O)N 1083f59f7ce9e9f6500e650faa5f55bc [0,0,0,1,0,1|1,0,0]=3 5200 B13R1.158 C[C@H]1CCCC[C@H]1OCCC(=O)O fc7e2c2d95253e955ab98ea49ac717f7 [0,0,0,1,0,1|0,0,0]=2 5201 B13R1.158 C[C@H]1CCCC[C@H]1OCCS(=O)C f52c6e4b8935626e0d5e8bfea54482e0 [0,0,0,1,0,1|2,0,0]=4 5202 B13R1.158 C[C@H]1CCCC[C@H]1OCSC(=O)N e56eb1cec1ca557c5868ed1168658eed [0,0,0,1,0,1|2,0,0]=4 5203 B13R1.158 C[C@H]1COCCN1CCCC(=O)O 1556637c9e5874e9a3ed0e3b24156c4b [0,0,0,1,0,1|2,0,0]=4 5204 B13R1.158 C[C@H]1COCC[C@H]1NCCC(=O)N dd8becf80b22c18f14e79bdae4464b14 [0,0,0,1,0,1|2,0,0]=4 5205 B13R1.158 C[C@H]1COCC[C@H]1NCCC(=O)O 1b3d384d324c4eee003eb2979510423f [0,0,0,1,0,1|1,0,0]=3 5206 B13R1.158 NC(=O)CCNC1CCCCC1F 5c31dacd18abcb7bc69375fc6af05faa [0,0,0,1,0,1|2,0,0]=4 5207 B13R1.158 NC(=O)CCNC1CCCCC1O f25963dc5418c9cda00bebd3879ddcaa [0,0,0,1,0,1|2,0,0]=4 5208 B13R1.158 NC(=O)CCN[C@@H]1CCCC[C@H]1O 3153be174aa3c97515e5ec83810bcf8a [0,0,0,1,0,1|2,0,0]=4 5209 B13R1.158 NC(=O)CCN[C@H]1CCCC[C@@H]1O fa9b14fde296f3887ce994bb4792e3f3 [0,0,0,1,0,1|2,0,0]=4 5210 B13R1.158 NC(=O)CCN[C@H]1CCCC[C@H]1O 4ca4628abc1d0e5eaed94e2ee0335cbf [0,0,0,1,0,1|2,0,0]=4 5211 B13R1.158 NC(=O)CCOC1CCCCC1F 2dd1758b226930f62909cf65e0c7e07a [0,0,0,1,0,1|2,0,0]=4 5212 B13R1.158 NC(=O)CCO[C@@H]1CCCC[C@H]1F ba2703f08d6fb8172e437efbd6ead807 [0,0,0,1,0,1|2,0,0]=4 5213 B13R1.158 NC(=O)CNCC1CCCCC1O 94c6bc60fc436bdc6f651a1b9109bda9 [0,0,0,1,0,1|2,0,0]=4 5214 B13R1.158 O=C(O)CCNC1CCCCC1F 2ee3501a4969ee8458cccbdb0b3720fa [0,0,0,1,0,1|1,0,0]=3 5215 B13R1.158 O=C(O)CCNC1CCCCC1O 137f42562a74b7d1a1e7730591773b56 [0,0,0,1,0,1|1,0,0]=3 5216 B13R1.158 O=C(O)CCNC1CCOCC1O 93d79f8d17dc004610daea0ef3c1b482 [0,0,0,1,0,1|2,0,0]=4 5217 B13R1.158 O=C(O)CCN[C@@H]1CCCC[C@H]1O c1881e9c8d64ff6a50d8f8d17ef3c192 [0,0,0,1,0,1|1,0,0]=3 5218 B13R1.158 O=C(O)CCN[C@@H]1CCOC[C@@H]1O 8247adf24e4b0066551031c8090ba7f8 [0,0,0,1,0,1|2,0,0]=4 5219 B13R1.158 O=C(O)CCN[C@@H]1CCOC[C@H]1F 53114c301a5fa71bacd9ebe72360a9fd [0,0,0,1,0,1|2,0,0]=4 5220 B13R1.158 O=C(O)CCN[C@@H]1CCOC[C@H]1O cb63b0069fadb001750504a4f2f80e08 [0,0,0,1,0,1|2,0,0]=4 5221 B13R1.158 O=C(O)CCN[C@@H]1COCC[C@@H]1O 454ea963209d19ee7fe7b98dcbcef715 [0,0,0,1,0,1|2,0,0]=4 5222 B13R1.158 O=C(O)CCN[C@@H]1COCC[C@H]1O ce083666c8e1c794a8b8cfb060a3eec9 [0,0,0,1,0,1|2,0,0]=4 5223 B13R1.158 O=C(O)CCN[C@H]1CCCC[C@@H]1O f752ab52ae6f5c54f3085856e258397b [0,0,0,1,0,1|1,0,0]=3 5224 B13R1.158 O=C(O)CCN[C@H]1CCCC[C@H]1O c1b83dcbb619cd421892efc6e0714604 [0,0,0,1,0,1|1,0,0]=3 5225 B13R1.158 O=C(O)CCN[C@H]1CCOC[C@@H]1F 8975cb2fa86ac0b02da3de15f4913fb4 [0,0,0,1,0,1|2,0,0]=4 5226 B13R1.158 O=C(O)CCN[C@H]1CCOC[C@@H]1O 14d3ced7e6a24c51a69bb49e79ee3d50 [0,0,0,1,0,1|2,0,0]=4 5227 B13R1.158 O=C(O)CCN[C@H]1CCOC[C@H]1O 095a430e25a8422a4fdb6f5223a69cd6 [0,0,0,1,0,1|2,0,0]=4 5228 B13R1.158 O=C(O)CCN[C@H]1COCC[C@@H]1O fcd5e8001ad170137651bd1e6cf1f1d2 [0,0,0,1,0,1|2,0,0]=4 5229 B13R1.158 O=C(O)CCN[C@H]1COCC[C@H]1O 43735487cc615151b8766882dde7257e [0,0,0,1,0,1|2,0,0]=4 5230 B13R1.158 O=C(O)CCOC1CCCCC1F 1be445ea0facfbad12f91a3a5e2b224a [0,0,0,1,0,1|1,0,0]=3 5231 B13R1.158 O=C(O)CCOC1CCOCC1F 7a18e78d7aa5d8f6533be0e6305bccde [0,0,0,1,0,1|2,0,0]=4 5232 B13R1.158 O=C(O)CCO[C@@H]1CCCC[C@H]1F 1bddad5d6b442dfe5deb3ce6e3e5b82e [0,0,0,1,0,1|1,0,0]=3 5233 B13R1.158 O=C(O)CCO[C@@H]1CCOC[C@@H]1F 391246c2a295e96c8d45a5c62c49a27f [0,0,0,1,0,1|2,0,0]=4 5234 B13R1.158 O=C(O)CCO[C@H]1CCOC[C@@H]1F 1ab1223641afa128e69d1d2f17ee9b03 [0,0,0,1,0,1|2,0,0]=4 5235 B13R1.158 O=C(O)CCO[C@H]1CCOC[C@H]1F bf8f19973fb082a990f17c71ce0e95c9 [0,0,0,1,0,1|2,0,0]=4 5236 B13R1.158 O=C(O)CNCC1CCCCC1O 8b32aac0db9d4b641f6a976923480ec5 [0,0,0,1,0,1|1,0,0]=3 5237 B13R1.158 O=C(O)CNCC1CSCCC1O cee7217dbf106922174633c2ba67ce3d [0,0,0,1,0,1|2,0,0]=4 5238 B13R1.158 O=C(O)COCC1CCCCC1=O bd8fff985620b5e2bc60e26ac87cdfa4 [0,0,0,1,0,1|1,0,1]=4 5239 B13R1.158 O=S(O)CCNC1CCCCC1F f2f55e75fc255d57c0b6181e9384d3cd [0,0,0,1,0,1|2,0,0]=4 5240 B13R1.158 O=S(O)CCNC1CCCCC1O a005814e323593e42c45e1f0994c1b35 [0,0,0,1,0,1|2,0,0]=4 5241 B13R1.158 O=S(O)CCN[C@H]1CCCC[C@@H]1O 5bd772217d250d920b8999cdd1f3f1ff [0,0,0,1,0,1|2,0,0]=4 5242 B13R1.218 COCC1CCN1CCCC(=O)O f2cdf0f0a6114b33a3cc76603a2761f8 [0,0,0,1,0,1|2,0,0]=4 5243 B13R1.218 COC[C@@H]1CCN1CCCC(=O)O 7e379022d093745b6570459b799eee96 [0,0,0,1,0,1|2,0,0]=4 5244 B13R1.218 COC[C@H]1CCN1CCCC(=O)O 79fcfccb898ef1394b406b8688fa94d4 [0,0,0,1,0,1|2,0,0]=4 5245 B13R1.218 O=C(O)CCCN1CCC1CCO 49c92d1ae334188f913600b796dc7f77 [0,0,0,1,0,1|2,0,0]=4 5246 B13R1.478 CCOC[C@@H]1CC[C@@H]1COC(=O)C 98c3f24e9e45e6f5d1858889d1287149 [0,0,0,1,0,1|2,0,0]=4 5247 B13R1.478 CCOC[C@H]1CC[C@H]1COC(=O)C 78b90e52d19634133d6c57d772e7f677 [0,0,0,1,0,1|2,0,0]=4 5248 B13R1.488 CCCOC1CCCC(=O)CCC1 4916ae53615f107c052da48fad682488 [0,0,0,1,0,1|2,0,0]=4 5249 B13R1.498 CCCCN1CCC(C1)CC(=O)N 007827bf223d3e8b52e3aac76fdf31b5 [0,0,0,1,0,1|2,0,0]=4 5250 B13R1.498 CCCCN1CCC(C1)CC(=O)O 1bbef752f76d44139c12affa58863452 [0,0,0,1,0,1|1,0,0]=3 5251 B13R1.498 CCCCN1CCC(C1)NC(=O)C bf8bf819ce7c05f94e034405996c6da6 [0,0,0,1,0,1|2,0,0]=4 5252 B13R1.498 CCCCN1CC[C@@H](C1)CC(=O)N 253e4598017067d0a583dabbdc1b91c8 [0,0,0,1,0,1|2,0,0]=4 5253 B13R1.498 CCCCN1CC[C@@H](C1)CC(=O)O 2656b1473272f76077193d59f6a468e1 [0,0,0,1,0,1|1,0,0]=3 5254 B13R1.498 CCCCN1CC[C@@H](C1)NC(=O)C ac1a4bf3eadd0dcfb4f67def89d9347d [0,0,0,1,0,1|2,0,0]=4 5255 B13R1.498 CCCCN1CC[C@H](C1)CC(=O)N d67616ac7ea3f44d0c52808e5e3258e2 [0,0,0,1,0,1|2,0,0]=4 5256 B13R1.498 CCCCN1CC[C@H](C1)CC(=O)O 2af9afad79e562dab357bf51eb5b09e5 [0,0,0,1,0,1|1,0,0]=3 5257 B13R1.498 CCCCN1CC[C@H](C1)NC(=O)C 85c35249089f10da68c8fbb831464452 [0,0,0,1,0,1|2,0,0]=4 5258 B13R1.498 CCCN[C@@H]1CCN(C1)CC(=O)O d6e99d1cf796b155b85892c864e67f1c [0,0,0,1,0,1|1,0,0]=3 5259 B13R1.498 CCCN[C@H]1CCN(C1)CC(=O)O 9b60a0e8a723ff17ecdc2615b604b41b [0,0,0,1,0,1|1,0,0]=3 5260 B13R1.498 CCCOC1CCN(C1)CC(=O)N 9fc7fd4ca7de4997dd096a372d26c6fb [0,0,0,1,0,1|2,0,0]=4 5261 B13R1.498 CCCOC1CCN(C1)CC(=O)O b183630e08ef983ff715e338f4d1e95c [0,0,0,1,0,1|1,0,0]=3 5262 B13R1.498 CCCO[C@@H]1CCN(C1)CC(=O)N dd92813f8bdecc9c84f199c737765cd6 [0,0,0,1,0,1|2,0,0]=4 5263 B13R1.498 CCCO[C@@H]1CCN(C1)CC(=O)O cd008ab31984ea1cdb67a9330c5f96cc [0,0,0,1,0,1|1,0,0]=3 5264 B13R1.498 CCCO[C@@H]1CC[C@H](C1)CC(=O)O 60e6cfef70132d2433f600aab8548af9 [0,0,0,1,0,1|1,0,0]=3 5265 B13R1.498 CCCO[C@H]1CCN(C1)CC(=O)N cd825e76ca86f6cdab9edc9f359f32ad [0,0,0,1,0,1|2,0,0]=4 5266 B13R1.498 CCCO[C@H]1CCN(C1)CC(=O)O fd7e35c0db16944d096dac85eb4c0c27 [0,0,0,1,0,1|1,0,0]=3 5267 B13R1.498 CCCO[C@H]1CC[C@H](C1)CC(=O)O b90b52c7edba4609d50a09eab3223963 [0,0,0,1,0,1|1,0,0]=3 5268 B13R1.498 CCOCC1CCN(C1)CC(=O)N 485b84efd55e3342802537a0e43024cf [0,0,0,1,0,1|2,0,0]=4 5269 B13R1.498 CCOCC1CCN(C1)CC(=O)O bb79dc9fa6e4bcb8de4e960585def9ba [0,0,0,1,0,1|1,0,0]=3 5270 B13R1.498 CCOCN1CCC(C1)CC(=O)O a52e6fd59afac6fc4f8fdba06b637c8f [0,0,0,1,0,1|2,0,0]=4 5271 B13R1.498 CCOCN1CC[C@@H](C1)CC(=O)O 3681f10ec1a13f5490735c150469db19 [0,0,0,1,0,1|2,0,0]=4 5272 B13R1.498 CCOCN1CC[C@H](C1)CC(=O)O c9319c3cf290529bf26e0e258624ca2e [0,0,0,1,0,1|2,0,0]=4 5273 B13R1.498 COCCN1CCC(C1)CC(=O)O 79e706e70c81328dd50284e5f98237f5 [0,0,0,1,0,1|2,0,0]=4 5274 B13R1.498 COCCN1CC[C@@H](C1)CC(=O)O bcee5de8ea024e27d9ab1a41573de024 [0,0,0,1,0,1|2,0,0]=4 5275 B13R1.498 COCCN1CC[C@H](C1)CC(=O)O fc28f89cee5b1501c9819a9fe62b2db4 [0,0,0,1,0,1|2,0,0]=4 5276 B13R1.498 COCN[C@@H]1CCN(C1)CC(=O)O b8e10243cb29ee3827689d15060c6a73 [0,0,0,1,0,1|2,0,0]=4 5277 B13R1.498 COCN[C@H]1CCN(C1)CC(=O)O 1553cfb117cd16339e71ca46f1b60135 [0,0,0,1,0,1|2,0,0]=4 5278 B13R1.498 COCOC1CCN(C1)CC(=O)O 7230bcabbd510cbd3e55a4e08aa830b6 [0,0,0,1,0,1|2,0,0]=4 5279 B13R1.498 COCO[C@@H]1CCN(C1)CC(=O)O b77cbfba6465bc183c4a1cb5694eff79 [0,0,0,1,0,1|2,0,0]=4 5280 B13R1.498 COCO[C@@H]1CC[C@H](C1)CC(=O)O b2873a599a5c45786752491fb4692eb1 [0,0,0,1,0,1|2,0,0]=4 5281 B13R1.498 COCO[C@H]1CC[C@H](C1)CC(=O)O f5676d620c516ff3cd3a4394e5f587a6 [0,0,0,1,0,1|2,0,0]=4 5282 B13R1.498 CSCCN1CCC(C1)CC(=O)O 51e11002c1ceb16c9e1e099c56a4d602 [0,0,0,1,0,1|2,0,0]=4 5283 B13R1.498 CSCCN1CC[C@@H](C1)CC(=O)O 72bc326df37fedf8828ba7bcbd3fa265 [0,0,0,1,0,1|2,0,0]=4 5284 B13R1.498 CSCCN1CC[C@H](C1)CC(=O)O 07686b6dfabb796b4a36a69be2eb304b [0,0,0,1,0,1|2,0,0]=4 5285 B13R1.498 CSCN[C@@H]1CCN(C1)CC(=O)O 49b04108978083302ad53981afc4d14c [0,0,0,1,0,1|2,0,0]=4 5286 B13R1.498 CSCN[C@H]1CCN(C1)CC(=O)O 0e956a78510f818e700c22c3399e3a1b [0,0,0,1,0,1|2,0,0]=4 5287 B13R1.498 CSCOC1CCN(C1)CC(=O)O e6ceb3223fe24f31acf890d305a76968 [0,0,0,1,0,1|2,0,0]=4 5288 B13R1.498 CSCO[C@@H]1CCN(C1)CC(=O)O 3de60b1f142511a73f0dd8307a18f562 [0,0,0,1,0,1|2,0,0]=4 5289 B13R1.498 CSCO[C@@H]1CC[C@H](C1)CC(=O)O 28e41d27914675fd15f77501f4d255ba [0,0,0,1,0,1|2,0,0]=4 5290 B13R1.498 CSCO[C@H]1CC[C@H](C1)CC(=O)O cab9d13cb0d5b116735a3a776c46138e [0,0,0,1,0,1|2,0,0]=4 5291 B13R1.498 O=C(O)CC1CCN(C1)CCCF 6994963fc3501b09294dcaf335921180 [0,0,0,1,0,1|2,0,0]=4 5292 B13R1.498 O=C(O)CC1CCN(C1)CCCO fe0364769733f7ed1a1a7e5a039e2fe5 [0,0,0,1,0,1|2,0,0]=4 5293 B13R1.498 O=C(O)CC1CCN(C1)CCCS fda39efbcf063c7ad3b837a5e2d51288 [0,0,0,1,0,1|2,0,0]=4 5294 B13R1.498 O=C(O)CN1CCC(C1)OCCF fb2d901a2245d57ea9706f84c5eb400b [0,0,0,1,0,1|2,0,0]=4 5295 B13R1.498 O=C(O)CN1CCC(C1)OCCS b1ca5141051acbdbd2440607af25f884 [0,0,0,1,0,1|2,0,0]=4 5296 B13R1.498 O=C(O)CN1CC[C@@H](C1)NCCF ea55b405d77d4eed0d54d2ba626a06b5 [0,0,0,1,0,1|2,0,0]=4 5297 B13R1.498 O=C(O)CN1CC[C@@H](C1)NCCO a709f6dc1898cad213ffc159c64aa21d [0,0,0,1,0,1|2,0,0]=4 5298 B13R1.498 O=C(O)CN1CC[C@@H](C1)NCCS 97c64909fbbaf69c306b40a545d551dc [0,0,0,1,0,1|2,0,0]=4 5299 B13R1.498 O=C(O)CN1CC[C@H](C1)NCCF 25ae9e6472282acef865a345ce72d5d1 [0,0,0,1,0,1|2,0,0]=4 5300 B13R1.498 O=C(O)CN1CC[C@H](C1)NCCO 804353d402dd155e65e4221e9a9736cd [0,0,0,1,0,1|2,0,0]=4 5301 B13R1.498 O=C(O)CN1CC[C@H](C1)NCCS 912e29064016304c93afe39699d1964d [0,0,0,1,0,1|2,0,0]=4 5302 B13R1.498 O=C(O)CN1CC[C@H](C1)OCCF 7aeba2c7da7ec8263f3684bbb980faa7 [0,0,0,1,0,1|2,0,0]=4 5303 B13R1.498 O=C(O)CN1CC[C@H](C1)OCCS 3269cc102b163a20bfb3f4234125419e [0,0,0,1,0,1|2,0,0]=4 5304 B13R1.498 O=C(O)C[C@@H]1CCN(C1)CCCF 711094df99d5867ec89b760d397cde20 [0,0,0,1,0,1|2,0,0]=4 5305 B13R1.498 O=C(O)C[C@@H]1CCN(C1)CCCO 4c87eab47c18c54fa261e6927bf5f821 [0,0,0,1,0,1|2,0,0]=4 5306 B13R1.498 O=C(O)C[C@@H]1CCN(C1)CCCS a0831f3cb5fdbad9545c64be7888f8fd [0,0,0,1,0,1|2,0,0]=4 5307 B13R1.498 O=C(O)C[C@@H]1CC[C@@H](C1)OCCF 18dc261822ea622cb54aab08352f2ef7 [0,0,0,1,0,1|2,0,0]=4 5308 B13R1.498 O=C(O)C[C@@H]1CC[C@@H](C1)OCCS c1bb11d4767b8cacc826166bc358e206 [0,0,0,1,0,1|2,0,0]=4 5309 B13R1.498 O=C(O)C[C@@H]1CC[C@H](C1)OCCF 1ee43e39bf93f2765339cb136833c4ca [0,0,0,1,0,1|2,0,0]=4 5310 B13R1.498 O=C(O)C[C@@H]1CC[C@H](C1)OCCS 0be8a9bb63b3e1da4bb016bb83652fff [0,0,0,1,0,1|2,0,0]=4 5311 B13R1.498 O=C(O)C[C@H]1CCN(C1)CCCF e8c831cb77bfed829356d8c29c9bdb13 [0,0,0,1,0,1|2,0,0]=4 5312 B13R1.498 O=C(O)C[C@H]1CCN(C1)CCCO 4f976b675bdea363098a8ccbc36f60e5 [0,0,0,1,0,1|2,0,0]=4 5313 B13R1.498 O=C(O)C[C@H]1CCN(C1)CCCS 2c2e89d927194a8e56113ad96ff69cdb [0,0,0,1,0,1|2,0,0]=4 5314 B13R1.501 CCCCN1CC[C@@H]([C@H]1C)C(=O)O 3e264400252531fee1c82fa08d490b80 [0,0,0,1,0,1|1,0,0]=3 5315 B13R1.501 CCOCN1CC[C@@H]([C@H]1C)C(=O)O f8fdadce5d99698e481654155325de71 [0,0,0,1,0,1|2,0,0]=4 5316 B13R1.501 COCCN1CC[C@@H]([C@H]1C)C(=O)O f8b06564e3582d6a2c63360de6e2ff6e [0,0,0,1,0,1|2,0,0]=4 5317 B13R1.501 CSCCN1CC[C@@H]([C@H]1C)C(=O)O f37ad75c85844997a9512f5c7473cf58 [0,0,0,1,0,1|2,0,0]=4 5318 B13R1.501 C[C@@H]1[C@H](CCN1CCCF)C(=O)O 90f72eb7fa6c8f92d0da885766c09654 [0,0,0,1,0,1|2,0,0]=4 5319 B13R1.501 C[C@@H]1[C@H](CCN1CCCO)C(=O)O 490712385ff6d70fc081cbcc810cbadb [0,0,0,1,0,1|2,0,0]=4 5320 B13R1.501 C[C@@H]1[C@H](CCN1CCCS)C(=O)O cb5f8d5de57110506f4ada71494a1c32 [0,0,0,1,0,1|2,0,0]=4 5321 B13R1.513 C=C(Br)CCOC1CCC(CC1)C f56445f6c74ce6086108db86aece559b [0,0,0,1,0,1|2,0,0]=4 5322 B13R1.513 C=C(Br)CNCC1CCC(CC1)C 8fc293223c243c898e2f224567a20c4e [0,0,0,1,0,1|2,0,0]=4 5323 B13R1.513 C=C(Br)COCC1CCC(CC1)C f1210a457f8ec8c9e737d89a4a36bc32 [0,0,0,1,0,1|2,0,0]=4 5324 B13R1.513 C=C(Br)COC[C@H]1CC[C@@H](CC1)C b08d299218e57d80365d9c01d5714f0b [0,0,0,1,0,1|2,0,0]=4 5325 B13R1.513 C=C(Br)COC[C@H]1CC[C@H](CC1)C 06067451395a0cd6e11f4188f5001fa3 [0,0,0,1,0,1|2,0,0]=4 5326 B13R1.513 C=C(C)CCNC1CCC(CC1)C fdd8c6cf80ea43b259afe56d84f590b4 [0,0,0,1,0,1|2,0,0]=4 5327 B13R1.513 C=C(C)CCN[C@H]1CC[C@@H](CC1)C c90ef30bd98beb5ba68601825f0b2cf7 [0,0,0,1,0,1|2,0,0]=4 5328 B13R1.513 C=C(C)CCN[C@H]1CC[C@H](CC1)C 2e972b66dd8f5323a139bb25f6113865 [0,0,0,1,0,1|2,0,0]=4 5329 B13R1.513 C=C(C)CCOC1CCC(CC1)C a210d2c2f8c9ecbc5b074b1120b8ee50 [0,0,0,1,0,1|2,0,0]=4 5330 B13R1.513 C=C(C)CCO[C@H]1CC[C@@H](CC1)C 99ef65be7361a2c9e821f393d290c13a [0,0,0,1,0,1|2,0,0]=4 5331 B13R1.513 C=C(C)CCO[C@H]1CC[C@H](CC1)C bba1333d5cb1ea44f4da6ebed3b4d86d [0,0,0,1,0,1|2,0,0]=4 5332 B13R1.513 C=C(C)CNCC1CCC(CC1)C 21591580d925bafdc72cc43b3886e585 [0,0,0,1,0,1|2,0,0]=4 5333 B13R1.513 C=C(C)COCC1CCC(CC1)C 35770a8322fa13fec6db4d08a6e6d3b2 [0,0,0,1,0,1|2,0,0]=4 5334 B13R1.513 C=C(C)COC[C@H]1CC[C@@H](CC1)C 058b52608553511b3d711c67249b8ed7 [0,0,0,1,0,1|2,0,0]=4 5335 B13R1.513 C=C(C)COC[C@H]1CC[C@H](CC1)C fa3b9424905e98f6fac713cccf69d1c7 [0,0,0,1,0,1|2,0,0]=4 5336 B13R1.513 C=C(Cl)CNCC1CCC(CC1)C f844e5451ebd8a62441dc07a673fa0e1 [0,0,0,1,0,1|2,0,0]=4 5337 B13R1.513 C=C(Cl)COCC1CCC(CC1)C 811f57e3b33dd838f56a0dbbf708b615 [0,0,0,1,0,1|2,0,0]=4 5338 B13R1.513 C=C(Cl)COC[C@H]1CC[C@@H](CC1)C 1684878032e7b59cceece5d614da14a1 [0,0,0,1,0,1|2,0,0]=4 5339 B13R1.513 C=C(Cl)COC[C@H]1CC[C@H](CC1)C d8fb362062dcce81813afcd618277afe [0,0,0,1,0,1|2,0,0]=4 5340 B13R1.513 C=C(F)CNCC1CCC(CC1)C 2b090abdcbaaa58628a3be0464d314a1 [0,0,0,1,0,1|2,0,0]=4 5341 B13R1.513 C=C(F)COCC1CCC(CC1)C 9941a6b1481eb0273fbeac01254a7727 [0,0,0,1,0,1|2,0,0]=4 5342 B13R1.513 C=C(F)COC[C@H]1CC[C@@H](CC1)C d7255371407c922943c4aa216884fb34 [0,0,0,1,0,1|2,0,0]=4 5343 B13R1.513 C=C(F)COC[C@H]1CC[C@H](CC1)C 1dd3913ec4d11b8fbf88fc3badc43f0d [0,0,0,1,0,1|2,0,0]=4 5344 B13R1.513 C=C(I)COCC1CCC(CC1)C 3297e4aaebd73ad991c8a5107846e5ac [0,0,0,1,0,1|2,0,0]=4 5345 B13R1.513 C=C1CCC(CC1)COCC(=O)O 283e4a9f2b2c7182f1e1b46b5b26e452 [0,0,0,1,0,1|0,0,2]=4 5346 B13R1.513 CC(=O)CCCN1CCC(CC1)C 77a40a47704a2986e96a8cc9b61fbe2b [0,0,0,1,0,1|2,0,0]=4 5347 B13R1.513 CC(=O)CCNC1CCC(CC1)C 358ae4207c771537fec5c4fc1ce49701 [0,0,0,1,0,1|1,0,0]=3 5348 B13R1.513 CC(=O)CCNC1CCC(CC1)Cl 512abf999a99e352bcc2287ab5057f21 [0,0,0,1,0,1|2,0,0]=4 5349 B13R1.513 CC(=O)CCNC1CCC(CC1)O 6325e5c602b375a40866c3710953b56a [0,0,0,1,0,1|2,0,0]=4 5350 B13R1.513 CC(=O)CCNC1CCN(CC1)C 6a24cfc7a44bcd7f83e85005231a6d94 [0,0,0,1,0,1|2,0,0]=4 5351 B13R1.513 CC(=O)CCN[C@H]1CC[C@@H](CC1)C 6582a80445bbcd3a7fbfb6816aeb09d5 [0,0,0,1,0,1|1,0,0]=3 5352 B13R1.513 CC(=O)CCN[C@H]1CC[C@@H](CC1)Cl fc3e85b2fb0fd87b3e64f12ae3e2fec2 [0,0,0,1,0,1|2,0,0]=4 5353 B13R1.513 CC(=O)CCN[C@H]1CC[C@@H](CC1)O 22a2dd006414f2d92743c0c9fd5e4054 [0,0,0,1,0,1|2,0,0]=4 5354 B13R1.513 CC(=O)CCN[C@H]1CC[C@H](CC1)C e1d95122dd39cf94b35615e3f705a028 [0,0,0,1,0,1|1,0,0]=3 5355 B13R1.513 CC(=O)CCN[C@H]1CC[C@H](CC1)Cl c80058b38b0084f6e4218397b0e6ebfa [0,0,0,1,0,1|2,0,0]=4 5356 B13R1.513 CC(=O)CCN[C@H]1CC[C@H](CC1)O fd9aa6a6c80831ed697176ce8ec9fb06 [0,0,0,1,0,1|2,0,0]=4 5357 B13R1.513 CC(=O)CCOC1CCC(CC1)C 785a87aa466be5beed2e28bcdfc308be [0,0,0,1,0,1|1,0,0]=3 5358 B13R1.513 CC(=O)CCOC1CCC(CC1)F 90728e207d6721b2b71481a546a76f6c [0,0,0,1,0,1|2,0,0]=4 5359 B13R1.513 CC(=O)CCOC1CCN(CC1)C 84d27d6975cdd407faacac97305816f4 [0,0,0,1,0,1|2,0,0]=4 5360 B13R1.513 CC(=O)CCO[C@H]1CC[C@@H](CC1)C 4f0f5104d3fdb596b8210541e2e3904a [0,0,0,1,0,1|1,0,0]=3 5361 B13R1.513 CC(=O)CCO[C@H]1CC[C@H](CC1)C 556b6d54c9237e828c85e2cbf66e25c8 [0,0,0,1,0,1|1,0,0]=3 5362 B13R1.513 CC(=O)CNCC1CCC(CC1)C 58c1bb48bae0d672f5a0d2a187c9a155 [0,0,0,1,0,1|1,0,0]=3 5363 B13R1.513 CC(=O)COCC1CCC(CC1)C bd23b79788e66f0537e1e3b279b9833b [0,0,0,1,0,1|1,0,0]=3 5364 B13R1.513 CC(=O)NCCC1CCC(CC1)O c365cc8d846b3bd008dcb8df6b1eda84 [0,0,0,1,0,1|2,0,0]=4 5365 B13R1.513 CC(=O)NCCC1CCN(CC1)C d91d075bed567d7b559183d48a6fb36d [0,0,0,1,0,1|2,0,0]=4 5366 B13R1.513 CC(=O)NCCN1CCC(CC1)C 41b8ddaf92cb001679ddcd258fedef29 [0,0,0,1,0,1|2,0,0]=4 5367 B13R1.513 CC(=O)NCOC1CCC(CC1)C f97d800e4e7159a0d6df256c6943035b [0,0,0,1,0,1|2,0,0]=4 5368 B13R1.513 CC(=O)OCCN1CCC(CC1)C 1c174efd2752310098373a4bc04f2eae [0,0,0,1,0,1|2,0,0]=4 5369 B13R1.513 CC(=O)OCNC1CCC(CC1)C 3a0185e7497c67de2cb8cad83c484f08 [0,0,0,1,0,1|2,0,0]=4 5370 B13R1.513 CC(=O)OCN[C@H]1CC[C@@H](CC1)C 99225a750c46b378e5707157be4ec536 [0,0,0,1,0,1|2,0,0]=4 5371 B13R1.513 CC(=O)OCN[C@H]1CC[C@H](CC1)C 812e48e7950e8344181a1849c703aa12 [0,0,0,1,0,1|2,0,0]=4 5372 B13R1.513 CC(=O)OCOC1CCC(CC1)C 8000f96e5648d29e0f9f0ea615cb7990 [0,0,0,1,0,1|2,0,0]=4 5373 B13R1.513 CC(=O)OCO[C@H]1CC[C@@H](CC1)C 9f30bf1e0cd5de25a2c21a4c2b7ffdc9 [0,0,0,1,0,1|2,0,0]=4 5374 B13R1.513 CC(=O)OCO[C@H]1CC[C@H](CC1)C 016cde6864815ff82897074c7272756a [0,0,0,1,0,1|2,0,0]=4 5375 B13R1.513 CC(=O)SCCN1CCC(CC1)C 1b41e3321fc942cf30330b679e606463 [0,0,0,1,0,1|2,0,0]=4 5376 B13R1.513 CC(O)CCNC1CCC(CC1)C a4e05ff8940593d90c008acc5c642ea7 [0,0,0,1,0,1|1,0,1]=4 5377 B13R1.513 CC(O)CCN[C@H]1CC[C@@H](CC1)C 114f97b116b6775243656ea01788b35e [0,0,0,1,0,1|1,0,1]=4 5378 B13R1.513 CC(O)CCN[C@H]1CC[C@H](CC1)C e5ab64e9c5250c725163668de3b6d0bb [0,0,0,1,0,1|1,0,1]=4 5379 B13R1.513 CC(O)CNCC1CCC(CC1)C 13cd893b1a76600190f548c844007aaa [0,0,0,1,0,1|1,0,1]=4 5380 B13R1.513 CC1=CCC(CC1)COCC(=O)O d0c5586a85e11f32ed84d693700dac9f [0,0,0,1,0,1|0,0,2]=4 5381 B13R1.513 CC1CCC(CC1)CNCC(=O)N 2728b625b3ac4fa5c87b06922bf58636 [0,0,0,1,0,1|1,0,0]=3 5382 B13R1.513 CC1CCC(CC1)CNCC(=O)O e367a7b32ae02c17817e8239b226be0a [0,0,0,1,0,1|0,0,0]=2 5383 B13R1.513 CC1CCC(CC1)CNC[C@@H](C)O 1553732067d41ef563de5a4d6e3db365 [0,0,0,1,0,1|1,0,1]=4 5384 B13R1.513 CC1CCC(CC1)CNC[C@H](C)O e41561079ad072c71ec4675f48d0354a [0,0,0,1,0,1|1,0,1]=4 5385 B13R1.513 CC1CCC(CC1)CNC[N+](=O)[O-] 60e0d81bec98899cac18609ec89a31a9 [0,0,0,1,0,1|1,0,1]=4 5386 B13R1.513 CC1CCC(CC1)COCC(=O)N 577897e7f06192d8d0948c5cbb7a0a71 [0,0,0,1,0,1|1,0,0]=3 5387 B13R1.513 CC1CCC(CC1)COCC(=O)O 41101609964b5114e66e80513e5e2e99 [0,0,0,1,0,1|0,0,0]=2 5388 B13R1.513 CC1CCC(CC1)COCC(=S)N e6ea2cfd1dc32111a6065d2c2681a4df [0,0,0,1,0,1|1,1,0]=4 5389 B13R1.513 CC1CCC(CC1)COCS(=O)O e71996fea9f1e40519da1e65c086aee9 [0,0,0,1,0,1|1,0,0]=3 5390 B13R1.513 CC1CCC(CC1)COC[N+](=O)[O-] 2d1a2aad4c9cacad229367c749564cb8 [0,0,0,1,0,1|1,0,1]=4 5391 B13R1.513 CC1CCC(CC1)NCCC(=O)N 9503ba7e58f0360a492a13b97474333a [0,0,0,1,0,1|1,0,0]=3 5392 B13R1.513 CC1CCC(CC1)NCCC(=O)O 9606a17e57daaae94bea68d6e1b7f2b4 [0,0,0,1,0,1|0,0,0]=2 5393 B13R1.513 CC1CCC(CC1)NCCC(=S)N 4c37d386b30acc7525265384bfaff2ed [0,0,0,1,0,1|1,1,0]=4 5394 B13R1.513 CC1CCC(CC1)NCCS(=O)C b72b6743ea528d49e33defb789dc1a7e [0,0,0,1,0,1|2,0,0]=4 5395 B13R1.513 CC1CCC(CC1)NCCS(=O)O 795f945c0fe42a79fec7a9b5b479c89e [0,0,0,1,0,1|1,0,0]=3 5396 B13R1.513 CC1CCC(CC1)NCC[C@@H](C)O a80afa0131180276b9c6bbf596b68d8e [0,0,0,1,0,1|1,0,1]=4 5397 B13R1.513 CC1CCC(CC1)NCC[C@H](C)O edc60b0baec1ac5a39bc89f41fd20e86 [0,0,0,1,0,1|1,0,1]=4 5398 B13R1.513 CC1CCC(CC1)NCSC(=O)N 996490012aaa8e2a3e28702a47e4cf9e [0,0,0,1,0,1|2,0,0]=4 5399 B13R1.513 CC1CCC(CC1)OCCC(=O)N 4c7b5efc7bfac391193a9b4a68f81176 [0,0,0,1,0,1|1,0,0]=3 5400 B13R1.513 CC1CCC(CC1)OCCC(=O)O 76b455b6fd3d0a1b3db8e9c1ed916c92 [0,0,0,1,0,1|0,0,0]=2 5401 B13R1.513 CC1CCC(CC1)OCCS(=O)C 986a35b28c8c5539c56a2e8e037f04e6 [0,0,0,1,0,1|2,0,0]=4 5402 B13R1.513 CC1CCC(CC1)OCC[N+](=O)[O-] 8f252b69c81cdaa1465c3b3ab2725bf9 [0,0,0,1,0,1|1,0,1]=4 5403 B13R1.513 CC1CCC(CC1)OCNC(=O)N deaa315e10552b514574796099508124 [0,0,0,1,0,1|2,0,0]=4 5404 B13R1.513 CC1CCC(CC1)OCSC(=O)N 48f0dcf062d21b5f52da58d05fa57095 [0,0,0,1,0,1|2,0,0]=4 5405 B13R1.513 CC1CCN(CC1)C/C=C/C(=O)O 74de492d501a01c61b834feed2dbad14 [0,0,0,1,0,1|1,0,1]=4 5406 B13R1.513 CC1CCN(CC1)CC=CC(=O)O ad69b5414c14f8b22eeab0a75aab27fc [0,0,0,1,0,1|1,0,1]=4 5407 B13R1.513 CC1CCN(CC1)CCCC(=O)N 12df363fb12ac39611027b6b4e37e55e [0,0,0,1,0,1|2,0,0]=4 5408 B13R1.513 CC1CCN(CC1)CCCC(=O)O 047a6e91ea116b97df6a037c0624746d [0,0,0,1,0,1|1,0,0]=3 5409 B13R1.513 CC1CCN(CC1)CCNC(=O)N c5a24f0e7942b56ae613eb3b04b75a50 [0,0,0,1,0,1|2,0,0]=4 5410 B13R1.513 CN1CCC(CC1)CNCC(=O)N a3ca380dfda45aa0a2fe9ee380bbf2b3 [0,0,0,1,0,1|2,0,0]=4 5411 B13R1.513 CN1CCC(CC1)CNCC(=O)O 7648f0d9254d5657184ed16164e26426 [0,0,0,1,0,1|1,0,0]=3 5412 B13R1.513 CN1CCC(CC1)COCC(=O)N a5746faae948b9f02ab894d70a4a6657 [0,0,0,1,0,1|2,0,0]=4 5413 B13R1.513 CN1CCC(CC1)COCC(=O)O 01243bc7da96efbda2ddc8fb9261a294 [0,0,0,1,0,1|1,0,0]=3 5414 B13R1.513 CN1CCC(CC1)NCCC(=O)N 4df401b7f38c85e6904437429b1021c9 [0,0,0,1,0,1|2,0,0]=4 5415 B13R1.513 CN1CCC(CC1)NCCC(=O)O 29e1477ce49dd15b4046a58f806c9ca9 [0,0,0,1,0,1|1,0,0]=3 5416 B13R1.513 CN1CCC(CC1)NCCS(=O)O b4636dc1a57180db21ae0abb400e703c [0,0,0,1,0,1|2,0,0]=4 5417 B13R1.513 CN1CCC(CC1)OCCC(=O)N 401d141733a53da73001889c1d8915a1 [0,0,0,1,0,1|2,0,0]=4 5418 B13R1.513 CN1CCC(CC1)OCCC(=O)O 15c6ca9a3c2575fa0e3dc50e1f8e101e [0,0,0,1,0,1|1,0,0]=3 5419 B13R1.513 CN1CCN(CC1)CCCC(=O)O 3c340337a570ff770b6cf4b3fa906a21 [0,0,0,1,0,1|2,0,0]=4 5420 B13R1.513 CS(=O)CCN[C@H]1CC[C@@H](CC1)C 707bf371e0a6da14eff4813e9bbd1d25 [0,0,0,1,0,1|2,0,0]=4 5421 B13R1.513 CS(=O)CCN[C@H]1CC[C@H](CC1)C 0d0deede0e91b79e9ff79fd5827ac0e6 [0,0,0,1,0,1|2,0,0]=4 5422 B13R1.513 CS(=O)CCO[C@H]1CC[C@@H](CC1)C bc0f06bb3dbb6172f7dbc4407c8b91ec [0,0,0,1,0,1|2,0,0]=4 5423 B13R1.513 CS(=O)CCO[C@H]1CC[C@H](CC1)C 2eb8640d8e73587cf06d0bd0e35192a3 [0,0,0,1,0,1|2,0,0]=4 5424 B13R1.513 C[C@H]1CC[C@@H](CC1)COCC(=O)N 2f189660a21343ad675bcd8e4e58c1ef [0,0,0,1,0,1|1,0,0]=3 5425 B13R1.513 C[C@H]1CC[C@@H](CC1)COCC(=O)O 591b43c3aab728effc7a3caaed24bf14 [0,0,0,1,0,1|0,0,0]=2 5426 B13R1.513 C[C@H]1CC[C@@H](CC1)COC[N+](=O)[O-] 8159d32886ae478d8da3efacb650c845 [0,0,0,1,0,1|1,0,1]=4 5427 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)N ebc8558d7b34820f83bc2e138fc939ca [0,0,0,1,0,1|1,0,0]=3 5428 B13R1.513 C[C@H]1CC[C@@H](CC1)NCCC(=O)O c8acf1a5eac6e549467f816d6b36ebd5 [0,0,0,1,0,1|0,0,0]=2 5429 B13R1.513 C[C@H]1CC[C@@H](CC1)NCSC(=O)N 0b25e7504c9885b4995561053113ffef [0,0,0,1,0,1|2,0,0]=4 5430 B13R1.513 C[C@H]1CC[C@@H](CC1)OCCC(=O)N 15c75e9da624f49b6af20eff32970398 [0,0,0,1,0,1|1,0,0]=3 5431 B13R1.513 C[C@H]1CC[C@@H](CC1)OCCC(=O)O dd8ad256e9efe03d505dc05476c4de7f [0,0,0,1,0,1|0,0,0]=2 5432 B13R1.513 C[C@H]1CC[C@@H](CC1)OCSC(=O)N 437976db685bf45b18c4c33a580adc19 [0,0,0,1,0,1|2,0,0]=4 5433 B13R1.513 C[C@H]1CC[C@H](CC1)COCC(=O)N 6cbbb16faf2f21c789b9bafe53b05684 [0,0,0,1,0,1|1,0,0]=3 5434 B13R1.513 C[C@H]1CC[C@H](CC1)COCC(=O)O 66b38169113906a01b4e793004422ac0 [0,0,0,1,0,1|0,0,0]=2 5435 B13R1.513 C[C@H]1CC[C@H](CC1)COC[N+](=O)[O-] 64cdab8b296ffa22923764551ad92aae [0,0,0,1,0,1|1,0,1]=4 5436 B13R1.513 C[C@H]1CC[C@H](CC1)NCCC(=O)N b63c83c5d9959e4ab2ca832569fbdafa [0,0,0,1,0,1|1,0,0]=3 5437 B13R1.513 C[C@H]1CC[C@H](CC1)NCCC(=O)O e0b5f46c7b64e7da66d1fc031eb88936 [0,0,0,1,0,1|0,0,0]=2 5438 B13R1.513 C[C@H]1CC[C@H](CC1)NCSC(=O)N 77e9f608d52a7840b9161f3aa0b0a718 [0,0,0,1,0,1|2,0,0]=4 5439 B13R1.513 C[C@H]1CC[C@H](CC1)OCCC(=O)N 01999853c620df0c08f6437e39737c7f [0,0,0,1,0,1|1,0,0]=3 5440 B13R1.513 C[C@H]1CC[C@H](CC1)OCCC(=O)O 3ce5255c9ea5b65a28aeee7855245a40 [0,0,0,1,0,1|0,0,0]=2 5441 B13R1.513 C[C@H]1CC[C@H](CC1)OCSC(=O)N 22d50f2df1aa83248959fb65f2ef7ec1 [0,0,0,1,0,1|2,0,0]=4 5442 B13R1.513 NC(=O)CCNC1CCC(CC1)Cl 5a8da7da161b613d2aaba0344f015a33 [0,0,0,1,0,1|2,0,0]=4 5443 B13R1.513 NC(=O)CCNC1CCC(CC1)O ee343af9a421c9bc7d10a29724c23678 [0,0,0,1,0,1|2,0,0]=4 5444 B13R1.513 NC(=O)CCN[C@H]1CC[C@@H](CC1)Cl 4a6a648284c1494428a705e1f3701d8b [0,0,0,1,0,1|2,0,0]=4 5445 B13R1.513 NC(=O)CCN[C@H]1CC[C@@H](CC1)O cc5a07c0678d46694863c2c2447790af [0,0,0,1,0,1|2,0,0]=4 5446 B13R1.513 NC(=O)CCN[C@H]1CC[C@H](CC1)Cl 1fc0a07f43ba3656d117e83542badb1e [0,0,0,1,0,1|2,0,0]=4 5447 B13R1.513 NC(=O)CCN[C@H]1CC[C@H](CC1)O a61eb7330721f24b66019ab68c03500c [0,0,0,1,0,1|2,0,0]=4 5448 B13R1.513 NC(=O)CCOC1CCC(CC1)F 1c6d828cb6d1fd6af4b6942e4e82df7f [0,0,0,1,0,1|2,0,0]=4 5449 B13R1.513 NC(=O)CNCC1CCC(CC1)Cl 5467d1375096c12c3fa3a26345d66469 [0,0,0,1,0,1|2,0,0]=4 5450 B13R1.513 NC(=O)CNCC1CCC(CC1)O 8180640dc20b45eec3303f37920e1a7d [0,0,0,1,0,1|2,0,0]=4 5451 B13R1.513 NC(=O)CNC[C@H]1CC[C@@H](CC1)F 3800ddd067bf7efd8c57017bdaa14a76 [0,0,0,1,0,1|2,0,0]=4 5452 B13R1.513 NC(=O)CNC[C@H]1CC[C@@H](CC1)O 825dcb74b5b208cd3d165392c27639c0 [0,0,0,1,0,1|2,0,0]=4 5453 B13R1.513 NC(=O)CNC[C@H]1CC[C@H](CC1)F 2ed9cfd760aa016d5cbe23f8354f8267 [0,0,0,1,0,1|2,0,0]=4 5454 B13R1.513 O=C(O)CCCN1CCC(CC1)O 0eb35abf5cf2f6dcfa5becee95cb45bc [0,0,0,1,0,1|2,0,0]=4 5455 B13R1.513 O=C(O)CCNC1CCC(CC1)Cl 6b9ef2fbc1b5a3c838098f85ba77dc4b [0,0,0,1,0,1|1,0,0]=3 5456 B13R1.513 O=C(O)CCNC1CCC(CC1)O 5b2e33c87bcfc54f836a5e03afa6a5ef [0,0,0,1,0,1|1,0,0]=3 5457 B13R1.513 O=C(O)CCN[C@H]1CC[C@@H](CC1)Cl e26570649847819ad0869e3c5f994324 [0,0,0,1,0,1|1,0,0]=3 5458 B13R1.513 O=C(O)CCN[C@H]1CC[C@@H](CC1)O 730bcb6a374f2c681abf4c4bb7c80727 [0,0,0,1,0,1|1,0,0]=3 5459 B13R1.513 O=C(O)CCN[C@H]1CC[C@H](CC1)Cl e3ed86f884b2efcab1fccc19670c9a59 [0,0,0,1,0,1|1,0,0]=3 5460 B13R1.513 O=C(O)CCN[C@H]1CC[C@H](CC1)O ec505f4d7f2b70a4f380dcd7969664fc [0,0,0,1,0,1|1,0,0]=3 5461 B13R1.513 O=C(O)CCOC1CCC(=O)CC1 468bbefa5150633fdf121539a6f0e41c [0,0,0,1,0,1|1,0,1]=4 5462 B13R1.513 O=C(O)CCOC1CCC(CC1)F 2a4ed6a210f2ad99e61c41195f3ca028 [0,0,0,1,0,1|1,0,0]=3 5463 B13R1.513 O=C(O)CNCC1CCC(CC1)Cl a39f61c17e017d91157bb0cd460f5c9a [0,0,0,1,0,1|1,0,0]=3 5464 B13R1.513 O=C(O)CNCC1CCC(CC1)O ef812e11a38d8e0b12d11bb64d14bef5 [0,0,0,1,0,1|1,0,0]=3 5465 B13R1.513 O=C(O)CNC[C@H]1CC[C@@H](CC1)F ef9b21a3c5d6f0c967b553630debfa5b [0,0,0,1,0,1|1,0,0]=3 5466 B13R1.513 O=C(O)CNC[C@H]1CC[C@@H](CC1)O 0eda90f677e84b030baea7618fb7909a [0,0,0,1,0,1|1,0,0]=3 5467 B13R1.513 O=C(O)CNC[C@H]1CC[C@H](CC1)F a52cf96a4afbe810dc19804723a6df95 [0,0,0,1,0,1|1,0,0]=3 5468 B13R1.513 O=C(O)COCC1CCC(=O)CC1 96588c04169b7521c73497d28e9ba1cb [0,0,0,1,0,1|1,0,1]=4 5469 B13R1.513 O=S(O)CCNC1CCC(CC1)O 2ea63ca92ccac3a7889212d3b1c80f84 [0,0,0,1,0,1|2,0,0]=4 5470 B13R1.1195 C=C1CC1COC(CC)CCCC 103c612b40120fc9f93bac76a64d35cb [0,0,0,1,0,1|2,0,0]=4 5471 B13R1.1650 CCCCN1CCNC(=O)CC1C b7a5e331c0b0a8246fe31a5fea290e8d [0,0,0,1,0,1|2,0,0]=4 5472 B13R1.1949 COCCC1(CC1)CNCC(=O)N 880a45417e32e7d5023eb1f9970fbd23 [0,0,0,1,0,1|2,0,0]=4 5473 B13R1.1949 COCCC1(CC1)CNCC(=O)O 737887a754172b0344cb80bea4772bfa [0,0,0,1,0,1|1,0,0]=3 5474 B13R1.1988 C=C(Br)CCOC1CCCCCC1 526bfd40d09c14d7036d5f981b93a1ce [0,0,0,1,0,1|2,0,0]=4 5475 B13R1.1988 C=C(Br)CNCC1CCCCCC1 af110d6d1bfce456a585cbc0cd9f02d8 [0,0,0,1,0,1|2,0,0]=4 5476 B13R1.1988 C=C(Br)COCC1CCCCCC1 5a56bafe7cc49ac3ca92c17739bd61d8 [0,0,0,1,0,1|2,0,0]=4 5477 B13R1.1988 C=C(C)CCNC1CCCCCC1 ff835d641957b0892f1ed6253a58d4f3 [0,0,0,1,0,1|2,0,0]=4 5478 B13R1.1988 C=C(C)CCOC1CCCCCC1 bb4a8ad6a2a06cd9e0186250687d9a3e [0,0,0,1,0,1|2,0,0]=4 5479 B13R1.1988 C=C(C)CNCC1CCCCCC1 63390056effee502d1a532f5af5b3cbb [0,0,0,1,0,1|2,0,0]=4 5480 B13R1.1988 C=C(C)COCC1CCCCCC1 27a5bc6ce4ff7a67161f8c766bd81bbc [0,0,0,1,0,1|2,0,0]=4 5481 B13R1.1988 C=C(Cl)CNCC1CCCCCC1 e0430a2de8aed3528c7902d7408c4270 [0,0,0,1,0,1|2,0,0]=4 5482 B13R1.1988 C=C(Cl)COCC1CCCCCC1 1cb740e8212891451435dcf838c714dd [0,0,0,1,0,1|2,0,0]=4 5483 B13R1.1988 C=C(F)CNCC1CCCCCC1 aca44152bd586d376713258ac41d767a [0,0,0,1,0,1|2,0,0]=4 5484 B13R1.1988 C=C(F)COCC1CCCCCC1 cb923e79545e3ec16de3ced73cd3a85f [0,0,0,1,0,1|2,0,0]=4 5485 B13R1.1988 C=C(I)COCC1CCCCCC1 f8c236d325aeae56fb111139d7176d73 [0,0,0,1,0,1|2,0,0]=4 5486 B13R1.1988 CC(=O)CCCN1CCCCCC1 5e834cf4fef9fc7d36f0f335d82867e8 [0,0,0,1,0,1|2,0,0]=4 5487 B13R1.1988 CC(=O)CCNC1CCCCCC1 13ca331e58b790dcb3c60e7974f3fd86 [0,0,0,1,0,1|1,0,0]=3 5488 B13R1.1988 CC(=O)CCNC1CCCOCC1 111b566a7de3d1cf94858c44a7f033c8 [0,0,0,1,0,1|2,0,0]=4 5489 B13R1.1988 CC(=O)CCOC1CCCCCC1 ef9a2e6bd369585408cb1685ae54ea83 [0,0,0,1,0,1|1,0,0]=3 5490 B13R1.1988 CC(=O)CCOC1CCCOCC1 40b93d77e2d4d4061873ab751f490f21 [0,0,0,1,0,1|2,0,0]=4 5491 B13R1.1988 CC(=O)CNCC1CCCCCC1 d8b16388775849e6cc095d458b7a2138 [0,0,0,1,0,1|1,0,0]=3 5492 B13R1.1988 CC(=O)COCC1CCCCCC1 9acf124b47c1412004cf89ddea82ce09 [0,0,0,1,0,1|1,0,0]=3 5493 B13R1.1988 CC(=O)NCCC1CCCCCC1 1390abe9276021635d4d4fa1d93352cd [0,0,0,1,0,1|1,0,0]=3 5494 B13R1.1988 CC(=O)NCCN1CCCCCC1 3fc36d8f92da2f0066053775407adf19 [0,0,0,1,0,1|2,0,0]=4 5495 B13R1.1988 CC(=O)NCOC1CCCCCC1 258dec942e41277fbaa3f29f0e38e1e3 [0,0,0,1,0,1|2,0,0]=4 5496 B13R1.1988 CC(=O)OCCN1CCCCCC1 5677f4b0701d68f57f4775bb86bdee95 [0,0,0,1,0,1|2,0,0]=4 5497 B13R1.1988 CC(=O)OCNC1CCCCCC1 ba1c84de8db383c13df2e80369601bbd [0,0,0,1,0,1|2,0,0]=4 5498 B13R1.1988 CC(=O)OCOC1CCCCCC1 eade90ab385e2b9b9ea9e7dc37deb1ea [0,0,0,1,0,1|2,0,0]=4 5499 B13R1.1988 CC(=O)SCCN1CCCCCC1 65a8c3e5e7b5a7d7156698849381568d [0,0,0,1,0,1|2,0,0]=4 5500 B13R1.1988 CC(O)CCNC1CCCCCC1 c1e3e2c105787c8414dd6778a37fb5be [0,0,0,1,0,1|1,0,1]=4 5501 B13R1.1988 CC(O)CNCC1CCCCCC1 691e6ec02206fc582c49fee1a3ae7b03 [0,0,0,1,0,1|1,0,1]=4 5502 B13R1.1988 CS(=O)CCNC1CCCCCC1 cfb37ccb0ee91ee400bb5793c4380550 [0,0,0,1,0,1|2,0,0]=4 5503 B13R1.1988 CS(=O)CCOC1CCCCCC1 7011ddb4e790a02c86189bbf34a94df2 [0,0,0,1,0,1|2,0,0]=4 5504 B13R1.1988 C[C@@H](O)CCNC1CCCCCC1 5ba735c89c1bae6f3bc567885acf5444 [0,0,0,1,0,1|1,0,1]=4 5505 B13R1.1988 C[C@@H](O)CNCC1CCCCCC1 48415738e536ac8e2b1a337918a27be6 [0,0,0,1,0,1|1,0,1]=4 5506 B13R1.1988 C[C@H](O)CCNC1CCCCCC1 fabc3bb461034e4f545c1d8a94c4248e [0,0,0,1,0,1|1,0,1]=4 5507 B13R1.1988 C[C@H](O)CNCC1CCCCCC1 bbb758185a80c0a63aff2e6e97985379 [0,0,0,1,0,1|1,0,1]=4 5508 B13R1.1988 NC(=O)CCCN1CCCCCC1 9cc25c5ec7e4716e548fdc3545d7a5f3 [0,0,0,1,0,1|2,0,0]=4 5509 B13R1.1988 NC(=O)CCNC1CCCCCC1 2611273d4804ae45c737f0ae693eb68b [0,0,0,1,0,1|1,0,0]=3 5510 B13R1.1988 NC(=O)CCNC1CCCOCC1 5be4510e7cf84aa95e50498bf1560929 [0,0,0,1,0,1|2,0,0]=4 5511 B13R1.1988 NC(=O)CCOC1CCCCCC1 54e0c7363ff2da58fb44c1edf47b6711 [0,0,0,1,0,1|1,0,0]=3 5512 B13R1.1988 NC(=O)CCOC1CCCOCC1 463a0d9f2fbcb5f1329d1284217a0d7a [0,0,0,1,0,1|2,0,0]=4 5513 B13R1.1988 NC(=O)CNCC1CCCCCC1 4505fdf3dd3307b94f01bc5204989ce4 [0,0,0,1,0,1|1,0,0]=3 5514 B13R1.1988 NC(=O)COCC1CCCCCC1 c2f1a96ca7d30d1945e1dfb240935e3f [0,0,0,1,0,1|1,0,0]=3 5515 B13R1.1988 NC(=O)NCCN1CCCCCC1 ba75847eed95caa034a5ed45eff929cd [0,0,0,1,0,1|2,0,0]=4 5516 B13R1.1988 NC(=O)NCOC1CCCCCC1 36a1f1a13a83b12472f0073f7770fa77 [0,0,0,1,0,1|2,0,0]=4 5517 B13R1.1988 NC(=O)SCNC1CCCCCC1 9ebf2f706010e9c40e732b57df2e25c1 [0,0,0,1,0,1|2,0,0]=4 5518 B13R1.1988 NC(=O)SCOC1CCCCCC1 8a2cfbd4ac759b9213cf4c5b5d4e8c31 [0,0,0,1,0,1|2,0,0]=4 5519 B13R1.1988 NC(=S)CCNC1CCCCCC1 c703ac5061fdecc4a8ed79228485d4eb [0,0,0,1,0,1|1,1,0]=4 5520 B13R1.1988 NC(=S)COCC1CCCCCC1 009d0757aed17dc173609908335271a7 [0,0,0,1,0,1|1,1,0]=4 5521 B13R1.1988 O=C(O)/C=C/CN1CCCCCC1 9beeb129d8fc364d6a06f2ce479f8a3b [0,0,0,1,0,1|1,0,1]=4 5522 B13R1.1988 O=C(O)C=CCN1CCCCCC1 5e37a7b6e44714d351a56993a7130b71 [0,0,0,1,0,1|1,0,1]=4 5523 B13R1.1988 O=C(O)CCNC1CCC=CCC1 0feec5d7372d8c8d55cbdc56196c6a7f [0,0,0,1,0,1|0,0,2]=4 5524 B13R1.1988 O=C(O)CCNC1CCCCCC1 51bae8bd8ca06ecb222203d37d82a38a [0,0,0,1,0,1|0,0,0]=2 5525 B13R1.1988 O=C(O)CCNC1CCCOCC1 76ad564cb55cf204647f57df83e94aed [0,0,0,1,0,1|1,0,0]=3 5526 B13R1.1988 O=C(O)CCOC1CCCCCC1 83377bc176c2f458b0089e2ea5f2a7a2 [0,0,0,1,0,1|0,0,0]=2 5527 B13R1.1988 O=C(O)CCOC1CCCOCC1 07a913326860b1fde74682b99e1da07b [0,0,0,1,0,1|1,0,0]=3 5528 B13R1.1988 O=C(O)CCOC1COCCOC1 e86d833a2622efaa50cd46cd745eeb4d [0,0,0,1,0,1|2,0,0]=4 5529 B13R1.1988 O=C(O)CNCC1CCCCCC1 b81c26e321048c84da841e7c0538bc42 [0,0,0,1,0,1|0,0,0]=2 5530 B13R1.1988 O=C(O)CNCC1COCCOC1 a37cc0008b0b242d283874dd94c9851b [0,0,0,1,0,1|2,0,0]=4 5531 B13R1.1988 O=C(O)COCC1CCCCCC1 09f27392c9363f19623c7a83beb1c055 [0,0,0,1,0,1|0,0,0]=2 5532 B13R1.1988 O=C(O)COCC1COCCOC1 a8380331dc256f36aeac047f1e9f8a5e [0,0,0,1,0,1|2,0,0]=4 5533 B13R1.1988 O=S(O)CCNC1CCCCCC1 4a5ea46a402006f4d20e31207df1adb8 [0,0,0,1,0,1|1,0,0]=3 5534 B13R1.1988 O=S(O)CCNC1CCCOCC1 b3e57f862bb752bb2bd81b6bb6369252 [0,0,0,1,0,1|2,0,0]=4 5535 B13R1.1988 O=S(O)COCC1CCCCCC1 387058646d538475a51a384a948c701a [0,0,0,1,0,1|1,0,0]=3 5536 B13R1.1988 O=[N+]([O-])CCOC1CCCCCC1 d61b8632b4d1ca19a561e1522af7f28a [0,0,0,1,0,1|1,0,1]=4 5537 B13R1.1988 O=[N+]([O-])CNCC1CCCCCC1 777f72b923a574eaba7811e22d2e43c3 [0,0,0,1,0,1|1,0,1]=4 5538 B13R1.1988 O=[N+]([O-])COCC1CCCCCC1 dd456ea59827a726031e539ee20a54a1 [0,0,0,1,0,1|1,0,1]=4 5539 B13R1.2409 O=C(O)CCN1C(CC1CO)CO 39cf747349df6f2e7ebb5513f7defc4b [0,0,0,1,0,1|2,0,0]=4 5540 B13R1.2409 O=C(O)CCN1[C@@H](C[C@@H]1CO)CO 05f1c9eaac5e2aac7722a3162c49cd3c [0,0,0,1,0,1|2,0,0]=4 5541 B13R1.2409 O=C(O)CCN1[C@H](C[C@@H]1CO)CO 7ce2ca1bfc274c4f6ea96a5712af5633 [0,0,0,1,0,1|2,0,0]=4 5542 B13R1.2795 CCCCC(CC)CN1CC(C1)O c0a8c924cb9e82cdd54fcec5fa6d0c31 [0,0,0,1,0,1|1,0,1]=4 5543 B13R1.2795 CCCCC(CC)NC1CC(C1)O a9ba7503550873c3f983c9914caf7511 [0,0,0,1,0,1|1,0,1]=4 5544 B13R1.2795 CCCCC(CC)N[C@H]1C[C@@H](C1)O dbddeaf7d5336c47c0a23228013d38d6 [0,0,0,1,0,1|1,0,1]=4 5545 B13R1.2795 CCCCC(CC)N[C@H]1C[C@H](C1)O 7878f870bc27566dfb3d6da5bc1bd563 [0,0,0,1,0,1|1,0,1]=4 5546 B13R1.2795 CCCCC(CC)OC1CC(=O)C1 c0f84485eea0b45402c95c06b861f693 [0,0,0,1,0,1|1,0,0]=3 5547 B13R1.2795 CCCCC(CO)NC1CC(=O)C1 6aec2808637438c2befc8bbb6ad685ce [0,0,0,1,0,1|2,0,0]=4 5548 B13R1.2795 CCCCN(CC)CC1CC(=O)C1 0fec7025dd2173bb8023a3638723f330 [0,0,0,1,0,1|2,0,0]=4 5549 B13R1.2795 CCCCN(CC)CC1CC(=O)N1 d1755abbb5aef90ec1a1243bca3d224b [0,0,0,1,0,1|2,0,0]=4 5550 B13R1.2795 CCCCN(CC)CC1CC(=O)O1 dd88c20e919e3b3c39843a8df07558b9 [0,0,0,1,0,1|1,0,0]=3 5551 B13R1.2795 CCCC[C@@H](CC)CN1CC(C1)O 19ec2e7cdf82f245437bee6b4995b9f0 [0,0,0,1,0,1|1,0,1]=4 5552 B13R1.2795 CCCC[C@@H](CO)NC1CC(=O)C1 c2b303ec1bd060e802f53203b07b559a [0,0,0,1,0,1|2,0,0]=4 5553 B13R1.2795 CCCC[C@H](CO)NC1CC(=O)C1 edd128b9e452af6f86b72f492d32a395 [0,0,0,1,0,1|2,0,0]=4 5554 B13R1.2795 CCN(CCCO)CC1CC(=O)O1 4b0404b6e023fc9529a5cba0051fe724 [0,0,0,1,0,1|2,0,0]=4 5555 B13R1.3023 CO[C@@H]1C[C@H](N(C1)CC(=O)O)CO e92ea1be5b3acc7b9b6962455c1f9deb [0,0,0,1,0,1|2,0,0]=4 5556 B13R1.3051 COC1CCCCC(C1)NC(=O)C e3be790af02f8b3dd6e3a2bb1eaf2109 [0,0,0,1,0,1|2,0,0]=4 5557 B13R1.3051 COC1COCCN(C1)CC(=O)O cf2bbfe378c7275b28853326cb7a903f [0,0,0,1,0,1|2,0,0]=4 5558 B13R1.3051 CO[C@@H]1COCCN(C1)CC(=O)O de22c3d33237caa0ceab2b14be73b5db [0,0,0,1,0,1|2,0,0]=4 5559 B13R1.3051 CO[C@H]1COCCN(C1)CC(=O)O e5190a44cb9de8d1eed71441c26985c6 [0,0,0,1,0,1|2,0,0]=4 5560 B13R1.3051 O=C(O)CN1CCCOC(C1)CO b7024478acaf688af7be22f5fbe44767 [0,0,0,1,0,1|2,0,0]=4 5561 B13R1.3051 O=C(O)CN1CCOCC(C1)CO 91fa686cdece9dca54410a99486ce314 [0,0,0,1,0,1|2,0,0]=4 5562 B13R1.3900 CCC1SC[C@@H](N1CCF)C(=O)O 0dc374e8f653e93ee24b46ac792bc4e3 [0,0,0,1,0,1|2,0,0]=4 5563 B13R1.3900 CCC1SC[C@@H](N1CCO)C(=O)O d8103eb5d22fc36de3323df383c61196 [0,0,0,1,0,1|2,0,0]=4 5564 B13R1.3900 CCC1SC[C@@H](N1CCS)C(=O)O 0f67ebe3378b43759fd935de62d135ab [0,0,0,1,0,1|2,0,0]=4 5565 B13R1.3900 CCC1SC[C@@H](N1COC)C(=O)O 40489806ac0e6a7557f5b0e86b8815d4 [0,0,0,1,0,1|2,0,0]=4 5566 B13R1.3900 CCC1SC[C@@H](N1CSC)C(=O)O 55c0ecc98e239e83947862a6edee9b93 [0,0,0,1,0,1|2,0,0]=4 5567 B13R1.3900 CCCN1C(SC[C@@H]1C(=O)O)CC a4f0eac2badcda4bf4d99765b7fc7869 [0,0,0,1,0,1|1,0,0]=3 5568 B13R1.5751 CC(=O)CCN[C@H](CO)C1CCC1 0b285ccd2648789e5de32d4f2258f001 [0,0,0,1,0,1|2,0,0]=4 5569 B13R1.5751 CCC(NCCC(=O)C)C1COC1 e72d793ced0a1216fbf683bfdebb08c7 [0,0,0,1,0,1|2,0,0]=4 5570 B13R1.5751 CCC(NCCC(=O)N)C1COC1 7d9c06e1b35c6833ece239dc79b2cda2 [0,0,0,1,0,1|2,0,0]=4 5571 B13R1.5751 CCC(NCCC(=O)O)C1COC1 db7bc6bdcc79902cdf2cc5ea9c47bf0e [0,0,0,1,0,1|1,0,0]=3 5572 B13R1.5751 CCC(OCCC(=O)C)C1COC1 fa488878a18159801e39b409e969d834 [0,0,0,1,0,1|2,0,0]=4 5573 B13R1.5751 CCC(OCCC(=O)N)C1COC1 5d1ca48f55d1d25f03690ecc309cc88d [0,0,0,1,0,1|2,0,0]=4 5574 B13R1.5751 CCC(OCCC(=O)O)C1COC1 fee9888f0f63616676b47f64051f4a64 [0,0,0,1,0,1|1,0,0]=3 5575 B13R1.5751 CCN(C/C=C/C(=O)O)C1CCC1 40ccbf3cfd234c6640347fad2306b570 [0,0,0,1,0,1|1,0,1]=4 5576 B13R1.5751 CCN(CC=CC(=O)O)C1CCC1 b9a1bb51358cc1e2638bb528d627e9f9 [0,0,0,1,0,1|1,0,1]=4 5577 B13R1.5751 CCN(CCCC(=O)C)C1CCC1 d1be60041c0a67f6735004d11e22b593 [0,0,0,1,0,1|2,0,0]=4 5578 B13R1.5751 CCN(CCCC(=O)N)C1CCC1 14a456e503a8fd1e19996545e42fac6a [0,0,0,1,0,1|2,0,0]=4 5579 B13R1.5751 CCN(CCNC(=O)C)C1CCC1 36daf5e307fea700367d7ff6f7d158cb [0,0,0,1,0,1|2,0,0]=4 5580 B13R1.5751 CCN(CCNC(=O)N)C1CCC1 689ce805e704f35db81803a5bc14d1be [0,0,0,1,0,1|2,0,0]=4 5581 B13R1.5751 CCN(CCOC(=O)C)C1CCC1 eac1a084396e39e956ee2b49fa26ed08 [0,0,0,1,0,1|2,0,0]=4 5582 B13R1.5751 CCN(CCSC(=O)C)C1CCC1 0b42a7c2bfcd2ae36904030bd99998c6 [0,0,0,1,0,1|2,0,0]=4 5583 B13R1.5751 N#CC(NCCC(=O)O)C1CCC1 6da6c3e8e2b7ce87cb6b9b766b19d45f [0,0,0,1,0,1|1,0,1]=4 5584 B13R1.5751 NC(=O)CCN[C@H](CO)C1CCC1 8a43067928a4ab4fec6979fd1d132690 [0,0,0,1,0,1|2,0,0]=4 5585 B13R1.5751 O=C(O)CCN[C@H](CO)C1CCC1 021d6640c781c8cb2774e32792f47723 [0,0,0,1,0,1|1,0,0]=3 5586 B13R1.5752 CCN(C/C=C/C(=O)O)CC1CC1 dd581e3967e5fa43a1564a77c69fcaa2 [0,0,0,1,0,1|1,0,1]=4 5587 B13R1.5752 CCN(CC=CC(=O)O)CC1CC1 32bd7914a52b5629845cf361deed318d [0,0,0,1,0,1|1,0,1]=4 5588 B13R1.5752 CCN(CCCC(=O)C)CC1CC1 b2695360e52d34d1a46def7f3047cd67 [0,0,0,1,0,1|2,0,0]=4 5589 B13R1.5752 CCN(CCCC(=O)N)CC1CC1 ed220de5c0bad945b13985cb441c5233 [0,0,0,1,0,1|2,0,0]=4 5590 B13R1.5752 CCN(CCNC(=O)C)CC1CC1 deab628c0634865d878e21cbdf783639 [0,0,0,1,0,1|2,0,0]=4 5591 B13R1.5752 CCN(CCNC(=O)N)CC1CC1 7c1734d1f3d3547470af9f34a9431011 [0,0,0,1,0,1|2,0,0]=4 5592 B13R1.5752 CCN(CCOC(=O)C)CC1CC1 33604590f3c5ca9bf24b7b6cd4075949 [0,0,0,1,0,1|2,0,0]=4 5593 B13R1.5752 CCN(CCSC(=O)C)CC1CC1 c213ab0ba96b88b4a5999ce536f0cb30 [0,0,0,1,0,1|2,0,0]=4 5594 B13R1.5752 NC(=O)CNCC(CO)CC1CC1 a412c7c3dce737e921c99bade750b792 [0,0,0,1,0,1|2,0,0]=4 5595 B13R1.5752 O=C(O)CNCC(CO)CC1CC1 2a1f92cc7b6c32ad983f3b29096b580a [0,0,0,1,0,1|1,0,0]=3 5596 B13R1.5909 CCCCN(CC)[C@@H]1C[C@@H]1C(=O)O 27bfcb21c36fdbda552ff17b9f2cc8e9 [0,0,0,1,0,1|1,0,0]=3 5597 B13R1.5909 CCCCN(CC)[C@H]1C[C@@H]1C(=O)O d6e756381aee729bca595e3a0fdd43a6 [0,0,0,1,0,1|1,0,0]=3 5598 B13R1.5909 CCCCN(CC)[C@H]1C[C@H]1C(=O)O aeb7a750c60c4fb65dd6e0c98f0a3522 [0,0,0,1,0,1|1,0,0]=3 5599 B13R1.5909 CCN(CCCO)[C@@H]1C[C@@H]1C(=O)O 9ae4f15712370bb07fccf9e52808c02a [0,0,0,1,0,1|2,0,0]=4 5600 B13R1.5909 CCN(CCCO)[C@H]1C[C@@H]1C(=O)O 5b18f46897d45351fc0e88f16ecbfaa5 [0,0,0,1,0,1|2,0,0]=4 5601 B13R1.5909 CCN(CCCO)[C@H]1C[C@H]1C(=O)O 422c62071c0e39db5da0a36a410e1a31 [0,0,0,1,0,1|2,0,0]=4 5602 B13R1.5909 CCN(CCOC)[C@@H]1C[C@@H]1C(=O)O a4cbb08194c258aae3b44335b93243b6 [0,0,0,1,0,1|2,0,0]=4 5603 B13R1.5909 CCN(CCOC)[C@H]1C[C@@H]1C(=O)O 52784766c410ced3338dd8f841d6991a [0,0,0,1,0,1|2,0,0]=4 5604 B13R1.5909 CCN(CCOC)[C@H]1C[C@H]1C(=O)O cdc533e0ea4b4792428959c28bb20190 [0,0,0,1,0,1|2,0,0]=4 5605 B13R1.5997 CC(=O)CCNC1(CCCC1)CO 32f255132f44135f9c82664203c952bd [0,0,0,1,0,1|2,0,0]=4 5606 B13R1.5997 COC1(CCOC1)COCC(=O)O 3c0c8796d692898dfe72e982c60694d1 [0,0,0,1,0,1|2,0,0]=4 5607 B13R1.5997 N#CC1(CCCC1)CNCC(=O)O 9e03843d074e3827bc6c49a7b8fabec8 [0,0,0,1,0,1|1,0,1]=4 5608 B13R1.5997 N#CC1(CCCC1)COCC(=O)O 91d010e111c9c9123fad06af4949fa24 [0,0,0,1,0,1|1,0,1]=4 5609 B13R1.5997 N#CC1(CCCC1)NCCC(=O)O bb215f6c66ce87e906451a570d357ea5 [0,0,0,1,0,1|1,0,1]=4 5610 B13R1.5997 NC(=O)CCNC1(CCCC1)CO d872839b434488050cbd73d283027074 [0,0,0,1,0,1|2,0,0]=4 5611 B13R1.5997 NC(=O)CNCC1(CCCC1)CO 4e9ae581c8138f6bc0a94d59fc22ede7 [0,0,0,1,0,1|2,0,0]=4 5612 B13R1.5997 O=C(O)CCNC1(CCCC1)CO a2c341caaf0175aaa2f02a9d7dc47aa2 [0,0,0,1,0,1|1,0,0]=3 5613 B13R1.5997 O=C(O)CCNC1(CCOC1)CO aa9720f6d9c23b645ec4e146dc53c4cf [0,0,0,1,0,1|2,0,0]=4 5614 B13R1.5997 O=C(O)CCNC1(CCSC1)CO 13c2a845fe4bcae1efcec56b2573a08a [0,0,0,1,0,1|2,0,0]=4 5615 B13R1.5997 O=C(O)CNCC1(CCCC1)CO 0ef150acbe8ae5458d28bb132e9bdb9b [0,0,0,1,0,1|1,0,0]=3 5616 B13R1.7544 CC1C(CCN1CCCC(=O)O)O 11a548eeb8e272d9aad2149c8b2af2a6 [0,0,0,1,0,1|2,0,0]=4 5617 B13R1.7544 C[C@@H]1[C@@H](CCN1CCCC(=O)O)O 9d4e08d4171d86cae791d27968c26511 [0,0,0,1,0,1|2,0,0]=4 5618 B13R1.7544 C[C@H]1[C@H](CCN1CCCC(=O)O)O dd730f5e64ce6a53dcd1202454af2212 [0,0,0,1,0,1|2,0,0]=4 5619 B13R1.69 CN1C[C@@H](C[C@H]1CO)NCC(=O)O 9e5762cc1bf367da774817a2c057abf6 [0,1,0,1,0,0|2,0,0]=4 5620 B13R1.69 CO[C@H]1CN(C[C@@H]1O)CCC(=O)O 80ec6bbd306d6ab7a97b86397d6f64b9 [0,1,0,1,0,0|2,0,0]=4 5621 B13R1.69 C[C@H]1CN(C[C@@H]1CO)CCC(=O)O 2901b9c364805d851e10378f3d852146 [0,1,0,1,0,0|2,0,0]=4 5622 B13R1.69 O=C(O)CCN1CC(C(C1)CO)O eaabbe8ac3b1ee07ced4be4a227f8555 [0,1,0,1,0,0|2,0,0]=4 5623 B13R1.73 CCCCN1CCC(=O)CC1CO 52276f50d8f52043448ac288682a8c36 [0,1,0,1,0,0|2,0,0]=4 5624 B13R1.380 C#CCN1CCCCC1CC(=O)O f2e0cde7352a31aede8148fc8162f90a [0,1,0,1,0,0|1,0,1]=4 5625 B13R1.380 C#CCN1CCCC[C@H]1CC(=O)O 1f63b23d84acf4019e05a8446f18b56c [0,1,0,1,0,0|1,0,1]=4 5626 B13R1.380 C=CCN1CCCCC1CC(=O)O ccac8ec5141bb26734b79b4eaf6802da [0,1,0,1,0,0|1,0,1]=4 5627 B13R1.380 C=CCN1CCCC[C@H]1CC(=O)O 5c31d2bffdb823156a02305c403f25b2 [0,1,0,1,0,0|1,0,1]=4 5628 B13R1.380 CCCC1COCCN1CC(=O)O f0dfc9aaf83fc032ea6b5450121bcd0f [0,1,0,1,0,0|2,0,0]=4 5629 B13R1.380 CCCN1CCCCC1CC(=O)N d1229177b3f7c30425f6ef646cf2c1ac [0,1,0,1,0,0|2,0,0]=4 5630 B13R1.380 CCCN1CCCCC1CC(=O)O a2af3532eea15f8fcb0d76a12e2664f9 [0,1,0,1,0,0|1,0,0]=3 5631 B13R1.380 CCCN1CCCC[C@@H]1CC(=O)N a7fc0e40c11e2ce6b0f00dcc0a7302ea [0,1,0,1,0,0|2,0,0]=4 5632 B13R1.380 CCCN1CCCC[C@H]1CC(=O)N 2b786780070ef5cbd2812b004dff6ee5 [0,1,0,1,0,0|2,0,0]=4 5633 B13R1.380 CCCN1CCCC[C@H]1CC(=O)O 5d778f9ac6c8ecb4df13a7fcba65d3fc [0,1,0,1,0,0|1,0,0]=3 5634 B13R1.380 CCCN1CCOCC1CC(=O)O 594efd896011564e1733d5e203f5d71b [0,1,0,1,0,0|2,0,0]=4 5635 B13R1.380 CCO[C@H]1CCCC[C@@H]1NC(=O)C cb1513ae9b8e7b0ad732ac4b068e8e98 [0,1,0,1,0,0|2,0,0]=4 5636 B13R1.380 COCC1CCCCN1CC(=O)N 042ef6670e5fb9ce72e319490d5cafc6 [0,1,0,1,0,0|2,0,0]=4 5637 B13R1.380 COCC1CCCCN1CC(=O)O 25c476816b0406b6057d2072a82bc9a7 [0,1,0,1,0,0|1,0,0]=3 5638 B13R1.380 COCN1CCCCC1CC(=O)N 10dfe5f7acb1491c3db734ce4cb008d0 [0,1,0,1,0,0|2,0,0]=4 5639 B13R1.380 COCN1CCCCC1CC(=O)O 5ee43be9918671aa4bab95718fd014c4 [0,1,0,1,0,0|1,0,0]=3 5640 B13R1.380 COCN1CCCC[C@@H]1CC(=O)N 91a0371e85c330e6ce0fb3f4681435cb [0,1,0,1,0,0|2,0,0]=4 5641 B13R1.380 COCN1CCCC[C@H]1CC(=O)N fafb560d791bf61cd42109c80aadbc12 [0,1,0,1,0,0|2,0,0]=4 5642 B13R1.380 COCN1CCCC[C@H]1CC(=O)O f4927aaf204dd5ae919aa711bdcfd4a4 [0,1,0,1,0,0|1,0,0]=3 5643 B13R1.380 COCN1CCOCC1CC(=O)O b01422a6487d78822252230379e6951a [0,1,0,1,0,0|2,0,0]=4 5644 B13R1.380 COC[C@@H]1COCCN1CC(=O)O a9f6e598cf35e637b244ac4f4cf678e3 [0,1,0,1,0,0|2,0,0]=4 5645 B13R1.380 COC[C@H]1COCCN1CC(=O)O c4d98a3663c755438b7179ab807e169b [0,1,0,1,0,0|2,0,0]=4 5646 B13R1.380 CSCN1CCCCC1CC(=O)N 731fbfa66822b0c29e18b440be10739f [0,1,0,1,0,0|2,0,0]=4 5647 B13R1.380 CSCN1CCCCC1CC(=O)O 8697ed3de9874643bc63f625d767c7eb [0,1,0,1,0,0|1,0,0]=3 5648 B13R1.380 CSCN1CCCC[C@@H]1CC(=O)N 53a4cab221d9c8930513941fb2861896 [0,1,0,1,0,0|2,0,0]=4 5649 B13R1.380 CSCN1CCCC[C@H]1CC(=O)N db07447881228c4f29b5f8662826bf13 [0,1,0,1,0,0|2,0,0]=4 5650 B13R1.380 CSCN1CCCC[C@H]1CC(=O)O 014882c6d20788246327d4c4c7829899 [0,1,0,1,0,0|1,0,0]=3 5651 B13R1.380 CSCN1CCOCC1CC(=O)O d6e7b6e54482091e6cbec1989d0b4e52 [0,1,0,1,0,0|2,0,0]=4 5652 B13R1.380 N#CCC1CCCCN1CC(=O)O 9120594bbfecb8f2da272dacf4ca73ba [0,1,0,1,0,0|1,0,1]=4 5653 B13R1.380 N#CCN1CCCCC1CC(=O)O 352598bda49cd894c8e9cd664fb0f661 [0,1,0,1,0,0|1,0,1]=4 5654 B13R1.380 N#CCN1CCCC[C@H]1CC(=O)O 3211b23b003deb6dd877941225f8013c [0,1,0,1,0,0|1,0,1]=4 5655 B13R1.380 NC(=O)CC1CCCCN1CCF 52658b7f7f595ec7c2369b9c06b91bf0 [0,1,0,1,0,0|2,0,0]=4 5656 B13R1.380 NC(=O)CC1CCCCN1CCO 74d08a68f4cd0855a02b0ff3a7db4153 [0,1,0,1,0,0|2,0,0]=4 5657 B13R1.380 NC(=O)CC1CCCCN1CCS f37b679b9862f1c912edc618095ecf55 [0,1,0,1,0,0|2,0,0]=4 5658 B13R1.380 NC(=O)CN1CCCCC1CCCl aa11697c249691fb119985a8c1f86be7 [0,1,0,1,0,0|2,0,0]=4 5659 B13R1.380 NC(=O)CN1CCCCC1CCO f3be650924786def46f0b2c0dc55d56e [0,1,0,1,0,0|2,0,0]=4 5660 B13R1.380 NC(=O)CN1CCCC[C@@H]1CCO 7cc47bdb16b185548f6ea2892a3c9c65 [0,1,0,1,0,0|2,0,0]=4 5661 B13R1.380 NC(=O)CN1CCCC[C@H]1CCO e7cd5528f08fb5599f6d30e5260db247 [0,1,0,1,0,0|2,0,0]=4 5662 B13R1.380 NC(=O)C[C@@H]1CCCCN1CCF 84085db36a72d7716e23f0873c41393e [0,1,0,1,0,0|2,0,0]=4 5663 B13R1.380 NC(=O)C[C@@H]1CCCCN1CCO 4a7541d64144f6d050c1ec9b82305540 [0,1,0,1,0,0|2,0,0]=4 5664 B13R1.380 NC(=O)C[C@@H]1CCCCN1CCS c8ae34b1705f2212be3a95408cbd9750 [0,1,0,1,0,0|2,0,0]=4 5665 B13R1.380 NC(=O)C[C@H]1CCCCN1CCF 456c7853eda29072aaadb59aadb37ebb [0,1,0,1,0,0|2,0,0]=4 5666 B13R1.380 NC(=O)C[C@H]1CCCCN1CCO 7b40ad8f4c20f1928ad45d7cfbf97e3b [0,1,0,1,0,0|2,0,0]=4 5667 B13R1.380 NC(=O)C[C@H]1CCCCN1CCS dc2862128ea6d894d1dd8f15beb9d2cd [0,1,0,1,0,0|2,0,0]=4 5668 B13R1.380 O=C(O)CC1CCCCN1CCF ab687792312db964eea400f7abcbb532 [0,1,0,1,0,0|1,0,0]=3 5669 B13R1.380 O=C(O)CC1CCCCN1CCO 86db110ab498ccbb86cf0c88922e0ef0 [0,1,0,1,0,0|1,0,0]=3 5670 B13R1.380 O=C(O)CC1CCCCN1CCS ceaee2ee80ae1ee1c7ce9acfb0b9a27d [0,1,0,1,0,0|1,0,0]=3 5671 B13R1.380 O=C(O)CC1COCCN1CCF 2ff0f601fd40bb87596f3cf707ad0fcb [0,1,0,1,0,0|2,0,0]=4 5672 B13R1.380 O=C(O)CC1COCCN1CCO aae4aded1f7aa639673ba30fc5290c8e [0,1,0,1,0,0|2,0,0]=4 5673 B13R1.380 O=C(O)CC1COCCN1CCS 44aad1f2e73f03d265894031c86fff1a [0,1,0,1,0,0|2,0,0]=4 5674 B13R1.380 O=C(O)CN1CCCCC1CCCl 7209033c988e7bc851a62da27a32d23e [0,1,0,1,0,0|1,0,0]=3 5675 B13R1.380 O=C(O)CN1CCCCC1CCO 501a1e4c9b7d671c8936e98f9d333439 [0,1,0,1,0,0|1,0,0]=3 5676 B13R1.380 O=C(O)CN1CCCC[C@@H]1CCO fc2f5c5b902d8d5852912712ea2ab0fb [0,1,0,1,0,0|1,0,0]=3 5677 B13R1.380 O=C(O)CN1CCCC[C@H]1CCO 735245b7b31e77a30f3f641f24b0b583 [0,1,0,1,0,0|1,0,0]=3 5678 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCF 5b5d092354879044f81bcc36b743963a [0,1,0,1,0,0|1,0,0]=3 5679 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCO b542a1af6f25d15a05d69585529fe1f3 [0,1,0,1,0,0|1,0,0]=3 5680 B13R1.380 O=C(O)C[C@@H]1CCCCN1CCS 6e2a6b6d2d8fc7c7b4b1457ec5f72255 [0,1,0,1,0,0|1,0,0]=3 5681 B13R1.380 O=CCN1CCCCC1CC(=O)O 5ee2c568bf4ede6280cc836397df425d [0,1,0,1,0,0|1,0,1]=4 5682 B13R1.380 O=CCN1CCCC[C@H]1CC(=O)O 0178d5cf5b100c9c96f9cb354c57e05c [0,1,0,1,0,0|1,0,1]=4 5683 B13R1.387 CCCN1CCN(C(C1)C(=O)O)C 449d8b879aab4f0164dfaf2bcec29103 [0,1,0,1,0,0|2,0,0]=4 5684 B13R1.387 CCCN1CCN([C@@H](C1)C(=O)O)C b06da69ff5e7a36df014bf7c3d6f91c2 [0,1,0,1,0,0|2,0,0]=4 5685 B13R1.387 CN1CCN(CC1C(=O)O)CCF 94affaabbf2856607cec182cff89f9ef [0,1,0,1,0,0|2,0,0]=4 5686 B13R1.387 CN1CCN(CC1C(=O)O)CCO 0b9d7b11e8ad04d8b4706c85b23e4011 [0,1,0,1,0,0|2,0,0]=4 5687 B13R1.387 CN1CCN(CC1C(=O)O)CCS a4469a5213675ddcd588d0c6f4e1b654 [0,1,0,1,0,0|2,0,0]=4 5688 B13R1.387 CN1CCN(C[C@H]1C(=O)O)CCF d61562b20b2e21a104d862a147f05a59 [0,1,0,1,0,0|2,0,0]=4 5689 B13R1.387 CN1CCN(C[C@H]1C(=O)O)CCO a15617ff5bc4a08533ac30c96609fbb6 [0,1,0,1,0,0|2,0,0]=4 5690 B13R1.387 CN1CCN(C[C@H]1C(=O)O)CCS 756ea6e2212e50d4e1a9413b8eb4c57d [0,1,0,1,0,0|2,0,0]=4 5691 B13R1.387 COCN1CCN(C(C1)C(=O)O)C 65891526a597c70372f0684d9ab80965 [0,1,0,1,0,0|2,0,0]=4 5692 B13R1.387 COCN1CCN([C@@H](C1)C(=O)O)C 8cf376daf894c4425fc6577033f55c13 [0,1,0,1,0,0|2,0,0]=4 5693 B13R1.387 CSCN1CCN(C(C1)C(=O)O)C 87b3b93f75ff15eb3ca42996d94df28a [0,1,0,1,0,0|2,0,0]=4 5694 B13R1.387 CSCN1CCN([C@@H](C1)C(=O)O)C c86c27044954b75c1e56b65b736c7d1a [0,1,0,1,0,0|2,0,0]=4 5695 B13R1.392 CCCC1C=CCN1CCC(=O)O 6a8063412330f15eebf111020bdf1f54 [0,1,0,1,0,0|1,0,1]=4 5696 B13R1.392 CCCC1SCCN1CCC(=O)C 28d6d9d866c84698155bee018045db1e [0,1,0,1,0,0|2,0,0]=4 5697 B13R1.392 CCCC1SCCN1CCC(=O)N 51dbc4c0fbf3ebb34ee42ad42d5be186 [0,1,0,1,0,0|2,0,0]=4 5698 B13R1.392 CCCC1SCCN1CCC(=O)O 7dd8c76f1ef05e952535d1fa2e3a0a79 [0,1,0,1,0,0|1,0,0]=3 5699 B13R1.392 COCC1CCCN1CCC(=O)O b493787e051b18df251687e03d920652 [0,1,0,1,0,0|2,0,0]=4 5700 B13R1.392 COC[C@@H]1CCCN1CCC(=O)O e770c95c001c4d9f6c505a41feb19217 [0,1,0,1,0,0|2,0,0]=4 5701 B13R1.392 COC[C@@H]1CCC[C@@H]1NCC(=O)O a13f05f1698af70cde4b26edafa78726 [0,1,0,1,0,0|2,0,0]=4 5702 B13R1.392 COC[C@H]1CCCN1CCC(=O)O 50c3d78d9c99f7a4554c9204b0819a58 [0,1,0,1,0,0|2,0,0]=4 5703 B13R1.392 COC[C@H]1CCC[C@H]1NCC(=O)O c4c076f9941c0a3e8aca7e42882bdfda [0,1,0,1,0,0|2,0,0]=4 5704 B13R1.392 CSCC1CCCN1CCC(=O)O af7d0ee74b4908ef3e49cfe34fa92b47 [0,1,0,1,0,0|2,0,0]=4 5705 B13R1.392 O=C(O)CCN1CCCC1CCO 90af6b2295df96217e4d885407b23a7d [0,1,0,1,0,0|2,0,0]=4 5706 B13R1.392 O=C(O)CCN1CCC[C@@H]1CCO d5e9f2b09ca5b9c6e3c32978b3eea9f6 [0,1,0,1,0,0|2,0,0]=4 5707 B13R1.511 CC(=O)CCN1CCC(C(C1)O)C 74df89b7c00be57b7b384408a8c70858 [0,1,0,1,0,0|2,0,0]=4 5708 B13R1.511 CC(=O)CCN1CC[C@@H]([C@@H](C1)O)C f4872bf108cb2cfefe9ea3576e5f12f9 [0,1,0,1,0,0|2,0,0]=4 5709 B13R1.511 CC(=O)CCN1CC[C@@H]([C@H](C1)O)C 53400135788cc971636f05683b327be0 [0,1,0,1,0,0|2,0,0]=4 5710 B13R1.511 CC(=O)CCN1CC[C@H]([C@@H](C1)O)C cbc0ac51014d7ac6bad611960bf4c1e5 [0,1,0,1,0,0|2,0,0]=4 5711 B13R1.511 CC(=O)CCN1CC[C@H]([C@H](C1)O)C 09efbecbd2b55e66c09e034f91a80f9d [0,1,0,1,0,0|2,0,0]=4 5712 B13R1.511 CC1CC(CCN1C)NCC(=O)O 3c6d3fab193b86bc4d31782a93a9d3d6 [0,1,0,1,0,0|2,0,0]=4 5713 B13R1.511 CC1CC(CCN1C)OCC(=O)O dc2ae84bd443b06da8d27974c6723fab [0,1,0,1,0,0|2,0,0]=4 5714 B13R1.511 CC1CCC(CC1C)OCC(=O)N cc37a29ab9848aaf4c8e9e29ccb8d12a [0,1,0,1,0,0|2,0,0]=4 5715 B13R1.511 CC1CCC(CC1C)OCC(=O)O 913bd7e728320c77e9e7da9b5d34d2b6 [0,1,0,1,0,0|1,0,0]=3 5716 B13R1.511 CC1CCN(CC1O)CCC(=O)N 14960d242404bd359d614fdf46a15495 [0,1,0,1,0,0|2,0,0]=4 5717 B13R1.511 CC1CCN(CC1O)CCC(=O)O f616b01ffeeaa49edf8bc50457089e91 [0,1,0,1,0,0|1,0,0]=3 5718 B13R1.511 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5914 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCF 759d1b93d621eac3227e3d7a3fcd9efc [0,1,0,1,0,0|2,0,0]=4 5915 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCO 64510545c98def5f3ec4e9477301ca86 [0,1,0,1,0,0|2,0,0]=4 5916 B13R1.578 O=C(O)C[C@@H]1CCCN1CCCS 7c5d0ba559dc7ae924ded2e873151d1e [0,1,0,1,0,0|2,0,0]=4 5917 B13R1.578 O=C(O)C[C@H]1CCCN1CCCF 067c9b1c15d6ad0a9a07c5ed96f49433 [0,1,0,1,0,0|2,0,0]=4 5918 B13R1.578 O=C(O)C[C@H]1CCCN1CCCO 974af4510935ca770c2e5dba61dce529 [0,1,0,1,0,0|2,0,0]=4 5919 B13R1.578 O=C(O)C[C@H]1CCCN1CCCS 48b20c8682c5c94ab023eac6b49e47d1 [0,1,0,1,0,0|2,0,0]=4 5920 B13R1.643 CCC1CCCC(C1)OCC(=O)N 05d21e73b26c7d71f0e66c7f52121835 [0,1,0,1,0,0|2,0,0]=4 5921 B13R1.643 CCC1CCCC(C1)OCC(=O)O 208e5689a79d8b1ab148e8eed5161312 [0,1,0,1,0,0|1,0,0]=3 5922 B13R1.643 CCC1CCCN(C1)CCC(=O)C 75f73d31d437be101ca821cc22a20dff [0,1,0,1,0,0|2,0,0]=4 5923 B13R1.643 CCC1CCCN(C1)CCC(=O)N 92a82bf00e09e9d24e50c8575682c760 [0,1,0,1,0,0|2,0,0]=4 5924 B13R1.643 CCC1CCCN(C1)CCC(=O)O 2f02d53e5509045e4862a2d0d14d26d4 [0,1,0,1,0,0|1,0,0]=3 5925 B13R1.643 CCC1CN(CCO1)CCC(=O)C 78acf26b9276ded2cd3bc86cbf46a46b [0,1,0,1,0,0|2,0,0]=4 5926 B13R1.643 CCC1CN(CCO1)CCC(=O)N 6eeab477939213176b990c586d88a4b4 [0,1,0,1,0,0|2,0,0]=4 5927 B13R1.643 CCC1CN(CCO1)CCC(=O)O ed4b3d140636afbfa70fc18c3578466c [0,1,0,1,0,0|1,0,0]=3 5928 B13R1.643 CCN1CCCC(C1)CCC(=O)N 5cdd24b8fbbe2eaec3a342a0da44e63a [0,1,0,1,0,0|2,0,0]=4 5929 B13R1.643 CCN1CCCC(C1)NCC(=O)O 76f30428100fc9a3fb2d3f69ec730cd6 [0,1,0,1,0,0|2,0,0]=4 5930 B13R1.643 CCN1CCCC(C1)OCC(=O)O 2aea1650fc77feeaf64400a9cb01f4a6 [0,1,0,1,0,0|2,0,0]=4 5931 B13R1.643 CCN1CCC[C@@H](C1)NCC(=O)O 7a22ab4d06566c6c5ac85b7ef4e529c9 [0,1,0,1,0,0|2,0,0]=4 5932 B13R1.643 CCN1CCC[C@H](C1)NCC(=O)O 30d3288d6ce9229d8c764fff4517c6c9 [0,1,0,1,0,0|2,0,0]=4 5933 B13R1.643 CC[C@@H]1CN(CCO1)CCC(=O)C 19fd2cbaaf42d434300cf7fa93625e0f [0,1,0,1,0,0|2,0,0]=4 5934 B13R1.643 CC[C@@H]1CN(CCO1)CCC(=O)N 06ff3a344aebeb148f1a29c8de752f49 [0,1,0,1,0,0|2,0,0]=4 5935 B13R1.643 CC[C@@H]1CN(CCO1)CCC(=O)O 768601de82b6c9eebd589bb7932f1152 [0,1,0,1,0,0|1,0,0]=3 5936 B13R1.643 CC[C@H]1CN(CCO1)CCC(=O)C ff1c23cd65aa3978c87a39d54a428b1d [0,1,0,1,0,0|2,0,0]=4 5937 B13R1.643 CC[C@H]1CN(CCO1)CCC(=O)N e3101de4af4315d91b667a21c65faec1 [0,1,0,1,0,0|2,0,0]=4 5938 B13R1.643 CC[C@H]1CN(CCO1)CCC(=O)O 1c6b5d138be57a42475231838421c7e3 [0,1,0,1,0,0|1,0,0]=3 5939 B13R1.643 COC1CCCC(C1)NCC(=O)O 83010813f2af05e75158e43a6c3a28f9 [0,1,0,1,0,0|2,0,0]=4 5940 B13R1.643 COC1CCCC(C1)OCC(=O)O 42bad6a88ed132875185431d1c3a2f6e [0,1,0,1,0,0|2,0,0]=4 5941 B13R1.643 COC1CCCN(C1)CCC(=O)O deb419b607d51bbb2801444da6ba2109 [0,1,0,1,0,0|2,0,0]=4 5942 B13R1.643 CO[C@@H]1CCCN(C1)CCC(=O)O 6acc2a01c603fa897d3b4200801180b7 [0,1,0,1,0,0|2,0,0]=4 5943 B13R1.643 CO[C@@H]1CCC[C@@H](C1)NCC(=O)O 93f29d046ca25ad85155c535f2eec764 [0,1,0,1,0,0|2,0,0]=4 5944 B13R1.643 CO[C@@H]1CCC[C@@H](C1)OCC(=O)O 149e9e699f2d688fd6c41ee423fbcec5 [0,1,0,1,0,0|2,0,0]=4 5945 B13R1.643 CO[C@@H]1CCC[C@H](C1)NCC(=O)O aec5f07e4dde52b94cfe0e25051c5d5b [0,1,0,1,0,0|2,0,0]=4 5946 B13R1.643 CO[C@@H]1COC[C@@H](C1)NCC(=O)O 58ef255453c0d1016cc8dd91200410cd [0,1,0,1,0,0|2,0,0]=4 5947 B13R1.643 CO[C@H]1CCCN(C1)CCC(=O)O 01f6671b929444c13cf3eaf1426209e1 [0,1,0,1,0,0|2,0,0]=4 5948 B13R1.643 CO[C@H]1CCC[C@@H](C1)NCC(=O)O 10ff305bcb8218f80fcd0214178263b2 [0,1,0,1,0,0|2,0,0]=4 5949 B13R1.643 CO[C@H]1CCC[C@@H](C1)OCC(=O)O e853e72e8a7893bae630d4634e5c63cf [0,1,0,1,0,0|2,0,0]=4 5950 B13R1.643 CO[C@H]1CCC[C@H](C1)NCC(=O)O 647ad9aa9850b144e5dcfb9d2b5f67bc [0,1,0,1,0,0|2,0,0]=4 5951 B13R1.643 CO[C@H]1COC[C@H](C1)NCC(=O)O b10e73fc386845fadbc8ec518f16afeb [0,1,0,1,0,0|2,0,0]=4 5952 B13R1.643 O=C(O)CCN1CCCC(C1)CO b53f1067004f057902d6b378e10f51ed [0,1,0,1,0,0|2,0,0]=4 5953 B13R1.643 O=C(O)CCN1CCC[C@@H](C1)CO c8bfb3886c451cd12e8b7272ba336ca8 [0,1,0,1,0,0|2,0,0]=4 5954 B13R1.643 O=C(O)CCN1CCC[C@H](C1)CO ea464915092fba369b5c446f8e145275 [0,1,0,1,0,0|2,0,0]=4 5955 B13R1.643 O=C(O)CCN1CCOC(C1)CCl 27bfbc43ffd0300963bfdff3518d34bc [0,1,0,1,0,0|2,0,0]=4 5956 B13R1.643 O=C(O)CCN1CCOC(C1)CO 58bbeab4d3811beed7fe25fb16c5ab87 [0,1,0,1,0,0|2,0,0]=4 5957 B13R1.643 O=C(O)CCN1CCO[C@@H](C1)CO 895b5f5e6c9f2872f4bdac7c51ff2c4c [0,1,0,1,0,0|2,0,0]=4 5958 B13R1.643 O=C(O)CCN1CCO[C@H](C1)CO 715ae2db578cf704c1b29a0444210906 [0,1,0,1,0,0|2,0,0]=4 5959 B13R1.643 O=C(O)CNC1CCCC(C1)CO 0fb46aaa4745f0c02ef521a16542d8ab [0,1,0,1,0,0|2,0,0]=4 5960 B13R1.643 O=C(O)CN[C@@H]1CCC[C@@H](C1)CO 8ac999329dbc3e9bed4090d452ac06cb [0,1,0,1,0,0|2,0,0]=4 5961 B13R1.643 O=C(O)CN[C@@H]1CCC[C@H](C1)CO 2efbbe799e80a5f118d16b5760487442 [0,1,0,1,0,0|2,0,0]=4 5962 B13R1.643 O=C(O)CN[C@H]1CCC[C@@H](C1)CO 90bee089d2032da06d4ac000b2003e5e [0,1,0,1,0,0|2,0,0]=4 5963 B13R1.643 O=C(O)CN[C@H]1CCC[C@H](C1)CO 1677e6d6722011fec4a1b60fbe551072 [0,1,0,1,0,0|2,0,0]=4 5964 B13R1.1022 CC(=O)CCN1CCCCCCC1 3b00eac956e0075df78ffa0c88023f76 [0,1,0,1,0,0|2,0,0]=4 5965 B13R1.1022 NC(=O)CCN1CCCCCCC1 012167a0773d301861f9a839b8757d7d [0,1,0,1,0,0|2,0,0]=4 5966 B13R1.1022 NC(=O)CNC1CCCCCCC1 6a70186d74480f3d3e4c7e09e4a83c7a [0,1,0,1,0,0|2,0,0]=4 5967 B13R1.1022 NC(=O)COC1CCCCCCC1 602e5f3934e01205934c7e805e93e91f [0,1,0,1,0,0|2,0,0]=4 5968 B13R1.1022 O=C(O)CCN1CCCCCCC1 a14b82353515aefd377f547bac034059 [0,1,0,1,0,0|1,0,0]=3 5969 B13R1.1022 O=C(O)CNC1/C=C\CCCCC1 b1415fa045cec872cf795385676c0d12 [0,1,0,1,0,0|1,0,1]=4 5970 B13R1.1022 O=C(O)CNC1CCCCCCC1 c2c73feb3b8b9bcc610ad9a77cda9a1d [0,1,0,1,0,0|1,0,0]=3 5971 B13R1.1022 O=C(O)COC1/C=C/CCCCC1 01693e763adc930b7fdd8e91a74327bd [0,1,0,1,0,0|1,0,1]=4 5972 B13R1.1022 O=C(O)COC1/C=C\CCCCC1 aa2f7f72dced4f78ac59d58de3ca6d63 [0,1,0,1,0,0|1,0,1]=4 5973 B13R1.1022 O=C(O)COC1C=CCCCCC1 2a09f1593141b32ba8f78a13bf23d032 [0,1,0,1,0,0|1,0,1]=4 5974 B13R1.1022 O=C(O)COC1CC/C=C/CCC1 4638c1af8b56cd537288c4292309d5e1 [0,1,0,1,0,0|1,0,1]=4 5975 B13R1.1022 O=C(O)COC1CC/C=C\CCC1 ca5eab9c94b61c1747b56489830c659c [0,1,0,1,0,0|1,0,1]=4 5976 B13R1.1022 O=C(O)COC1CCC=CCCC1 e76cfbb2c12f2637320175f8f6f196df [0,1,0,1,0,0|1,0,1]=4 5977 B13R1.1022 O=C(O)COC1CCCCCCC1 330e5c3b40bed0a56476ad6153361f77 [0,1,0,1,0,0|1,0,0]=3 5978 B13R1.1022 O=C(O)CO[C@@H]1CCC=CCCC1 59dcad6172f56c464cae8f3f0a4290ea [0,1,0,1,0,0|1,0,1]=4 5979 B13R1.1022 O=C(O)CO[C@H]1/C=C/CCCCC1 1054ae3cb321e1ab1282ebb2f9e984a0 [0,1,0,1,0,0|1,0,1]=4 5980 B13R1.1022 O=C(O)CO[C@H]1/C=C\CCCCC1 f158ca02d79dca2056cebc9ae5ce2b31 [0,1,0,1,0,0|1,0,1]=4 5981 B13R1.1193 C#CCN1C[C@@H]([C@@H](C1)C(=O)O)CC 6fe910607f3e1976e85af1a01f0b5c0b [0,1,0,1,0,0|1,0,1]=4 5982 B13R1.1193 C#CCN1C[C@H]([C@H](C1)C(=O)O)CC 6b7bf2c82f890673ce8c39af1a31cf27 [0,1,0,1,0,0|1,0,1]=4 5983 B13R1.1193 C#CC[C@@H]1C[C@H](N(C1)CC)C(=O)O 718387e45828558a3fe1880e0e469beb [0,1,0,1,0,0|1,0,1]=4 5984 B13R1.1193 C=CCN1C[C@@H]([C@@H](C1)C(=O)O)CC de1b45c87d65e6d0dbedac88be2b089e [0,1,0,1,0,0|1,0,1]=4 5985 B13R1.1193 C=CCN1C[C@H]([C@H](C1)C(=O)O)CC ef14f09eb1f8ecddfa149bf38497ae75 [0,1,0,1,0,0|1,0,1]=4 5986 B13R1.1193 C=CC[C@@H]1C[C@H](N(C1)CC)C(=O)O a07301cda7bee42a3235f85e9e92e0f0 [0,1,0,1,0,0|1,0,1]=4 5987 B13R1.1193 CCCN1C[C@@H]([C@@H](C1)C(=O)O)CC 032dcc7374feee5486610a4a8d66f995 [0,1,0,1,0,0|1,0,0]=3 5988 B13R1.1193 CCCN1C[C@H]([C@H](C1)C(=O)O)CC 39ed01ec16efbb6e844b8edd8a4cb0a2 [0,1,0,1,0,0|1,0,0]=3 5989 B13R1.1193 CCO[C@@H]1C[C@H](N(C1)CC)C(=O)O ddb24e4d01575c73142515b58fecbc3e [0,1,0,1,0,0|1,0,0]=3 5990 B13R1.1193 CCO[C@@H]1C[C@H](N(C1)CF)C(=O)O 0906a0ad860e9c5467c0c4463911ea8d [0,1,0,1,0,0|2,0,0]=4 5991 B13R1.1193 CCO[C@@H]1C[C@H](N(C1)CO)C(=O)O 9fa5ca988ab6f1e76348b7a58487df61 [0,1,0,1,0,0|2,0,0]=4 5992 B13R1.1193 CC[C@@H]1CN(C[C@@H]1C(=O)O)CC#N 03229197b8c31858e532088de43596ca [0,1,0,1,0,0|1,0,1]=4 5993 B13R1.1193 CC[C@@H]1CN(C[C@@H]1C(=O)O)CC=O fc4e8014e0106a319cb0bf01c17336bd [0,1,0,1,0,0|1,0,1]=4 5994 B13R1.1193 CC[C@@H]1CN(C[C@@H]1C(=O)O)CCF fe1454d3b7cfe9404e4c10b2470faae4 [0,1,0,1,0,0|1,0,0]=3 5995 B13R1.1193 CC[C@@H]1CN(C[C@@H]1C(=O)O)CCO 4e3a6def6b529344a8ca9bf0f62c14df [0,1,0,1,0,0|1,0,0]=3 5996 B13R1.1193 CC[C@@H]1CN(C[C@@H]1C(=O)O)CCS 9e2df69262700cc652d8e1a5fc9612ae [0,1,0,1,0,0|1,0,0]=3 5997 B13R1.1193 CC[C@@H]1CN(C[C@@H]1C(=O)O)COC 13e5efd6be75082adb0fe98c9e62fa8d [0,1,0,1,0,0|1,0,0]=3 5998 B13R1.1193 CC[C@@H]1CN(C[C@@H]1C(=O)O)CSC 9672462862af5235a7cf17d80e8865e8 [0,1,0,1,0,0|1,0,0]=3 5999 B13R1.1193 CC[C@H]1CN(C[C@H]1C(=O)O)CC#N c9dc67557787df982971cb6f13fda251 [0,1,0,1,0,0|1,0,1]=4 6000 B13R1.1193 CC[C@H]1CN(C[C@H]1C(=O)O)CC=O a49434d1dcf62cec879e02104f2b9452 [0,1,0,1,0,0|1,0,1]=4 6001 B13R1.1193 CC[C@H]1CN(C[C@H]1C(=O)O)CCF c11db2794a02a3ce43e234ce5af16e95 [0,1,0,1,0,0|1,0,0]=3 6002 B13R1.1193 CC[C@H]1CN(C[C@H]1C(=O)O)CCO 6e0549e6c9fc3bf2e88fe698b1a1df98 [0,1,0,1,0,0|1,0,0]=3 6003 B13R1.1193 CC[C@H]1CN(C[C@H]1C(=O)O)CCS 493fe5a9d243f9fc9672f5465b768d41 [0,1,0,1,0,0|1,0,0]=3 6004 B13R1.1193 CC[C@H]1CN(C[C@H]1C(=O)O)COC dd25045b0e16d433cd5ed34e2e6ce1e4 [0,1,0,1,0,0|1,0,0]=3 6005 B13R1.1193 CC[C@H]1CN(C[C@H]1C(=O)O)CSC d39b7a7cfb79b8f2155cc2f45103ecdb [0,1,0,1,0,0|1,0,0]=3 6006 B13R1.1220 C#CCN1CCCCC(C1)C(=O)O 1378cd9aee3b5609b244615b23ff07df [0,1,0,1,0,0|1,0,1]=4 6007 B13R1.1220 C=CCN1CCCCC(C1)C(=O)O 6a5a21d662e6e5efca886cbe0729dade [0,1,0,1,0,0|1,0,1]=4 6008 B13R1.1220 CCCN1CCCCC(C1)C(=O)O af2d2883fbda5f8a953c4285099dfb08 [0,1,0,1,0,0|1,0,0]=3 6009 B13R1.1220 CCNC1CCCCC(C1)C(=O)O 5088379115e3ea7afbdce62488a7b8e7 [0,1,0,1,0,0|0,0,0]=2 6010 B13R1.1220 CCOC1CCCCC(C1)C(=O)O cbfb5eae7ac5f71a5e80a32e8b5cbbc0 [0,1,0,1,0,0|0,0,0]=2 6011 B13R1.1220 COCN1CCCCC(C1)C(=O)O 164b567bf41e1404cfab0233c4f0c220 [0,1,0,1,0,0|1,0,0]=3 6012 B13R1.1220 CSCN1CCCCC(C1)C(=O)O 9a78001a7fce1a8dc4881c8134ebf030 [0,1,0,1,0,0|1,0,0]=3 6013 B13R1.1220 N#CCN1CCCCC(C1)C(=O)O 6f43fca448e8e099ffa61f74ad5912cd [0,1,0,1,0,0|1,0,1]=4 6014 B13R1.1220 O=C(O)C1CCCCC(C1)NCF e597c7c2d8e4ed17015862a7e34cbc43 [0,1,0,1,0,0|1,0,0]=3 6015 B13R1.1220 O=C(O)C1CCCCC(C1)NCO cb14ff0a262d2a640d881a26c9773d58 [0,1,0,1,0,0|1,0,0]=3 6016 B13R1.1220 O=C(O)C1CCCCC(C1)OCF b8af7b96a82c671459b724f7ba101e21 [0,1,0,1,0,0|1,0,0]=3 6017 B13R1.1220 O=C(O)C1CCCCN(C1)CCF de9a4965387259b8fc82b5c7be89193f [0,1,0,1,0,0|1,0,0]=3 6018 B13R1.1220 O=C(O)C1CCCCN(C1)CCO d062fc58330a0affdfed4a6c3e977de4 [0,1,0,1,0,0|1,0,0]=3 6019 B13R1.1220 O=C(O)C1CCCCN(C1)CCS 315bc9b84fa11e3b60925a52da9f47a1 [0,1,0,1,0,0|1,0,0]=3 6020 B13R1.1220 O=CCN1CCCCC(C1)C(=O)O 456e47ea3527f22d646e57e271334f5c [0,1,0,1,0,0|1,0,1]=4 6021 B13R1.2603 CC(=O)CCN(CCO)C1CCC1 017e6780bb21d56017bb36bcd6fc2a5c [0,1,0,1,0,0|2,0,0]=4 6022 B13R1.2603 NC(=O)CCN(CCO)C1CCC1 7cfe95d65d47fead31cd61e33383dbac [0,1,0,1,0,0|2,0,0]=4 6023 B13R1.2603 O=C(O)CCN(CCO)C1CCC1 9aacdd20da5079ad67eb42984c7b4b75 [0,1,0,1,0,0|1,0,0]=3 6024 B13R1.2603 O=C(O)CCN(CCO)C1COC1 614e58a21fc1739af550d027b6c17bbd [0,1,0,1,0,0|2,0,0]=4 6025 B13R1.2605 C#CCN(CCC(=O)O)CC1CC1 e6286f5e049f26dbd28b531b172bb2d3 [0,1,0,1,0,0|1,0,1]=4 6026 B13R1.2605 C=CCN(CCC(=O)O)CC1CC1 72c1525d317391a7b8f4e2ea324745f2 [0,1,0,1,0,0|1,0,1]=4 6027 B13R1.2605 CC(=O)CCN(CCO)CC1CC1 cabcb155474e5c4fd9194b3b3b13507c [0,1,0,1,0,0|2,0,0]=4 6028 B13R1.2605 CCCN(CCC(=O)C)CC1CC1 7e8f7e153560ec0660df737be4828de9 [0,1,0,1,0,0|2,0,0]=4 6029 B13R1.2605 CCCN(CCC(=O)N)CC1CC1 45b182a5a3fd5e2e865f99e7f7e3690a [0,1,0,1,0,0|2,0,0]=4 6030 B13R1.2605 CCCN(CCC(=O)O)CC1CC1 dd1a286a5dee9ebd73e07fa54e4ab742 [0,1,0,1,0,0|1,0,0]=3 6031 B13R1.2605 COCN(CCC(=O)O)CC1CC1 771c8873842786146074f945f759a0e0 [0,1,0,1,0,0|1,0,0]=3 6032 B13R1.2605 CSCN(CCC(=O)O)CC1CC1 63fe2d037ed6dcd36e0a46a117782c9e [0,1,0,1,0,0|1,0,0]=3 6033 B13R1.2605 N#CCN(CCC(=O)O)CC1CC1 b9eb9bdce3e693bae484824ef9f42a92 [0,1,0,1,0,0|1,0,1]=4 6034 B13R1.2605 NC(=O)CCN(CCO)CC1CC1 fb78f6199574168e9b3f06a404f96103 [0,1,0,1,0,0|2,0,0]=4 6035 B13R1.2605 O=C(O)CCN(CCF)CC1CC1 2d2ad388e21d811311be431402643b57 [0,1,0,1,0,0|1,0,0]=3 6036 B13R1.2605 O=C(O)CCN(CCO)CC1CC1 e011152f291765f064edf60c6ff2410b [0,1,0,1,0,0|1,0,0]=3 6037 B13R1.2605 O=C(O)CCN(CCS)CC1CC1 17c7e144cb0afffdacb22e349301f280 [0,1,0,1,0,0|1,0,0]=3 6038 B13R1.2605 O=CCN(CCC(=O)O)CC1CC1 15c1c805cced5183a82f15a6a19117d5 [0,1,0,1,0,0|1,0,1]=4 6039 B13R1.3501 CC(=O)CCN1CCCCC(C1)O 31d33922907d70dbc4a0fbfbd15cf500 [0,1,0,1,0,0|2,0,0]=4 6040 B13R1.3501 CC(=O)CCN1CCCC[C@H](C1)O 414803ceb91961f06570d6e1f6e3257e [0,1,0,1,0,0|2,0,0]=4 6041 B13R1.3501 CC1CN(CCCO1)CCC(=O)O 77073d136e205cc4f59677cb7389fc0e [0,1,0,1,0,0|2,0,0]=4 6042 B13R1.3501 CN1CCCCC(C1)NCC(=O)N 7135cfd45e542d9538b32252d2fb6b73 [0,1,0,1,0,0|2,0,0]=4 6043 B13R1.3501 CN1CCCCC(C1)NCC(=O)O adaca9e844b7af16655de869d7946988 [0,1,0,1,0,0|1,0,0]=3 6044 B13R1.3501 CN1CCCC[C@@H](C1)NCC(=O)N 150d02e3048895f51c1a4982e6641437 [0,1,0,1,0,0|2,0,0]=4 6045 B13R1.3501 CN1CCCC[C@@H](C1)NCC(=O)O 08ceea893f9937c083504408e5d03699 [0,1,0,1,0,0|1,0,0]=3 6046 B13R1.3501 CN1CCCC[C@H](C1)NCC(=O)N 23d863d051d4718feb1f400ddee9cb09 [0,1,0,1,0,0|2,0,0]=4 6047 B13R1.3501 CN1CCCC[C@H](C1)NCC(=O)O 8c3cffd3fd642acdaad667386d3fd86e [0,1,0,1,0,0|1,0,0]=3 6048 B13R1.3501 CN1CCOCC(C1)NCC(=O)O 8dfa6d5c52fb2e8da7144e2df0fb3ec9 [0,1,0,1,0,0|2,0,0]=4 6049 B13R1.3501 CN1CCOCC(C1)OCC(=O)O 9713ec2fe1327ae6a0072fe63a0d5076 [0,1,0,1,0,0|2,0,0]=4 6050 B13R1.3501 CN1CCOC[C@@H](C1)NCC(=O)O f70d3e48f9bdad8149394fb722c7b5f0 [0,1,0,1,0,0|2,0,0]=4 6051 B13R1.3501 CN1CCOC[C@@H](C1)OCC(=O)O de90f4d853effcfb6f36082cf3cf8613 [0,1,0,1,0,0|2,0,0]=4 6052 B13R1.3501 CN1CCOC[C@H](C1)NCC(=O)O 3a8d7db0abfaa3a3c162cc1be686485a [0,1,0,1,0,0|2,0,0]=4 6053 B13R1.3501 CN1CCOC[C@H](C1)OCC(=O)O 81bdd83af4090b483302fd490b7c8f12 [0,1,0,1,0,0|2,0,0]=4 6054 B13R1.3501 NC(=O)CCN1CCCCC(C1)O 92cb3f8986bac470e7052c5f6343d9c9 [0,1,0,1,0,0|2,0,0]=4 6055 B13R1.3501 NC(=O)CCN1CCCC[C@H](C1)O 51a12db8155080f172112fba46ad6070 [0,1,0,1,0,0|2,0,0]=4 6056 B13R1.3501 O=C(O)CCN1CCCCC(C1)O e96221d9f05007ea76e02312a55a17b8 [0,1,0,1,0,0|1,0,0]=3 6057 B13R1.3501 O=C(O)CCN1CCCC[C@H](C1)O 4dfa32d0545d7b664e03652e3093b6cc [0,1,0,1,0,0|1,0,0]=3 6058 B13R1.3501 O=C(O)CCN1CCOCC(C1)F b6efd875d0f688dc54d61f881daf55b8 [0,1,0,1,0,0|2,0,0]=4 6059 B13R1.3501 O=C(O)CCN1CCOCC(C1)O cee251182c863bef493dbd3b707a81a0 [0,1,0,1,0,0|2,0,0]=4 6060 B13R1.3501 O=C(O)CCN1CCOC[C@@H](C1)F 7496b3713273de561b3fdc6da4fd14da [0,1,0,1,0,0|2,0,0]=4 6061 B13R1.3501 O=C(O)CCN1CCOC[C@@H](C1)O d50586d3cf7ce242f8e8c377e61a5a4b [0,1,0,1,0,0|2,0,0]=4 6062 B13R1.3501 O=C(O)CCN1CCOC[C@H](C1)F 02db521602f62fdb1482ea85087e187f [0,1,0,1,0,0|2,0,0]=4 6063 B13R1.3501 O=C(O)CCN1CCOC[C@H](C1)O e5c37eae9e2ca00a083b3bedaa3c5dcc [0,1,0,1,0,0|2,0,0]=4 6064 B13R1.3796 CC(=O)CCN1CCCC(CC1)C b33eb3612105a055c8343a6a002cafd6 [0,1,0,1,0,0|2,0,0]=4 6065 B13R1.3796 CC(=O)CCN1CCCC(CC1)F 3d0e976c70366b1607525beebc916229 [0,1,0,1,0,0|2,0,0]=4 6066 B13R1.3796 CC(=O)CCN1CCCC(CC1)O 11b43c5acee080c506afaa979da79ae0 [0,1,0,1,0,0|2,0,0]=4 6067 B13R1.3796 CC(=O)CCN1CCCN(CC1)C 940c780e5b35793148d5eee4b27af68f [0,1,0,1,0,0|2,0,0]=4 6068 B13R1.3796 CC(=O)CCN1CCC[C@@H](CC1)O 6d5124efc95688fddbc0cf385bdd833f [0,1,0,1,0,0|2,0,0]=4 6069 B13R1.3796 CC(=O)CCN1CCC[C@H](CC1)O c16ed6006b3789e3910974e640acdc51 [0,1,0,1,0,0|2,0,0]=4 6070 B13R1.3796 CC(C)CCN1CCCC(=O)CC1 13800f63f60a21ee311dc6c0748ba347 [0,1,0,1,0,0|2,0,0]=4 6071 B13R1.3796 CC(C)CCN1CCNC(=O)CC1 3ea39bf190829b23672476eddfb329b6 [0,1,0,1,0,0|2,0,0]=4 6072 B13R1.3796 CC(C)OCC1CCNC(=O)CC1 381cc0a5015bddcf87af2b7ae6b5d1b1 [0,1,0,1,0,0|2,0,0]=4 6073 B13R1.3796 CC(O)CCN1CCCC(=O)CC1 0a7b1e01a8b8e421241f0b1602e006d4 [0,1,0,1,0,0|2,0,0]=4 6074 B13R1.3796 CC(O)CCN1CCNC(=O)CC1 3590fc710b93236cd4457a4224e65518 [0,1,0,1,0,0|2,0,0]=4 6075 B13R1.3796 CC1CCCN(CC1)CCC(=O)N a92821900185628477fe4733e81cb251 [0,1,0,1,0,0|2,0,0]=4 6076 B13R1.3796 CC1CCCN(CC1)CCC(=O)O f3ca73b04bd04274f53bb20ea26aed62 [0,1,0,1,0,0|1,0,0]=3 6077 B13R1.3796 CN1CCCC(CC1)NCC(=O)N 78705af4e7acb9f1b20bf25e8c61ac87 [0,1,0,1,0,0|2,0,0]=4 6078 B13R1.3796 CN1CCCC(CC1)NCC(=O)O 3dd2b9e4e2aab5268f4dd408313da859 [0,1,0,1,0,0|1,0,0]=3 6079 B13R1.3796 CN1CCCC(CC1)OCC(=O)N 7450cf05ea02ff4af5c221c81ce811b2 [0,1,0,1,0,0|2,0,0]=4 6080 B13R1.3796 CN1CCCC(CC1)OCC(=O)O 97a134fdaafdfd522afc918f92080f58 [0,1,0,1,0,0|1,0,0]=3 6081 B13R1.3796 CN1CCCN(CC1)CCC(=O)N e7e73a7796752ffe4cb85cadb91e8c0b [0,1,0,1,0,0|2,0,0]=4 6082 B13R1.3796 CN1CCCN(CC1)CCC(=O)O f965dec7098825b773f11ed7c658beab [0,1,0,1,0,0|1,0,0]=3 6083 B13R1.3796 CN1CCC[C@@H](CC1)OCC(=O)N 79edb61e7f1f35f28c62d6b9f7a93b46 [0,1,0,1,0,0|2,0,0]=4 6084 B13R1.3796 CN1CCC[C@@H](CC1)OCC(=O)O c98df0bc71a174013dad568466d44afa [0,1,0,1,0,0|1,0,0]=3 6085 B13R1.3796 CN1CCC[C@H](CC1)OCC(=O)N 1bf059f5b8f5c4fdf54921b9e6a8d1e8 [0,1,0,1,0,0|2,0,0]=4 6086 B13R1.3796 CN1CCC[C@H](CC1)OCC(=O)O 3810a9ddaeac86d67651f1cb105b535b [0,1,0,1,0,0|1,0,0]=3 6087 B13R1.3796 NC(=O)CCN1CCCC(CC1)F 3f24e5e8be91625a5569f418a93c381d [0,1,0,1,0,0|2,0,0]=4 6088 B13R1.3796 NC(=O)CCN1CCCC(CC1)O d3e742b84dcc70762b17e1fa9e0d77bf [0,1,0,1,0,0|2,0,0]=4 6089 B13R1.3796 NC(=O)CCN1CCC[C@@H](CC1)O 88378cae42cba90160ba2c66b97d1c06 [0,1,0,1,0,0|2,0,0]=4 6090 B13R1.3796 NC(=O)CCN1CCC[C@H](CC1)O 0a2ebfc1c5d98607988cb30107d695e8 [0,1,0,1,0,0|2,0,0]=4 6091 B13R1.3796 O=C(O)CCN1CCCC(CC1)F 36f2d049bd8fae117ea0e661690d0bec [0,1,0,1,0,0|1,0,0]=3 6092 B13R1.3796 O=C(O)CCN1CCCC(CC1)O 7677d494d2e67e01b5782410563affea [0,1,0,1,0,0|1,0,0]=3 6093 B13R1.3796 O=C(O)CCN1CCC[C@@H](CC1)O 70c142f932d49c73a9d905a0f6886d6a [0,1,0,1,0,0|1,0,0]=3 6094 B13R1.3796 O=C(O)CCN1CCC[C@H](CC1)O 97d4d0c8fe33f3b5e2d1c0853f6d933d [0,1,0,1,0,0|1,0,0]=3 6095 B13R1.7308 COCC1(CCCC1)CNC(=O)C e5d3d958e9d8a261b2c1033161719222 [0,1,0,1,0,0|2,0,0]=4 6096 B13R1.7308 COCC1(CCCC1)NCC(=O)N 3701c06da2bbe18438d2400fd3c6ee67 [0,1,0,1,0,0|2,0,0]=4 6097 B13R1.7308 COCC1(CCCC1)NCC(=O)O ecc07b76bedc98e6aa838a2242eb640c [0,1,0,1,0,0|1,0,0]=3 6098 B13R1.7308 N#CCC1(CCCC1)NCC(=O)O c2131ce48f5c13e6a0c61f7139cbdd80 [0,1,0,1,0,0|1,0,1]=4 6099 B13R1.7308 NC(=O)CNC1(CCCC1)CCO c4a5002fc5689c37281adcd22f7ee44c [0,1,0,1,0,0|2,0,0]=4 6100 B13R1.7308 O=C(O)CNC1(CCCC1)CCO ca5ecbf35973609f5665565255989bbb [0,1,0,1,0,0|1,0,0]=3 6101 B13R1.7308 O=C(O)CNC1(CCOC1)CCO cd832ed835f26bb4212a82a433959c4b [0,1,0,1,0,0|2,0,0]=4 6102 B13R1.7780 CCCCN(CCC(=O)O)C1CC1 212f86636c17e118661696ce13e68166 [0,1,0,1,0,0|1,0,0]=3 6103 B13R1.7780 CCOCN(CCC(=O)O)C1CC1 2aa2e27d0b89136e8867374030dcef97 [0,1,0,1,0,0|2,0,0]=4 6104 B13R1.7780 COCCN(CCC(=O)O)C1CC1 f5abcfc062affe79d62ec4d25ba61798 [0,1,0,1,0,0|2,0,0]=4 6105 B13R1.7780 CSCCN(CCC(=O)O)C1CC1 657c4979ccee4c91fc50e4393f07fbea [0,1,0,1,0,0|2,0,0]=4 6106 B13R1.7780 O=C(O)CCN(CCCF)C1CC1 7f2711c5cf0c96873928b8d33734c896 [0,1,0,1,0,0|2,0,0]=4 6107 B13R1.7780 O=C(O)CCN(CCCO)C1CC1 a7bea160dab4cfaebc3f55cbf5dc4334 [0,1,0,1,0,0|2,0,0]=4 6108 B13R1.13 CC(C)N1CCN(C(C1)C(=O)O)C 3de42e65a231c19a589a8dd333d0c992 [0,1,0,1,0,0|2,0,0]=4 6109 B13R1.13 CC(C)N1CCN([C@@H](C1)C(=O)O)C a91c78efdc997a760206538110fa5334 [0,1,0,1,0,0|2,0,0]=4 6110 B13R1.70 CC[C@@H]1CN(C[C@@H]1C(=O)O)C(C)C d4f9e26e028a1e187ca43a2d8e5f5a5f [0,1,0,1,0,0|1,0,0]=3 6111 B13R1.70 CC[C@H]1CN(C[C@H]1C(=O)O)C(C)C 0bdb342abf1e8551f83c38984dfd0134 [0,1,0,1,0,0|1,0,0]=3 6112 B13R1.76 CCCOC1CCC(=O)CC1(C)C ad339dc6e75530a74824449e10f49f91 [0,1,0,1,0,0|2,0,0]=4 6113 B13R1.164 CC(=O)CCN1CCC(CC1C)C 0ebc6839878742121d966503e9711e5e [0,1,0,1,0,0|2,0,0]=4 6114 B13R1.164 CC(=O)CCN1CCC(CC1C)O d20d1d6ce091b864cd7e0200a1bbd4b1 [0,1,0,1,0,0|2,0,0]=4 6115 B13R1.164 CC(=O)CCN1CC[C@@H](C[C@@H]1C)C 4959e5aabee3132847fce0bc3256c014 [0,1,0,1,0,0|2,0,0]=4 6116 B13R1.164 CC(=O)CCN1CC[C@@H](C[C@H]1C)O 6e1ab109bdf72588e2df21f6b5b64970 [0,1,0,1,0,0|2,0,0]=4 6117 B13R1.164 CC(=O)CCN1CC[C@H](C[C@H]1C)C b46ac27c01a70f0efdef2902b0b0f368 [0,1,0,1,0,0|2,0,0]=4 6118 B13R1.164 CC(=O)CCN1CC[C@H](C[C@H]1C)O 853be69c4cea69de4d64e41f9151d7f4 [0,1,0,1,0,0|2,0,0]=4 6119 B13R1.164 CC(C)COC1CCC(=O)CC1C 2093f048cd4983ab6abbbc2d76788475 [0,1,0,1,0,0|2,0,0]=4 6120 B13R1.164 CC(C)COC1CCC(=O)NC1C c464e0873b175c515db689104b0fa68d [0,1,0,1,0,0|2,0,0]=4 6121 B13R1.164 CC1CC(=O)CCC1OCC(=O)O 46c288963535a06556edf84619d0e7fa [0,1,0,1,0,0|1,0,1]=4 6122 B13R1.164 CC1CC(CCN1CCC(=O)N)O f1c0de2c73a32a352a4ffc0ad94a1d47 [0,1,0,1,0,0|2,0,0]=4 6123 B13R1.164 CC1CC(CCN1CCC(=O)O)O d76005f36a044f61b0b6155b0c0eea11 [0,1,0,1,0,0|1,0,0]=3 6124 B13R1.164 CC1CCC(C(C1)C)OCC(=O)N c9c25e060be75f2ca3c40dd5f1cd581d [0,1,0,1,0,0|2,0,0]=4 6125 B13R1.164 CC1CCC(C(C1)C)OCC(=O)O d979f381d5599d407fd761bfe9fda952 [0,1,0,1,0,0|1,0,0]=3 6126 B13R1.164 CC1CCN(C(C1)C)CCC(=O)N 3510ccab7b51fe3c79488303107eef3b [0,1,0,1,0,0|2,0,0]=4 6127 B13R1.164 CC1CCN(C(C1)C)CCC(=O)O 4538f6a674c9b1b800d5dac5b7a97a14 [0,1,0,1,0,0|1,0,0]=3 6128 B13R1.164 CC1CN(CCN1CCC(=O)O)C 34cdef8a782e75122a59a7f9c375f6c6 [0,1,0,1,0,0|2,0,0]=4 6129 B13R1.164 CN1CC[C@H]([C@@H](C1)F)NCC(=O)O e6c162e8ce5a90badd1707672753235b [0,1,0,1,0,0|2,0,0]=4 6130 B13R1.164 CN1CC[C@H]([C@H](C1)F)NCC(=O)O 80bd16f9a9ca95b4ec8e1c76aeee7ae6 [0,1,0,1,0,0|2,0,0]=4 6131 B13R1.164 C[C@@H]1CCN([C@@H](C1)C)CCC(=O)N 1c97647e9a317a980655d6fb22d2202e [0,1,0,1,0,0|2,0,0]=4 6132 B13R1.164 C[C@@H]1CCN([C@@H](C1)C)CCC(=O)O 089c2eeefc67586742deb505e6d883b9 [0,1,0,1,0,0|1,0,0]=3 6133 B13R1.164 C[C@@H]1CN(CCN1CCC(=O)O)C 7d7d8f79bc1d934a0e97df51173fe48e [0,1,0,1,0,0|2,0,0]=4 6134 B13R1.164 C[C@@H]1CN(CC[C@H]1NCC(=O)O)C dff584e042e59a0f7f5ae5a928c11e51 [0,1,0,1,0,0|2,0,0]=4 6135 B13R1.164 C[C@@H]1C[C@@H](CCN1CCC(=O)N)O 0d1837c85ba105924e440cd1d5065fb2 [0,1,0,1,0,0|2,0,0]=4 6136 B13R1.164 C[C@@H]1C[C@@H](CCN1CCC(=O)O)O cde8a6c45baa4ed6a93480caad563756 [0,1,0,1,0,0|1,0,0]=3 6137 B13R1.164 C[C@@H]1C[C@H](CCN1CCC(=O)N)O 1d33ee519e55a2ed3514abdd3d88d480 [0,1,0,1,0,0|2,0,0]=4 6138 B13R1.164 C[C@@H]1C[C@H](CCN1CCC(=O)O)O 829accf15ff21c3dae1a5fcc9e649833 [0,1,0,1,0,0|1,0,0]=3 6139 B13R1.164 C[C@H]1CCN([C@H](C1)C)CCC(=O)N fec76db38f4771d06a6ab4834e6fdf57 [0,1,0,1,0,0|2,0,0]=4 6140 B13R1.164 C[C@H]1CCN([C@H](C1)C)CCC(=O)O 4616d030635cc1eb32a7a86357e27993 [0,1,0,1,0,0|1,0,0]=3 6141 B13R1.164 C[C@H]1CN(CCN1CCC(=O)O)C 880e9c7eff621cef5eb66f713bb395b4 [0,1,0,1,0,0|2,0,0]=4 6142 B13R1.164 C[C@H]1CN(CC[C@H]1NCC(=O)O)C 331fa35ae4e42dfd558178fa9a7a4c17 [0,1,0,1,0,0|2,0,0]=4 6143 B13R1.280 CC(=O)CCN1CCCCCC1C c79a0ebee0bdabca74d1f6ecc15aafc4 [0,1,0,1,0,0|2,0,0]=4 6144 B13R1.280 CC(=O)CCN1CCCOCC1C c017240dee275aad0200d15fb1cbcf69 [0,1,0,1,0,0|2,0,0]=4 6145 B13R1.280 CC(=O)CCN1CCOCCC1C 53b1ae03143fd207bb0b892a0aeecd2a [0,1,0,1,0,0|2,0,0]=4 6146 B13R1.280 CC(=O)CCN1CCSCCC1C 7ce04b2692998d2371ce8d24a37ada72 [0,1,0,1,0,0|2,0,0]=4 6147 B13R1.280 CC1CCCCCN1CCC(=O)N 35755eaabf27dc7a2dfb38c85c5f2e55 [0,1,0,1,0,0|2,0,0]=4 6148 B13R1.280 CC1CCCCCN1CCC(=O)O aac07d5b66022a5ccb6d9e1724419074 [0,1,0,1,0,0|1,0,0]=3 6149 B13R1.280 CC1CCOCCN1CCC(=O)N 36a91cd009139a4a0897d7f8449d7dc7 [0,1,0,1,0,0|2,0,0]=4 6150 B13R1.280 CC1CCOCCN1CCC(=O)O bf9364284057917baa7d6a35e09eb648 [0,1,0,1,0,0|1,0,0]=3 6151 B13R1.280 CC1CCSCCN1CCC(=O)N a0b7c7953953eff7da62143ff904d98d [0,1,0,1,0,0|2,0,0]=4 6152 B13R1.280 CC1CCSCCN1CCC(=O)O f9d1166633f830b47ea816714859f8e8 [0,1,0,1,0,0|1,0,0]=3 6153 B13R1.280 CC1COCCCN1CCC(=O)N ceb6900627dfbe51f22dc970f9abcced [0,1,0,1,0,0|2,0,0]=4 6154 B13R1.280 CC1COCCCN1CCC(=O)O cba5bb0730ef6281a52187953a6f7147 [0,1,0,1,0,0|1,0,0]=3 6155 B13R1.280 NC(=O)CN[C@@H]1CCCCC[C@@H]1O 76e124e34e4365b78a60c0ee423eb038 [0,1,0,1,0,0|2,0,0]=4 6156 B13R1.280 NC(=O)CN[C@@H]1CCCCC[C@H]1O a08363823c5fddb74f29fadd87458c9c [0,1,0,1,0,0|2,0,0]=4 6157 B13R1.280 NC(=O)CN[C@H]1CCCCC[C@@H]1O 4e38886c8be3a8bffd2e0a359a20517f [0,1,0,1,0,0|2,0,0]=4 6158 B13R1.280 O=C(O)CN[C@@H]1CCCCC[C@@H]1O 49c1c55560994bdc62dc10af84166624 [0,1,0,1,0,0|1,0,0]=3 6159 B13R1.280 O=C(O)CN[C@@H]1CCCCC[C@H]1O b5b8e2478ba424834fb9e2d51ff8939f [0,1,0,1,0,0|1,0,0]=3 6160 B13R1.280 O=C(O)CN[C@H]1CCCCC[C@@H]1O 5db0b2eefd61baf6e065e9fbf83ec5a0 [0,1,0,1,0,0|1,0,0]=3 6161 B13R1.280 O=C(O)COC1CCCCCC1=O 1fe90659c5161d0c642945ff599c47c9 [0,1,0,1,0,0|1,0,1]=4 6162 B13R1.589 CC(=O)C1CCCCN1CC(=O)O 4be2162fdb1896b221bcd73315680037 [0,1,0,1,0,0|1,0,1]=4 6163 B13R1.589 CC(C)C1COCCN1CC(=O)O 469c4bbff145e1aafa0664720a2e6682 [0,1,0,1,0,0|2,0,0]=4 6164 B13R1.589 CC(C)N1CCCCC1CC(=O)N c70b431fc50e6204690f0ff91863ad62 [0,1,0,1,0,0|2,0,0]=4 6165 B13R1.589 CC(C)N1CCCCC1CC(=O)O 029de05de5c18e8e5c1c738413a4c443 [0,1,0,1,0,0|1,0,0]=3 6166 B13R1.589 CC(C)N1CCCC[C@@H]1CC(=O)N 0a8e4da81bf7e2fdaab08a8ed5995e38 [0,1,0,1,0,0|2,0,0]=4 6167 B13R1.589 CC(C)N1CCCC[C@H]1CC(=O)N 792e06c62193cfcfb1cd2f4f0bb3b379 [0,1,0,1,0,0|2,0,0]=4 6168 B13R1.589 CC(C)N1CCCC[C@H]1CC(=O)O 36449a3afe72b418d83f355a4e8921f4 [0,1,0,1,0,0|1,0,0]=3 6169 B13R1.589 CC(C)N1CCOCC1CC(=O)O 8d43ae9a4037019d03fa29918599f075 [0,1,0,1,0,0|2,0,0]=4 6170 B13R1.589 CC(C)[C@@H]1COCCN1CC(=O)O 1939e2384185bb42d18375ddb9b85ac6 [0,1,0,1,0,0|2,0,0]=4 6171 B13R1.589 CC(C)[C@H]1COCCN1CC(=O)O 20c8888f9fd4b5b2e851f3d5c22414a9 [0,1,0,1,0,0|2,0,0]=4 6172 B13R1.589 O=C(O)CN1CCCCC1C(F)F a6727a5dfb3a8e47782b208403a0c7e7 [0,1,0,1,0,0|2,0,0]=4 6173 B13R1.589 O=C(O)CN1CCCC[C@@H]1C(F)F 2c2769f98b195e57cddf508d4802aa59 [0,1,0,1,0,0|2,0,0]=4 6174 B13R1.589 O=C(O)CN1CCCC[C@H]1C(F)F 58785b2a221674520f7cc616d4b82ef7 [0,1,0,1,0,0|2,0,0]=4 6175 B13R1.1060 CC(C)N1CCCCC(C1)C(=O)O 504f37feb8992c8f7fc86d8570f66149 [0,1,0,1,0,0|1,0,0]=3 6176 B13R1.3020 CO[C@@H]1C[C@@H](N(C1)CCC(=O)O)C 2d082969bde0c8027a400ec775987018 [0,1,0,1,0,0|2,0,0]=4 6177 B13R1.3020 CO[C@@H]1C[C@H](N(C1)CCC(=O)O)C 14f2c32601dbdd73d48b0a8498ca58e3 [0,1,0,1,0,0|2,0,0]=4 6178 B13R1.3020 CO[C@H]1C[C@@H](N(C1)CCC(=O)O)C 52f1a0e1446d94d7db0ae4ab6287a840 [0,1,0,1,0,0|2,0,0]=4 6179 B13R1.3020 CO[C@H]1C[C@H](N(C1)CCC(=O)O)C 8921d4ba65944ad6bb0c7f928c6bfea1 [0,1,0,1,0,0|2,0,0]=4 6180 B13R1.3575 CC(=O)CCN1CCCCC1(C)C b130ee1b54b5cd3110cfd9a58f219ed0 [0,1,0,1,0,0|2,0,0]=4 6181 B13R1.3575 CC1(CCCCC1NCC(=O)N)C 028e281e1e55842f8c240c710222e987 [0,1,0,1,0,0|2,0,0]=4 6182 B13R1.3575 CC1(CCCCC1NCC(=O)N)O d2866accc493b13a8267191f8373560d [0,1,0,1,0,0|2,0,0]=4 6183 B13R1.3575 CC1(CCCCC1NCC(=O)O)C f0219090049c8878dcd695efccd9a2c0 [0,1,0,1,0,0|1,0,0]=3 6184 B13R1.3575 CC1(CCCCC1NCC(=O)O)O c4d55278480ccaa3de58f38c75d298ac [0,1,0,1,0,0|1,0,0]=3 6185 B13R1.3575 CC1(CCCCC1OCC(=O)N)C 77678a43ab507c560efb544fc8394fb0 [0,1,0,1,0,0|2,0,0]=4 6186 B13R1.3575 CC1(CCCCC1OCC(=O)O)C f9c82a28b8ca3fc8fe96e2ac2285b2dc [0,1,0,1,0,0|1,0,0]=3 6187 B13R1.3575 CC1(CCCCN1CCC(=O)N)C 0ce582be67e9971e3bce3550672f98c5 [0,1,0,1,0,0|2,0,0]=4 6188 B13R1.3575 CC1(CCCCN1CCC(=O)O)C ceab7f8d11226ee3930799051314ffd6 [0,1,0,1,0,0|1,0,0]=3 6189 B13R1.3575 CC1(COCCC1NCC(=O)O)C 26286f4dce99f9ebefbaf1fa8411ce4b [0,1,0,1,0,0|2,0,0]=4 6190 B13R1.3575 CC1(COCCC1OCC(=O)O)C 19490deda1094a805179a9c76a906088 [0,1,0,1,0,0|2,0,0]=4 6191 B13R1.3575 CC1(COCCN1CCC(=O)O)C 6016ef44229c49b05fca21f192b9f153 [0,1,0,1,0,0|2,0,0]=4 6192 B13R1.3575 O=C(O)CNC1CCCCC1(F)F 1100b48bf25bb031d323dd8ba569e6e9 [0,1,0,1,0,0|2,0,0]=4 6193 B13R1.3575 O=C(O)COC1CCCCC1(F)F eb41d7d8e434b695458c678a8b123dfa [0,1,0,1,0,0|2,0,0]=4 6194 B13R1.5191 CC(C)N(CCC(=O)N)CC1CC1 d93ea47d35f3529d79f7b39c7bc56167 [0,1,0,1,0,0|2,0,0]=4 6195 B13R1.5191 CC(C)N(CCC(=O)O)CC1CC1 f66fcdf8cb7fa325d90fae0ef8b5ce52 [0,1,0,1,0,0|1,0,0]=3 6196 B13R1.5901 CC(=O)CCN1CCC(C1(C)C)C b21eaa9435278acb71285543ec45dd4b [0,1,0,1,0,0|2,0,0]=4 6197 B13R1.5901 CC1(C(CCN1CCC(=O)O)O)C 0c9d39b5b200e47cd3f1c55eec29de82 [0,1,0,1,0,0|2,0,0]=4 6198 B13R1.5901 CC1CCN(C1(C)C)CCC(=O)N 16a72eec8f7629ffe50dd765e29d98a3 [0,1,0,1,0,0|2,0,0]=4 6199 B13R1.5901 CC1CCN(C1(C)C)CCC(=O)O dcc99b9ddc64fde2ee2f4eba5e3a3a67 [0,1,0,1,0,0|1,0,0]=3 6200 B13R1.7749 CC(C)N(CCC(=O)O)C1COC1 eedeab1297d112b8636e56ce5462af44 [0,1,0,1,0,0|2,0,0]=4 6201 B13R1.115 CC1CCCN(C1CO)CC(=O)O eb29cbe9d7dabf39ceaa5a2c7ad63925 [0,1,0,1,0,0|2,0,0]=4 6202 B13R1.413 CCC(CNC(=O)C)N1CCCC1 567871f9d69c1edec919ec71c4c14204 [0,1,0,1,0,0|2,0,0]=4 6203 B13R1.413 CCC(NCC(=O)N)C1CCCC1 d5a9b8dfff0923b1a6dfdc0fb01ef4d5 [0,1,0,1,0,0|2,0,0]=4 6204 B13R1.413 CCC(NCC(=O)O)C1CCCC1 38e3bfc522c929d0a033a01e90821ec1 [0,1,0,1,0,0|1,0,0]=3 6205 B13R1.413 CCN(CCC(=O)C)C1CCCC1 09e8be19d102878b5814690f6d94b27c [0,1,0,1,0,0|2,0,0]=4 6206 B13R1.413 CCN(CCC(=O)C)C1CCOC1 56db3b7b95adb99d22e639b801aa2274 [0,1,0,1,0,0|2,0,0]=4 6207 B13R1.413 CCN(CCC(=O)N)C1CCCC1 9ee75bfade39d9140ce4852d871b9d82 [0,1,0,1,0,0|2,0,0]=4 6208 B13R1.413 CCN(CCC(=O)N)C1CCOC1 aa84fd33e94dfa6a0fab90e5670cc14e [0,1,0,1,0,0|2,0,0]=4 6209 B13R1.413 O=C(O)CNC(CO)C1CCCC1 fff0fc55b095df168ce9cfe2f20cade1 [0,1,0,1,0,0|2,0,0]=4 6210 B13R1.413 O=C(O)CNC(CO)C1CCOC1 49af6c6823ed95f40a80eccf8580c635 [0,1,0,1,0,0|2,0,0]=4 6211 B13R1.413 O=C(O)CN[C@@H](CO)C1CCCC1 8be58d6b090c336dbf0ce9133f4d9a5f [0,1,0,1,0,0|2,0,0]=4 6212 B13R1.413 O=C(O)CN[C@H](CO)C1CCCC1 31501aaf6f6e28c87006b4ed24933a2b [0,1,0,1,0,0|2,0,0]=4 6213 B13R1.451 CC(CCO)N1CCC(C1)C(=O)O 04d54af6fde0e4286fd7e7952b49c0b5 [0,1,0,1,0,0|2,0,0]=4 6214 B13R1.451 CC(CCO)N1CC[C@@H](C1)C(=O)O 2db51525894d05dd1460073ff6859497 [0,1,0,1,0,0|2,0,0]=4 6215 B13R1.451 CC(CCO)N1CC[C@H](C1)C(=O)O dfd51b8f23bd385775c4cd3427cca283 [0,1,0,1,0,0|2,0,0]=4 6216 B13R1.451 CCCC(C)N1CCC(C1)C(=O)C 14519e5f09b61470625c37dd39e4f81a [0,1,0,1,0,0|2,0,0]=4 6217 B13R1.451 CCCC(C)N1CCC(C1)C(=O)N bb31cd984c0fca78539a4dab2c8adade [0,1,0,1,0,0|2,0,0]=4 6218 B13R1.451 CCCC(C)N1CCC(C1)C(=O)O f5dea5f6c87a83361bdacc934833c2f1 [0,1,0,1,0,0|1,0,0]=3 6219 B13R1.451 CCCC(C)N1CC[C@@H](C1)C(=O)N 153b437167a7b1d2f335743d91afb30c [0,1,0,1,0,0|2,0,0]=4 6220 B13R1.451 CCCC(C)N1CC[C@@H](C1)C(=O)O 0b0f56dd72b01ee938bfbc9bbaba3111 [0,1,0,1,0,0|1,0,0]=3 6221 B13R1.451 CCCC(C)N1CC[C@H](C1)C(=O)N f98811c22f1e72d6bff916a49a0b7c11 [0,1,0,1,0,0|2,0,0]=4 6222 B13R1.451 CCCC(C)N1CC[C@H](C1)C(=O)O 203328efe72d873c213dfb47e4737c07 [0,1,0,1,0,0|1,0,0]=3 6223 B13R1.451 CCCN(C)C1CCC(C1)C(=O)O 5480e34aaf6477889a1c3655cf2cc274 [0,1,0,1,0,0|1,0,0]=3 6224 B13R1.451 CN(CCF)C1CCC(C1)C(=O)O 19d6a28e44874220192a30b08d76af7d [0,1,0,1,0,0|2,0,0]=4 6225 B13R1.451 CN(CCO)C1CCC(C1)C(=O)O ab0d876029ca22de862e5c90ba6a7a6d [0,1,0,1,0,0|2,0,0]=4 6226 B13R1.451 COCC(C)N1CCC(C1)C(=O)O 2bc1bf65f37cb4ff25d0d8036f3b0e6d [0,1,0,1,0,0|2,0,0]=4 6227 B13R1.451 COCC(C)N1CC[C@@H](C1)C(=O)O 175af53821481a3e3e38187d9eaf51d5 [0,1,0,1,0,0|2,0,0]=4 6228 B13R1.451 COCC(C)N1CC[C@H](C1)C(=O)O 272f746c22e74cf4a9a750ef4bcfa9d1 [0,1,0,1,0,0|2,0,0]=4 6229 B13R1.1404 CCN(CCC(=O)C)C(C)C1CC1 ad23ed81f4d52eaf66ccd37eb0913de4 [0,1,0,1,0,0|2,0,0]=4 6230 B13R1.1404 CCN(CCC(=O)N)C(C)C1CC1 8dd47c7ba57bbdd6820afdfa50eea7d1 [0,1,0,1,0,0|2,0,0]=4 6231 B13R1.1412 CCN(CCC(=O)O)C1CS(=O)C1 95ee071b7578bc06d59ad81920734682 [0,1,0,1,0,0|2,0,0]=4 6232 B13R1.1463 CCCC(C)N1CCNC(=O)CC1 36988aebbb53703f2ae0069baecff1d2 [0,1,0,1,0,0|2,0,0]=4 6233 B13R1.1470 CC(CCO)N1CC(C1C)C(=O)O 423c9066bcbd39f05e145c8526258f8f [0,1,0,1,0,0|2,0,0]=4 6234 B13R1.1470 CC(CCO)N1C[C@H]([C@@H]1C)C(=O)O 3761d5c5f63518ebd0cfe7c9e0e38f99 [0,1,0,1,0,0|2,0,0]=4 6235 B13R1.1470 CCCC(C)N1CC(C1C)C(=O)O 2550fb5fed6ba4d2bd92ba39b7566a3f [0,1,0,1,0,0|1,0,0]=3 6236 B13R1.1470 CCCC(C)N1C[C@H]([C@@H]1C)C(=O)O 8bea0caddc81896eb0a5d0315a1706be [0,1,0,1,0,0|1,0,0]=3 6237 B13R1.1470 COCC(C)N1CC(C1C)C(=O)O 00e6023e6ae08a99071afb72ef5540ad [0,1,0,1,0,0|2,0,0]=4 6238 B13R1.1470 COCC(C)N1C[C@H]([C@@H]1C)C(=O)O 518d385c0fc7801d51ca673ac0e113a6 [0,1,0,1,0,0|2,0,0]=4 6239 B13R1.1518 CC(CCO)N1CCC1CC(=O)O 1a1c46193ce645a8131cf01ff5c83eaf [0,1,0,1,0,0|2,0,0]=4 6240 B13R1.1518 CCCC(C)N1CCC1CC(=O)O 01f64d6aa92ed34dcf0ead5a69a346de [0,1,0,1,0,0|1,0,0]=3 6241 B13R1.1518 COCC(C)N1CCC1CC(=O)O 102e90f0bae9d882dc91e96629194bb6 [0,1,0,1,0,0|2,0,0]=4 6242 B13R1.3044 CC(=O)CCN1CCC(C1C)CO 58aabf9df32fb6f9742672a562febc92 [0,1,0,1,0,0|2,0,0]=4 6243 B13R1.3044 CC(=O)CCN1CC[C@@H]([C@@H]1C)CO 4012ba75e243bfd4ce9403fc233751f0 [0,1,0,1,0,0|2,0,0]=4 6244 B13R1.3044 CC(=O)CCN1CC[C@H]([C@@H]1C)CO 986183fc91914b3fb85ac36cdf900469 [0,1,0,1,0,0|2,0,0]=4 6245 B13R1.3044 CC1C(CCN1CCC(=O)N)CO ac2df9b8e226a0d70a370a42220a8b7b [0,1,0,1,0,0|2,0,0]=4 6246 B13R1.3044 CC1C(CCN1CCC(=O)O)CO eb6c2cba75360e3675d96d50b3f7af8f [0,1,0,1,0,0|1,0,0]=3 6247 B13R1.3044 C[C@H]1[C@@H](CCN1CCC(=O)N)CO a6c866da40dd467aed85ccda7799003b [0,1,0,1,0,0|2,0,0]=4 6248 B13R1.3044 C[C@H]1[C@@H](CCN1CCC(=O)O)CO fd786cbdc57cac59dd0cfd1950b3a09c [0,1,0,1,0,0|1,0,0]=3 6249 B13R1.3044 C[C@H]1[C@H](CCN1CCC(=O)N)CO fa83ad35519cee24c55d7130a8886c43 [0,1,0,1,0,0|2,0,0]=4 6250 B13R1.3044 C[C@H]1[C@H](CCN1CCC(=O)O)CO ef57712096c94ed14fa44477b5ba1e47 [0,1,0,1,0,0|1,0,0]=3 6251 B13R1.3787 CC(=O)CCN1C(CCCC1C)C fe27175243a46166fb42b3b4cf097a0e [0,1,0,1,0,0|2,0,0]=4 6252 B13R1.3787 CC(=O)CCN1[C@@H](CCC[C@@H]1C)C 6649b4b33f5305a634440c95b05255fa [0,1,0,1,0,0|2,0,0]=4 6253 B13R1.3787 CC(=O)CCN1[C@@H](CCC[C@H]1C)C 99d7981cf184dde95749befc82c1f0ac [0,1,0,1,0,0|2,0,0]=4 6254 B13R1.3787 CC(=O)CCN1[C@H](CCC[C@@H]1C)C 4dc7c5b496a256e00e2d57fa59c46fab [0,1,0,1,0,0|2,0,0]=4 6255 B13R1.3787 CC1CCCC(C1OCC(=O)N)C 117062ce525d956c92f00eb4df19c395 [0,1,0,1,0,0|2,0,0]=4 6256 B13R1.3787 CC1CCCC(C1OCC(=O)O)C 3f522c783e29b5f3fa6b113cb04ef183 [0,1,0,1,0,0|1,0,0]=3 6257 B13R1.3787 CC1CCCC(N1CCC(=O)N)C 9b988d86212087e47627be37afa0dbe8 [0,1,0,1,0,0|2,0,0]=4 6258 B13R1.3787 CC1CCCC(N1CCC(=O)O)C 1b07bd4f0a4840b6eb52206f411e44b4 [0,1,0,1,0,0|1,0,0]=3 6259 B13R1.3787 CC1COCC(N1CCC(=O)O)C 87ef557fd362c66c8ea3c61ffc271d23 [0,1,0,1,0,0|2,0,0]=4 6260 B13R1.3787 C[C@@H]1CCC[C@@H](N1CCC(=O)N)C 414438bef27819aaedcc7d7e348f2326 [0,1,0,1,0,0|2,0,0]=4 6261 B13R1.3787 C[C@@H]1CCC[C@@H](N1CCC(=O)O)C d0c8165b1a604a2119ce8843831dd2a6 [0,1,0,1,0,0|1,0,0]=3 6262 B13R1.3787 C[C@@H]1CCC[C@H](N1CCC(=O)N)C 2f36d88d624973f06bae09faaf1b7e2c [0,1,0,1,0,0|2,0,0]=4 6263 B13R1.3787 C[C@@H]1CCC[C@H](N1CCC(=O)O)C 9828d1200d5ee62f08b3de331a1f67ce [0,1,0,1,0,0|1,0,0]=3 6264 B13R1.3787 C[C@@H]1COC[C@@H](N1CCC(=O)O)C 5b73d63f9758e9a3511a431ef5671c76 [0,1,0,1,0,0|2,0,0]=4 6265 B13R1.3787 C[C@@H]1COC[C@H](N1CCC(=O)O)C d28745470e36dcda52ee2a8e782c4616 [0,1,0,1,0,0|2,0,0]=4 6266 B13R1.3787 C[C@H]1CCC[C@@H](N1CCC(=O)N)C 096a199052827d76a85a975470c71870 [0,1,0,1,0,0|2,0,0]=4 6267 B13R1.3787 C[C@H]1CCC[C@@H](N1CCC(=O)O)C ff8915711aa9348aaf44189c518c526e [0,1,0,1,0,0|1,0,0]=3 6268 B13R1.3787 C[C@H]1COC[C@@H](N1CCC(=O)O)C 12f9c47db7648eb8382212c5d5b7c775 [0,1,0,1,0,0|2,0,0]=4 6269 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 6270 B13R1.3 C#CC1CCC(CC1)NCC(=O)O c9e0b0a33bcada582ddf759ad39498f0 [0,1,0,1,0,0|1,0,1]=4 6271 B13R1.3 C#C[C@H]1CC[C@@H](CC1)OCC(=O)O 7f5a5531e4b749dcabd9e6ef61a11402 [0,1,0,1,0,0|1,0,1]=4 6272 B13R1.3 CC(=O)CCN1CCC(CC1)CF 7fb8509891e8396463fcd1d89ba321c9 [0,1,0,1,0,0|2,0,0]=4 6273 B13R1.3 CC(=O)CCN1CCC(CC1)CO cce3b2c3778c09fda18118129a56a56e [0,1,0,1,0,0|2,0,0]=4 6274 B13R1.3 CC(=O)CNC1CCC(CC1)CO 08ea87768514c31244e98be579ffda21 [0,1,0,1,0,0|2,0,0]=4 6275 B13R1.3 CC(=O)NCC1CCC(CC1)CO 9adf50537675eb530af9cd7efb208a0a [0,1,0,1,0,0|2,0,0]=4 6276 B13R1.3 CC(=O)NC[C@H]1CC[C@@H](CC1)CO 97318ac38a14dc33f188d96bc39b17ae [0,1,0,1,0,0|2,0,0]=4 6277 B13R1.3 CCC1CCC(CC1)NCC(=O)N 4a9c742cc45f21d81a492cc0aeed5ee1 [0,1,0,1,0,0|2,0,0]=4 6278 B13R1.3 CCC1CCC(CC1)NCC(=O)O 1ee2df764ad75b76dd11c237dae27e17 [0,1,0,1,0,0|1,0,0]=3 6279 B13R1.3 CCC1CCC(CC1)OCC(=O)N d097ab5f55e3c976318fe80793541a7d [0,1,0,1,0,0|2,0,0]=4 6280 B13R1.3 CCC1CCC(CC1)OCC(=O)O 579926350d7682d38404d1e451320cda [0,1,0,1,0,0|1,0,0]=3 6281 B13R1.3 CCC1CCN(CC1)CCC(=O)C 93e05575680df48ee45467e2cfc9c04c [0,1,0,1,0,0|2,0,0]=4 6282 B13R1.3 CCC1CCN(CC1)CCC(=O)N 185a5c5a6a55f21e0c6008b8dd82a07c [0,1,0,1,0,0|2,0,0]=4 6283 B13R1.3 CCC1CCN(CC1)CCC(=O)O 7b7c5df90262d39548e0c901a044e6b8 [0,1,0,1,0,0|1,0,0]=3 6284 B13R1.3 CCN1CCC(CC1)CCC(=O)N 2bd3805b7ecf93f80fcba1456351d7da [0,1,0,1,0,0|1,0,0]=3 6285 B13R1.3 CCN1CCC(CC1)CCC(=O)O 2aa00186c36587938085542680a8f54a [0,1,0,1,0,0|0,0,0]=2 6286 B13R1.3 CCN1CCC(CC1)CNC(=O)C 7e9c89a205dfbef540a1f5d6827f6587 [0,1,0,1,0,0|2,0,0]=4 6287 B13R1.3 CCN1CCC(CC1)COC(=O)C df09ffa0348b269dea4d5170e049fb49 [0,1,0,1,0,0|2,0,0]=4 6288 B13R1.3 CCN1CCC(CC1)NCC(=O)N f04e7c7643c7c95ec2817cc7508ceb49 [0,1,0,1,0,0|2,0,0]=4 6289 B13R1.3 CCN1CCC(CC1)NCC(=O)O 524391dd159d085b75e9c47a28a66f53 [0,1,0,1,0,0|1,0,0]=3 6290 B13R1.3 CCN1CCC(CC1)OCC(=O)N f0d3368b545e03b003b14b3ded655205 [0,1,0,1,0,0|2,0,0]=4 6291 B13R1.3 CCN1CCC(CC1)OCC(=O)O 99accedc4b0c2df836d44b8d43d34f63 [0,1,0,1,0,0|1,0,0]=3 6292 B13R1.3 CCN1CCN(CC1)CCC(=O)C 7067f8d33f25642ab006c173cfef5079 [0,1,0,1,0,0|2,0,0]=4 6293 B13R1.3 CCN1CCN(CC1)CCC(=O)N 7d10972f85f04ee8990d9eb5149283b8 [0,1,0,1,0,0|2,0,0]=4 6294 B13R1.3 CCN1CCN(CC1)CCC(=O)O e6e05bb60fd77214fcf7bd110840141e [0,1,0,1,0,0|1,0,0]=3 6295 B13R1.3 CC[C@H]1CC[C@@H](CC1)OCC(=O)N 838b341c7ad5a05a8f3dec5076b80d4d [0,1,0,1,0,0|2,0,0]=4 6296 B13R1.3 CC[C@H]1CC[C@@H](CC1)OCC(=O)O c5c9a3caf3a664120d00efbc14fc6e08 [0,1,0,1,0,0|1,0,0]=3 6297 B13R1.3 CC[C@H]1CC[C@H](CC1)OCC(=O)N 3000fcf039002b675eaec42f8b92a7a5 [0,1,0,1,0,0|2,0,0]=4 6298 B13R1.3 CC[C@H]1CC[C@H](CC1)OCC(=O)O 3a5113a8de11639d3ee18f39601f53a5 [0,1,0,1,0,0|1,0,0]=3 6299 B13R1.3 COC1CCC(CC1)NCC(=O)N 66df17fd57598395ea6c86ebe384efd2 [0,1,0,1,0,0|2,0,0]=4 6300 B13R1.3 COC1CCC(CC1)NCC(=O)O 443e0b538c232e4f4b57d0f2e541190b [0,1,0,1,0,0|1,0,0]=3 6301 B13R1.3 COC1CCC(CC1)OCC(=O)N dc8f932ac59df1ac53adad832588b449 [0,1,0,1,0,0|2,0,0]=4 6302 B13R1.3 COC1CCC(CC1)OCC(=O)O f4ffac8c4f93d6c99e9dccd7bbcfa72d [0,1,0,1,0,0|1,0,0]=3 6303 B13R1.3 COC1CCN(CC1)CCC(=O)C 2f9d0208e1db6ad3a6d6674541516121 [0,1,0,1,0,0|2,0,0]=4 6304 B13R1.3 COC1CCN(CC1)CCC(=O)N f9815ad3f4bca15f1406e72e29929adc [0,1,0,1,0,0|2,0,0]=4 6305 B13R1.3 COC1CCN(CC1)CCC(=O)O 365df201f5c6178b14f776eb92b1a435 [0,1,0,1,0,0|1,0,0]=3 6306 B13R1.3 CON1CCC(CC1)NCC(=O)O 20af9d025975244a60af509930a61e87 [0,1,0,1,0,0|2,0,0]=4 6307 B13R1.3 CON1CCN(CC1)CCC(=O)O e8ee42824ac3b05c5ff10f04b2f47aee [0,1,0,1,0,0|2,0,0]=4 6308 B13R1.3 CO[C@H]1CC[C@@H](CC1)NCC(=O)N 9ebdc17c5e89f251cf4d8c3a696ab02d [0,1,0,1,0,0|2,0,0]=4 6309 B13R1.3 CO[C@H]1CC[C@@H](CC1)NCC(=O)O bb0652a0c2405f9065ddfdbce1c24ea9 [0,1,0,1,0,0|1,0,0]=3 6310 B13R1.3 CO[C@H]1CC[C@@H](CC1)OCC(=O)N debe7813a2f6d8d4e4afebff9b39164f [0,1,0,1,0,0|2,0,0]=4 6311 B13R1.3 CO[C@H]1CC[C@@H](CC1)OCC(=O)O d3d1314032ae6fbb134b57c6cba335df [0,1,0,1,0,0|1,0,0]=3 6312 B13R1.3 CO[C@H]1CC[C@H](CC1)NCC(=O)N dd50238e0a5a18f31991fe84c2e8581e [0,1,0,1,0,0|2,0,0]=4 6313 B13R1.3 CO[C@H]1CC[C@H](CC1)NCC(=O)O 95abf16d5b7085dc80e16c02e37a0660 [0,1,0,1,0,0|1,0,0]=3 6314 B13R1.3 CO[C@H]1CC[C@H](CC1)OCC(=O)N 5a55929e03e7df4ef690382818e0b913 [0,1,0,1,0,0|2,0,0]=4 6315 B13R1.3 CO[C@H]1CC[C@H](CC1)OCC(=O)O 6d46eeabd5ac74b06d1bd54784260d67 [0,1,0,1,0,0|1,0,0]=3 6316 B13R1.3 CSC1CCN(CC1)CCC(=O)C 77d6ef44fe8efd9280e353838e701396 [0,1,0,1,0,0|2,0,0]=4 6317 B13R1.3 CSC1CCN(CC1)CCC(=O)N 1c66f9392e0aa9eb3a6f055860f60584 [0,1,0,1,0,0|2,0,0]=4 6318 B13R1.3 CSC1CCN(CC1)CCC(=O)O e47d340cb770354f5e5a745d9a2f3212 [0,1,0,1,0,0|1,0,0]=3 6319 B13R1.3 N#CC1CCC(CC1)NCC(=O)O a35d7ad8e68aa83a0d6edc245c34163d [0,1,0,1,0,0|1,0,1]=4 6320 B13R1.3 N#CC1CCC(CC1)OCC(=O)O 2665ebbd3ab0b1236a11a2e689a6f32c [0,1,0,1,0,0|1,0,1]=4 6321 B13R1.3 N#CC1CCN(CC1)CCC(=O)O 81e308617ea49607246268b72db2e5fc [0,1,0,1,0,0|1,0,1]=4 6322 B13R1.3 N#C[C@H]1CC[C@@H](CC1)NCC(=O)O 138c6f9060097037f907ff308d3a836b [0,1,0,1,0,0|1,0,1]=4 6323 B13R1.3 N#C[C@H]1CC[C@@H](CC1)OCC(=O)O 9fe89dbdf8e2ce7b458954c08ae624e1 [0,1,0,1,0,0|1,0,1]=4 6324 B13R1.3 NC(=O)CCC1CCN(CC1)CF dfc8d9aec235f6d8dbf1e4614ba48989 [0,1,0,1,0,0|2,0,0]=4 6325 B13R1.3 NC(=O)CCC1CCN(CC1)CO d3661d6af3cab3126c43c706d613d864 [0,1,0,1,0,0|2,0,0]=4 6326 B13R1.3 NC(=O)CCN1CCC(CC1)CF 2c616984eb2ea5999c39c7db15caf2e3 [0,1,0,1,0,0|2,0,0]=4 6327 B13R1.3 NC(=O)CCN1CCC(CC1)CO f6a2f84e7620a9347d77960597ad4be4 [0,1,0,1,0,0|2,0,0]=4 6328 B13R1.3 NC(=O)CNC1CCC(CC1)CO 5d33f9dd355786933c2cf56abf0ada2c [0,1,0,1,0,0|2,0,0]=4 6329 B13R1.3 NC(=O)CN[C@H]1CC[C@@H](CC1)CO 8df78284e8603c956e88b06d89678b23 [0,1,0,1,0,0|2,0,0]=4 6330 B13R1.3 NC(=O)CN[C@H]1CC[C@H](CC1)CO a5c3731c232d5bc832277cd671a4d5cb [0,1,0,1,0,0|2,0,0]=4 6331 B13R1.3 O=C(O)CCC1CCN(CC1)CF 3b158e32be05568394c4eecade087915 [0,1,0,1,0,0|1,0,0]=3 6332 B13R1.3 O=C(O)CCC1CCN(CC1)CO d79f110b70e0037171bc05f362984a87 [0,1,0,1,0,0|1,0,0]=3 6333 B13R1.3 O=C(O)CCN1CCC(CC1)CF 468f41d297b3373e5e9db3c88553c54a [0,1,0,1,0,0|1,0,0]=3 6334 B13R1.3 O=C(O)CCN1CCC(CC1)CO 24c69f483c69becdc9ef418529156bd6 [0,1,0,1,0,0|1,0,0]=3 6335 B13R1.3 O=C(O)CCN1CCN(CC1)CF 0e005a0051956159ce69dfba0e485af3 [0,1,0,1,0,0|2,0,0]=4 6336 B13R1.3 O=C(O)CCN1CCN(CC1)CO ace2edbdae0ce3c0bf91b73c87b22905 [0,1,0,1,0,0|2,0,0]=4 6337 B13R1.3 O=C(O)CNC1CCC(CC1)CO 102ae01d873a845b25c45eda7746e7a7 [0,1,0,1,0,0|1,0,0]=3 6338 B13R1.3 O=C(O)CN[C@H]1CC[C@@H](CC1)CO 8f38fc05550626d0002d8b7fac98cae3 [0,1,0,1,0,0|1,0,0]=3 6339 B13R1.3 O=C(O)CN[C@H]1CC[C@H](CC1)CO 9c058c3cb2d9f5277414a1f4b3c88dbb [0,1,0,1,0,0|1,0,0]=3 6340 B13R1.3 O=CC1CCC(CC1)NCC(=O)O 402f10eed991df76567f90ed7d9e1e15 [0,1,0,1,0,0|1,0,1]=4 6341 B13R1.3 O=CC1CCC(CC1)OCC(=O)O 68aeaf8d656bcf2c8c89902187426eb6 [0,1,0,1,0,0|1,0,1]=4 6342 B13R1.3 O=CC1CCN(CC1)CCC(=O)O 289e43ac4ca36181895f5267fac23c8a [0,1,0,1,0,0|1,0,1]=4 6343 B13R1.3 O=C[C@H]1CC[C@@H](CC1)OCC(=O)O 7ef13255a2d60d32d74f66d43a579ca3 [0,1,0,1,0,0|1,0,1]=4 6344 B13R1.3 O=C[C@H]1CC[C@H](CC1)OCC(=O)O 3a2f5214000629f8255991f55efd35df [0,1,0,1,0,0|1,0,1]=4 6345 B13R1.150 CC(=O)CCN1CCCC(C1C)O 494411ff193d93ff31c0fbf16ab2baa8 [0,1,0,1,0,0|2,0,0]=4 6346 B13R1.150 CC(=O)CCN1CCC[C@@H]([C@H]1C)O 27d3233f4418d5fbdb9dce892534d43b [0,1,0,1,0,0|2,0,0]=4 6347 B13R1.150 CC(=O)CCN1CCC[C@H]([C@@H]1C)O a8cfb58e7a685c237102d86001d96bff [0,1,0,1,0,0|2,0,0]=4 6348 B13R1.150 CC(=O)CCN1CCOC(C1C)C 53b1bae97792acee57ada4d6ec933326 [0,1,0,1,0,0|2,0,0]=4 6349 B13R1.150 CC1C(CCCN1CCC(=O)N)O cf52808a18710b38f6d79ab30315096c [0,1,0,1,0,0|2,0,0]=4 6350 B13R1.150 CC1C(CCCN1CCC(=O)O)O a0f6d8eb5396973c743973274f15fc19 [0,1,0,1,0,0|1,0,0]=3 6351 B13R1.150 CC1CCCC(C1C)NCC(=O)N 6f86a25f48adc186ad54f8ca17c22ae4 [0,1,0,1,0,0|2,0,0]=4 6352 B13R1.150 CC1CCCC(C1C)NCC(=O)O 6660263c201ab8f9649cad01c6b28b8a [0,1,0,1,0,0|1,0,0]=3 6353 B13R1.150 CC1CCCC(C1C)OCC(=O)N e428ab3a79cf5f81164db6385776bad8 [0,1,0,1,0,0|2,0,0]=4 6354 B13R1.150 CC1CCCC(C1C)OCC(=O)O 9b4f0855c498ae276f200a7ade134324 [0,1,0,1,0,0|1,0,0]=3 6355 B13R1.150 CC1OCCN(C1C)CCC(=O)N 3303b9e946f0e4b8a6cb0d33a2ace110 [0,1,0,1,0,0|2,0,0]=4 6356 B13R1.150 CC1OCCN(C1C)CCC(=O)O a2c8c2967351c034c2037a070b310422 [0,1,0,1,0,0|1,0,0]=3 6357 B13R1.150 C[C@@H]1[C@H](CCCN1CCC(=O)N)O a7bf3a5a6475cfb8f3e627093851a5ed [0,1,0,1,0,0|2,0,0]=4 6358 B13R1.150 C[C@@H]1[C@H](CCCN1CCC(=O)O)O 81c5e3bf8ed00f7c13c12fbccccc05b9 [0,1,0,1,0,0|1,0,0]=3 6359 B13R1.150 C[C@H]1[C@@H](CCCN1CCC(=O)N)O 0a640ec2f7fd7774af109b834295f6fd [0,1,0,1,0,0|2,0,0]=4 6360 B13R1.150 C[C@H]1[C@@H](CCCN1CCC(=O)O)O a7c1aca9e097a2291fac6de4af576a14 [0,1,0,1,0,0|1,0,0]=3 6361 B13R1.240 CC(=O)CCN1CCC(C1)CCO 717307fa1e50c06defe2bcfe8e268907 [0,1,0,1,0,0|2,0,0]=4 6362 B13R1.240 CCCC1CCN(C1)CCC(=O)C 33f58597b31561a2ed14954d2f9f8d72 [0,1,0,1,0,0|2,0,0]=4 6363 B13R1.240 CCCC1CCN(C1)CCC(=O)N 6e23bd44597b1eaf815350028f3aae6b [0,1,0,1,0,0|2,0,0]=4 6364 B13R1.240 CCCC1CCN(C1)CCC(=O)O ee652b74b8bf41d8c08fcc32673403f0 [0,1,0,1,0,0|1,0,0]=3 6365 B13R1.240 CCCN1CCC(C1)CNC(=O)C 4e05088a1b5b27101c7d82cdb5318976 [0,1,0,1,0,0|2,0,0]=4 6366 B13R1.240 CCCN1CCC(C1)COC(=O)C 2cd5d7205667003494b5b9122346505d [0,1,0,1,0,0|2,0,0]=4 6367 B13R1.240 CCCN1CCC(C1)NCC(=O)N a0031bc4886f87ae13b6c7292261e05b [0,1,0,1,0,0|2,0,0]=4 6368 B13R1.240 CCCN1CCC(C1)NCC(=O)O 5e6f92ffc95af62ee495c295201cedeb [0,1,0,1,0,0|1,0,0]=3 6369 B13R1.240 CCO[C@@H]1CCN(C1)CCC(=O)C a8368e71679729304eb9160fb60ac81a [0,1,0,1,0,0|2,0,0]=4 6370 B13R1.240 CCO[C@@H]1CCN(C1)CCC(=O)N ca88b6f4adad1f04c42d7bb18d7a5064 [0,1,0,1,0,0|2,0,0]=4 6371 B13R1.240 CCO[C@@H]1CCN(C1)CCC(=O)O cec364c0165289c06ceed96ea2e2a318 [0,1,0,1,0,0|1,0,0]=3 6372 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)C 5953ff5283e2b9dcb2d852b8ec58c01a [0,1,0,1,0,0|2,0,0]=4 6373 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)N 4754ea2e6ed59853f58f98ffa1fe5743 [0,1,0,1,0,0|2,0,0]=4 6374 B13R1.240 CCO[C@H]1CCN(C1)CCC(=O)O 36aa61647cc8d09b4c0dc29356b780ca [0,1,0,1,0,0|1,0,0]=3 6375 B13R1.240 COCC1CCN(C1)CCC(=O)C 099529dad5b2cfa1e8fd3016c23cb43e [0,1,0,1,0,0|2,0,0]=4 6376 B13R1.240 COCC1CCN(C1)CCC(=O)N 8843741fb8896643968d985b3cc476d1 [0,1,0,1,0,0|2,0,0]=4 6377 B13R1.240 COCC1CCN(C1)CCC(=O)O e781296b5f1fd10120f6c61d17d722e5 [0,1,0,1,0,0|1,0,0]=3 6378 B13R1.240 COC[C@@H]1CCN(C1)CCC(=O)C a2c19492560c0723527759c66a1eac15 [0,1,0,1,0,0|2,0,0]=4 6379 B13R1.240 COC[C@@H]1CCN(C1)CCC(=O)N 50322441dddff18d34deffae641dc04c [0,1,0,1,0,0|2,0,0]=4 6380 B13R1.240 COC[C@@H]1CCN(C1)CCC(=O)O f18a3c0262d5df83fe2dade11a0b370f [0,1,0,1,0,0|1,0,0]=3 6381 B13R1.240 COC[C@H]1CCN(C1)CCC(=O)C 0a6a5fe2e74fdaf2928e1e9f1acbf1a2 [0,1,0,1,0,0|2,0,0]=4 6382 B13R1.240 COC[C@H]1CCN(C1)CCC(=O)N 565f4abe593cb90b471ededc1697dd1b [0,1,0,1,0,0|2,0,0]=4 6383 B13R1.240 COC[C@H]1CCN(C1)CCC(=O)O bca68d1d08c680f8524b0384a2961564 [0,1,0,1,0,0|1,0,0]=3 6384 B13R1.240 N#CCC1CCN(C1)CCC(=O)O b788ac8ae640496fa1862cf9ecacd737 [0,1,0,1,0,0|1,0,1]=4 6385 B13R1.240 N#CC[C@@H]1CCN(C1)CCC(=O)O 9df6e1bff462201dfe2b7cda086caa07 [0,1,0,1,0,0|1,0,1]=4 6386 B13R1.240 N#CC[C@H]1CCN(C1)CCC(=O)O 0c6bd0028a9887dd9f75dda4f0d65750 [0,1,0,1,0,0|1,0,1]=4 6387 B13R1.240 NC(=O)CCN1CCC(C1)CCO 71014e20581526735c6df2431827d098 [0,1,0,1,0,0|2,0,0]=4 6388 B13R1.240 O=C(O)CCN1CCC(C1)CCO ed95cd75c3b8a5a96d7b9026701fc839 [0,1,0,1,0,0|1,0,0]=3 6389 B13R1.240 O=C(O)CN[C@@H]1CCN(C1)CCF 2ba15180c9a7f781cafbd5adc93c3acf [0,1,0,1,0,0|2,0,0]=4 6390 B13R1.369 CC1CC(=O)CCC1OCCCF b890b26a7293770908a10b2b997bdf06 [0,1,0,1,0,0|2,0,0]=4 6391 B13R1.369 CC1CC(=O)CCC1OCCCS 3654d48ccd9f9fd6c5c9da5a01f30b63 [0,1,0,1,0,0|2,0,0]=4 6392 B13R1.369 CC1NC(=O)CCC1OCCCF d5ac1f67896b89ba76130b288b1d41fd [0,1,0,1,0,0|2,0,0]=4 6393 B13R1.369 CC1NC(=O)CCC1OCCCS afc9f9836feaa743c0a1d8a222f9992c [0,1,0,1,0,0|2,0,0]=4 6394 B13R1.369 CCCCOC1CCC(=O)CC1C 32a90390edfb6b739b80d6e961bbf079 [0,1,0,1,0,0|1,0,0]=3 6395 B13R1.369 CCCCOC1CCC(=O)NC1C 586e09bf24c46dcf8422a490f5c3b21c [0,1,0,1,0,0|1,0,0]=3 6396 B13R1.369 COCCOC1CCC(=O)CC1C 2d264f37483ba66f30e52e5f85db2931 [0,1,0,1,0,0|2,0,0]=4 6397 B13R1.369 COCCOC1CCC(=O)NC1C ecac23456e428936e33b225e03bde3cb [0,1,0,1,0,0|2,0,0]=4 6398 B13R1.369 CSCCOC1CCC(=O)CC1C 2e6f2338e02687faa7116b8f94947d9c [0,1,0,1,0,0|2,0,0]=4 6399 B13R1.369 CSCCOC1CCC(=O)NC1C 078f9622a4bbfead9a3b03e0624ce930 [0,1,0,1,0,0|2,0,0]=4 6400 B13R1.370 CCCCNC1CCC(CC1)(C)O 69f403d2f6b41b168417f5479ebc1376 [0,1,0,1,0,0|1,0,1]=4 6401 B13R1.370 CCCCNC1CCS(=O)(=O)CC1 cf3ca48177d00d1d2b33aabecc01dab0 [0,1,0,1,0,0|1,0,1]=4 6402 B13R1.370 CCCCN[C@H]1CC[C@@](CC1)(C)O 164587a621a04cad543535c353d7d3ec [0,1,0,1,0,0|1,0,1]=4 6403 B13R1.370 CCCCN[C@H]1CC[C@](CC1)(C)O 1791d6fa292fb0d768209d0ac6634026 [0,1,0,1,0,0|1,0,1]=4 6404 B13R1.370 CCCCOC1CCS(=O)(=O)CC1 871ff37a895cd34f2e720db9288cea57 [0,1,0,1,0,0|1,0,1]=4 6405 B13R1.370 CCCNCC1CCC(CC1)(C)O 7668b473ba16442e7ab9e409fa260400 [0,1,0,1,0,0|1,0,1]=4 6406 B13R1.370 CCCNCC1CCS(=O)(=O)CC1 8154deae6018b2460bbc498bb4e03220 [0,1,0,1,0,0|1,0,1]=4 6407 B13R1.370 CCCNC[C@H]1CC[C@](CC1)(C)O 92aaba3bd6e847dd968f7777710a27c1 [0,1,0,1,0,0|1,0,1]=4 6408 B13R1.370 CCCOCC1CCS(=O)(=O)CC1 15ab99cd95a2c39ffd5c828a665ba2f6 [0,1,0,1,0,0|1,0,1]=4 6409 B13R1.370 CCNCCC1CCS(=O)(=O)CC1 38aa5c18f76e0df43f6ac696681454fa [0,1,0,1,0,0|1,0,1]=4 6410 B13R1.370 CCOCCC1CCS(=O)(=O)CC1 0cd09e44e7f43f9e18dea7703614c5b6 [0,1,0,1,0,0|1,0,1]=4 6411 B13R1.610 O=C(O)CN1CCCCCC1CO 2f3c1122a53e626873e1ea329c7c13a1 [0,1,0,1,0,0|2,0,0]=4 6412 B13R1.610 O=C(O)CN1CCCOCC1CO 78f796763223c8421d300d2ff93c808d [0,1,0,1,0,0|2,0,0]=4 6413 B13R1.610 O=C(O)CN1CCCOC[C@@H]1CO df1767dbe71758a28bf4790e8a813f0a [0,1,0,1,0,0|2,0,0]=4 6414 B13R1.610 O=C(O)CN1CCCOC[C@H]1CO b325a7907957b40399b52c4f71c2ae57 [0,1,0,1,0,0|2,0,0]=4 6415 B13R1.658 C#CCCCN1CCC(C1)C(=O)O ddd3bf8a60f54635c569a78a7a2b1429 [0,1,0,1,0,0|1,0,1]=4 6416 B13R1.658 C#CCCCN1CC[C@@H](C1)C(=O)O ca2e913a85325bb2c98d395e4707457d [0,1,0,1,0,0|1,0,1]=4 6417 B13R1.658 C#CCCCN1CC[C@H](C1)C(=O)O fcef99195fd4ccd1ff9e35bd118f7feb [0,1,0,1,0,0|1,0,1]=4 6418 B13R1.658 C#CCCNC1CCC(C1)C(=O)O bf2bd59109ccd5f730b5879ad024d645 [0,1,0,1,0,0|0,0,2]=4 6419 B13R1.658 C#CCCN[C@@H]1CC[C@@H](C1)C(=O)O 61ba4929c621a57ce9ca34a43648198a [0,1,0,1,0,0|0,0,2]=4 6420 B13R1.658 C#CCCN[C@@H]1CC[C@H](C1)C(=O)O a0942220b66a8dc8caee01c073cd5c4f [0,1,0,1,0,0|0,0,2]=4 6421 B13R1.658 C#CCCN[C@H]1CC[C@@H](C1)C(=O)O 22fd978edda657ece61cdfab583baa7b [0,1,0,1,0,0|0,0,2]=4 6422 B13R1.658 C#CCCN[C@H]1CC[C@H](C1)C(=O)O 246132ae03e03c8aba997d5bebba0525 [0,1,0,1,0,0|0,0,2]=4 6423 B13R1.658 C#CCCOC1CCC(C1)C(=O)O 2f387dbf8ac64ee69e1f0f0c7a96ba75 [0,1,0,1,0,0|0,0,2]=4 6424 B13R1.658 C#CCCO[C@@H]1CC[C@@H](C1)C(=O)O 6a06e951d21d5da9db217c331c6cc655 [0,1,0,1,0,0|0,0,2]=4 6425 B13R1.658 C#CCCO[C@@H]1CC[C@H](C1)C(=O)O 08b8a2ef49026a210a6c3e5939d3a13d [0,1,0,1,0,0|0,0,2]=4 6426 B13R1.658 C#CCCO[C@H]1CC[C@@H](C1)C(=O)O 5b5670ef6da13095f600c9669b2472d8 [0,1,0,1,0,0|0,0,2]=4 6427 B13R1.658 C#CCCO[C@H]1CC[C@H](C1)C(=O)O 425d0241e48c6390297dc9388d3e62bc [0,1,0,1,0,0|0,0,2]=4 6428 B13R1.658 C/C=C/CNC1CCC(C1)C(=O)O 8c245b80cddb9ca0e95527ce6f37e005 [0,1,0,1,0,0|0,0,2]=4 6429 B13R1.658 C/C=C/CN[C@@H]1CC[C@@H](C1)C(=O)O 31d2f4529b82133b847d41b5d0ff6e88 [0,1,0,1,0,0|0,0,2]=4 6430 B13R1.658 C/C=C/CN[C@@H]1CC[C@H](C1)C(=O)O 442415017c612e0f86d2008780baa0f6 [0,1,0,1,0,0|0,0,2]=4 6431 B13R1.658 C/C=C/CN[C@H]1CC[C@@H](C1)C(=O)O 0df3f2a04fbdce64ec7fc15ab3521a8c [0,1,0,1,0,0|0,0,2]=4 6432 B13R1.658 C/C=C/CN[C@H]1CC[C@H](C1)C(=O)O b5cf7a1a7c4d6d1f84dfc744d06a176d [0,1,0,1,0,0|0,0,2]=4 6433 B13R1.658 C/C=C/COC1CCC(C1)C(=O)O 728baadd2fef2a44109dd8bfac24c05c [0,1,0,1,0,0|0,0,2]=4 6434 B13R1.658 C/C=C/CO[C@@H]1CC[C@@H](C1)C(=O)O 529d8f8d9e20c699a2f40b104c4cd3da [0,1,0,1,0,0|0,0,2]=4 6435 B13R1.658 C/C=C/CO[C@@H]1CC[C@H](C1)C(=O)O 8ddc1ab867c9555f1fc9e5b6c4bb0fdd [0,1,0,1,0,0|0,0,2]=4 6436 B13R1.658 C/C=C/CO[C@H]1CC[C@@H](C1)C(=O)O f06af95fdea08416c2d4abfc14c42d49 [0,1,0,1,0,0|0,0,2]=4 6437 B13R1.658 C/C=C/CO[C@H]1CC[C@H](C1)C(=O)O 3129fbcf1594730170e472a6be8e9bd0 [0,1,0,1,0,0|0,0,2]=4 6438 B13R1.658 C/C=C\CNC1CCC(C1)C(=O)O 2865ab10ab518e58cd82e0f62edf3bde [0,1,0,1,0,0|0,0,2]=4 6439 B13R1.658 C/C=C\CN[C@@H]1CC[C@@H](C1)C(=O)O d4eaf3a906965e5943aa57493ce41fa4 [0,1,0,1,0,0|0,0,2]=4 6440 B13R1.658 C/C=C\CN[C@@H]1CC[C@H](C1)C(=O)O 520a1ba47ca8e880cc80217ae27d0061 [0,1,0,1,0,0|0,0,2]=4 6441 B13R1.658 C/C=C\CN[C@H]1CC[C@@H](C1)C(=O)O a4c873fd850c6174ee84e6c91b33432d [0,1,0,1,0,0|0,0,2]=4 6442 B13R1.658 C/C=C\CN[C@H]1CC[C@H](C1)C(=O)O 00c17ca8a69da89e0274c300d74b7fc1 [0,1,0,1,0,0|0,0,2]=4 6443 B13R1.658 C/C=C\COC1CCC(C1)C(=O)O 44c8d4375351d9fcb313e960071e655b [0,1,0,1,0,0|0,0,2]=4 6444 B13R1.658 C/C=C\CO[C@@H]1CC[C@@H](C1)C(=O)O eda57aa4476a204156460bbdd3540ab3 [0,1,0,1,0,0|0,0,2]=4 6445 B13R1.658 C/C=C\CO[C@@H]1CC[C@H](C1)C(=O)O 9319576096538f0d292d39a65a700755 [0,1,0,1,0,0|0,0,2]=4 6446 B13R1.658 C/C=C\CO[C@H]1CC[C@@H](C1)C(=O)O 2bf7966b92fa39d030dc795fec0321a6 [0,1,0,1,0,0|0,0,2]=4 6447 B13R1.658 C/C=C\CO[C@H]1CC[C@H](C1)C(=O)O c8c1382130cccb386aa9cc1394bf35d1 [0,1,0,1,0,0|0,0,2]=4 6448 B13R1.658 C=CCCCN1CCC(C1)C(=O)O db9848887048e403d2972271e31b5349 [0,1,0,1,0,0|1,0,1]=4 6449 B13R1.658 C=CCCCN1CC[C@@H](C1)C(=O)O 916fda36716eab85cf9527e4557aa1d0 [0,1,0,1,0,0|1,0,1]=4 6450 B13R1.658 C=CCCCN1CC[C@H](C1)C(=O)O 24ae12c829f86c50cc5213207508ee22 [0,1,0,1,0,0|1,0,1]=4 6451 B13R1.658 C=CCCNC1CCC(C1)C(=O)O a5842616c7882cf73d527e9dae4433d0 [0,1,0,1,0,0|0,0,2]=4 6452 B13R1.658 C=CCCN[C@@H]1CC[C@@H](C1)C(=O)O 1046bdbc44741076f456a5314377e1e1 [0,1,0,1,0,0|0,0,2]=4 6453 B13R1.658 C=CCCN[C@@H]1CC[C@H](C1)C(=O)O 17a07efe32cebe7b58b64cb9f17dc4e4 [0,1,0,1,0,0|0,0,2]=4 6454 B13R1.658 C=CCCN[C@H]1CC[C@@H](C1)C(=O)O 262e9cbbb909e06fd0cee7d19d21b4bb [0,1,0,1,0,0|0,0,2]=4 6455 B13R1.658 C=CCCN[C@H]1CC[C@H](C1)C(=O)O 508ef3e9ab1ddd7450662c6338f5e576 [0,1,0,1,0,0|0,0,2]=4 6456 B13R1.658 C=CCCOC1CCC(C1)C(=O)O 8b42b19423ab6d7bb7e944ba18259894 [0,1,0,1,0,0|0,0,2]=4 6457 B13R1.658 C=CCCO[C@@H]1CC[C@@H](C1)C(=O)O de8205d70567198b7757d88ffed67e7c [0,1,0,1,0,0|0,0,2]=4 6458 B13R1.658 C=CCCO[C@@H]1CC[C@H](C1)C(=O)O c101e91d86a2fefa8a86be4686c71c73 [0,1,0,1,0,0|0,0,2]=4 6459 B13R1.658 C=CCCO[C@H]1CC[C@@H](C1)C(=O)O fc040a56bcc20248de27cd187f03b3d2 [0,1,0,1,0,0|0,0,2]=4 6460 B13R1.658 C=CCCO[C@H]1CC[C@H](C1)C(=O)O 9f85fbb77efde73364c3a84fb6bfd37e [0,1,0,1,0,0|0,0,2]=4 6461 B13R1.658 CC#CCNC1CCC(C1)C(=O)O 55226fd8dc4d9d4c9e8308652626254d [0,1,0,1,0,0|0,0,2]=4 6462 B13R1.658 CC#CCOC1CCC(C1)C(=O)O 43054ed34998f574c46f4be547870e43 [0,1,0,1,0,0|0,0,2]=4 6463 B13R1.658 CC(=O)C1CCN(C1)CCCCF 68f94857d12480bdae8d1528a3c310a3 [0,1,0,1,0,0|2,0,0]=4 6464 B13R1.658 CC(=O)C1CCN(C1)CCCCO 97b5a2f92f4d311d1dc04903c240cca4 [0,1,0,1,0,0|2,0,0]=4 6465 B13R1.658 CC/C=C/CN1CCC(C1)C(=O)O 5717f3b5f5c1c892c2636c8c81667ad2 [0,1,0,1,0,0|1,0,1]=4 6466 B13R1.658 CC/C=C/CN1CC[C@@H](C1)C(=O)O 7887b4803dc24304a13eb64c7ceff315 [0,1,0,1,0,0|1,0,1]=4 6467 B13R1.658 CC/C=C/CN1CC[C@H](C1)C(=O)O f0f30bd461eaf781920f91cc43f51201 [0,1,0,1,0,0|1,0,1]=4 6468 B13R1.658 CC=CCNC1CCC(C1)C(=O)O c53570ea8deac62bf2e50110fcea9fc5 [0,1,0,1,0,0|0,0,2]=4 6469 B13R1.658 CC=CCOC1CCC(C1)C(=O)O d634c81832c45ba5c3487541387ac5bc [0,1,0,1,0,0|0,0,2]=4 6470 B13R1.658 CCCCCN1CCC(C1)C(=O)C ce779fe2a48db132873037b795dcd331 [0,1,0,1,0,0|2,0,0]=4 6471 B13R1.658 CCCCCN1CCC(C1)C(=O)N 5dd294b1cb747e27b3f5bac57893d1a4 [0,1,0,1,0,0|2,0,0]=4 6472 B13R1.658 CCCCCN1CCC(C1)C(=O)O f959ac60b2c526041d95f9c863039c38 [0,1,0,1,0,0|1,0,0]=3 6473 B13R1.658 CCCCCN1CC[C@@H](C1)C(=O)N 8b14a2bb627684f25525a27a9b39f97f [0,1,0,1,0,0|2,0,0]=4 6474 B13R1.658 CCCCCN1CC[C@@H](C1)C(=O)O 38db70d142491196e5862afaaf319d90 [0,1,0,1,0,0|1,0,0]=3 6475 B13R1.658 CCCCCN1CC[C@H](C1)C(=O)N d7de59cd73e5c63f25b7ae3c8abe61c6 [0,1,0,1,0,0|2,0,0]=4 6476 B13R1.658 CCCCCN1CC[C@H](C1)C(=O)O 3bf8dfa11a71b1a347c0d23dc09d1554 [0,1,0,1,0,0|1,0,0]=3 6477 B13R1.658 CCCCNC1C=CC(C1)C(=O)O b99b39b394634a52309d38d646066db7 [0,1,0,1,0,0|0,0,2]=4 6478 B13R1.658 CCCCNC1CCC(C1)C(=O)N 5eecccdb023d9104e732725824d758dd [0,1,0,1,0,0|1,0,0]=3 6479 B13R1.658 CCCCNC1CCC(C1)C(=O)O b820dea5db8dca15756d268f8b1ac29b [0,1,0,1,0,0|0,0,0]=2 6480 B13R1.658 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2fb50293453b08cb0d73990b0dd8c9f4 [0,1,0,1,0,0|1,0,1]=4 6573 B13R1.658 N#CCCCN1CC[C@H](C1)C(=O)O dfb9a59e8c0316c8c688f9aee6819a5b [0,1,0,1,0,0|1,0,1]=4 6574 B13R1.658 N#CCCNC1CCC(C1)C(=O)O e2326f6c97e39002416a009b1957a065 [0,1,0,1,0,0|1,0,1]=4 6575 B13R1.658 N#CCCN[C@@H]1CC[C@@H](C1)C(=O)O 4d0605cdd5a91e8cc6e9ff7f6411d31d [0,1,0,1,0,0|1,0,1]=4 6576 B13R1.658 N#CCCN[C@@H]1CC[C@H](C1)C(=O)O 8a8e39ae996a6ebbd5d2b26b9584cac7 [0,1,0,1,0,0|1,0,1]=4 6577 B13R1.658 N#CCCN[C@H]1CC[C@@H](C1)C(=O)O b0e65cd57594586bc628a68a037c1eef [0,1,0,1,0,0|1,0,1]=4 6578 B13R1.658 N#CCCN[C@H]1CC[C@H](C1)C(=O)O a0499574fa69878f5708640bdcda8b21 [0,1,0,1,0,0|1,0,1]=4 6579 B13R1.658 N#CCCOC1CCC(C1)C(=O)O b65b9baddba6d302cdd33ffb61f0b1ab [0,1,0,1,0,0|1,0,1]=4 6580 B13R1.658 N#CCCO[C@@H]1CC[C@@H](C1)C(=O)O d5d6fbd36f085d2b8a2c1cf77a279d7f [0,1,0,1,0,0|1,0,1]=4 6581 B13R1.658 N#CCCO[C@@H]1CC[C@H](C1)C(=O)O ef575cb8aaa2fed012fd7beb26990fcb [0,1,0,1,0,0|1,0,1]=4 6582 B13R1.658 N#CCCO[C@H]1CC[C@@H](C1)C(=O)O 9880e7f59ee402883431a6656ee57106 [0,1,0,1,0,0|1,0,1]=4 6583 B13R1.658 N#CCCO[C@H]1CC[C@H](C1)C(=O)O 09dd5875a7025fac158b2b5ddbaef895 [0,1,0,1,0,0|1,0,1]=4 6584 B13R1.658 NC(=O)C1CCC(C1)NCCCF 39ca2eae255099280be55ddef5ef3408 [0,1,0,1,0,0|2,0,0]=4 6585 B13R1.658 NC(=O)C1CCC(C1)NCCCO 7ae43f7d7fbe61731a80fcb7b1e0a551 [0,1,0,1,0,0|2,0,0]=4 6586 B13R1.658 NC(=O)C1CCC(C1)NCCCS 99a8c3b2cf5e0f3e45483df458ed8c70 [0,1,0,1,0,0|2,0,0]=4 6587 B13R1.658 NC(=O)C1CCN(C1)CCCCF 76a3d5cf37e69cac6ffd053e890461ff [0,1,0,1,0,0|2,0,0]=4 6588 B13R1.658 NC(=O)C1CCN(C1)CCCCO d037a6b60497d275d8280a0bc1d47573 [0,1,0,1,0,0|2,0,0]=4 6589 B13R1.658 NC(=O)[C@@H]1CCN(C1)CCCCF e0aa60f8e9fc008f242a30b9269bd4a2 [0,1,0,1,0,0|2,0,0]=4 6590 B13R1.658 NC(=O)[C@@H]1CCN(C1)CCCCO 7693db128cd0d4426182e5e48a08d49e [0,1,0,1,0,0|2,0,0]=4 6591 B13R1.658 NC(=O)[C@@H]1CC[C@@H](C1)NCCCF 808a97d4cf7e2bab131c56f9c3ceec84 [0,1,0,1,0,0|2,0,0]=4 6592 B13R1.658 NC(=O)[C@@H]1CC[C@@H](C1)NCCCO e60d090e20c5b334bcbff0aa420cee0f [0,1,0,1,0,0|2,0,0]=4 6593 B13R1.658 NC(=O)[C@@H]1CC[C@@H](C1)NCCCS aba8eefafbb944cac9fdd8e9df7ef87f [0,1,0,1,0,0|2,0,0]=4 6594 B13R1.658 NC(=O)[C@@H]1CC[C@H](C1)NCCCF 4ea3db69c14e56172c5f40064a4af63b [0,1,0,1,0,0|2,0,0]=4 6595 B13R1.658 NC(=O)[C@@H]1CC[C@H](C1)NCCCO ec3041b3561ad9daefdc09920c76cb70 [0,1,0,1,0,0|2,0,0]=4 6596 B13R1.658 NC(=O)[C@@H]1CC[C@H](C1)NCCCS c808ddd850b753b79187d3b57eeda528 [0,1,0,1,0,0|2,0,0]=4 6597 B13R1.658 NC(=O)[C@H]1CCN(C1)CCCCF 6764bdc6fc506753bca4244893ba4f9a [0,1,0,1,0,0|2,0,0]=4 6598 B13R1.658 NC(=O)[C@H]1CCN(C1)CCCCO 05de7f952de49c3fdd23462ae34cdb92 [0,1,0,1,0,0|2,0,0]=4 6599 B13R1.658 NC(=O)[C@H]1CC[C@@H](C1)NCCCF 6f926e44838eeec33e496df0c73b79bf [0,1,0,1,0,0|2,0,0]=4 6600 B13R1.658 NC(=O)[C@H]1CC[C@@H](C1)NCCCO 38680f69eb8a70a05a81c6dcdb9f7023 [0,1,0,1,0,0|2,0,0]=4 6601 B13R1.658 NC(=O)[C@H]1CC[C@@H](C1)NCCCS 2206228e9c9983848ac3a9671c5aad66 [0,1,0,1,0,0|2,0,0]=4 6602 B13R1.658 NC(=O)[C@H]1CC[C@H](C1)NCCCF 4b968901a2c9466deac2b5193f734843 [0,1,0,1,0,0|2,0,0]=4 6603 B13R1.658 NC(=O)[C@H]1CC[C@H](C1)NCCCO fa543a77eeea2fea2556b0cbe138c179 [0,1,0,1,0,0|2,0,0]=4 6604 B13R1.658 NC(=O)[C@H]1CC[C@H](C1)NCCCS 31a9b2e9808af077570b582ea368e20c [0,1,0,1,0,0|2,0,0]=4 6605 B13R1.658 NOCCNC1CCC(C1)C(=O)O 97796f43a45ce827fd9920072b0cd2a2 [0,1,0,1,0,0|2,0,0]=4 6606 B13R1.658 O=C(O)C1CCC(C1)NCCCCl 118f50466da57e1342d1e1b31727658b [0,1,0,1,0,0|1,0,0]=3 6607 B13R1.658 O=C(O)C1CCC(C1)NCCCF 21de190112fdd3c39c3ee46b6a9aa6f7 [0,1,0,1,0,0|1,0,0]=3 6608 B13R1.658 O=C(O)C1CCC(C1)NCCCO cd3227392f51f3ee398214746d83a9c0 [0,1,0,1,0,0|1,0,0]=3 6609 B13R1.658 O=C(O)C1CCC(C1)NCCCS 2c60fbad4bdcc4ccf26c541aba67f09e [0,1,0,1,0,0|1,0,0]=3 6610 B13R1.658 O=C(O)C1CCC(C1)OCCCF 8cc68b1fb8d0bec0a973f0862341f1c1 [0,1,0,1,0,0|1,0,0]=3 6611 B13R1.658 O=C(O)C1CCC(C1)OCCCS 2a63a84414c926483cc92ad36a84f9d8 [0,1,0,1,0,0|1,0,0]=3 6612 B13R1.658 O=C(O)C1CCN(C1)CCCCF 0bb7ac14621b27ab2a6dd5fdcaa63b6a [0,1,0,1,0,0|1,0,0]=3 6613 B13R1.658 O=C(O)C1CCN(C1)CCCCO 34bcc3d9111f80db8bc4d01e8621468f [0,1,0,1,0,0|1,0,0]=3 6614 B13R1.658 O=C(O)[C@@H]1CCN(C1)CCCCF 5e25b772f7dcf14c8b3bf56dd777e8fe [0,1,0,1,0,0|1,0,0]=3 6615 B13R1.658 O=C(O)[C@@H]1CCN(C1)CCCCO ba3a0307d830158f9fe9c01a67302cde [0,1,0,1,0,0|1,0,0]=3 6616 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCF 76f74c9639c126d0c5f8ce02167e9093 [0,1,0,1,0,0|1,0,0]=3 6617 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCO 5ac9fb236de033437529e8f64e25a64e [0,1,0,1,0,0|1,0,0]=3 6618 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)NCCCS add7c3d2daa8901c880e7bae30c3858b [0,1,0,1,0,0|1,0,0]=3 6619 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)OCCCF 68ec00ab613dd1cfd3c9a65661a19cce [0,1,0,1,0,0|1,0,0]=3 6620 B13R1.658 O=C(O)[C@@H]1CC[C@@H](C1)OCCCS 0a6ef61783057ca4c5c8099358bea5a7 [0,1,0,1,0,0|1,0,0]=3 6621 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)NCCCF 750eb75e01c58608c28bf5563bc4c4ad [0,1,0,1,0,0|1,0,0]=3 6622 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)NCCCO 915b736fd3c9410a72b3e62e682167ca [0,1,0,1,0,0|1,0,0]=3 6623 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)NCCCS 8558d00441d1ea085445cf2b2ba9aacb [0,1,0,1,0,0|1,0,0]=3 6624 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)OCCCF 15e36371f7af38d0c3e99901e1496a68 [0,1,0,1,0,0|1,0,0]=3 6625 B13R1.658 O=C(O)[C@@H]1CC[C@H](C1)OCCCS 3f88134fb4358c829ac8caebf5cff03e [0,1,0,1,0,0|1,0,0]=3 6626 B13R1.658 O=C(O)[C@H]1CCN(C1)CCCCF 28643880ca221cc53c9df6d73d72ab46 [0,1,0,1,0,0|1,0,0]=3 6627 B13R1.658 O=C(O)[C@H]1CCN(C1)CCCCO edb3eabf86c78947aa6036987ddebf74 [0,1,0,1,0,0|1,0,0]=3 6628 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)NCCCF 3fff4573b062bf221ad44085ecc46186 [0,1,0,1,0,0|1,0,0]=3 6629 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)NCCCO bc17e8ef003441ce28df317fbdb828ab [0,1,0,1,0,0|1,0,0]=3 6630 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)NCCCS 4860f712aab13534dc916d7bbd5d88f1 [0,1,0,1,0,0|1,0,0]=3 6631 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)OCCCF bf19c2859cbe369fb8c128734e611d99 [0,1,0,1,0,0|1,0,0]=3 6632 B13R1.658 O=C(O)[C@H]1CC[C@@H](C1)OCCCS 00f9fe1fb36015ef87a681ef479033e3 [0,1,0,1,0,0|1,0,0]=3 6633 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)NCCCF b13c6973dd05818b5d942d4cac87d3e6 [0,1,0,1,0,0|1,0,0]=3 6634 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)NCCCO c7ce432e9320fe72d9ba1691c2970e10 [0,1,0,1,0,0|1,0,0]=3 6635 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)NCCCS a23eb77bba7c45aa3fbe227f8ee7a44d [0,1,0,1,0,0|1,0,0]=3 6636 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)OCCCF fa42bedd42ef41440660ded80d551219 [0,1,0,1,0,0|1,0,0]=3 6637 B13R1.658 O=C(O)[C@H]1CC[C@H](C1)OCCCS eb68d3fc94fd648ff1f6c1d4a4581336 [0,1,0,1,0,0|1,0,0]=3 6638 B13R1.658 O=CCCCN1CCC(C1)C(=O)O 7d13abd75fcfd134a8008b53dec3b360 [0,1,0,1,0,0|1,0,1]=4 6639 B13R1.658 O=CCCCN1CC[C@@H](C1)C(=O)O fc251c0a8195fd86a56ea9c1f0a3bdcc [0,1,0,1,0,0|1,0,1]=4 6640 B13R1.658 O=CCCCN1CC[C@H](C1)C(=O)O 500e8752dee9dab9986afd096075a7db [0,1,0,1,0,0|1,0,1]=4 6641 B13R1.658 O=CCCNC1CCC(C1)C(=O)O c7075c13d440b8a0f03409d719b1092b [0,1,0,1,0,0|1,0,1]=4 6642 B13R1.658 O=CCCN[C@@H]1CC[C@@H](C1)C(=O)O a07712d0f6f467b5237399b05e082037 [0,1,0,1,0,0|1,0,1]=4 6643 B13R1.658 O=CCCN[C@@H]1CC[C@H](C1)C(=O)O bca3529369ef77a3415ac308abad3aa7 [0,1,0,1,0,0|1,0,1]=4 6644 B13R1.658 O=CCCN[C@H]1CC[C@@H](C1)C(=O)O 4d4cc640d3d1be88d78206be350128ff [0,1,0,1,0,0|1,0,1]=4 6645 B13R1.658 O=CCCN[C@H]1CC[C@H](C1)C(=O)O 794cd2cc002debce1a651f9eb3c01b96 [0,1,0,1,0,0|1,0,1]=4 6646 B13R1.658 O=CCCOC1CCC(C1)C(=O)O b39ab6f3556bb630299590f0209e89c5 [0,1,0,1,0,0|1,0,1]=4 6647 B13R1.658 O=CCCO[C@@H]1CC[C@@H](C1)C(=O)O 58a2f792a53be40c3ac5b8b7da08c12c [0,1,0,1,0,0|1,0,1]=4 6648 B13R1.658 O=CCCO[C@@H]1CC[C@H](C1)C(=O)O 74352465d4d416982bc75b016fb6a059 [0,1,0,1,0,0|1,0,1]=4 6649 B13R1.658 O=CCCO[C@H]1CC[C@@H](C1)C(=O)O d801275a5562657a09f4a5113b88b0e0 [0,1,0,1,0,0|1,0,1]=4 6650 B13R1.658 O=CCCO[C@H]1CC[C@H](C1)C(=O)O 8c0a4d33edad14273f6ec4dd9954034b [0,1,0,1,0,0|1,0,1]=4 6651 B13R1.1149 CCCCCN1CCCC(=O)CC1 12a6823eb8fdba3e21f92ad63532f9c3 [0,1,0,1,0,0|2,0,0]=4 6652 B13R1.1149 CCCCCN1CCNC(=O)CC1 748f8f2fb8c0dcb982e49c7babc9ef45 [0,1,0,1,0,0|2,0,0]=4 6653 B13R1.1149 CCCCOC1CCCC(=O)NC1 f7a47c629dd01d16abbc3c3ecb95cfae [0,1,0,1,0,0|2,0,0]=4 6654 B13R1.1149 CCCOCC1CCNC(=O)CC1 3229a1666b62d30b8561149c35abf9fb [0,1,0,1,0,0|1,0,0]=3 6655 B13R1.1149 CCCOCC1CCNC(=O)CO1 a7bdc3f9a63b9b92d001653018f9563d [0,1,0,1,0,0|2,0,0]=4 6656 B13R1.1149 CCOCCN1CCCC(=O)CC1 71519a823c85ac396021de4bb7b60cb5 [0,1,0,1,0,0|2,0,0]=4 6657 B13R1.1149 CCOCCN1CCNC(=O)CC1 59f54d52fb237e2ffe3d54554583df48 [0,1,0,1,0,0|2,0,0]=4 6658 B13R1.1149 CCSCCN1CCNC(=O)CC1 eb5a071fa96037a849556c184a3772c6 [0,1,0,1,0,0|2,0,0]=4 6659 B13R1.1149 COCCCN1CCCC(=O)CC1 ed47b90b1494b44885ca8aab9219c696 [0,1,0,1,0,0|2,0,0]=4 6660 B13R1.1149 COCCCN1CCNC(=O)CC1 ac3114b3866877cf5a38cf4b08591aa2 [0,1,0,1,0,0|2,0,0]=4 6661 B13R1.1149 COCOCC1CCNC(=O)CC1 7b3ba46b22934c5eb28053e9bfe72575 [0,1,0,1,0,0|2,0,0]=4 6662 B13R1.1149 CSCCCN1CCCC(=O)CC1 de884533511b8faa2819e792ab9dd675 [0,1,0,1,0,0|2,0,0]=4 6663 B13R1.1149 CSCCCN1CCNC(=O)CC1 b86de2282114f411060c03492006e003 [0,1,0,1,0,0|2,0,0]=4 6664 B13R1.1149 CSCOCC1CCNC(=O)CC1 3b79c10c2f278747f786611954e78935 [0,1,0,1,0,0|2,0,0]=4 6665 B13R1.1149 O=C1CCC(CCN1)COCCF a52f8ac8728fead83951d745a021180b [0,1,0,1,0,0|2,0,0]=4 6666 B13R1.1149 O=C1CCC(CCN1)COCCS bd2b3baaf2bcc30bf99e2e896f459fb6 [0,1,0,1,0,0|2,0,0]=4 6667 B13R1.1149 O=C1CCCN(CC1)CCCCF b81bd971262092ba66ad0b192b728848 [0,1,0,1,0,0|2,0,0]=4 6668 B13R1.1149 O=C1CCCN(CC1)CCCCO 9f3683561188cd03a706d0351c02b9d0 [0,1,0,1,0,0|2,0,0]=4 6669 B13R1.1149 O=C1CCN(CCN1)CCCCF 9b179dd6117b703dc35083a45f689d52 [0,1,0,1,0,0|2,0,0]=4 6670 B13R1.1149 O=C1CCN(CCN1)CCCCO 3728676b1fd9e696c86ad67d5692ef1d [0,1,0,1,0,0|2,0,0]=4 6671 B13R1.1157 C#CCCCN1CC(C1C)C(=O)O db2340537716033b2e09bd4b0652410f [0,1,0,1,0,0|1,0,1]=4 6672 B13R1.1157 C#CCCCN1C[C@H]([C@@H]1C)C(=O)O e18886f3253fb40e676ebef772699243 [0,1,0,1,0,0|1,0,1]=4 6673 B13R1.1157 C=CCCCN1CC(C1C)C(=O)O 77bd458e4b6777d260305c706eb24daf [0,1,0,1,0,0|1,0,1]=4 6674 B13R1.1157 C=CCCCN1C[C@H]([C@@H]1C)C(=O)O 5634b4d117ea4980221a777e8bb6e39f [0,1,0,1,0,0|1,0,1]=4 6675 B13R1.1157 CC/C=C/CN1CC(C1C)C(=O)O bdbd4c150d1579b1fbf1f5ee758ece7f [0,1,0,1,0,0|1,0,1]=4 6676 B13R1.1157 CC/C=C/CN1C[C@H]([C@@H]1C)C(=O)O 5ac0e527e27803c9e2c0b470adc1495e [0,1,0,1,0,0|1,0,1]=4 6677 B13R1.1157 CC1C(CN1CCCC#N)C(=O)O b377f1fdf0963feee8da71fa9fc3eca6 [0,1,0,1,0,0|1,0,1]=4 6678 B13R1.1157 CC1C(CN1CCCC=O)C(=O)O 5d16212ada3680bed2ed8e2d7c1f0495 [0,1,0,1,0,0|1,0,1]=4 6679 B13R1.1157 CC1C(CN1CCCCF)C(=O)O a98dacdb7e227e85c6b4ccf1f2b2bf6a [0,1,0,1,0,0|1,0,0]=3 6680 B13R1.1157 CC1C(CN1CCCCO)C(=O)O c3bdd222a0b6fee0f89cc16c31d8e2ca [0,1,0,1,0,0|1,0,0]=3 6681 B13R1.1157 CCCCCN1CC(C1C)C(=O)O 1bf8c4453a86007836c1fe382908a84b [0,1,0,1,0,0|1,0,0]=3 6682 B13R1.1157 CCCCCN1C[C@H]([C@@H]1C)C(=O)O ba3ed67d2f3000f7f40ac7de7133e537 [0,1,0,1,0,0|1,0,0]=3 6683 B13R1.1157 CCOCCN1CC(C1C)C(=O)O 9e6e4260b7ec748ea7facfb41022264f [0,1,0,1,0,0|1,0,0]=3 6684 B13R1.1157 CCOCCN1C[C@H]([C@@H]1C)C(=O)O 1c89c764c1f2a6dd0eb62c570c2dd200 [0,1,0,1,0,0|1,0,0]=3 6685 B13R1.1157 CCSCCN1CC(C1C)C(=O)O 77bac513f1a5e79e82cb7a08b33fa440 [0,1,0,1,0,0|1,0,0]=3 6686 B13R1.1157 CCSCCN1C[C@H]([C@@H]1C)C(=O)O 7b9c4d9c5d2f37d330313f0c7261f294 [0,1,0,1,0,0|1,0,0]=3 6687 B13R1.1157 COCCCN1CC(C1C)C(=O)O ded49aa819e5d31fcd999366a45f41e3 [0,1,0,1,0,0|1,0,0]=3 6688 B13R1.1157 COCCCN1C[C@H]([C@@H]1C)C(=O)O 6a3d0fe9b39dd4fbec447595502f6071 [0,1,0,1,0,0|1,0,0]=3 6689 B13R1.1157 CSCCCN1CC(C1C)C(=O)O 772c0bf896c4d4d440012c5231484551 [0,1,0,1,0,0|1,0,0]=3 6690 B13R1.1157 CSCCCN1C[C@H]([C@@H]1C)C(=O)O 7807ce65634f88edeb3baea35c54b65c [0,1,0,1,0,0|1,0,0]=3 6691 B13R1.1157 C[C@H]1[C@@H](CN1CCCC#N)C(=O)O e9610e753c9b016ebe0f395d4062ffb1 [0,1,0,1,0,0|1,0,1]=4 6692 B13R1.1157 C[C@H]1[C@@H](CN1CCCC=O)C(=O)O fb05a8897fbf00fcf4fe08834c992258 [0,1,0,1,0,0|1,0,1]=4 6693 B13R1.1157 C[C@H]1[C@@H](CN1CCCCF)C(=O)O ff5125e4b75703dd71694898a48947a8 [0,1,0,1,0,0|1,0,0]=3 6694 B13R1.1157 C[C@H]1[C@@H](CN1CCCCO)C(=O)O f00b58b1d4a9d8f7e80f589df9ff78a1 [0,1,0,1,0,0|1,0,0]=3 6695 B13R1.1410 C=CC(CCC(=O)O)NC1CCC1 8ae05592c61c2a8e3a4b3caeb2016a9a [0,1,0,1,0,0|0,0,2]=4 6696 B13R1.1410 C=C[C@H](CCC(=O)O)NC1CCC1 d7a9b7da86349d6361160a4757e4fe1f [0,1,0,1,0,0|0,0,2]=4 6697 B13R1.1410 CCN(CCC(=O)N)CC1CCC1 1fdfd5f7e58f88de3f7c49ffd1f715a1 [0,1,0,1,0,0|2,0,0]=4 6698 B13R1.1410 CCN(CCC(=O)N)CC1CCO1 8bcb3d05d3c32d7d80416f4c5433779b [0,1,0,1,0,0|2,0,0]=4 6699 B13R1.1410 CCN(CCC(=O)N)CC1COC1 cf496d540c67b84afa6ea24b65eae7ea [0,1,0,1,0,0|2,0,0]=4 6700 B13R1.1410 CCN(CCC(=O)N)C[C@@H]1CCO1 19a0245a18cce1c3c8c37375256f9765 [0,1,0,1,0,0|2,0,0]=4 6701 B13R1.1410 CCN(CCC(=O)N)C[C@H]1CCO1 68d92e134313e32fc2e1ba99f879ec4b [0,1,0,1,0,0|2,0,0]=4 6702 B13R1.2135 CC1CCCC(N1CC(=O)O)CO 681468c8660f186edb9c7892afa45afa [0,1,0,1,0,0|2,0,0]=4 6703 B13R1.2430 CCC1CCN(C(C1)C(=O)O)CC c0a67db8c015db78f791473e3b333f33 [0,1,0,1,0,0|0,0,0]=2 6704 B13R1.2430 CCC1CCN(C(C1)C(=O)O)CF 61ef139d8a303c9b9a3961e6ba47cd6f [0,1,0,1,0,0|1,0,0]=3 6705 B13R1.2430 CCC1CCN(C(C1)C(=O)O)CO 610b8058a89ae95d3c941c5168f09a1a [0,1,0,1,0,0|1,0,0]=3 6706 B13R1.2479 CCCNCC1(CC1)COC(=O)C 5be7ea395342e672a5605712a2a75f40 [0,1,0,1,0,0|2,0,0]=4 6707 B13R1.2479 CCCOCC1(CC1)COC(=O)C f1aa250901293a05147784302e28b23f [0,1,0,1,0,0|2,0,0]=4 6708 B13R1.2694 C=CC(CCC(=O)O)NCC1CC1 d2fdd7924b61a7376634dd382f099c18 [0,1,0,1,0,0|0,0,2]=4 6709 B13R1.2694 C=C[C@H](CCC(=O)O)NCC1CC1 2afa1f38cc5cf81b94808bb1bcefda57 [0,1,0,1,0,0|0,0,2]=4 6710 B13R1.2694 CCC(C#CC1CC1)OCC(=O)O afc0addcf6a336a873acd9663c889c8a [0,1,0,1,0,0|1,0,1]=4 6711 B13R1.2694 CCN(CCC(=O)N)CCC1CC1 a738ba44989a0649b14e56edcc29cf2b [0,1,0,1,0,0|2,0,0]=4 6712 B13R1.2852 C#CCCCN1CCC1CC(=O)O 8b8230fe3e9e5b907f026aae710b496a [0,1,0,1,0,0|1,0,1]=4 6713 B13R1.2852 C=CCCCN1CCC1CC(=O)O 85c66c4b9aa813cdf26190d82792ccd8 [0,1,0,1,0,0|1,0,1]=4 6714 B13R1.2852 CC/C=C/CN1CCC1CC(=O)O 687829ea78ef2deed1b0f11d8ba45fae [0,1,0,1,0,0|1,0,1]=4 6715 B13R1.2852 CCCCCN1CCC1CC(=O)O 3463dfe593752106103b4c86e544596c [0,1,0,1,0,0|1,0,0]=3 6716 B13R1.2852 CCCCOC1CCC1OC(=O)C 9884e26f60c4efa41152671dbfbabdf2 [0,1,0,1,0,0|2,0,0]=4 6717 B13R1.2852 CCOCCN1CCC1CC(=O)O 271a47d7ca4694e7f94dd1b56a24be4b [0,1,0,1,0,0|1,0,0]=3 6718 B13R1.2852 CCSCCN1CCC1CC(=O)O 0c7c4b4a0508d8e2df877e446b66ebc7 [0,1,0,1,0,0|1,0,0]=3 6719 B13R1.2852 COCCCN1CCC1CC(=O)O 9dcb859db23a92682f5d7d0fc4523b34 [0,1,0,1,0,0|1,0,0]=3 6720 B13R1.2852 CSCCCN1CCC1CC(=O)O c846915015727b3b9a1ec25033216c4d [0,1,0,1,0,0|1,0,0]=3 6721 B13R1.2852 N#CCCCN1CCC1CC(=O)O a14113d386ef8f0f614067db0ace7416 [0,1,0,1,0,0|1,0,1]=4 6722 B13R1.2852 O=C(O)CC1CCN1CCCCF cbba4144a7f374b3e5352cacb4e3611a [0,1,0,1,0,0|1,0,0]=3 6723 B13R1.2852 O=C(O)CC1CCN1CCCCO 664236fbe58cb1bb092ec4491dcbd441 [0,1,0,1,0,0|1,0,0]=3 6724 B13R1.2852 O=CCCCN1CCC1CC(=O)O cccf949d04369273bfd531ac34f118c1 [0,1,0,1,0,0|1,0,1]=4 6725 B13R1.5993 CCC1(CCOCC1)CNC(=O)C 6464b0d7b9c4fc871b300fcd324ebc85 [0,1,0,1,0,0|2,0,0]=4 6726 B13R1.5993 CCC1(CCOCC1)NCC(=O)N 307f41fe2c75ee1577521a4dd61ed44e [0,1,0,1,0,0|2,0,0]=4 6727 B13R1.5993 CCC1(CCOCC1)NCC(=O)O 5a004f85ca70e1c20533539c5cfbedd4 [0,1,0,1,0,0|1,0,0]=3 6728 B13R1.5993 O=C(O)CNC1(CCCCC1)CO 6ba6e529364d18b082b251bf4f6ec0a6 [0,1,0,1,0,0|2,0,0]=4 6729 B13R1.5993 O=C(O)CNC1(CCOCC1)CO d10a2019ace91545205d91d8d35435ee [0,1,0,1,0,0|2,0,0]=4 6730 B13R1.5993 O=C(O)CNC1(CCSCC1)CO 0d918060f88b43a9a822ce0d45b545b3 [0,1,0,1,0,0|2,0,0]=4 6731 B13R1.6548 O=C(O)CN1C(CCC1CO)CO aa28c84118d3ff4cf6cfc90df545581a [0,1,0,1,0,0|2,0,0]=4 6732 B13R1.6548 O=C(O)CN1[C@@H](CC[C@@H]1CO)CO 223ebd6c5d789b406a3c346a045dabf1 [0,1,0,1,0,0|2,0,0]=4 6733 B13R1.893 CC(=O)CCN1CC(CCC1C)O e53ac8b6d35ae4b9da109282c68601a3 [0,1,0,1,0,0|2,0,0]=4 6734 B13R1.893 CC(=O)CCN1C[C@@H](CC[C@H]1C)O f56123f46c63411ee5eedafcc97839e8 [0,1,0,1,0,0|2,0,0]=4 6735 B13R1.893 CC1CCC(C(C1)OCC(=O)N)C 83432fcfcfcf71829fab3f8f66b53cdf [0,1,0,1,0,0|2,0,0]=4 6736 B13R1.893 CC1CCC(C(C1)OCC(=O)O)C 3090d25fc0778a5236d82fd11b1922bf [0,1,0,1,0,0|1,0,0]=3 6737 B13R1.893 CC1CCC(CN1CCC(=O)N)O 9cfaa0acaeec35cb969dbb21423951eb [0,1,0,1,0,0|2,0,0]=4 6738 B13R1.893 CC1CCC(CN1CCC(=O)O)O 22e60b9280ff31c4c6646cb7290ac8d6 [0,1,0,1,0,0|1,0,0]=3 6739 B13R1.893 C[C@@H]1CC[C@H](CN1CCC(=O)N)O 70f82908b8724bddcccf173db578460b [0,1,0,1,0,0|2,0,0]=4 6740 B13R1.893 C[C@@H]1CC[C@H](CN1CCC(=O)O)O 53f68face3ef239e50bb660cdb4a50d6 [0,1,0,1,0,0|1,0,0]=3 6741 B13R1.1701 C=C(CC)CN1CCC1CC(=O)O 56c6cf952b5c2c1bec650fbf58d3b5f1 [0,1,0,1,0,0|1,0,1]=4 6742 B13R1.1701 CC(CO)CN1CCC1CC(=O)O 1ab973a6a633840ef44a3103a189c6ea [0,1,0,1,0,0|2,0,0]=4 6743 B13R1.1701 CCC(=O)CN1CCC1CC(=O)O ec705033861e43016fa70e1d6bfeffc3 [0,1,0,1,0,0|1,0,1]=4 6744 B13R1.1701 CCC(C)CN1CCC1CC(=O)O 490c1712496c34c13214a6b95c06a3aa [0,1,0,1,0,0|1,0,0]=3 6745 B13R1.1701 CCC(O)CN1CCC1CC(=O)O fdd946c6bae3a95f4b3bb2d35717d581 [0,1,0,1,0,0|1,0,0]=3 6746 B13R1.1701 CC[C@@H](C)CN1CCC1CC(=O)O 3352a5ad0d291ebe2fe21ea11900045c [0,1,0,1,0,0|1,0,0]=3 6747 B13R1.1701 CC[C@H](C)CN1CCC1CC(=O)O c7eecd1a624222b8925b11a068c09adc [0,1,0,1,0,0|1,0,0]=3 6748 B13R1.1701 COC(C)CN1CCC1CC(=O)O 8d441a0c0a175dce26f68a7b8c94a29c [0,1,0,1,0,0|2,0,0]=4 6749 B13R1.1701 CO[C@@H](C)CN1CCC1CC(=O)O 31c61a8c0a64f31f48044b1c1e4df3e2 [0,1,0,1,0,0|2,0,0]=4 6750 B13R1.1701 CO[C@H](C)CN1CCC1CC(=O)O cc70fc68111348fcd04c76f3f178c29e [0,1,0,1,0,0|2,0,0]=4 6751 B13R1.1701 C[C@@H](CO)CN1CCC1CC(=O)O a5f39c6362aee3b929ebb1f1b609df81 [0,1,0,1,0,0|2,0,0]=4 6752 B13R1.1701 C[C@H](CO)CN1CCC1CC(=O)O bd8b462d8e6460038e8840446dfb090a [0,1,0,1,0,0|2,0,0]=4 6753 B13R1.1701 O=C(O)CC1CCN1CC(O)CF 7650146c6554c361e5d11b7bbff9ed35 [0,1,0,1,0,0|2,0,0]=4 6754 B13R1.1701 O=C(O)CC1CCN1CC(O)CO bd711ac85f3d71192f39e95bd28c9393 [0,1,0,1,0,0|2,0,0]=4 6755 B13R1.1701 O=C(O)CC1CCN1C[C@@H](O)CO b946a3a4d857a9f0b6a1a9d3e0202497 [0,1,0,1,0,0|2,0,0]=4 6756 B13R1.1701 O=C(O)CC1CCN1C[C@H](O)CO 4344e7b2f8cf76fc45655b6040051596 [0,1,0,1,0,0|2,0,0]=4 6757 B13R1.1706 C=C(CC)CN1CCC(C1)C(=O)O 5a9b60e51e89268b003c1d0cd7e835cf [0,1,0,1,0,0|1,0,1]=4 6758 B13R1.1706 C=C(CC)CN1CC[C@@H](C1)C(=O)O 73b0312e5d2b81f358b5d30d7d3365ff [0,1,0,1,0,0|1,0,1]=4 6759 B13R1.1706 C=C(CC)CN1CC[C@H](C1)C(=O)O 5f5f7b838e60d005e7f4a6af4bc7d2e6 [0,1,0,1,0,0|1,0,1]=4 6760 B13R1.1706 CC(CF)OC1CCC(C1)C(=O)O 44289e6fceb42363c37e188282ebd7a6 [0,1,0,1,0,0|2,0,0]=4 6761 B13R1.1706 CC(CO)CN1CCC(C1)C(=O)O a53caf4482372e984805ef2a3621053a [0,1,0,1,0,0|2,0,0]=4 6762 B13R1.1706 CC(CO)CN1CC[C@@H](C1)C(=O)O 6ff0f13f92ffab635cf81f2dcf1b8edf [0,1,0,1,0,0|2,0,0]=4 6763 B13R1.1706 CC(CO)CN1CC[C@H](C1)C(=O)O 571ec6d8b97842cfb1c95ed8f3b135ea [0,1,0,1,0,0|2,0,0]=4 6764 B13R1.1706 CC(CO)NC1CCC(C1)C(=O)O 907407f047793baa81fabfd0c9306c07 [0,1,0,1,0,0|2,0,0]=4 6765 B13R1.1706 CC(CO)N[C@@H]1CC[C@@H](C1)C(=O)O 1bf0ceb56ee73d8e93b8d1302843ff88 [0,1,0,1,0,0|2,0,0]=4 6766 B13R1.1706 CC(CO)N[C@@H]1CC[C@H](C1)C(=O)O d8ab6a5841792c6f08ff6e548b0fb222 [0,1,0,1,0,0|2,0,0]=4 6767 B13R1.1706 CC(CO)N[C@H]1CC[C@@H](C1)C(=O)O dc7423153235efe2ea01fefd9496bbfe [0,1,0,1,0,0|2,0,0]=4 6768 B13R1.1706 CC(CO)N[C@H]1CC[C@H](C1)C(=O)O 16cdc0109d4de28931fabb55ef05a19f [0,1,0,1,0,0|2,0,0]=4 6769 B13R1.1706 CCC(=O)CN1CCC(C1)C(=O)O b8670bd89482d76db7707c7cad1bb7d7 [0,1,0,1,0,0|1,0,1]=4 6770 B13R1.1706 CCC(=O)CN1CC[C@@H](C1)C(=O)O 8bd21591b3ef4a293dd1e908793af5c6 [0,1,0,1,0,0|1,0,1]=4 6771 B13R1.1706 CCC(=O)CN1CC[C@H](C1)C(=O)O 30d88f27a73263255bf2822c47815e2b [0,1,0,1,0,0|1,0,1]=4 6772 B13R1.1706 CCC(C)CN1CCC(C1)C(=O)C b0d694d2cc930b80795c6a295e66fb9a [0,1,0,1,0,0|2,0,0]=4 6773 B13R1.1706 CCC(C)CN1CCC(C1)C(=O)N e0606dc9934931aea7db309ae7ace966 [0,1,0,1,0,0|2,0,0]=4 6774 B13R1.1706 CCC(C)CN1CCC(C1)C(=O)O 63c9654e47bd44e32e6e0d83b3f1ecb7 [0,1,0,1,0,0|1,0,0]=3 6775 B13R1.1706 CCC(C)CN1CC[C@@H](C1)C(=O)N 66014f548020870421583366c6e636ff [0,1,0,1,0,0|2,0,0]=4 6776 B13R1.1706 CCC(C)CN1CC[C@@H](C1)C(=O)O d9c988c8538524561abc2d9f405460d9 [0,1,0,1,0,0|1,0,0]=3 6777 B13R1.1706 CCC(C)CN1CC[C@H](C1)C(=O)N c8a2c56e14291b02c0703b82a62eab22 [0,1,0,1,0,0|2,0,0]=4 6778 B13R1.1706 CCC(C)CN1CC[C@H](C1)C(=O)O cf3b0c2f5aa791e1957cfc7743781516 [0,1,0,1,0,0|1,0,0]=3 6779 B13R1.1706 CCC(C)NC1CCC(C1)C(=O)N a9f512271c7ff117fc96e783a360c1c4 [0,1,0,1,0,0|2,0,0]=4 6780 B13R1.1706 CCC(C)NC1CCC(C1)C(=O)O e27ffaa78ff8fa914c310cdef04732a8 [0,1,0,1,0,0|1,0,0]=3 6781 B13R1.1706 CCC(C)N[C@@H]1CC[C@@H](C1)C(=O)N 32bed537800b45dc3011e14f5abc4f91 [0,1,0,1,0,0|2,0,0]=4 6782 B13R1.1706 CCC(C)N[C@@H]1CC[C@@H](C1)C(=O)O 0372bebf902e780158edbb17c5b02630 [0,1,0,1,0,0|1,0,0]=3 6783 B13R1.1706 CCC(C)N[C@@H]1CC[C@H](C1)C(=O)N a4ed573abda4352b8bcf9fdd838f855c [0,1,0,1,0,0|2,0,0]=4 6784 B13R1.1706 CCC(C)N[C@@H]1CC[C@H](C1)C(=O)O d7f5e0e56df96360490ad76f28b6dca3 [0,1,0,1,0,0|1,0,0]=3 6785 B13R1.1706 CCC(C)N[C@H]1CC[C@@H](C1)C(=O)N 307cbd0b9bb12e0246acb382161c600e [0,1,0,1,0,0|2,0,0]=4 6786 B13R1.1706 CCC(C)N[C@H]1CC[C@@H](C1)C(=O)O a87579ca32abe51d92c815a2318145bc [0,1,0,1,0,0|1,0,0]=3 6787 B13R1.1706 CCC(C)N[C@H]1CC[C@H](C1)C(=O)N 02ff4c68dc6e9ec31223ad841c42c9e0 [0,1,0,1,0,0|2,0,0]=4 6788 B13R1.1706 CCC(C)N[C@H]1CC[C@H](C1)C(=O)O 1f0f68f8ea0e86c90a79523c36484964 [0,1,0,1,0,0|1,0,0]=3 6789 B13R1.1706 CCC(C)OC1CCC(C1)C(=O)O bb7852ecdf6948c33b7332bf4c785ab2 [0,1,0,1,0,0|1,0,0]=3 6790 B13R1.1706 CCC(C)O[C@@H]1CC[C@@H](C1)C(=O)O c09c12ca7df49378c8a0e53b4a5e31a5 [0,1,0,1,0,0|1,0,0]=3 6791 B13R1.1706 CCC(C)O[C@@H]1CC[C@H](C1)C(=O)O 1ab03b53bdd8617a30361f31cbaf4ed3 [0,1,0,1,0,0|1,0,0]=3 6792 B13R1.1706 CCC(C)O[C@H]1CC[C@@H](C1)C(=O)O 569845c0f61fd8b79f9ce473ac6a932a [0,1,0,1,0,0|1,0,0]=3 6793 B13R1.1706 CCC(C)O[C@H]1CC[C@H](C1)C(=O)O c67c75cb3e65402297ad3b899ce3ce9c [0,1,0,1,0,0|1,0,0]=3 6794 B13R1.1706 CCC(O)CN1CCC(C1)C(=O)C a9d1f984f9653cc10a053a8035da196b [0,1,0,1,0,0|2,0,0]=4 6795 B13R1.1706 CCC(O)CN1CCC(C1)C(=O)N 4e9342346cd0f2b032457acfe7ee4de9 [0,1,0,1,0,0|2,0,0]=4 6796 B13R1.1706 CCC(O)CN1CCC(C1)C(=O)O b4302bbdf270619644da674c4af90ce2 [0,1,0,1,0,0|1,0,0]=3 6797 B13R1.1706 CCC(O)CN1CC[C@@H](C1)C(=O)N 3b1882b69b0211129b2bc5a16f57329b [0,1,0,1,0,0|2,0,0]=4 6798 B13R1.1706 CCC(O)CN1CC[C@@H](C1)C(=O)O 9c914c8df1da14d1e0af027d121385ca [0,1,0,1,0,0|1,0,0]=3 6799 B13R1.1706 CCC(O)CN1CC[C@H](C1)C(=O)N 22b576cb1f63468ff0c2c28684944242 [0,1,0,1,0,0|2,0,0]=4 6800 B13R1.1706 CCC(O)CN1CC[C@H](C1)C(=O)O d49d9a545487e452bde07b163ce62243 [0,1,0,1,0,0|1,0,0]=3 6801 B13R1.1706 CC[C@@H](C)CN1CCC(C1)C(=O)C f30da7fba143c6c945084d190d40648b [0,1,0,1,0,0|2,0,0]=4 6802 B13R1.1706 CC[C@@H](C)CN1CCC(C1)C(=O)N ff91adc67de3aca7c8e12956e5fc220c [0,1,0,1,0,0|2,0,0]=4 6803 B13R1.1706 CC[C@@H](C)CN1CCC(C1)C(=O)O 52c04d57cd359f4393664f008f004c55 [0,1,0,1,0,0|1,0,0]=3 6804 B13R1.1706 CC[C@@H](C)CN1CC[C@@H](C1)C(=O)N 6cdd911d2ff7ec1689a36ce8fb3c2aee [0,1,0,1,0,0|2,0,0]=4 6805 B13R1.1706 CC[C@@H](C)CN1CC[C@@H](C1)C(=O)O b68cf14a7984addd83903cb64fdb3b6a [0,1,0,1,0,0|1,0,0]=3 6806 B13R1.1706 CC[C@@H](C)CN1CC[C@H](C1)C(=O)N ecf4222b390c6689fb6f6c5a621be7fc [0,1,0,1,0,0|2,0,0]=4 6807 B13R1.1706 CC[C@@H](C)CN1CC[C@H](C1)C(=O)O 7a360b7dca9126ad0e9a9bf11f52775d [0,1,0,1,0,0|1,0,0]=3 6808 B13R1.1706 CC[C@@H](C)NC1CCC(C1)C(=O)O 9f0abe7b7df559de4912154a59ee5dbc [0,1,0,1,0,0|1,0,0]=3 6809 B13R1.1706 CC[C@@H](C)OC1CCC(C1)C(=O)O a97401c82d9ef7aab682d33218a26a13 [0,1,0,1,0,0|1,0,0]=3 6810 B13R1.1706 CC[C@H](C)CN1CCC(C1)C(=O)C 374f642d5ed55a175ab1adc3ac184529 [0,1,0,1,0,0|2,0,0]=4 6811 B13R1.1706 CC[C@H](C)CN1CCC(C1)C(=O)N bc8a99bcbb133cba25906e344bac9fd6 [0,1,0,1,0,0|2,0,0]=4 6812 B13R1.1706 CC[C@H](C)CN1CCC(C1)C(=O)O 2953a61dfb892e470a3b94ca7d24db69 [0,1,0,1,0,0|1,0,0]=3 6813 B13R1.1706 CC[C@H](C)CN1CC[C@@H](C1)C(=O)N decc4c156dca67029a3157c11bed8673 [0,1,0,1,0,0|2,0,0]=4 6814 B13R1.1706 CC[C@H](C)CN1CC[C@@H](C1)C(=O)O 06150a87b1d940691d651d2cd411fac7 [0,1,0,1,0,0|1,0,0]=3 6815 B13R1.1706 CC[C@H](C)CN1CC[C@H](C1)C(=O)N 991ae016af10c4ad64cfa4945bd447ae [0,1,0,1,0,0|2,0,0]=4 6816 B13R1.1706 CC[C@H](C)CN1CC[C@H](C1)C(=O)O bd0a41a96119005d70485914d29fe0f1 [0,1,0,1,0,0|1,0,0]=3 6817 B13R1.1706 CC[C@H](C)NC1CCC(C1)C(=O)O 0b0a0321f7a800b6ae3d7ece96b772b1 [0,1,0,1,0,0|1,0,0]=3 6818 B13R1.1706 CC[C@H](C)OC1CCC(C1)C(=O)O eec3e1d990bd4cd4ea7413f70a33bcf0 [0,1,0,1,0,0|1,0,0]=3 6819 B13R1.1706 COC(C)CN1CCC(C1)C(=O)O c88a95a333e3023e83e1e66788272139 [0,1,0,1,0,0|2,0,0]=4 6820 B13R1.1706 COC(C)CN1CC[C@@H](C1)C(=O)O b6859c694018398d6791886029bc004a [0,1,0,1,0,0|2,0,0]=4 6821 B13R1.1706 COC(C)CN1CC[C@H](C1)C(=O)O b60b01ddc938c2c745d94a5381de9763 [0,1,0,1,0,0|2,0,0]=4 6822 B13R1.1706 CO[C@@H](C)CN1CCC(C1)C(=O)O 7e14a35728af6311d1dbcdd7c36dfe4d [0,1,0,1,0,0|2,0,0]=4 6823 B13R1.1706 CO[C@@H](C)CN1CC[C@@H](C1)C(=O)O 59d22c6b7b775c76d689aaac56161ee7 [0,1,0,1,0,0|2,0,0]=4 6824 B13R1.1706 CO[C@@H](C)CN1CC[C@H](C1)C(=O)O c2cdb307e4348f16b7811973156bc201 [0,1,0,1,0,0|2,0,0]=4 6825 B13R1.1706 CO[C@H](C)CN1CCC(C1)C(=O)O 4ff742537cdfdc3f25348c4ca01c2ee8 [0,1,0,1,0,0|2,0,0]=4 6826 B13R1.1706 CO[C@H](C)CN1CC[C@@H](C1)C(=O)O 2dc7624d1f0171a1b01ec192c8cf286d [0,1,0,1,0,0|2,0,0]=4 6827 B13R1.1706 CO[C@H](C)CN1CC[C@H](C1)C(=O)O 45811eaa6bc044ada54df953742c5350 [0,1,0,1,0,0|2,0,0]=4 6828 B13R1.1706 C[C@@H](CO)CN1CCC(C1)C(=O)O 9dbebe07a2d7e1b946f57415a5c0a96e [0,1,0,1,0,0|2,0,0]=4 6829 B13R1.1706 C[C@@H](CO)CN1CC[C@@H](C1)C(=O)O 654a1503b8552a39c800eb6f19ecaf97 [0,1,0,1,0,0|2,0,0]=4 6830 B13R1.1706 C[C@@H](CO)CN1CC[C@H](C1)C(=O)O 27fc3b66ab8dea4a50ea684a18e63510 [0,1,0,1,0,0|2,0,0]=4 6831 B13R1.1706 C[C@@H](CO)NC1CCC(C1)C(=O)O df42e6535d06658705c3dc8e146eb20c [0,1,0,1,0,0|2,0,0]=4 6832 B13R1.1706 C[C@@H](CO)N[C@@H]1CC[C@@H](C1)C(=O)O e8f8197bdbf6a84f1ccb4edb43759b6f [0,1,0,1,0,0|2,0,0]=4 6833 B13R1.1706 C[C@@H](CO)N[C@@H]1CC[C@H](C1)C(=O)O 1d1f069b655c6f39eb6c9a87a3524482 [0,1,0,1,0,0|2,0,0]=4 6834 B13R1.1706 C[C@@H](CO)N[C@H]1CC[C@@H](C1)C(=O)O 7424ca36be965367016dbbc8a9f18b51 [0,1,0,1,0,0|2,0,0]=4 6835 B13R1.1706 C[C@@H](CO)N[C@H]1CC[C@H](C1)C(=O)O 876aaca8dcceb9559836703f5257bcca [0,1,0,1,0,0|2,0,0]=4 6836 B13R1.1706 C[C@H](CO)CN1CCC(C1)C(=O)O 7c417c357ef9e743adb81976accb62ba [0,1,0,1,0,0|2,0,0]=4 6837 B13R1.1706 C[C@H](CO)CN1CC[C@@H](C1)C(=O)O 2f7879a60865bab2907057f1628c7818 [0,1,0,1,0,0|2,0,0]=4 6838 B13R1.1706 C[C@H](CO)CN1CC[C@H](C1)C(=O)O f415d852bac4d74b19e55e53e2948204 [0,1,0,1,0,0|2,0,0]=4 6839 B13R1.1706 C[C@H](CO)NC1CCC(C1)C(=O)O 0cb1aa0b3ed40990557bd4c5b1148d78 [0,1,0,1,0,0|2,0,0]=4 6840 B13R1.1706 C[C@H](CO)N[C@@H]1CC[C@@H](C1)C(=O)O d45cb7ad44ad14291af6cbe15c1dd924 [0,1,0,1,0,0|2,0,0]=4 6841 B13R1.1706 C[C@H](CO)N[C@@H]1CC[C@H](C1)C(=O)O 3975ba29421eafc9fe1eaaaed3dce69b [0,1,0,1,0,0|2,0,0]=4 6842 B13R1.1706 C[C@H](CO)N[C@H]1CC[C@@H](C1)C(=O)O e4a1c321eba5f74637444f78e7f186e6 [0,1,0,1,0,0|2,0,0]=4 6843 B13R1.1706 C[C@H](CO)N[C@H]1CC[C@H](C1)C(=O)O 78ab3229ba49d9912cac18f7f2f40895 [0,1,0,1,0,0|2,0,0]=4 6844 B13R1.1706 O=C(O)C1CCN(C1)CC(O)CF d476fe6742fc4a65abed665b5a76b398 [0,1,0,1,0,0|2,0,0]=4 6845 B13R1.1706 O=C(O)C1CCN(C1)CC(O)CO 56e9d6096c3dc9291fa653ed431615cd [0,1,0,1,0,0|2,0,0]=4 6846 B13R1.1706 O=C(O)C1CCN(C1)C[C@@H](O)CO c49e233d5418c290dc3535941c319e20 [0,1,0,1,0,0|2,0,0]=4 6847 B13R1.1706 O=C(O)C1CCN(C1)C[C@H](O)CO 6b79f4bc340f4b42d02a7a75d8930ccd [0,1,0,1,0,0|2,0,0]=4 6848 B13R1.1706 O=C(O)[C@@H]1CCN(C1)CC(O)CF 47ce9641ae3740d0f7c69d157d3fe7b2 [0,1,0,1,0,0|2,0,0]=4 6849 B13R1.1706 O=C(O)[C@@H]1CCN(C1)CC(O)CO 5f218208121b5730e0d330e177f56f5b [0,1,0,1,0,0|2,0,0]=4 6850 B13R1.1706 O=C(O)[C@@H]1CCN(C1)C[C@@H](O)CO 2b712fe159b560ef12ddd3ab6f682b6f [0,1,0,1,0,0|2,0,0]=4 6851 B13R1.1706 O=C(O)[C@@H]1CCN(C1)C[C@H](O)CO 87e504615498285a5946603154dae71c [0,1,0,1,0,0|2,0,0]=4 6852 B13R1.1706 O=C(O)[C@H]1CCN(C1)CC(O)CF 8c47bf764d8ad3f6ddb348268ec02860 [0,1,0,1,0,0|2,0,0]=4 6853 B13R1.1706 O=C(O)[C@H]1CCN(C1)CC(O)CO ced301b604480225743e188b4ee05d3e [0,1,0,1,0,0|2,0,0]=4 6854 B13R1.1706 O=C(O)[C@H]1CCN(C1)C[C@@H](O)CO 2fb72baa500c8588730a7f0fbfe97d9c [0,1,0,1,0,0|2,0,0]=4 6855 B13R1.1706 O=C(O)[C@H]1CCN(C1)C[C@H](O)CO 0b89aa876f053da243bc909691572bdd [0,1,0,1,0,0|2,0,0]=4 6856 B13R1.1869 CCC(C)CN1CCCC(=O)CC1 df2d823d02dd092d7e69bc1bc1ca28dd [0,1,0,1,0,0|2,0,0]=4 6857 B13R1.1869 CCC(C)CN1CCNC(=O)CC1 21ccf0d60a914c628bb4febf4e0cf15e [0,1,0,1,0,0|2,0,0]=4 6858 B13R1.1869 CCC(O)CN1CCCC(=O)CC1 1b50d4b2443110fca8fda98c2f108d10 [0,1,0,1,0,0|2,0,0]=4 6859 B13R1.1869 CCC(O)CN1CCNC(=O)CC1 d766c9f1739e64447452cba32fc42cfd [0,1,0,1,0,0|2,0,0]=4 6860 B13R1.1869 CC[C@@H](C)CN1CCCC(=O)CC1 aae873c8e987522dc92f88b0302d9525 [0,1,0,1,0,0|2,0,0]=4 6861 B13R1.1869 CC[C@@H](C)CN1CCNC(=O)CC1 54ac2062ec889708bae2e3ec7238ced9 [0,1,0,1,0,0|2,0,0]=4 6862 B13R1.1869 CC[C@H](C)CN1CCCC(=O)CC1 1f21d48ae7cfa380eba6ae9f2d11748d [0,1,0,1,0,0|2,0,0]=4 6863 B13R1.1869 CC[C@H](C)CN1CCNC(=O)CC1 3b0e733b98fd8719c86b98940fb00b6d [0,1,0,1,0,0|2,0,0]=4 6864 B13R1.1876 C=C(CC)CN1CC(C1C)C(=O)O 53ce713880e3991c3efa71478ce05675 [0,1,0,1,0,0|1,0,1]=4 6865 B13R1.1876 C=C(CC)CN1C[C@H]([C@@H]1C)C(=O)O 5bfd40a68492804025be27887ccec17c [0,1,0,1,0,0|1,0,1]=4 6866 B13R1.1876 CC(CO)CN1CC(C1C)C(=O)O 57ab50899730e79b5448e37d765031d1 [0,1,0,1,0,0|2,0,0]=4 6867 B13R1.1876 CC(CO)CN1C[C@H]([C@@H]1C)C(=O)O 693fc440b1691dc2462ef3b4aa46cc24 [0,1,0,1,0,0|2,0,0]=4 6868 B13R1.1876 CC1C(CN1CC(O)CF)C(=O)O 8aac093a4fbc49f0ec7cf42b23fd097a [0,1,0,1,0,0|2,0,0]=4 6869 B13R1.1876 CC1C(CN1CC(O)CO)C(=O)O 04150252c865c51beb446ba3861bf5f8 [0,1,0,1,0,0|2,0,0]=4 6870 B13R1.1876 CC1C(CN1C[C@@H](C)CO)C(=O)O e5a54c47ea208775cabcbf582f3e5b61 [0,1,0,1,0,0|2,0,0]=4 6871 B13R1.1876 CC1C(CN1C[C@@H](O)CO)C(=O)O bbe0bfe66a01524a7d4fcef91230456e [0,1,0,1,0,0|2,0,0]=4 6872 B13R1.1876 CC1C(CN1C[C@H](C)CO)C(=O)O 7bb4f70bfd015375c749b5f0cf271568 [0,1,0,1,0,0|2,0,0]=4 6873 B13R1.1876 CC1C(CN1C[C@H](O)CO)C(=O)O 7b32ee921b56b830f6d0bc1da140d679 [0,1,0,1,0,0|2,0,0]=4 6874 B13R1.1876 CCC(=O)CN1CC(C1C)C(=O)O 16c966f8cff76643f9e3f17aef191b6e [0,1,0,1,0,0|1,0,1]=4 6875 B13R1.1876 CCC(=O)CN1C[C@H]([C@@H]1C)C(=O)O 485272276f70a485a7d48f35b78e00c0 [0,1,0,1,0,0|1,0,1]=4 6876 B13R1.1876 CCC(C)CN1CC(C1C)C(=O)O b0f0c2465bc854300b10554fd30fac91 [0,1,0,1,0,0|1,0,0]=3 6877 B13R1.1876 CCC(C)CN1C[C@H]([C@@H]1C)C(=O)O d160f197a6fa48336fc77e501e729437 [0,1,0,1,0,0|1,0,0]=3 6878 B13R1.1876 CCC(O)CN1CC(C1C)C(=O)O 02ce9693d298db00a289aa08e9aec5a8 [0,1,0,1,0,0|1,0,0]=3 6879 B13R1.1876 CCC(O)CN1C[C@H]([C@@H]1C)C(=O)O 912e3a5cf7bb383e91ed0d7d4187a8aa [0,1,0,1,0,0|1,0,0]=3 6880 B13R1.1876 CC[C@@H](C)CN1CC(C1C)C(=O)O 45f16d4e34462b4bed14f13fd3c62589 [0,1,0,1,0,0|1,0,0]=3 6881 B13R1.1876 CC[C@@H](C)CN1C[C@H]([C@@H]1C)C(=O)O 9bf33d343872c630fef7fcd9bd3bd1b5 [0,1,0,1,0,0|1,0,0]=3 6882 B13R1.1876 CC[C@H](C)CN1CC(C1C)C(=O)O b504f7bfee149d599cc681b66c53b1ea [0,1,0,1,0,0|1,0,0]=3 6883 B13R1.1876 CC[C@H](C)CN1C[C@H]([C@@H]1C)C(=O)O e41d902d46cee04b4effbb8c625abfaf [0,1,0,1,0,0|1,0,0]=3 6884 B13R1.1876 COC(C)CN1CC(C1C)C(=O)O 77158b84b22e895f488f59422fc2b1c7 [0,1,0,1,0,0|2,0,0]=4 6885 B13R1.1876 COC(C)CN1C[C@H]([C@@H]1C)C(=O)O 3a53c80bdcace04cf7feea24b190521f [0,1,0,1,0,0|2,0,0]=4 6886 B13R1.1876 CO[C@@H](C)CN1CC(C1C)C(=O)O 7902edfffa16dc23990a30f57d08092e [0,1,0,1,0,0|2,0,0]=4 6887 B13R1.1876 CO[C@@H](C)CN1C[C@H]([C@@H]1C)C(=O)O 3ec97c2a100142d0490188962ee1c631 [0,1,0,1,0,0|2,0,0]=4 6888 B13R1.1876 CO[C@H](C)CN1CC(C1C)C(=O)O 1dfe54fb4e861833ef1f2d618c44c621 [0,1,0,1,0,0|2,0,0]=4 6889 B13R1.1876 CO[C@H](C)CN1C[C@H]([C@@H]1C)C(=O)O 3f452f636bd1951f025d39b862b3f277 [0,1,0,1,0,0|2,0,0]=4 6890 B13R1.1876 C[C@@H](CO)CN1C[C@H]([C@@H]1C)C(=O)O 1ae36ef0edbc885373acb3aaf00026d9 [0,1,0,1,0,0|2,0,0]=4 6891 B13R1.1876 C[C@H](CO)CN1C[C@H]([C@@H]1C)C(=O)O 9d197b7a502a1f9c61760da39d4eac73 [0,1,0,1,0,0|2,0,0]=4 6892 B13R1.1876 C[C@H]1[C@@H](CN1CC(O)CF)C(=O)O d60f4cc1774923d2aa1b2f2aceb7d5e9 [0,1,0,1,0,0|2,0,0]=4 6893 B13R1.1876 C[C@H]1[C@@H](CN1CC(O)CO)C(=O)O f11c27bac67a1629642e82fc2ce65430 [0,1,0,1,0,0|2,0,0]=4 6894 B13R1.1876 C[C@H]1[C@@H](CN1C[C@@H](O)CO)C(=O)O 6fe7a2dc0eed70f4e74a7643e096172c [0,1,0,1,0,0|2,0,0]=4 6895 B13R1.1876 C[C@H]1[C@@H](CN1C[C@H](O)CO)C(=O)O 2a54e1aa19d6609715b3f4daa51aef7d [0,1,0,1,0,0|2,0,0]=4 6896 B13R1.2679 CCC(C)OC1CCC(=O)CC1C 575bffa75b4aaef2ac409d30eb309aab [0,1,0,1,0,0|2,0,0]=4 6897 B13R1.2679 CCC(C)OC1CCC(=O)NC1C 0f226271d942b08becdd5059b3d6d846 [0,1,0,1,0,0|2,0,0]=4 6898 B13R1.6365 CCN(CCC(=O)N)CC1(CC1)C 46d40985181723cafa8a9e9ce054d962 [0,1,0,1,0,0|2,0,0]=4 6899 B13R1.6895 CC1(CCN(C1)CCC(=O)O)CO 4acdaa5ff60d84ac6583602cea5c8e34 [0,1,0,1,0,0|2,0,0]=4 6900 B13R1.6895 CCC1(CCN(C1)CCC(=O)C)C 558dbb2fdc040c28ed7f2be04a041a94 [0,1,0,1,0,0|2,0,0]=4 6901 B13R1.6895 CCC1(CCN(C1)CCC(=O)C)F 2f2352ab9549d7b3e33e2afb9eef9d2c [0,1,0,1,0,0|2,0,0]=4 6902 B13R1.6895 CCC1(CCN(C1)CCC(=O)N)C 542f1d9e2ec6f173083306ed5e16e951 [0,1,0,1,0,0|2,0,0]=4 6903 B13R1.6895 CCC1(CCN(C1)CCC(=O)N)F 668b77c7e320dd159dec52f542b5c99c [0,1,0,1,0,0|2,0,0]=4 6904 B13R1.6895 CCC1(CCN(C1)CCC(=O)O)C eaca9f4c63dc98a2b460574e9f4bbd38 [0,1,0,1,0,0|1,0,0]=3 6905 B13R1.6895 CCC1(CCN(C1)CCC(=O)O)F 0f7d918461dd7d5b86f18f37205b82dd [0,1,0,1,0,0|1,0,0]=3 6906 B13R1.6895 C[C@@]1(CCN(C1)CCC(=O)O)CO 3945abaf174c95bda8620675155d7740 [0,1,0,1,0,0|2,0,0]=4 6907 B13R1.6895 C[C@]1(CCN(C1)CCC(=O)O)CO 189cb284cd6554f28f7755d0bd8dd654 [0,1,0,1,0,0|2,0,0]=4 6908 B13R1.6895 O=C(O)CCN1CCC(C1)(O)CO 6f4150e77c59c54dd6f03133e7bbbd28 [0,1,0,1,0,0|2,0,0]=4 6909 B13R1.6895 O=C(O)CCN1CC[C@@](C1)(F)CO bcd3e5051f9335073a12c3ff35681272 [0,1,0,1,0,0|2,0,0]=4 6910 B13R1.58 CC(CC(=O)O)N1CCC(C1)CO 1367656853254c03b1543d96a84f4a10 [0,1,0,1,0,0|2,0,0]=4 6911 B13R1.58 CC(CC(=O)O)N1CC[C@@H](C1)CO 50f9757bd6c8e37b1d79027b533251f8 [0,1,0,1,0,0|2,0,0]=4 6912 B13R1.58 CC(CC(=O)O)N1CC[C@H](C1)CO 194087e162d475445b37463743d01721 [0,1,0,1,0,0|2,0,0]=4 6913 B13R1.58 CCC1CCN(C1)C(C)CC(=O)O 3813856d4488b50b135314edb4d7a833 [0,1,0,1,0,0|1,0,0]=3 6914 B13R1.58 CCN1CCC(C1)N(C)CC(=O)O 33a6e08e2b5a5d4b440bd584871be730 [0,1,0,1,0,0|2,0,0]=4 6915 B13R1.58 COC1CCN(C1)C(C)CC(=O)O cd98e36bb9a56fba55dfb7639f1de712 [0,1,0,1,0,0|2,0,0]=4 6916 B13R1.58 CO[C@@H]1CCN(C1)C(C)CC(=O)O 44acc3749b795904fdb9abc22ffb888a [0,1,0,1,0,0|2,0,0]=4 6917 B13R1.58 CO[C@H]1CCN(C1)C(C)CC(=O)O 5c8532387cff62a229965d8714943a05 [0,1,0,1,0,0|2,0,0]=4 6918 B13R1.58 CO[C@H]1CC[C@H](C1)N(C)CC(=O)O 223f4717b6920eb3fbecac220d086b6f [0,1,0,1,0,0|2,0,0]=4 6919 B13R1.132 CC(CC(=O)O)N1CCC(CC1)Cl 3f5325cb3e5ba3dbbfea39abf247def8 [0,1,0,1,0,0|2,0,0]=4 6920 B13R1.132 CC(CC(=O)O)N1CCC(CC1)I 24609ab970778fbcbf54ab44303d680c [0,1,0,1,0,0|2,0,0]=4 6921 B13R1.132 CC(CC(=O)O)N1CCC(CC1)O 6c71f540a31da1d5aa7a73373fb6a96c [0,1,0,1,0,0|2,0,0]=4 6922 B13R1.132 CC(CC(=O)O)N1CCN(CC1)C 4d6434a8836195ede44ff8e520fe0d84 [0,1,0,1,0,0|2,0,0]=4 6923 B13R1.132 CC1CCC(CC1)N(C)CC(=O)N 0bf6c59a6d2017bf3bc8b679800c0624 [0,1,0,1,0,0|2,0,0]=4 6924 B13R1.132 CC1CCC(CC1)N(C)CC(=O)O 99c92dea0ecd88c98028b05c4bbe01c5 [0,1,0,1,0,0|1,0,0]=3 6925 B13R1.132 CC1CCN(CC1)C(C)CC(=O)O 9d70476e63de3666b83b3417a2fcef15 [0,1,0,1,0,0|1,0,0]=3 6926 B13R1.132 CN(CC(=O)N)[C@H]1CC[C@@H](CC1)C 03d6afb3473e2a8c00f8c7296f6110e9 [0,1,0,1,0,0|2,0,0]=4 6927 B13R1.132 CN(CC(=O)O)C1CCC(CC1)O 699c42a514e285e9d6fdede31468bfca [0,1,0,1,0,0|2,0,0]=4 6928 B13R1.132 CN(CC(=O)O)[C@H]1CC[C@@H](CC1)C b43a12a06edb72d489ad39bd1e111e70 [0,1,0,1,0,0|1,0,0]=3 6929 B13R1.132 CN(CC(=O)O)[C@H]1CC[C@@H](CC1)O 0e20898fbcd9bc9d5deeb6c5b59734fe [0,1,0,1,0,0|2,0,0]=4 6930 B13R1.132 CN(CC(=O)O)[C@H]1CC[C@H](CC1)O ae950f90251fae6957cb698560e643df [0,1,0,1,0,0|2,0,0]=4 6931 B13R1.132 CN1CCC(CC1)N(C)CC(=O)O 9d005c3e63af875df4cfbc0f5a9b9ab8 [0,1,0,1,0,0|2,0,0]=4 6932 B13R1.201 CC(CC(=O)O)N1CCCC[C@@H]1C d557747000f4eb4eb8cd5872e3d1ca50 [0,1,0,1,0,0|1,0,0]=3 6933 B13R1.201 CC(CC(=O)O)N1CCCC[C@H]1C d9e18b2247e577698739cb99a0831fd0 [0,1,0,1,0,0|1,0,0]=3 6934 B13R1.201 CC(CC(=O)O)N1CCOC[C@@H]1C 81f08c6a9f9a52a4279367757fc56b4d [0,1,0,1,0,0|2,0,0]=4 6935 B13R1.201 CC(CC(=O)O)N1CCOC[C@H]1C af189d75873e724b2c23182d50b04fa8 [0,1,0,1,0,0|2,0,0]=4 6936 B13R1.201 CC1CCCCN1C(C)CC(=O)O de73d5acdeacbd35e290854606b9251f [0,1,0,1,0,0|1,0,0]=3 6937 B13R1.201 CC1COCCN1C(C)CC(=O)O 126ae8dea6a47b8c78033b1d5e9d92e1 [0,1,0,1,0,0|2,0,0]=4 6938 B13R1.201 CN(CC(=O)O)C1CCCCC1F 4cee4842c6293f06dc1678ba8679e720 [0,1,0,1,0,0|2,0,0]=4 6939 B13R1.201 CN(CC(=O)O)C1CCCCC1O 2fecf2dc59d4fc1afe11c696fe0f2dcd [0,1,0,1,0,0|2,0,0]=4 6940 B13R1.201 CN(CC(=O)O)[C@@H]1CCCC[C@H]1O 2c01eecb76e0725145d7a794cc983094 [0,1,0,1,0,0|2,0,0]=4 6941 B13R1.201 CN(CC(=O)O)[C@H]1CCCC[C@@H]1O 91373c175223cf7826d48bd1be8dd0ec [0,1,0,1,0,0|2,0,0]=4 6942 B13R1.201 CN(CC(=O)O)[C@H]1CCCC[C@H]1O 15ae9348ef8664596a56312fbaee9171 [0,1,0,1,0,0|2,0,0]=4 6943 B13R1.201 C[C@@H]1CCCC[C@@H]1N(C)CC(=O)N a171ba82f2bf442d3604fccc384be038 [0,1,0,1,0,0|2,0,0]=4 6944 B13R1.201 C[C@@H]1CCCC[C@@H]1N(C)CC(=O)O ae789d51c7fb1c7a9de6c318134e764e [0,1,0,1,0,0|1,0,0]=3 6945 B13R1.1601 CCCCN1[C@@H](CC(=O)C[C@@H]1C)C 21b0925854d17bb8e6fb9408b07649e2 [0,1,0,1,0,0|2,0,0]=4 6946 B13R1.2687 CCN(CC1CC1)C(C)CC(=O)O 7aca506ccb322215731ce734910219f9 [0,1,0,1,0,0|1,0,0]=3 6947 B13R1.2732 CC(CC(=O)O)N(CF)C1CCC1 db66ba6b439cb5a4754a2fbc27119193 [0,1,0,1,0,0|2,0,0]=4 6948 B13R1.2732 CC(CC(=O)O)N(CO)C1CCC1 7a129bd3337264caea83afac23fddc71 [0,1,0,1,0,0|2,0,0]=4 6949 B13R1.2732 CCN(C(C)CC(=O)O)C1CCC1 fd9ca916f210af8d4e248f356981dcd1 [0,1,0,1,0,0|1,0,0]=3 6950 B13R1.2732 CCN(C(C)CC(=O)O)C1COC1 2df7421b0cee789e024ab37c2ae35ecb [0,1,0,1,0,0|2,0,0]=4 6951 B13R1.3089 CCC1COC(CN1CC(=O)O)C f4d8a92e29c901fa77f9d5cbd1e933d0 [0,1,0,1,0,0|2,0,0]=4 6952 B13R1.5895 CC(CC(=O)O)N1CCC(C1C)O a08cc1a3cbeb8112f4e002512a6784fc [0,1,0,1,0,0|2,0,0]=4 6953 B13R1.5895 CC(CC(=O)O)N1CC[C@@H]([C@@H]1C)O e1ae5a750b4d5e1a85fa29e8e288f0c5 [0,1,0,1,0,0|2,0,0]=4 6954 B13R1.5895 CC(CC(=O)O)N1CC[C@H]([C@H]1C)O 23cf26548928d68989667ec26c131937 [0,1,0,1,0,0|2,0,0]=4 6955 B13R1.7456 CC(CC(=O)O)N1CCCCCC1 01be499ad3f4829fb319272c59f7bd5f [0,1,0,1,0,0|1,0,0]=3 6956 B13R1.7456 CC(CC(=O)O)N1CCCOCC1 50a2f9a21774d5f5fd1afbdec94a8e69 [0,1,0,1,0,0|2,0,0]=4 6957 B13R1.7456 CN(CC(=O)N)C1CCCCCC1 8f292a31b27f82cc3678f6fef1be62db [0,1,0,1,0,0|2,0,0]=4 6958 B13R1.7456 CN(CC(=O)O)C1CCCCCC1 a09d437bc99ee6ec05063f34e9bf2820 [0,1,0,1,0,0|1,0,0]=3 6959 B13R1.14 C#CC(=O)NCC1CCC(CC1)C 27dc424edd0c60c7c20fcabecfa432af [0,1,0,1,0,0|2,0,0]=4 6960 B13R1.14 C=C(C=O)OCC1CCC(CC1)C 2c3d2eb52dd476a9402049c4c21a65e4 [0,1,0,1,0,0|2,0,0]=4 6961 B13R1.14 C=C(CNC1CCC(CC1)C)OC 7d87ce6d30b4fa4dfc132f6da8889bee [0,1,0,1,0,0|2,0,0]=4 6962 B13R1.14 C=C(CN[C@H]1CC[C@@H](CC1)C)OC 5fb265ac9c6d1bf0238c0df547295d11 [0,1,0,1,0,0|2,0,0]=4 6963 B13R1.14 C=C(CN[C@H]1CC[C@H](CC1)C)OC 7e69b544c69e3c232eb1b30d862b57e9 [0,1,0,1,0,0|2,0,0]=4 6964 B13R1.14 C=C(CO)CNC1CCC(CC1)C be2e7647a207911e7ce9dcbed967fefc [0,1,0,1,0,0|2,0,0]=4 6965 B13R1.14 C=C(CO)CN[C@H]1CC[C@@H](CC1)C 99e79d14563903d2ab63235f64504e1e [0,1,0,1,0,0|2,0,0]=4 6966 B13R1.14 C=C(CO)CN[C@H]1CC[C@H](CC1)C a8ab981d250986a465cc50498da3de2a [0,1,0,1,0,0|2,0,0]=4 6967 B13R1.14 C=C(COC1CCC(CC1)C)OC b0e65f5c8a6e46690d352a014bd9300e [0,1,0,1,0,0|2,0,0]=4 6968 B13R1.14 C=C(CO[C@H]1CC[C@@H](CC1)C)OC 888452af8b35574feecd070ca1cfdca9 [0,1,0,1,0,0|2,0,0]=4 6969 B13R1.14 C=C(CO[C@H]1CC[C@H](CC1)C)OC 750847fa713de58198d7cbd3695e8d86 [0,1,0,1,0,0|2,0,0]=4 6970 B13R1.14 C=CC(=O)NCC1CCC(CC1)C e22a25d4a91b516b711bec878ecae1f5 [0,1,0,1,0,0|2,0,0]=4 6971 B13R1.14 CC1CCC(CC1)CNC(=O)C=O cd7abe743e340fb0d920369b1376a16f [0,1,0,1,0,0|1,0,1]=4 6972 B13R1.14 CC1CCC(CC1)CNC(=O)CF bbd263f1f49502c243fc08c32ac75852 [0,1,0,1,0,0|2,0,0]=4 6973 B13R1.14 CC1CCC(CC1)CNC(=O)CO c1e32e99c769b4f5c0d56a31f459d2fb [0,1,0,1,0,0|1,0,0]=3 6974 B13R1.14 CC1CCC(CC1)CNC(=O)CS 8fb48651e7d7944451b4e9a410d90e54 [0,1,0,1,0,0|1,1,0]=4 6975 B13R1.14 CC1CCC(CC1)NCC(=O)CO 4feb5402e25e07ddc438c410c6e26e23 [0,1,0,1,0,0|1,0,0]=3 6976 B13R1.14 CCC(=O)CNC1CCC(CC1)C f7832797e48ae398f426c264f005b162 [0,1,0,1,0,0|2,0,0]=4 6977 B13R1.14 CCC(=O)CN[C@H]1CC[C@@H](CC1)C 160349680beeed6cdde072761724471b [0,1,0,1,0,0|2,0,0]=4 6978 B13R1.14 CCC(=O)CN[C@H]1CC[C@H](CC1)C 9cc06f657f0fa8bc318ce436ce7b27ea [0,1,0,1,0,0|2,0,0]=4 6979 B13R1.14 CCC(=O)COC1CCC(CC1)C 42d8b6f423de946ea36680c6b313b0b5 [0,1,0,1,0,0|2,0,0]=4 6980 B13R1.14 CCC(=O)CO[C@H]1CC[C@@H](CC1)C 14b41edcaca2ff35911b0671d3010077 [0,1,0,1,0,0|2,0,0]=4 6981 B13R1.14 CCC(=O)CO[C@H]1CC[C@H](CC1)C 55b84edf0f5e060b03addb912c6ea47c [0,1,0,1,0,0|2,0,0]=4 6982 B13R1.14 CCC(=O)NCC1CCC(CC1)C da4cca74552dd7ab52bc9044211fd911 [0,1,0,1,0,0|2,0,0]=4 6983 B13R1.14 CN1CCC(CC1)CNC(=O)CO 98bb7104e1fa1d1141d98ffa608b971e [0,1,0,1,0,0|2,0,0]=4 6984 B13R1.14 CN1CCC(CC1)NCC(=O)CO 27e2a8b2accde807e351300be5d8bb3b [0,1,0,1,0,0|2,0,0]=4 6985 B13R1.14 CN1CCC(CC1)NCC(=O)NO 2d46840647348810cc308b1f616aeee4 [0,1,0,1,0,0|2,0,0]=4 6986 B13R1.14 CNC(=O)CCN1CCC(CC1)C acae9549629cfc356a653c855beed80d [0,1,0,1,0,0|2,0,0]=4 6987 B13R1.14 CNC(=O)CNC1CCC(CC1)C 607ef1e814fb01378853ef7a1c749704 [0,1,0,1,0,0|2,0,0]=4 6988 B13R1.14 CNC(=O)CN[C@H]1CC[C@@H](CC1)C b3338dcd227a99eebbf6a60153fcca8f [0,1,0,1,0,0|2,0,0]=4 6989 B13R1.14 CNC(=O)CN[C@H]1CC[C@H](CC1)C 1df5eb96542ee9917414543ee453a77a [0,1,0,1,0,0|2,0,0]=4 6990 B13R1.14 CNC(=O)COC1CCC(CC1)C 64b766cc564fe43a48760c61e3db08c6 [0,1,0,1,0,0|2,0,0]=4 6991 B13R1.14 CNC(=O)CO[C@H]1CC[C@@H](CC1)C 0bc854b0df299e85eff9f0974333a274 [0,1,0,1,0,0|2,0,0]=4 6992 B13R1.14 CNC(=O)CO[C@H]1CC[C@H](CC1)C 0a45a21be02c36df099d4194ce65cc46 [0,1,0,1,0,0|2,0,0]=4 6993 B13R1.14 COC(=O)CCN1CCC(CC1)C 2e31123abe2a788a9e6802d628fa8909 [0,1,0,1,0,0|1,0,0]=3 6994 B13R1.14 COC(=O)CCN1CCC(CC1)Cl e902b76f5be198ac51f1466bdef80979 [0,1,0,1,0,0|2,0,0]=4 6995 B13R1.14 COC(=O)CCN1CCC(CC1)F dc2aaea8ca89a6eee088c84d6de2a60a [0,1,0,1,0,0|2,0,0]=4 6996 B13R1.14 COC(=O)CCN1CCC(CC1)I 35cf86f06c77fbe265425c8cb53cf884 [0,1,0,1,0,0|2,0,0]=4 6997 B13R1.14 COC(=O)CCN1CCC(CC1)O dbefbfa9e2025525cc1ff0d7231b2502 [0,1,0,1,0,0|2,0,0]=4 6998 B13R1.14 COC(=O)CCN1CCN(CC1)C 0c68bc873ff8bdffdf87d89b02cfccf9 [0,1,0,1,0,0|2,0,0]=4 6999 B13R1.14 COC(=O)CNC1CCC(CC1)C 37e4d97b039f9c54aa53be08fff33831 [0,1,0,1,0,0|1,0,0]=3 7000 B13R1.14 COC(=O)CNC1CCC(CC1)Cl 12e88baaad5a415abbb6bfa7b2d7c952 [0,1,0,1,0,0|2,0,0]=4 7001 B13R1.14 COC(=O)CNC1CCC(CC1)O 48d57d704e8420d189477013465a06d3 [0,1,0,1,0,0|2,0,0]=4 7002 B13R1.14 COC(=O)CNC1CCN(CC1)C 58bc72e4306fd79e92c3d3e2ab432fa2 [0,1,0,1,0,0|2,0,0]=4 7003 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C ee331f0af35d7e9410adfd4c25b8db3b [0,1,0,1,0,0|1,0,0]=3 7004 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)Cl 54c8507ba4278c9c624f8067bf5baaee [0,1,0,1,0,0|2,0,0]=4 7005 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)O 70f4357754bb3c71dad798d04929ce8f [0,1,0,1,0,0|2,0,0]=4 7006 B13R1.14 COC(=O)CN[C@H]1CC[C@H](CC1)C 460b31f38e5069b08e1a92320cdadc61 [0,1,0,1,0,0|1,0,0]=3 7007 B13R1.14 COC(=O)CN[C@H]1CC[C@H](CC1)Cl de6052ca334f36b66d7956d081483c7d [0,1,0,1,0,0|2,0,0]=4 7008 B13R1.14 COC(=O)CN[C@H]1CC[C@H](CC1)O 142a71165e55302c80cc0d83e02aef04 [0,1,0,1,0,0|2,0,0]=4 7009 B13R1.14 COC(=O)COC1CCC(CC1)C 2af4f4f3baca3a945a2d34758b20e205 [0,1,0,1,0,0|1,0,0]=3 7010 B13R1.14 COC(=O)COC1CCC(CC1)F 7f69ddfb8748f2d2b1fd0dafe063509a [0,1,0,1,0,0|2,0,0]=4 7011 B13R1.14 COC(=O)COC1CCN(CC1)C 4d3cb9560f04fd5df1f3d067baf3f18a [0,1,0,1,0,0|2,0,0]=4 7012 B13R1.14 COC(=O)CO[C@H]1CC[C@@H](CC1)C ce1a87c3d02e200ee0ebb62dcb03087f [0,1,0,1,0,0|1,0,0]=3 7013 B13R1.14 COC(=O)CO[C@H]1CC[C@H](CC1)C 7f45679bc14b2739a5c66dcc20d81719 [0,1,0,1,0,0|1,0,0]=3 7014 B13R1.14 COC(=O)OCN1CCC(CC1)C 5059efb7e93c8e4fdb56beb3da8bb246 [0,1,0,1,0,0|2,0,0]=4 7015 B13R1.14 C[C@H]1CC[C@@H](CC1)NCC(=O)CO b86fb70371dedeccc43c18aa5320e4cc [0,1,0,1,0,0|1,0,0]=3 7016 B13R1.14 C[C@H]1CC[C@H](CC1)NCC(=O)CO 651dc9a026b9b7b3eef5ebd0bc2598e0 [0,1,0,1,0,0|1,0,0]=3 7017 B13R1.14 O=C(CNC1CCC(CC1)O)NO 3b36db52e42e9cc04f70e8769613a4e5 [0,1,0,1,0,0|2,0,0]=4 7018 B13R1.14 O=C(CO)CNC1CCC(CC1)Cl 8090cd6098ed45c429f3bd551c4756cf [0,1,0,1,0,0|2,0,0]=4 7019 B13R1.14 O=C(CO)CNC1CCC(CC1)O 4abd5bfe7f21a132f477ee4e488ea4cc [0,1,0,1,0,0|2,0,0]=4 7020 B13R1.14 O=C(CO)CN[C@H]1CC[C@@H](CC1)Cl 3df0b87442f4ded955dafa13d95c7fec [0,1,0,1,0,0|2,0,0]=4 7021 B13R1.14 O=C(CO)CN[C@H]1CC[C@@H](CC1)O ebe6823e532653aae56aba247392ea59 [0,1,0,1,0,0|2,0,0]=4 7022 B13R1.14 O=C(CO)CN[C@H]1CC[C@H](CC1)Cl 2f2d17f63cc7f40e0e4db3f56836b6b3 [0,1,0,1,0,0|2,0,0]=4 7023 B13R1.14 O=C(CO)CN[C@H]1CC[C@H](CC1)O 67a233ecc025d507ab756a937e873045 [0,1,0,1,0,0|2,0,0]=4 7024 B13R1.14 O=C(CO)NCC1CCC(CC1)Cl 908495b50075725aadeb0a0cf94150ed [0,1,0,1,0,0|2,0,0]=4 7025 B13R1.14 O=C(CO)NCC1CCC(CC1)O 25ff7bd12488832d768922c079b86929 [0,1,0,1,0,0|2,0,0]=4 7026 B13R1.14 O=C(CO)NC[C@H]1CC[C@@H](CC1)F 01a94529f796a499a044bb72e9caa55d [0,1,0,1,0,0|2,0,0]=4 7027 B13R1.14 O=C(CO)NC[C@H]1CC[C@@H](CC1)O 3aae17f241350e086c547a3588c94f5f [0,1,0,1,0,0|2,0,0]=4 7028 B13R1.14 O=C(CO)NC[C@H]1CC[C@H](CC1)F 261729e908aef968dbef363e60bf4ee1 [0,1,0,1,0,0|2,0,0]=4 7029 B13R1.61 CCC1CCN(C1)CCC(=O)NC 02330d0a0fd8f7ea4121e32d92eb487a [0,1,0,1,0,0|2,0,0]=4 7030 B13R1.61 CCC1CCN(C1)CCC(=O)OC c5a1f2335f94018d0cb86d6879900bd7 [0,1,0,1,0,0|1,0,0]=3 7031 B13R1.61 CCC1CCN(C1)COC(=O)OC 3b05b85bb299e5e063f035542e58e605 [0,1,0,1,0,0|2,0,0]=4 7032 B13R1.61 CCN1CCC(C1)CNC(=O)CO c244a2a65cf6cba06fdc59d11058d793 [0,1,0,1,0,0|2,0,0]=4 7033 B13R1.61 CCN1CCC(C1)NCC(=O)CO 85a978cbf59bc01097901cdea60067cd [0,1,0,1,0,0|2,0,0]=4 7034 B13R1.61 CCN1CCC(C1)NCC(=O)NO 62fd90300a141e3780eb98504425e68b [0,1,0,1,0,0|2,0,0]=4 7035 B13R1.61 CCN1CCC(C1)NCC(=O)OC 106c68d021843e69f0cbfb499b468f62 [0,1,0,1,0,0|2,0,0]=4 7036 B13R1.61 CCN1CCC(C1)OCC(=O)OC 11e658581909399eff4dbbd4a0b99e1c [0,1,0,1,0,0|2,0,0]=4 7037 B13R1.61 CCN1CC[C@@H](C1)NCC(=O)CO 523888f686391581e5c39ac1114d86f7 [0,1,0,1,0,0|2,0,0]=4 7038 B13R1.61 CCN1CC[C@@H](C1)NCC(=O)OC 98aed02839985d33c62bea758a0ba836 [0,1,0,1,0,0|2,0,0]=4 7039 B13R1.61 CCN1CC[C@H](C1)CNC(=O)CO f8b323080cf7a82d9eafb15f67ffe5a3 [0,1,0,1,0,0|2,0,0]=4 7040 B13R1.61 CCN1CC[C@H](C1)NCC(=O)CO 1ef7c30072a77c87e36d7be6aeddc420 [0,1,0,1,0,0|2,0,0]=4 7041 B13R1.61 CCN1CC[C@H](C1)NCC(=O)OC 1d97ecacc895781ac7fc4aabf3e35352 [0,1,0,1,0,0|2,0,0]=4 7042 B13R1.61 COC(=O)CCN1CCC(C1)CO fa2716c6ddf51e49df57e64a33eab595 [0,1,0,1,0,0|2,0,0]=4 7043 B13R1.61 COC(=O)CCN1CCC(C1)OC 7259d3e139b89b3f0af7865f8564f672 [0,1,0,1,0,0|2,0,0]=4 7044 B13R1.61 COC(=O)CCN1CC[C@@H](C1)CO 324168d4560392c92534b3ee16c71339 [0,1,0,1,0,0|2,0,0]=4 7045 B13R1.61 COC(=O)CCN1CC[C@@H](C1)OC f83beef2949d078ccd10e456c65da40c [0,1,0,1,0,0|2,0,0]=4 7046 B13R1.61 COC(=O)CCN1CC[C@H](C1)CO bc9e20e1bd6c8e9285a2a8fb72f244f9 [0,1,0,1,0,0|2,0,0]=4 7047 B13R1.61 COC(=O)CCN1CC[C@H](C1)OC 245461c315ae84dd42574de68ce70d75 [0,1,0,1,0,0|2,0,0]=4 7048 B13R1.61 COC(=O)CNC1CCC(C1)CO 951088e7f01fb6c227a9b1dd9b1544c4 [0,1,0,1,0,0|2,0,0]=4 7049 B13R1.61 COC(=O)CNC1CCC(C1)OC 2e3a341b0cc61ed35687196518c95526 [0,1,0,1,0,0|2,0,0]=4 7050 B13R1.61 COC(=O)CN[C@@H]1CC[C@@H](C1)CO 43fa9ced053d3ffcc2ee3adf6998a8cc [0,1,0,1,0,0|2,0,0]=4 7051 B13R1.61 COC(=O)CN[C@@H]1CC[C@@H](C1)OC 80c2db6c9e1465dfe23b81bc663adcaa [0,1,0,1,0,0|2,0,0]=4 7052 B13R1.61 COC(=O)CN[C@@H]1CC[C@H](C1)CO dde1f1b47f2107c47c4d997e9b075a07 [0,1,0,1,0,0|2,0,0]=4 7053 B13R1.61 COC(=O)CN[C@H]1CC[C@@H](C1)CO 98354a52e9d52eafd22d1a49ba15ec87 [0,1,0,1,0,0|2,0,0]=4 7054 B13R1.61 COC(=O)CN[C@H]1CC[C@H](C1)CO c3c101a2a33c0bfcea80aea67320eb36 [0,1,0,1,0,0|2,0,0]=4 7055 B13R1.61 COC(=O)COC1CCC(C1)OC e3ffd05b722c21b8bfedd0a515de9c99 [0,1,0,1,0,0|2,0,0]=4 7056 B13R1.61 COC(=O)CO[C@@H]1CC[C@H](C1)OC 05ee5ae21aa84eb2370fa92a42df6e63 [0,1,0,1,0,0|2,0,0]=4 7057 B13R1.61 COC(=O)CO[C@H]1CC[C@H](C1)OC 6d7d499a7a7300d2bab52f2905c05671 [0,1,0,1,0,0|2,0,0]=4 7058 B13R1.61 CO[C@H]1CC[C@H](C1)NCC(=O)CO 26decef27dab259878d8c593e13c5e25 [0,1,0,1,0,0|2,0,0]=4 7059 B13R1.61 O=C(CO)CNC1CCC(C1)CO 7899dcc2848b27d02aacd20a8e74e8c5 [0,1,0,1,0,0|2,0,0]=4 7060 B13R1.61 O=C(CO)CN[C@@H]1CC[C@@H](C1)CO 594babb665144bf39fde591c5ed7d70b [0,1,0,1,0,0|2,0,0]=4 7061 B13R1.61 O=C(CO)CN[C@@H]1CC[C@H](C1)CO c50aab85fca27cca2cea03e98ab2e030 [0,1,0,1,0,0|2,0,0]=4 7062 B13R1.61 O=C(CO)CN[C@H]1CC[C@@H](C1)CO 0bc0b26ebef2e0841ca11bb23878811b [0,1,0,1,0,0|2,0,0]=4 7063 B13R1.61 O=C(CO)CN[C@H]1CC[C@H](C1)CO fb8dc894c2a48570253d5b59668d4820 [0,1,0,1,0,0|2,0,0]=4 7064 B13R1.91 C=C(CN1CCCCC1CC)OC f6aceb7324175d7a1146295b0b2f0284 [0,1,0,1,0,0|2,0,0]=4 7065 B13R1.91 C=C(CN1CCCC[C@@H]1CC)OC 2005187c9a6fe9d065517b0cb4278ff9 [0,1,0,1,0,0|2,0,0]=4 7066 B13R1.91 C=C(CN1CCCC[C@H]1CC)OC 106f143c7f9e57441e5b3d65b2e4e6e8 [0,1,0,1,0,0|2,0,0]=4 7067 B13R1.91 C=C(CO)CN1CCCCC1CC 577e1f89282647614a5ab41980610781 [0,1,0,1,0,0|2,0,0]=4 7068 B13R1.91 C=C(CO)CN1CCCC[C@@H]1CC 39eab1e8952717e9df255aa06ca81460 [0,1,0,1,0,0|2,0,0]=4 7069 B13R1.91 C=C(CO)CN1CCCC[C@H]1CC 995a3b4937535c1fe26dc91a6cdbe7d6 [0,1,0,1,0,0|2,0,0]=4 7070 B13R1.91 CCC(=O)CN1CCCCC1CC 1e5be550c69cf00717f64e9141227746 [0,1,0,1,0,0|2,0,0]=4 7071 B13R1.91 CCC(=O)CN1CCCC[C@@H]1CC b8de90ff68aee2e5c47a8a06a965c5b1 [0,1,0,1,0,0|2,0,0]=4 7072 B13R1.91 CCC(=O)CN1CCCC[C@H]1CC 87944abd185380fc6c6a108c5e31d7ea [0,1,0,1,0,0|2,0,0]=4 7073 B13R1.91 CCC1CCCCN1CC(=O)CO 4f9b9084142e240a6dcb9dd351fcd4ad [0,1,0,1,0,0|1,0,0]=3 7074 B13R1.91 CCC1CCCCN1CC(=O)NC c5def15eac9241fa71dec2167e8ecb9b [0,1,0,1,0,0|2,0,0]=4 7075 B13R1.91 CCC1CCCCN1CC(=O)OC ae57dc92552ff99169616955f8e95c37 [0,1,0,1,0,0|1,0,0]=3 7076 B13R1.91 CCC1COCCC1NC(=O)CO a1d6e64e5ca740a11143cb195c4e0ae0 [0,1,0,1,0,0|2,0,0]=4 7077 B13R1.91 CCC1COCCN1CC(=O)CO c1553e21ca88363d8f2dee59a8f8f40f [0,1,0,1,0,0|2,0,0]=4 7078 B13R1.91 CCC1COCCN1CC(=O)OC 0430235f0a609c89420ac27b816db3e5 [0,1,0,1,0,0|2,0,0]=4 7079 B13R1.91 CCN1CCOCC1CC(=O)OC 3357274196951fb6b2099d660503b6ec [0,1,0,1,0,0|2,0,0]=4 7080 B13R1.91 CCN1CCOC[C@@H]1CC(=O)OC 7a6fb49e72a8e22ec71ef832a7c12225 [0,1,0,1,0,0|2,0,0]=4 7081 B13R1.91 CCN1CCOC[C@H]1CC(=O)OC 373a41bc926fac8439b105c954e2c4e1 [0,1,0,1,0,0|2,0,0]=4 7082 B13R1.91 CC[C@@H]1CCCCN1CC(=O)CO e91a1d6d868c948e4eff2a823f81f93b [0,1,0,1,0,0|1,0,0]=3 7083 B13R1.91 CC[C@@H]1CCCCN1CC(=O)NC 986a1ee18557fcc0bb96395886dc7729 [0,1,0,1,0,0|2,0,0]=4 7084 B13R1.91 CC[C@@H]1CCCCN1CC(=O)OC 50295193b9e1a7467a9f409f4aa6e127 [0,1,0,1,0,0|1,0,0]=3 7085 B13R1.91 CC[C@@H]1COCCN1CC(=O)CO 68a3d428fdd8008ced2c494a7c9e1a51 [0,1,0,1,0,0|2,0,0]=4 7086 B13R1.91 CC[C@@H]1COCCN1CC(=O)OC 7494ccbc623dc8404e71c4105d2d35f1 [0,1,0,1,0,0|2,0,0]=4 7087 B13R1.91 CC[C@H]1CCCCN1CC(=O)CO 2061939cb7b0aadbe82180338e092c70 [0,1,0,1,0,0|1,0,0]=3 7088 B13R1.91 CC[C@H]1CCCCN1CC(=O)NC e7879fa0bbf54035c8e17548335348cf [0,1,0,1,0,0|2,0,0]=4 7089 B13R1.91 CC[C@H]1CCCCN1CC(=O)OC 86af25905e294271b35d9d8e318ef66e [0,1,0,1,0,0|1,0,0]=3 7090 B13R1.91 CC[C@H]1COCCN1CC(=O)CO 16309669da32f9a85d9001fb1aa6c380 [0,1,0,1,0,0|2,0,0]=4 7091 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 9d286a2ccc425df40725583d25c8eedc [0,1,0,1,0,0|2,0,0]=4 7092 B13R1.91 COC(=O)CN1CCCCC1CO 3f3bb7c54f0d1fb0d9d413ec3a7c86b7 [0,1,0,1,0,0|2,0,0]=4 7093 B13R1.91 COC(=O)CN1CCCC[C@@H]1CO b10393410a48d8b2d1bfc3348315272e [0,1,0,1,0,0|2,0,0]=4 7094 B13R1.91 COC(=O)CN1CCCC[C@H]1CO 69ea30c085d8968621c82514d2ded199 [0,1,0,1,0,0|2,0,0]=4 7095 B13R1.91 COC1CCCCC1NC(=O)CO 0dfd2700b8e4c53e761f9162add2328a [0,1,0,1,0,0|2,0,0]=4 7096 B13R1.91 CO[C@H]1CCCC[C@@H]1NC(=O)CO 363e90581fa391ecab2caaa222433a2a [0,1,0,1,0,0|2,0,0]=4 7097 B13R1.91 O=C(CO)CN1CCCCC1CO a2613563d535ed444552b7311b683b90 [0,1,0,1,0,0|2,0,0]=4 7098 B13R1.91 O=C(CO)CN1CCCC[C@@H]1CO 9d65ed92047f10fe7d8b9630eaaf5fe8 [0,1,0,1,0,0|2,0,0]=4 7099 B13R1.91 O=C(CO)CN1CCCC[C@H]1CO ac0095ea295fa967e13baeda9ffb43b1 [0,1,0,1,0,0|2,0,0]=4 7100 B13R1.91 O=C(CO)N[C@@H]1CCCC[C@@H]1CO 7c49a0707a399f3c44d5d5f7b10837ba [0,1,0,1,0,0|2,0,0]=4 7101 B13R1.91 O=C(CO)N[C@@H]1CCCC[C@H]1CO 55289095b2ceabd31a7f5235bf0a9ba5 [0,1,0,1,0,0|2,0,0]=4 7102 B13R1.91 O=C(CO)N[C@H]1CCCC[C@H]1CO 84258fc75f782cf2a9b46066b4a06485 [0,1,0,1,0,0|2,0,0]=4 7103 B13R1.222 COC(=O)CCN1CCC1CCO c42d5a5d5dccc74e1c5f6f41e6400a11 [0,1,0,1,0,0|2,0,0]=4 7104 B13R1.222 COCC1CCN1CCC(=O)OC a754e668a1700f051c4878ab4933b063 [0,1,0,1,0,0|2,0,0]=4 7105 B13R1.222 COC[C@@H]1CCN1CCC(=O)OC 0672b51629fd6a15298a8d21ed77174e [0,1,0,1,0,0|2,0,0]=4 7106 B13R1.222 COC[C@H]1CCN1CCC(=O)OC 9e13a515765d4fbcde028d8e3d7240e0 [0,1,0,1,0,0|2,0,0]=4 7107 B13R1.495 CCCCN1CCC(C1)C(=O)NC 2d979c63d5a43d59cf12f4b53c310c28 [0,1,0,1,0,0|2,0,0]=4 7108 B13R1.495 CCCCN1CCC(C1)C(=O)OC 5aa322f56529f9ab2d112d9abd0b382b [0,1,0,1,0,0|1,0,0]=3 7109 B13R1.495 CCCCN1CC[C@@H](C1)C(=O)OC bc78557edcedebf0c580954d29a5bccf [0,1,0,1,0,0|1,0,0]=3 7110 B13R1.495 CCCCN1CC[C@H](C1)C(=O)OC a2d89f098fd936d284fe533f11ff50e4 [0,1,0,1,0,0|1,0,0]=3 7111 B13R1.495 CCCNC1CCC(C1)C(=O)OC 43b1c83ac38864c56630c46d180fe652 [0,1,0,1,0,0|1,0,0]=3 7112 B13R1.495 CCCN[C@H]1CC[C@@H](C1)C(=O)OC 7242569d728e48fdeafe7b1f4af47d5c [0,1,0,1,0,0|1,0,0]=3 7113 B13R1.495 CCCOC1CCC(C1)C(=O)OC 34db668a3e63874a2aae57d4ad0ab5e6 [0,1,0,1,0,0|1,0,0]=3 7114 B13R1.495 CCCOC1CCN(C1)C(=O)CO c3d0be003eb3b16d16b54b84bc05755f [0,1,0,1,0,0|2,0,0]=4 7115 B13R1.495 CCCO[C@@H]1CCN(C1)C(=O)CO b7f27f33a1980481bef825f3a55c715a [0,1,0,1,0,0|2,0,0]=4 7116 B13R1.495 CCCO[C@@H]1CC[C@@H](C1)C(=O)OC 6573ae58184c3aff438150786b296d6c [0,1,0,1,0,0|1,0,0]=3 7117 B13R1.495 CCCO[C@@H]1CC[C@H](C1)C(=O)OC 3616b42864123ab911d4c010c7e8be83 [0,1,0,1,0,0|1,0,0]=3 7118 B13R1.495 CCCO[C@H]1CCN(C1)C(=O)CO fe571b6fafae2c6c3af68be5973ef3be [0,1,0,1,0,0|2,0,0]=4 7119 B13R1.495 CCCO[C@H]1CC[C@@H](C1)C(=O)OC 1dc7ff2feef978cde459c45f2a414508 [0,1,0,1,0,0|1,0,0]=3 7120 B13R1.495 CCCO[C@H]1CC[C@H](C1)C(=O)OC a9252595eec3bf3ed2b1b80586ecab42 [0,1,0,1,0,0|1,0,0]=3 7121 B13R1.495 CCOCC1CCC(O1)C(=O)OC b85dc5769201c1da296bc43e7602b3b9 [0,1,0,1,0,0|2,0,0]=4 7122 B13R1.495 CCOCC1CCN(C1)C(=O)CO a3ea568258dcd099e939494d9160745e [0,1,0,1,0,0|2,0,0]=4 7123 B13R1.495 CCOCN1CCC(C1)C(=O)OC 415563455aced52b6884a75b87abc1ce [0,1,0,1,0,0|2,0,0]=4 7124 B13R1.495 CCOCN1CC[C@@H](C1)C(=O)OC a47ccefb9dffe0500ede0c2cc4cd7bd2 [0,1,0,1,0,0|2,0,0]=4 7125 B13R1.495 CCOCN1CC[C@H](C1)C(=O)OC 093470a596af7d138fe8749955a40d90 [0,1,0,1,0,0|2,0,0]=4 7126 B13R1.495 CCOC[C@H]1CC[C@H](C1)C(=O)OC c4090003a5426510673a9a0504dea320 [0,1,0,1,0,0|1,0,0]=3 7127 B13R1.495 COC(=O)C1CCC(C1)NCCBr a2e13fe74bbbccff3e3275aeb0757cc9 [0,1,0,1,0,0|2,0,0]=4 7128 B13R1.495 COC(=O)C1CCC(C1)NCCF 78dff7e205a81901af9776492c047f4a [0,1,0,1,0,0|2,0,0]=4 7129 B13R1.495 COC(=O)C1CCC(C1)NCCI 0e26bffb0295fbc494074982df698aba [0,1,0,1,0,0|2,0,0]=4 7130 B13R1.495 COC(=O)C1CCC(C1)NCCO e3d7b774aba6cad73ce9925fd34a1155 [0,1,0,1,0,0|2,0,0]=4 7131 B13R1.495 COC(=O)C1CCC(C1)NCCS a6b7473e5795fb413e3cfa1360a78f33 [0,1,0,1,0,0|2,0,0]=4 7132 B13R1.495 COC(=O)C1CCC(C1)OCCF 144d2b515ae96177acec1de253829d26 [0,1,0,1,0,0|2,0,0]=4 7133 B13R1.495 COC(=O)C1CCC(C1)OCCS e50e8387d08075cebc5714b212156a34 [0,1,0,1,0,0|2,0,0]=4 7134 B13R1.495 COC(=O)C1CCC(C1)OCSC 403c895d844df3f61e11c7c1c7af6f64 [0,1,0,1,0,0|2,0,0]=4 7135 B13R1.495 COC(=O)C1CCN(C1)CCCF 6971a09f2d96b20805035c4faa25fd08 [0,1,0,1,0,0|2,0,0]=4 7136 B13R1.495 COC(=O)C1CCN(C1)CCCO e0d09e5e442c2e09a0f2049484c13e25 [0,1,0,1,0,0|2,0,0]=4 7137 B13R1.495 COC(=O)C1CCN(C1)CCCS 5a4aad14127535041f5bf6bbb47d6b85 [0,1,0,1,0,0|2,0,0]=4 7138 B13R1.495 COC(=O)C1CCN(C1)CCSC ee455a2486814038a2391d2d0a5a68f0 [0,1,0,1,0,0|2,0,0]=4 7139 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCF e20dd7d7316a5af9085a961f5c4d0258 [0,1,0,1,0,0|2,0,0]=4 7140 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCO 6fa15b6f4a7ca1dc6238dae6120ed082 [0,1,0,1,0,0|2,0,0]=4 7141 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCCS c02eca373ffaf32ad4193f26b7638319 [0,1,0,1,0,0|2,0,0]=4 7142 B13R1.495 COC(=O)[C@@H]1CCN(C1)CCSC 5f5d1b4893e54ada6b88d3dc7492f1a9 [0,1,0,1,0,0|2,0,0]=4 7143 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)COCF 6ca7077e8b248a04d716ae322d9a8b3d [0,1,0,1,0,0|2,0,0]=4 7144 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)OCCF c982ca7d7d4d863077852f1acf212c69 [0,1,0,1,0,0|2,0,0]=4 7145 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)OCCS a6e44569902d4f7d7a798be37d578ca7 [0,1,0,1,0,0|2,0,0]=4 7146 B13R1.495 COC(=O)[C@@H]1CC[C@@H](C1)OCSC c0d9a8d52bf0188cac4952c08ddf381d [0,1,0,1,0,0|2,0,0]=4 7147 B13R1.495 COC(=O)[C@@H]1CC[C@H](C1)OCCF 9d8631940ce92c7aa3e1c5f0f3bc142c [0,1,0,1,0,0|2,0,0]=4 7148 B13R1.495 COC(=O)[C@@H]1CC[C@H](C1)OCCS 990105f63e0b91cfc1fd65e4f3bb2916 [0,1,0,1,0,0|2,0,0]=4 7149 B13R1.495 COC(=O)[C@@H]1CC[C@H](C1)OCSC b17838ea9bdefca90c3f5c5d95e2ba6b [0,1,0,1,0,0|2,0,0]=4 7150 B13R1.495 COC(=O)[C@H]1CCN(C1)CCCF a6a182fa49b2d899986fcffb538eefc3 [0,1,0,1,0,0|2,0,0]=4 7151 B13R1.495 COC(=O)[C@H]1CCN(C1)CCCO a90dad8463db13f1df6d258a6e1fdf55 [0,1,0,1,0,0|2,0,0]=4 7152 B13R1.495 COC(=O)[C@H]1CCN(C1)CCCS b9102571bf42aeb6778aa1efd644f6bf [0,1,0,1,0,0|2,0,0]=4 7153 B13R1.495 COC(=O)[C@H]1CCN(C1)CCSC 5d31dfafb59d53859f78eada086837b2 [0,1,0,1,0,0|2,0,0]=4 7154 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)NCCBr 633b89a2126d8c6e4f6ad5f6817025ea [0,1,0,1,0,0|2,0,0]=4 7155 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)NCCF 1728266215d90915990ea3a43f785e38 [0,1,0,1,0,0|2,0,0]=4 7156 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)NCCI 42bd1e86482e01abd7df0a57be332da8 [0,1,0,1,0,0|2,0,0]=4 7157 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)NCCO a1b8666eb8f8c0fe5a5165670fdebc6e [0,1,0,1,0,0|2,0,0]=4 7158 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)NCCS 4318eb433160fd9b6ae7fc35bd3e4d7d [0,1,0,1,0,0|2,0,0]=4 7159 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)NCSC 7ab96ff6607e440767669a059e36b86a [0,1,0,1,0,0|2,0,0]=4 7160 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)OCCF 44a473e8ff25e99a9b479191a571ffed [0,1,0,1,0,0|2,0,0]=4 7161 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)OCCS 80ad848fdae8a5173c90a936f851cd3d [0,1,0,1,0,0|2,0,0]=4 7162 B13R1.495 COC(=O)[C@H]1CC[C@@H](C1)OCSC d0a68c6c55712c307c5d809b8185b8c2 [0,1,0,1,0,0|2,0,0]=4 7163 B13R1.495 COC(=O)[C@H]1CC[C@H](C1)OCCF f70750f88bf9769f224938efcdcb0236 [0,1,0,1,0,0|2,0,0]=4 7164 B13R1.495 COC(=O)[C@H]1CC[C@H](C1)OCCS 0027b68ddcc7a8e0d14184448b521083 [0,1,0,1,0,0|2,0,0]=4 7165 B13R1.495 COC(=O)[C@H]1CC[C@H](C1)OCSC 4115580c74c6fa0f31e09b6960447ef8 [0,1,0,1,0,0|2,0,0]=4 7166 B13R1.495 COCCN1CCC(C1)C(=O)OC 1934cfe06b4473bc6b5a500b288ee2ec [0,1,0,1,0,0|2,0,0]=4 7167 B13R1.495 COCCN1CC[C@@H](C1)C(=O)OC 85cfbcf8c2edc6deeb922d0e2e412428 [0,1,0,1,0,0|2,0,0]=4 7168 B13R1.495 COCCN1CC[C@H](C1)C(=O)OC 265ce7d515f53038454ea5eb2f21a9f0 [0,1,0,1,0,0|2,0,0]=4 7169 B13R1.495 COCN[C@H]1CC[C@@H](C1)C(=O)OC 50a0a9c7deb3bb17038b887c6e1de21f [0,1,0,1,0,0|2,0,0]=4 7170 B13R1.495 COCOC1CCC(C1)C(=O)OC 1d479e43a8c32672d5d8e3cedb510db1 [0,1,0,1,0,0|2,0,0]=4 7171 B13R1.495 COCO[C@@H]1CC[C@@H](C1)C(=O)OC fd7574030fe52cead62430dd5a657f8f [0,1,0,1,0,0|2,0,0]=4 7172 B13R1.495 COCO[C@@H]1CC[C@H](C1)C(=O)OC 16593ed40df12aa17dc76aecbf7ee864 [0,1,0,1,0,0|2,0,0]=4 7173 B13R1.495 COCO[C@H]1CC[C@@H](C1)C(=O)OC e0e9289c9b59bf80e15ce2536537aa15 [0,1,0,1,0,0|2,0,0]=4 7174 B13R1.495 COCO[C@H]1CC[C@H](C1)C(=O)OC 9cd93be2f00a05a4a5cf1ef1e2013395 [0,1,0,1,0,0|2,0,0]=4 7175 B13R1.528 C#CC(=O)NCC1CCCCC1C bfabe9bfd5cec3b4b9f5b23656d23ad8 [0,1,0,1,0,0|2,0,0]=4 7176 B13R1.528 C=C(CNC1CCCCC1C)OC f84d3e3a9a010646b5283170453180c1 [0,1,0,1,0,0|2,0,0]=4 7177 B13R1.528 C=C(CN[C@@H]1CCCC[C@@H]1C)OC aef797001f80bd1af27d30ab0e291cb3 [0,1,0,1,0,0|2,0,0]=4 7178 B13R1.528 C=C(CN[C@@H]1CCCC[C@H]1C)OC a784c6d8b1d5b1c8e1ec579095f7ae73 [0,1,0,1,0,0|2,0,0]=4 7179 B13R1.528 C=C(CN[C@H]1CCCC[C@@H]1C)OC 7567f0317a869d587ff2afae12648882 [0,1,0,1,0,0|2,0,0]=4 7180 B13R1.528 C=C(CN[C@H]1CCCC[C@H]1C)OC 7c889fb002383ff6131934f78fb6a71d [0,1,0,1,0,0|2,0,0]=4 7181 B13R1.528 C=C(CO)CNC1CCCCC1C 1172390d951b87c66c62f361000b05f6 [0,1,0,1,0,0|2,0,0]=4 7182 B13R1.528 C=C(CO)CN[C@@H]1CCCC[C@@H]1C 30e43adf90a3770890dbdd0cbdac3867 [0,1,0,1,0,0|2,0,0]=4 7183 B13R1.528 C=C(CO)CN[C@@H]1CCCC[C@H]1C 83c65f763bf9e9aae8944d1a09488d91 [0,1,0,1,0,0|2,0,0]=4 7184 B13R1.528 C=C(CO)CN[C@H]1CCCC[C@@H]1C 09c4275404226d63ef902e73b8c2e5be [0,1,0,1,0,0|2,0,0]=4 7185 B13R1.528 C=C(CO)CN[C@H]1CCCC[C@H]1C b33698477a6b4b7c85d1e546892ae404 [0,1,0,1,0,0|2,0,0]=4 7186 B13R1.528 C=C(COC1CCCCC1C)OC 126ecd7db2a9825abce632d8119cf25e [0,1,0,1,0,0|2,0,0]=4 7187 B13R1.528 C=C(CO[C@@H]1CCCC[C@@H]1C)OC 54236f281b84f41f9c6056e80f783dc9 [0,1,0,1,0,0|2,0,0]=4 7188 B13R1.528 C=C(CO[C@H]1CCCC[C@@H]1C)OC b6f0143cf20649a5ead79b339d33fe85 [0,1,0,1,0,0|2,0,0]=4 7189 B13R1.528 C=C(CO[C@H]1CCCC[C@H]1C)OC 757a162929b88204f52098d39171441b [0,1,0,1,0,0|2,0,0]=4 7190 B13R1.528 C=CC(=O)NCC1CCCCC1C eddabd72fcc374a904c009105986aaaf [0,1,0,1,0,0|2,0,0]=4 7191 B13R1.528 CC1CCCCC1CNC(=O)C=O a22f10e7961dffb498f85c1e87f67e5c [0,1,0,1,0,0|1,0,1]=4 7192 B13R1.528 CC1CCCCC1CNC(=O)CF f3a7719750f0cf64b658939eb2774e93 [0,1,0,1,0,0|2,0,0]=4 7193 B13R1.528 CC1CCCCC1CNC(=O)CO 8075fa3420ab61d1d9e533cffc97d11a [0,1,0,1,0,0|1,0,0]=3 7194 B13R1.528 CC1CCCCC1CNC(=O)CS fe0ae415d062ba81441433acde22b749 [0,1,0,1,0,0|1,1,0]=4 7195 B13R1.528 CC1CCCCC1NCC(=O)CO 515a416376d38c107a574e9829824a90 [0,1,0,1,0,0|1,0,0]=3 7196 B13R1.528 CC1COCCC1NCC(=O)CO d50343ebfe427bc635f8c1db66ccca73 [0,1,0,1,0,0|2,0,0]=4 7197 B13R1.528 CCC(=O)CNC1CCCCC1C dad1d1219e4b131b5a9962d0421ae55f [0,1,0,1,0,0|2,0,0]=4 7198 B13R1.528 CCC(=O)CN[C@@H]1CCCC[C@@H]1C cb8525290be28b2ade73c0a3e98a21c2 [0,1,0,1,0,0|2,0,0]=4 7199 B13R1.528 CCC(=O)CN[C@@H]1CCCC[C@H]1C 9b2c349bf4f994ac12f9f2a2f16dd85a [0,1,0,1,0,0|2,0,0]=4 7200 B13R1.528 CCC(=O)CN[C@H]1CCCC[C@@H]1C df70879bc1de366c861c848a84d652b3 [0,1,0,1,0,0|2,0,0]=4 7201 B13R1.528 CCC(=O)CN[C@H]1CCCC[C@H]1C 15381501225527111243a4f5021ce61a [0,1,0,1,0,0|2,0,0]=4 7202 B13R1.528 CCC(=O)COC1CCCCC1C cc27aec26f20c9aadd93bdd49fcc4a34 [0,1,0,1,0,0|2,0,0]=4 7203 B13R1.528 CCC(=O)CO[C@@H]1CCCC[C@@H]1C 001e0d616c76b1587e7c6f67acec7ac5 [0,1,0,1,0,0|2,0,0]=4 7204 B13R1.528 CCC(=O)CO[C@H]1CCCC[C@@H]1C bd27f1550fa9ac605be8b47598117e22 [0,1,0,1,0,0|2,0,0]=4 7205 B13R1.528 CCC(=O)CO[C@H]1CCCC[C@H]1C a0d1a6839583a82632fdb728a560eb81 [0,1,0,1,0,0|2,0,0]=4 7206 B13R1.528 CCC(=O)NCC1CCCCC1C 9d00a1ed14ce7970e3d353c5132bcfa1 [0,1,0,1,0,0|2,0,0]=4 7207 B13R1.528 CN1CCCCC1CNC(=O)CO 2bc632b7041e80f0edf3b3d38341199b [0,1,0,1,0,0|2,0,0]=4 7208 B13R1.528 CNC(=O)CCN1CCCCC1C e4934d3dadd9321aa333a6df98616a1a [0,1,0,1,0,0|2,0,0]=4 7209 B13R1.528 CNC(=O)CCN1CCCC[C@@H]1C 26fc7deb1b2972745349c1a2ffd239a1 [0,1,0,1,0,0|2,0,0]=4 7210 B13R1.528 CNC(=O)CCN1CCCC[C@H]1C 3e7c327a4f377b18b9817466644f06b4 [0,1,0,1,0,0|2,0,0]=4 7211 B13R1.528 CNC(=O)CNC1CCCCC1C 4f3ef3634ccef443a87d3d9067aedc7f [0,1,0,1,0,0|2,0,0]=4 7212 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@@H]1C 7d76627379b5d720f505c982253798e8 [0,1,0,1,0,0|2,0,0]=4 7213 B13R1.528 CNC(=O)CN[C@@H]1CCCC[C@H]1C 9c915867e49010728911727e2108995d [0,1,0,1,0,0|2,0,0]=4 7214 B13R1.528 CNC(=O)CN[C@H]1CCCC[C@@H]1C cee68da9c778a9194ce435d73db5daab [0,1,0,1,0,0|2,0,0]=4 7215 B13R1.528 CNC(=O)CN[C@H]1CCCC[C@H]1C eb09fbc9320904bed9d464b1deeaee95 [0,1,0,1,0,0|2,0,0]=4 7216 B13R1.528 CNC(=O)COC1CCCCC1C 3fda38fe3d181313c75a764e5a600450 [0,1,0,1,0,0|2,0,0]=4 7217 B13R1.528 CNC(=O)CO[C@@H]1CCCC[C@@H]1C 78de5f390efcededa13e43a06744fb7f [0,1,0,1,0,0|2,0,0]=4 7218 B13R1.528 CNC(=O)CO[C@H]1CCCC[C@@H]1C 2ff71c62f2ae0a8b97f5611ee43feba4 [0,1,0,1,0,0|2,0,0]=4 7219 B13R1.528 CNC(=O)CO[C@H]1CCCC[C@H]1C 03dc0c17dc9515c2acd1c97c693321c4 [0,1,0,1,0,0|2,0,0]=4 7220 B13R1.528 COC(=O)CCN1CCCCC1C ef8c98f2f34f940a739ee3de8f03b8cf [0,1,0,1,0,0|1,0,0]=3 7221 B13R1.528 COC(=O)CCN1CCCC[C@@H]1C c488d3543a40e6300a50858ebd6e1dc2 [0,1,0,1,0,0|1,0,0]=3 7222 B13R1.528 COC(=O)CCN1CCCC[C@H]1C 58a42fb055e141f7db8424589aab1652 [0,1,0,1,0,0|1,0,0]=3 7223 B13R1.528 COC(=O)CCN1CCOCC1C d7954d04f2918fca49db797d50c26eae [0,1,0,1,0,0|2,0,0]=4 7224 B13R1.528 COC(=O)CCN1CCOC[C@@H]1C dfb77d9712f10e1657ae6328739016db [0,1,0,1,0,0|2,0,0]=4 7225 B13R1.528 COC(=O)CCN1CCOC[C@H]1C 217177d477f3d3c74f644954d861787f [0,1,0,1,0,0|2,0,0]=4 7226 B13R1.528 COC(=O)CNC1CCCCC1C 35a184b111497c6de6452d16ee326255 [0,1,0,1,0,0|1,0,0]=3 7227 B13R1.528 COC(=O)CNC1CCCCC1F 75b78784db9a9315213cf71afea87339 [0,1,0,1,0,0|2,0,0]=4 7228 B13R1.528 COC(=O)CNC1CCCCC1O b50a4ff1d08e36ad73b39c80cc9f40d8 [0,1,0,1,0,0|2,0,0]=4 7229 B13R1.528 COC(=O)CNC1CCOCC1C bbe8ca04d06208267f810c8523726944 [0,1,0,1,0,0|2,0,0]=4 7230 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@@H]1C 0a7ce6f2abd603141199bba264a9e621 [0,1,0,1,0,0|1,0,0]=3 7231 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1C 644767dc0ca5abaae7e2159873358be7 [0,1,0,1,0,0|1,0,0]=3 7232 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1O b56b20e2a515a6ca4bd229acf08e592e [0,1,0,1,0,0|2,0,0]=4 7233 B13R1.528 COC(=O)CN[C@@H]1CCOC[C@@H]1C 9803f4c21b7fbdb60156f5abc1f55e1f [0,1,0,1,0,0|2,0,0]=4 7234 B13R1.528 COC(=O)CN[C@H]1CCCC[C@@H]1C 729b9c55193cef1ba96c140e08e164fc [0,1,0,1,0,0|1,0,0]=3 7235 B13R1.528 COC(=O)CN[C@H]1CCCC[C@@H]1O 321b7a5012c00985256995e0c854605a [0,1,0,1,0,0|2,0,0]=4 7236 B13R1.528 COC(=O)CN[C@H]1CCCC[C@H]1C e3890e74e6d11e455205c25a189e97aa [0,1,0,1,0,0|1,0,0]=3 7237 B13R1.528 COC(=O)CN[C@H]1CCCC[C@H]1O 648f1866a78451f91430fb180ae39e35 [0,1,0,1,0,0|2,0,0]=4 7238 B13R1.528 COC(=O)CN[C@H]1CCOC[C@H]1C 7a145b4c936885313d99dfc12f7c4392 [0,1,0,1,0,0|2,0,0]=4 7239 B13R1.528 COC(=O)COC1CCCCC1C b74de9510a00a985e674edd292923b4f [0,1,0,1,0,0|1,0,0]=3 7240 B13R1.528 COC(=O)COC1CCCCC1F 020e4e75821d7fe65ef19dff721e2953 [0,1,0,1,0,0|2,0,0]=4 7241 B13R1.528 COC(=O)COC1CCOCC1C f31145225f89d95cd86ad4297ac41c41 [0,1,0,1,0,0|2,0,0]=4 7242 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@@H]1C e67e19786db9771ad0a8cf07b41d6b3e [0,1,0,1,0,0|1,0,0]=3 7243 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 5e925eee87a60e3cdc1621ec17aa1921 [0,1,0,1,0,0|2,0,0]=4 7244 B13R1.528 COC(=O)CO[C@H]1CCCC[C@@H]1C 06c191f546ddb7e0ac5a03f84a4e57ea [0,1,0,1,0,0|1,0,0]=3 7245 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1C 00bb601598a60bdb0cfce4a3b75d221e [0,1,0,1,0,0|1,0,0]=3 7246 B13R1.528 COC(=O)OCN1CCCCC1C 17d16b29865ff1db54f7e1345182fc7d [0,1,0,1,0,0|2,0,0]=4 7247 B13R1.528 COC(=O)OCN1CCCC[C@@H]1C a2371ec80aa38e01b37c6ad9f788c0db [0,1,0,1,0,0|2,0,0]=4 7248 B13R1.528 COC(=O)OCN1CCCC[C@H]1C 712a9feba74b66c53a277d22ab301d05 [0,1,0,1,0,0|2,0,0]=4 7249 B13R1.528 C[C@@H]1CCCC[C@@H]1NCC(=O)CO 4a3c1570a6acd3a7e2198011b775acc0 [0,1,0,1,0,0|1,0,0]=3 7250 B13R1.528 C[C@@H]1CCCC[C@@H]1NCC(=O)NO 44a1edb334c8f2819c89854c5b49a5b6 [0,1,0,1,0,0|1,0,0]=3 7251 B13R1.528 C[C@@H]1CCCC[C@H]1NCC(=O)CO dfd067c88ebdb0cff3596eca54ac99ee [0,1,0,1,0,0|1,0,0]=3 7252 B13R1.528 C[C@@H]1COCC[C@@H]1NCC(=O)CO 0b698b8d54a8fe1c96a155fc5775bc28 [0,1,0,1,0,0|2,0,0]=4 7253 B13R1.528 C[C@H]1CCCC[C@@H]1NCC(=O)CO 14fcf562b3b407bb45ddff2d1b2d9305 [0,1,0,1,0,0|1,0,0]=3 7254 B13R1.528 C[C@H]1CCCC[C@H]1NCC(=O)CO fe0249ebd13b615bfb615dece8775f1e [0,1,0,1,0,0|1,0,0]=3 7255 B13R1.528 C[C@H]1COCC[C@H]1NCC(=O)CO f094d1814a82ab1db4b58d586cda3207 [0,1,0,1,0,0|2,0,0]=4 7256 B13R1.528 O=C(CNC1CCCCC1F)NO 9a599702a394c7cfcb300f331557e8dd [0,1,0,1,0,0|2,0,0]=4 7257 B13R1.528 O=C(CO)CNC1CCCCC1O 94236943a3cccf68d8d821939270bb01 [0,1,0,1,0,0|2,0,0]=4 7258 B13R1.528 O=C(CO)CN[C@@H]1CCCC[C@H]1O a6e0522c2c1e317112949ed6c6c7df4b [0,1,0,1,0,0|2,0,0]=4 7259 B13R1.528 O=C(CO)CN[C@H]1CCCC[C@@H]1O 199174dbe5aa6bf7dd5123f9694a5696 [0,1,0,1,0,0|2,0,0]=4 7260 B13R1.528 O=C(CO)CN[C@H]1CCCC[C@H]1O bd96bd03dfcb51302c631f30d7170ffd [0,1,0,1,0,0|2,0,0]=4 7261 B13R1.528 O=C(CO)NCC1CCCCC1O 0bba8dd218ef8873b5272978ec075e07 [0,1,0,1,0,0|2,0,0]=4 7262 B13R1.1198 CCCCC(CC)N[C@H]1CNC1=O cf88df13d53ba7d932f3784f3eedacbc [0,1,0,1,0,0|2,0,0]=4 7263 B13R1.1198 CCCCC(CC)OC1CCC1=O 85474a018385b89d5732a9e9d8f203e1 [0,1,0,1,0,0|2,0,0]=4 7264 B13R1.1198 CCCCN(CC)CC1COC1=O d86ea2ae455076b89544471b2cf55967 [0,1,0,1,0,0|1,0,0]=3 7265 B13R1.1198 CCN(CCCO)CC1COC1=O 77c927cefe2960615588ae5fadeac459 [0,1,0,1,0,0|2,0,0]=4 7266 B13R1.1602 CCCCN1CCC(=O)N(CC1)C 29916a7f877a15c38861ce8b28dd9327 [0,1,0,1,0,0|2,0,0]=4 7267 B13R1.1711 C#CC(=O)NCC1CCCCCC1 18bd53c749e08d391255d96d022c2c9d [0,1,0,1,0,0|2,0,0]=4 7268 B13R1.1711 C=C(C=O)OCC1CCCCCC1 84c7b4384d91a5e9fec6bab22202dfa4 [0,1,0,1,0,0|2,0,0]=4 7269 B13R1.1711 C=C(CNC1CCCCCC1)OC 56de0be3ba35d54fa4d5e4b626c5572f [0,1,0,1,0,0|2,0,0]=4 7270 B13R1.1711 C=C(CO)CNC1CCCCCC1 cefe9b866d0e2dd6eb33aaff2063464f [0,1,0,1,0,0|2,0,0]=4 7271 B13R1.1711 C=C(COC1CCCCCC1)OC 2ebf3aaa3819bd828d8078a63b0ce556 [0,1,0,1,0,0|2,0,0]=4 7272 B13R1.1711 C=CC(=O)NCC1CCCCCC1 175a25f0e818a0d5a63c23dd9d1c6396 [0,1,0,1,0,0|2,0,0]=4 7273 B13R1.1711 CCC(=O)CNC1CCCCCC1 48b7046e7901a2c83baf0401be3fd56d [0,1,0,1,0,0|2,0,0]=4 7274 B13R1.1711 CCC(=O)COC1CCCCCC1 8c3e98d122c6b4c0ae3a433532c74030 [0,1,0,1,0,0|2,0,0]=4 7275 B13R1.1711 CCC(=O)NCC1CCCCCC1 859e07a71e58618209b39a2dae6ff918 [0,1,0,1,0,0|2,0,0]=4 7276 B13R1.1711 CNC(=O)CCN1CCCCCC1 d6d44d15f5b83e5bbede76bf166b2d1b [0,1,0,1,0,0|2,0,0]=4 7277 B13R1.1711 CNC(=O)CNC1CCCCCC1 7423f34e5ed3cac17fdb3f660faf2d31 [0,1,0,1,0,0|2,0,0]=4 7278 B13R1.1711 CNC(=O)COC1CCCCCC1 93a212472ab331bd05f548c7982759ed [0,1,0,1,0,0|2,0,0]=4 7279 B13R1.1711 COC(=O)CCN1CCCCCC1 5e5071b691467f8c1399fd481d84eb22 [0,1,0,1,0,0|1,0,0]=3 7280 B13R1.1711 COC(=O)CCN1CCCOCC1 e9d623a29c23942c0115118499ad7840 [0,1,0,1,0,0|2,0,0]=4 7281 B13R1.1711 COC(=O)CNC1CCCCCC1 b16ba115e3dcdf69c544cb1eaaefa267 [0,1,0,1,0,0|1,0,0]=3 7282 B13R1.1711 COC(=O)CNC1CCCOCC1 b118ae404e97484d329c3db89ed52176 [0,1,0,1,0,0|2,0,0]=4 7283 B13R1.1711 COC(=O)COC1CCCCCC1 34b7b213576e112cb4be06d7516d609e [0,1,0,1,0,0|1,0,0]=3 7284 B13R1.1711 COC(=O)COC1CCCOCC1 901a2fb2220a96aa11cccb163e60e9e8 [0,1,0,1,0,0|2,0,0]=4 7285 B13R1.1711 COC(=O)OCN1CCCCCC1 0070e783c5623d6aa623d7b63b35ba56 [0,1,0,1,0,0|2,0,0]=4 7286 B13R1.1711 O=C(CF)NCC1CCCCCC1 ba2ae6feec9bd0387af584bd7fe097e9 [0,1,0,1,0,0|2,0,0]=4 7287 B13R1.1711 O=C(CNC1CCCCCC1)NO 5304b3886c6a7888bd8f4320fa73f450 [0,1,0,1,0,0|1,0,0]=3 7288 B13R1.1711 O=C(CNC1CCCOCC1)NO 8a01645907d5662bfdbd7ba6a8d902ec [0,1,0,1,0,0|2,0,0]=4 7289 B13R1.1711 O=C(CO)CNC1CCCCCC1 d8ea6f3c52b0e34a8d8fdf6ef1c6bdc5 [0,1,0,1,0,0|1,0,0]=3 7290 B13R1.1711 O=C(CO)CNC1CCCOCC1 16e823c520130f1c53f3185619dff341 [0,1,0,1,0,0|2,0,0]=4 7291 B13R1.1711 O=C(CO)NCC1CCCCCC1 af259b7eb3df4f7e74f11c22b42e2a94 [0,1,0,1,0,0|1,0,0]=3 7292 B13R1.1711 O=C(CS)NCC1CCCCCC1 c9d6f8fd3e8ea5f3ac8d50c707fc322f [0,1,0,1,0,0|1,1,0]=4 7293 B13R1.1711 O=CC(=O)NCC1CCCCCC1 72d2016d011e60cc59bd23ad7dfa0264 [0,1,0,1,0,0|1,0,1]=4 7294 B13R1.1950 COCCC1(CC1)CNC(=O)CO 46c875a4462a7c14987aa73138c6306d [0,1,0,1,0,0|2,0,0]=4 7295 B13R1.2035 CCC(NCC(=O)CO)C1COC1 c72453ce2fcb03d7d6f28822fd498558 [0,1,0,1,0,0|2,0,0]=4 7296 B13R1.2035 CCC(NCC(=O)OC)C1COC1 e033587305b77705c63e8d14de91f7d5 [0,1,0,1,0,0|2,0,0]=4 7297 B13R1.2035 CCC(OCC(=O)OC)C1COC1 cf3abebf76939cd8484567889121f649 [0,1,0,1,0,0|2,0,0]=4 7298 B13R1.2035 CCN(CCC(=O)NC)C1CCC1 0103dab026cbc37b9f51682c74badbbe [0,1,0,1,0,0|2,0,0]=4 7299 B13R1.2035 CCN(CCC(=O)OC)C1CCC1 11e74539508a2c1a7d79119f610119a6 [0,1,0,1,0,0|1,0,0]=3 7300 B13R1.2035 CCN(CCC(=O)OC)C1COC1 bdaf2704975bd69368626d40fd08600f [0,1,0,1,0,0|2,0,0]=4 7301 B13R1.2035 CCN(CCC(=O)OC)C1CSC1 d6538fc67b263ddb72d9f09568c82b66 [0,1,0,1,0,0|2,0,0]=4 7302 B13R1.2035 CCN(COC(=O)OC)C1CCC1 449bf61dd31e696bf293c200f6e4b6f2 [0,1,0,1,0,0|2,0,0]=4 7303 B13R1.2035 COC(=O)CN[C@H](CO)C1CCC1 25cb026e0c57ba6b054082466809cf07 [0,1,0,1,0,0|2,0,0]=4 7304 B13R1.2035 O=C(CO)CN[C@H](CO)C1CCC1 860dba8d2eceb55f7da0c052a318b915 [0,1,0,1,0,0|2,0,0]=4 7305 B13R1.2037 CCN(CCC(=O)NC)CC1CC1 bd7a09c17785492e3abb2dd41ad6934e [0,1,0,1,0,0|2,0,0]=4 7306 B13R1.2037 CCN(CCC(=O)OC)CC1CC1 0538382617cb31fffd5e3216c43346c4 [0,1,0,1,0,0|1,0,0]=3 7307 B13R1.2037 CCN(COC(=O)OC)CC1CC1 122907b9baa29e0737bf28ec996e3a89 [0,1,0,1,0,0|2,0,0]=4 7308 B13R1.2037 COC(=O)CCN(CF)CC1CC1 6e6771fb383813dd7deed04fb1cca275 [0,1,0,1,0,0|2,0,0]=4 7309 B13R1.2037 COC(=O)CCN(CO)CC1CC1 fc3434c933c9bedb50811a38b505a827 [0,1,0,1,0,0|2,0,0]=4 7310 B13R1.2037 O=C(CO)NCC(CO)CC1CC1 3b2d0932a0b989edef3fc84d3cd58283 [0,1,0,1,0,0|2,0,0]=4 7311 B13R1.2038 COC(=O)CCN1CCC(C1C)O 72456b2e6aa3b73160dd7d19f3e3b104 [0,1,0,1,0,0|2,0,0]=4 7312 B13R1.2038 COC(=O)CCN1CC[C@@H]([C@@H]1C)O b5dd6799288abe930d67a0c5517ca176 [0,1,0,1,0,0|2,0,0]=4 7313 B13R1.2038 COC(=O)CCN1CC[C@H]([C@H]1C)O 13ad9b89435d999a86fac658561c1912 [0,1,0,1,0,0|2,0,0]=4 7314 B13R1.2431 C#CC(=O)N1CC(CCC1C)CC 0159da66893af348180662016c17f57e [0,1,0,1,0,0|2,0,0]=4 7315 B13R1.2431 C=CC(=O)N1CC(CCC1C)CC 5846f1a42e057a78c0489f758c877cd1 [0,1,0,1,0,0|2,0,0]=4 7316 B13R1.2431 CC1CCC(CN1C(=O)CO)CO acfae6c9508e48ef9e04d21c6a315f77 [0,1,0,1,0,0|2,0,0]=4 7317 B13R1.2431 CCC(=O)N1CC(CCC1C)CC 7d0f377d298ff472be9c2ef0e2a0aed6 [0,1,0,1,0,0|2,0,0]=4 7318 B13R1.2431 CCC1CCC(N(C1)C(=O)C=O)C b9451bac22e7218c6ab66d996ace523c [0,1,0,1,0,0|1,0,1]=4 7319 B13R1.2431 CCC1CCC(N(C1)C(=O)CF)C 55d3d504d417b6acf774c6c0961a8f36 [0,1,0,1,0,0|2,0,0]=4 7320 B13R1.2431 CCC1CCC(N(C1)C(=O)CO)C cab2b6726fad1b35f73f89784b40881c [0,1,0,1,0,0|1,0,0]=3 7321 B13R1.2431 CCC1CCC(N(C1)C(=O)CS)C cc17547cc2e911504b0796a8291372ff [0,1,0,1,0,0|1,1,0]=4 7322 B13R1.2431 CCN1CCC(C(C1)C(=O)OC)O 9294f9344d8e2b6541e5bb04ae8a16b9 [0,1,0,1,0,0|2,0,0]=4 7323 B13R1.2431 CCN1CCN(C(C1)C(=O)OC)C e6e2ae81d47126c0a913d8838ba4fff3 [0,1,0,1,0,0|2,0,0]=4 7324 B13R1.3001 CCN1C[C@H](C[C@@H]1C(=O)OC)OC 82806cc78659e82f6e6c9c0dc08b41b8 [0,1,0,1,0,0|2,0,0]=4 7325 B13R1.3001 CCN1C[C@H](C[C@H]1C(=O)OC)OC 48cf4d77deca1395d070d9ef3335495d [0,1,0,1,0,0|2,0,0]=4 7326 B13R1.3048 CCN1CCCOC(C1)C(=O)OC faccd80beeddb83a9f07519d2ec5a05f [0,1,0,1,0,0|2,0,0]=4 7327 B13R1.4713 COC(=O)CNC1(CCCC1)CO 2df18f29d607184aa21b18158307179e [0,1,0,1,0,0|2,0,0]=4 7328 B13R1.4713 O=C(CO)CNC1(CCCC1)CO b430a2ffce7bf6090b1d375e54de9df2 [0,1,0,1,0,0|2,0,0]=4 7329 B13R1.4713 O=C(CO)NCC1(CCCC1)CO 455f6aabbe1344688be895cfeaa90ec1 [0,1,0,1,0,0|2,0,0]=4 7330 B13R1.59 C=C(CN1CCC(C1)CC)C(=O)O f9a2bdbf566759e82b7f073268ee7ded [0,1,0,1,0,0|1,0,1]=4 7331 B13R1.59 CC(CN1CCC(C1)CO)C(=O)O 9ebff2aba452b533cf1f13e5f1326f2f [0,1,0,1,0,0|2,0,0]=4 7332 B13R1.59 CC(CN1CC[C@@H](C1)CO)C(=O)O 82eb4f7d17ace230c204ada9b163d0a1 [0,1,0,1,0,0|2,0,0]=4 7333 B13R1.59 CC(CN1CC[C@H](C1)CO)C(=O)O 88c01e4e1e0245a2afdda4670752b455 [0,1,0,1,0,0|2,0,0]=4 7334 B13R1.59 CC(NC1CCC(C1)CO)C(=O)O 42f968a44ec7ac569e893d8453a22f47 [0,1,0,1,0,0|2,0,0]=4 7335 B13R1.59 CC(N[C@@H]1CC[C@@H](C1)CO)C(=O)O 584347009130d06bb18465b815327c1d [0,1,0,1,0,0|2,0,0]=4 7336 B13R1.59 CC(N[C@@H]1CC[C@H](C1)CO)C(=O)O b6f9eaaa8655fbbc85563bd95759ba15 [0,1,0,1,0,0|2,0,0]=4 7337 B13R1.59 CC(N[C@H]1CC[C@@H](C1)CO)C(=O)O 9aee1d0f0c25374bf385a720e934adb6 [0,1,0,1,0,0|2,0,0]=4 7338 B13R1.59 CC(N[C@H]1CC[C@H](C1)CO)C(=O)O 5bf609fa35708db4a797ae84d51fc3a0 [0,1,0,1,0,0|2,0,0]=4 7339 B13R1.59 CCC1CCN(C1)CC(=O)C(=O)O 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B13R1.59 CCN1CCC(C1)O[C@@H](F)C(=O)O 36dcabb4d681b8e08b322bebcd4ea955 [0,1,0,1,0,0|2,0,0]=4 7351 B13R1.59 CCN1CCC(C1)O[C@H](C)C(=O)O 041d7cdff0f3914c87f10ef49209fbca [0,1,0,1,0,0|2,0,0]=4 7352 B13R1.59 COC1CCC(C1)OC(C)C(=O)O 5a4345f6c031a0a5f290d04b9c856226 [0,1,0,1,0,0|2,0,0]=4 7353 B13R1.59 COC1CCC(C1)OC(F)C(=O)O 1140dbae47a5cd46498b777c47b6b321 [0,1,0,1,0,0|2,0,0]=4 7354 B13R1.59 COC1CCC(C1)O[C@@H](C)C(=O)O a5bc2a0d894b3c2767a8a1e0d5b6369d [0,1,0,1,0,0|2,0,0]=4 7355 B13R1.59 COC1CCC(C1)O[C@@H](F)C(=O)O 9b8ebccbe7d12e027423dcfe9f397e0e [0,1,0,1,0,0|2,0,0]=4 7356 B13R1.59 COC1CCC(C1)O[C@H](C)C(=O)O af349bd2e326c663c29be7834c586ea0 [0,1,0,1,0,0|2,0,0]=4 7357 B13R1.59 COC1CCN(C1)CC(C)C(=O)O ca60d94905321d2b2406fa62c8603627 [0,1,0,1,0,0|2,0,0]=4 7358 B13R1.59 COC1CCN(C1)CC(O)C(=O)O 01481f0bc3b7b5167807981df2773aa7 [0,1,0,1,0,0|2,0,0]=4 7359 B13R1.59 COC1CCN(C1)C[C@H](O)C(=O)O c661dc2a75b12fe292e388fb563fc6d3 [0,1,0,1,0,0|2,0,0]=4 7360 B13R1.59 CO[C@@H]1CCN(C1)CC(C)C(=O)O ffd97c5e2e743dbe6a210cccf143b2bb [0,1,0,1,0,0|2,0,0]=4 7361 B13R1.59 CO[C@@H]1CCN(C1)CC(O)C(=O)O 297319183941ddf3260c3d01302dd07d [0,1,0,1,0,0|2,0,0]=4 7362 B13R1.59 CO[C@@H]1CCN(C1)C[C@H](O)C(=O)O d5da9c27f70d3f71ce457f9727ea8aba [0,1,0,1,0,0|2,0,0]=4 7363 B13R1.59 CO[C@@H]1CC[C@@H](C1)OC(C)C(=O)O 5c47396aa479ca1f634e8c841e26434e [0,1,0,1,0,0|2,0,0]=4 7364 B13R1.59 CO[C@@H]1CC[C@@H](C1)OC(F)C(=O)O 1125065cf6aa39f1610c286f695d402c [0,1,0,1,0,0|2,0,0]=4 7365 B13R1.59 CO[C@@H]1CC[C@@H](C1)O[C@@H](C)C(=O)O 8f7a6e6c2cc24f19e1c4d5085c8c9fd4 [0,1,0,1,0,0|2,0,0]=4 7366 B13R1.59 CO[C@@H]1CC[C@@H](C1)O[C@@H](F)C(=O)O 68a04628f3cf6990b1a7191ad3e26e55 [0,1,0,1,0,0|2,0,0]=4 7367 B13R1.59 CO[C@@H]1CC[C@@H](C1)O[C@H](C)C(=O)O 2bb722ff34938f9f6cf0dff77a2a9e47 [0,1,0,1,0,0|2,0,0]=4 7368 B13R1.59 CO[C@@H]1CC[C@H](C1)OC(C)C(=O)O b7baebb832671f37722add3e64c16dcc [0,1,0,1,0,0|2,0,0]=4 7369 B13R1.59 CO[C@@H]1CC[C@H](C1)OC(F)C(=O)O 30708c26253aff599d66c1807be552a6 [0,1,0,1,0,0|2,0,0]=4 7370 B13R1.59 CO[C@@H]1CC[C@H](C1)O[C@@H](C)C(=O)O c667d04e5cc0f2b86acce88578932a92 [0,1,0,1,0,0|2,0,0]=4 7371 B13R1.59 CO[C@@H]1CC[C@H](C1)O[C@@H](F)C(=O)O b33d6a38466327d09ebd95cf568f37ac [0,1,0,1,0,0|2,0,0]=4 7372 B13R1.59 CO[C@@H]1CC[C@H](C1)O[C@H](C)C(=O)O 6d092bf16506c48be2f888920d762a08 [0,1,0,1,0,0|2,0,0]=4 7373 B13R1.59 CO[C@H]1CCN(C1)CC(C)C(=O)O 3c61d50bd6fcfde10f984ac76ea06382 [0,1,0,1,0,0|2,0,0]=4 7374 B13R1.59 CO[C@H]1CCN(C1)CC(O)C(=O)O 40e3c4cec6838c21b29588b2c38863a5 [0,1,0,1,0,0|2,0,0]=4 7375 B13R1.59 CO[C@H]1CCN(C1)C[C@H](O)C(=O)O 0c86f4f34ab46d189c2f44a89a975996 [0,1,0,1,0,0|2,0,0]=4 7376 B13R1.59 CO[C@H]1CC[C@H](C1)NC(C)C(=O)O 6b0d2426ba05e647ab44b11aa21b42d2 [0,1,0,1,0,0|2,0,0]=4 7377 B13R1.59 CO[C@H]1CC[C@H](C1)NC(F)C(=O)O b9f9aae04c2f3d236a86b7e1d694c750 [0,1,0,1,0,0|2,0,0]=4 7378 B13R1.59 CO[C@H]1CC[C@H](C1)N[C@@H](C)C(=O)O 879ec691eee870583599fa7847c21265 [0,1,0,1,0,0|2,0,0]=4 7379 B13R1.59 CO[C@H]1CC[C@H](C1)N[C@@H](F)C(=O)O bbde2dc5db58f0a202c00300b144222b [0,1,0,1,0,0|2,0,0]=4 7380 B13R1.59 CO[C@H]1CC[C@H](C1)N[C@H](C)C(=O)O 0e1e70adbab1369133281cdd0546cb1f [0,1,0,1,0,0|2,0,0]=4 7381 B13R1.59 C[C@@H](NC1CCC(C1)CO)C(=O)O 113798e3844424733214107ba28147a5 [0,1,0,1,0,0|2,0,0]=4 7382 B13R1.59 C[C@@H](N[C@@H]1CC[C@@H](C1)CO)C(=O)O e944b93cded38c3c5cadc898b1ccb9de [0,1,0,1,0,0|2,0,0]=4 7383 B13R1.59 C[C@@H](N[C@@H]1CC[C@H](C1)CO)C(=O)O 09ba0ead0d81337748783b521fc07b2d [0,1,0,1,0,0|2,0,0]=4 7384 B13R1.59 C[C@@H](N[C@H]1CC[C@@H](C1)CO)C(=O)O 72eb25d36811142abecd04e615cb3a7c [0,1,0,1,0,0|2,0,0]=4 7385 B13R1.59 C[C@@H](N[C@H]1CC[C@H](C1)CO)C(=O)O 32ea84f61bd3d6bd5685be08ded7127b [0,1,0,1,0,0|2,0,0]=4 7386 B13R1.59 C[C@H](NC1CCC(C1)CO)C(=O)O 08b0092755d8599d1b7f7656914525c2 [0,1,0,1,0,0|2,0,0]=4 7387 B13R1.59 C[C@H](N[C@@H]1CC[C@@H](C1)CO)C(=O)O ad6208c3b7f3ad9b7202373bdd424196 [0,1,0,1,0,0|2,0,0]=4 7388 B13R1.59 C[C@H](N[C@@H]1CC[C@H](C1)CO)C(=O)O 8e4deee4f5c153a0331e3a019aadc37e [0,1,0,1,0,0|2,0,0]=4 7389 B13R1.59 C[C@H](N[C@H]1CC[C@@H](C1)CO)C(=O)O 825eab29790f3740dc4f324df280f747 [0,1,0,1,0,0|2,0,0]=4 7390 B13R1.59 C[C@H](N[C@H]1CC[C@H](C1)CO)C(=O)O 87c3ec043416b4ed49b2250c3e928704 [0,1,0,1,0,0|2,0,0]=4 7391 B13R1.59 O=C(O)C(F)NC1CCC(C1)CO cddc5699138238b47e2f5fb5dfa5f0cd [0,1,0,1,0,0|2,0,0]=4 7392 B13R1.59 O=C(O)C(F)N[C@@H]1CC[C@@H](C1)CO 785ec4d2c6fa382c890c5cbbf80f5844 [0,1,0,1,0,0|2,0,0]=4 7393 B13R1.59 O=C(O)C(F)N[C@@H]1CC[C@H](C1)CO 9e418876999f861997fabf513cda7791 [0,1,0,1,0,0|2,0,0]=4 7394 B13R1.59 O=C(O)C(F)N[C@H]1CC[C@@H](C1)CO a3faa400c6fd6c10599ccfa3aa525623 [0,1,0,1,0,0|2,0,0]=4 7395 B13R1.59 O=C(O)C(F)N[C@H]1CC[C@H](C1)CO a0e5a5ae33d8f97dcdb24314ca0c4d34 [0,1,0,1,0,0|2,0,0]=4 7396 B13R1.59 O=C(O)C(O)CN1CCC(C1)CO 4b10b4522fc1b710e3034ae54456855a [0,1,0,1,0,0|2,0,0]=4 7397 B13R1.59 O=C(O)C(O)CN1CC[C@@H](C1)CO 15206cd6c7b4cc2c0047e587fd7878e3 [0,1,0,1,0,0|2,0,0]=4 7398 B13R1.59 O=C(O)C(O)CN1CC[C@H](C1)CO 53f8fa03d5a598e8b77556fb0acfb628 [0,1,0,1,0,0|2,0,0]=4 7399 B13R1.59 O=C(O)[C@@H](O)CN1CCC(C1)CO d29b596c675bfc0d763ea0720e3271aa [0,1,0,1,0,0|2,0,0]=4 7400 B13R1.59 O=C(O)[C@@H](O)CN1CC[C@@H](C1)CO 8446c3e4bceaad805fba6675d743428a [0,1,0,1,0,0|2,0,0]=4 7401 B13R1.59 O=C(O)[C@@H](O)CN1CC[C@H](C1)CO 2b4879866ccb98d544992418cb6154da [0,1,0,1,0,0|2,0,0]=4 7402 B13R1.59 O=C(O)[C@H](F)NC1CCC(C1)CO 659c707d10a9d7c62ba58647b52a69fd [0,1,0,1,0,0|2,0,0]=4 7403 B13R1.59 O=C(O)[C@H](F)N[C@@H]1CC[C@@H](C1)CO 6ccdd8716b1fd3e2c8303f55558812ab [0,1,0,1,0,0|2,0,0]=4 7404 B13R1.59 O=C(O)[C@H](F)N[C@@H]1CC[C@H](C1)CO 63c3f1960c25b0c5e9b01ada0dd35591 [0,1,0,1,0,0|2,0,0]=4 7405 B13R1.59 O=C(O)[C@H](F)N[C@H]1CC[C@@H](C1)CO 34bea23d66a7c1e1dfd95f77031d346e [0,1,0,1,0,0|2,0,0]=4 7406 B13R1.59 O=C(O)[C@H](F)N[C@H]1CC[C@H](C1)CO be1c8bb9df2bc943cff3c303b81c8827 [0,1,0,1,0,0|2,0,0]=4 7407 B13R1.89 CCC1CCCCN1C(C)C(=O)C ca77186e32b407f5c986f179124bbd85 [0,1,0,1,0,0|2,0,0]=4 7408 B13R1.89 CCC1CCCCN1C(C)C(=O)N 9e0eda1178893734bbd9f5c614cae7a5 [0,1,0,1,0,0|2,0,0]=4 7409 B13R1.89 CCC1CCCCN1C(C)C(=O)O d79d58bd869e0aeafe006c883bc64ba3 [0,1,0,1,0,0|1,0,0]=3 7410 B13R1.89 CCC1CCCCN1C(F)C(=O)N b35b0b7710902a5ef7ef9b6ad5fc5591 [0,1,0,1,0,0|2,0,0]=4 7411 B13R1.89 CCC1CCCCN1C(F)C(=O)O cdb6bc5dbe92092d2b49da4c11352dca [0,1,0,1,0,0|1,0,0]=3 7412 B13R1.89 CCC1CCCCN1[C@@H](C)C(=O)N b87cd3b81260d1a706667b3bf0ab8551 [0,1,0,1,0,0|2,0,0]=4 7413 B13R1.89 CCC1CCCCN1[C@@H](C)C(=O)O 086609d57a654b0cc190b8d48a9c8983 [0,1,0,1,0,0|1,0,0]=3 7414 B13R1.89 CCC1CCCCN1[C@@H](F)C(=O)O 8694e92d17f3d1f2d09cf6e34b1de02a [0,1,0,1,0,0|1,0,0]=3 7415 B13R1.89 CCC1CCCCN1[C@H](C)C(=O)N bfea82ce00d95079fa0a747514887f7e [0,1,0,1,0,0|2,0,0]=4 7416 B13R1.89 CCC1CCCCN1[C@H](C)C(=O)O 404885a2e5ab19835a7035c188d0314c [0,1,0,1,0,0|1,0,0]=3 7417 B13R1.89 CCC1COCCN1C(C)C(=O)O 346fc8d4637c2de13f27e18dd4fd524f [0,1,0,1,0,0|2,0,0]=4 7418 B13R1.89 CCC1COCCN1C(F)C(=O)O 1309ed489d349b13971be796b8f9655a [0,1,0,1,0,0|2,0,0]=4 7419 B13R1.89 CCC1COCCN1[C@@H](C)C(=O)O b1abcea5ba951bd1a33bbb4fb1da674f [0,1,0,1,0,0|2,0,0]=4 7420 B13R1.89 CCC1COCCN1[C@@H](F)C(=O)O cb50797ab0ffd66e0b049edba64774c4 [0,1,0,1,0,0|2,0,0]=4 7421 B13R1.89 CCC1COCCN1[C@H](C)C(=O)O b389b874dcbf885bec427cba04eebab6 [0,1,0,1,0,0|2,0,0]=4 7422 B13R1.89 CC[C@@H]1CCCCN1C(C)C(=O)C f3c98e2a0822561c4a2cdc3be9178f4e [0,1,0,1,0,0|2,0,0]=4 7423 B13R1.89 CC[C@@H]1CCCCN1C(C)C(=O)N 0bd286be8bcc7293de617aca7c0f09eb [0,1,0,1,0,0|2,0,0]=4 7424 B13R1.89 CC[C@@H]1CCCCN1C(C)C(=O)O 7d8076faaaf51e6d116d7fd1859d5733 [0,1,0,1,0,0|1,0,0]=3 7425 B13R1.89 CC[C@@H]1CCCCN1C(F)C(=O)N 779a0eac7d4aac0b51d20f319f36da8f [0,1,0,1,0,0|2,0,0]=4 7426 B13R1.89 CC[C@@H]1CCCCN1C(F)C(=O)O 905bedd9e6ab73abe542c281fa337362 [0,1,0,1,0,0|1,0,0]=3 7427 B13R1.89 CC[C@@H]1CCCCN1[C@@H](C)C(=O)N c47e4dab5fa89c66a29470332a0df190 [0,1,0,1,0,0|2,0,0]=4 7428 B13R1.89 CC[C@@H]1CCCCN1[C@@H](C)C(=O)O d228d9b03304026fff4ab45c61f1b460 [0,1,0,1,0,0|1,0,0]=3 7429 B13R1.89 CC[C@@H]1CCCCN1[C@@H](F)C(=O)O 866caecb0960e4879743b4e3af46de95 [0,1,0,1,0,0|1,0,0]=3 7430 B13R1.89 CC[C@@H]1CCCCN1[C@H](C)C(=O)N f14b50244961110d566e3a3e590ac35c [0,1,0,1,0,0|2,0,0]=4 7431 B13R1.89 CC[C@@H]1CCCCN1[C@H](C)C(=O)O 0772d5dc3c6b518028e2ae007e70b30c [0,1,0,1,0,0|1,0,0]=3 7432 B13R1.89 CC[C@@H]1COCCN1C(C)C(=O)O 69dce2604ff1ed3f376f93b9ed146bb9 [0,1,0,1,0,0|2,0,0]=4 7433 B13R1.89 CC[C@@H]1COCCN1C(F)C(=O)O ba47d7a8b72b3db91d217ed7b1bfc8ef [0,1,0,1,0,0|2,0,0]=4 7434 B13R1.89 CC[C@@H]1COCCN1[C@@H](C)C(=O)O 257f179767a0e7d038d0eebe3bf54814 [0,1,0,1,0,0|2,0,0]=4 7435 B13R1.89 CC[C@@H]1COCCN1[C@@H](F)C(=O)O c2ade65c1500ec3a26b3e917e89685cd [0,1,0,1,0,0|2,0,0]=4 7436 B13R1.89 CC[C@@H]1COCCN1[C@H](C)C(=O)O 4f1852965d3a8f6e992cde215db3372c [0,1,0,1,0,0|2,0,0]=4 7437 B13R1.89 CC[C@H]1CCCCN1C(C)C(=O)C 9ee030254bcff2bd05d049ee9fb951ca [0,1,0,1,0,0|2,0,0]=4 7438 B13R1.89 CC[C@H]1CCCCN1C(C)C(=O)N c86aa167674242900b4dbb40fec999ba [0,1,0,1,0,0|2,0,0]=4 7439 B13R1.89 CC[C@H]1CCCCN1C(C)C(=O)O f44f0f870c8ef0bf711cd0be933ac183 [0,1,0,1,0,0|1,0,0]=3 7440 B13R1.89 CC[C@H]1CCCCN1C(F)C(=O)N bc488171d608c0cd255c7351fbf6b71d [0,1,0,1,0,0|2,0,0]=4 7441 B13R1.89 CC[C@H]1CCCCN1C(F)C(=O)O 4e67e80bed2b71ee31cd9918fc86ea24 [0,1,0,1,0,0|1,0,0]=3 7442 B13R1.89 CC[C@H]1CCCCN1[C@@H](C)C(=O)N 19ecb1eb8827671d8d6c885fce0923a8 [0,1,0,1,0,0|2,0,0]=4 7443 B13R1.89 CC[C@H]1CCCCN1[C@@H](C)C(=O)O 4a8874f3ed8a87ba2ab5dd46e3b6f7b4 [0,1,0,1,0,0|1,0,0]=3 7444 B13R1.89 CC[C@H]1CCCCN1[C@@H](F)C(=O)O 2095d8b490f7e6eabee8d14a7ab40847 [0,1,0,1,0,0|1,0,0]=3 7445 B13R1.89 CC[C@H]1CCCCN1[C@H](C)C(=O)N 2525db47d884b3e0ca2762ee53a47db5 [0,1,0,1,0,0|2,0,0]=4 7446 B13R1.89 CC[C@H]1CCCCN1[C@H](C)C(=O)O ca241314a45f23e37dbe95ff8844523e [0,1,0,1,0,0|1,0,0]=3 7447 B13R1.89 CC[C@H]1COCCN1C(C)C(=O)O 7e10d373d2ef8cf7aee027ca56085e65 [0,1,0,1,0,0|2,0,0]=4 7448 B13R1.89 CC[C@H]1COCCN1C(F)C(=O)O 7172c471808300f9abc6a03f50592131 [0,1,0,1,0,0|2,0,0]=4 7449 B13R1.89 CC[C@H]1COCCN1[C@@H](C)C(=O)O 0c2057c463e25bcb59263ecd7d74169c [0,1,0,1,0,0|2,0,0]=4 7450 B13R1.89 CC[C@H]1COCCN1[C@@H](F)C(=O)O 5108065354e5aa59c738014ea0e61f71 [0,1,0,1,0,0|2,0,0]=4 7451 B13R1.89 CC[C@H]1COCCN1[C@H](C)C(=O)O b29e4974b5d5b2d8e5a62e3552748ba7 [0,1,0,1,0,0|2,0,0]=4 7452 B13R1.133 C=C(CN1CCC(CC1)C)C(=O)O bc7fd0821d69c77b1b2839b7719b54a1 [0,1,0,1,0,0|1,0,1]=4 7453 B13R1.133 CC(=O)C(C)NC1CCC(CC1)C 50e4a979c72a8144e0b0111bb9a655dc [0,1,0,1,0,0|2,0,0]=4 7454 B13R1.133 CC(=O)C(C)N[C@H]1CC[C@@H](CC1)C 28a3c686ec9442022aa5b0e9a6b8d150 [0,1,0,1,0,0|2,0,0]=4 7455 B13R1.133 CC(=O)C(C)N[C@H]1CC[C@H](CC1)C 57ba7f9c1634f698170209c0a74d8d67 [0,1,0,1,0,0|2,0,0]=4 7456 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 891363b850cec3aebd5e7cd241d3ea7b [0,1,0,1,0,0|2,0,0]=4 7457 B13R1.133 CC(=O)C(C)O[C@H]1CC[C@@H](CC1)C 3346765a885627e57a2d58764a21fb17 [0,1,0,1,0,0|2,0,0]=4 7458 B13R1.133 CC(=O)C(C)O[C@H]1CC[C@H](CC1)C d18b8baa6180d35315020ae069b498c0 [0,1,0,1,0,0|2,0,0]=4 7459 B13R1.133 CC(CN1CCC(CC1)Cl)C(=O)O ad59819889c356d1a25f555d036e6e8d [0,1,0,1,0,0|2,0,0]=4 7460 B13R1.133 CC(CN1CCC(CC1)F)C(=O)O be887fe097376f90d8cc3c63814cae22 [0,1,0,1,0,0|2,0,0]=4 7461 B13R1.133 CC(CN1CCC(CC1)I)C(=O)O 4335f1babd3f8e149191acab85a78e0a [0,1,0,1,0,0|2,0,0]=4 7462 B13R1.133 CC(CN1CCC(CC1)O)C(=O)O c633ed070fbaebd2b08f0e9406bab0b9 [0,1,0,1,0,0|2,0,0]=4 7463 B13R1.133 CC(CN1CCN(CC1)C)C(=O)O d1dafa45d44e868d4752864f0e54d492 [0,1,0,1,0,0|2,0,0]=4 7464 B13R1.133 CC(NC1CCC(CC1)Cl)C(=O)O b69a27f4a7a672d225bd488ea78f3439 [0,1,0,1,0,0|2,0,0]=4 7465 B13R1.133 CC(NC1CCC(CC1)O)C(=O)O 520cfbcd6c7dd5f41467d04c24943644 [0,1,0,1,0,0|2,0,0]=4 7466 B13R1.133 CC(NC1CCN(CC1)C)C(=O)O 1374c187e6ec43696cdfb05cd01edeea [0,1,0,1,0,0|2,0,0]=4 7467 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 509f3ae13dca568971319dff1216abce [0,1,0,1,0,0|2,0,0]=4 7468 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)O ef144939999cfb6397f1856500b30292 [0,1,0,1,0,0|1,0,0]=3 7469 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)Cl)C(=O)O 45b0d7e940e0ce6f7fc139df72d53e18 [0,1,0,1,0,0|2,0,0]=4 7470 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)O)C(=O)O 4d3062d7a4531fe954afc5fb0bd04e84 [0,1,0,1,0,0|2,0,0]=4 7471 B13R1.133 CC(N[C@H]1CC[C@H](CC1)C)C(=O)N dcc2012def155a428674a351d7ccb233 [0,1,0,1,0,0|2,0,0]=4 7472 B13R1.133 CC(N[C@H]1CC[C@H](CC1)C)C(=O)O 811ccfe24916f11eee0d434219bdbc23 [0,1,0,1,0,0|1,0,0]=3 7473 B13R1.133 CC(N[C@H]1CC[C@H](CC1)Cl)C(=O)O 4fe1e4845639b9d45233e014f137c9ea [0,1,0,1,0,0|2,0,0]=4 7474 B13R1.133 CC(N[C@H]1CC[C@H](CC1)O)C(=O)O 1765d24d63604c7ba0967c03c43fd8aa [0,1,0,1,0,0|2,0,0]=4 7475 B13R1.133 CC(OC1CCN(CC1)C)C(=O)O bc9c564463260f7bfa79226ba3ed18d6 [0,1,0,1,0,0|2,0,0]=4 7476 B13R1.133 CC(O[C@H]1CC[C@@H](CC1)C)C(=O)N 517162fc702e7b7a590cc77cb7a56b7d [0,1,0,1,0,0|2,0,0]=4 7477 B13R1.133 CC(O[C@H]1CC[C@@H](CC1)C)C(=O)O 0d336d364311b3f6006770d80e5f25e7 [0,1,0,1,0,0|1,0,0]=3 7478 B13R1.133 CC(O[C@H]1CC[C@H](CC1)C)C(=O)N d3625aded42345c7358caa237d478575 [0,1,0,1,0,0|2,0,0]=4 7479 B13R1.133 CC(O[C@H]1CC[C@H](CC1)C)C(=O)O d48ca4aa64c048b69b1e5964685216d7 [0,1,0,1,0,0|1,0,0]=3 7480 B13R1.133 CC1CCC(CC1)NC(C)C(=O)N 5116fa6dcb1a4a8eebe956429e78c0c3 [0,1,0,1,0,0|2,0,0]=4 7481 B13R1.133 CC1CCC(CC1)NC(C)C(=O)O 3f1492897ff8276d61d440680f2388d2 [0,1,0,1,0,0|1,0,0]=3 7482 B13R1.133 CC1CCC(CC1)NC(F)C(=O)N 751eb47098bebde2d580947e53c045a0 [0,1,0,1,0,0|2,0,0]=4 7483 B13R1.133 CC1CCC(CC1)NC(F)C(=O)O b6ce2d158bf520c30c1c76fdc171ec58 [0,1,0,1,0,0|1,0,0]=3 7484 B13R1.133 CC1CCC(CC1)N[C@@H](C)C(=O)N 952a02430c91a57f48139cf7c5dc65e5 [0,1,0,1,0,0|2,0,0]=4 7485 B13R1.133 CC1CCC(CC1)N[C@@H](C)C(=O)O 341ea7a9b1d9aa7ad6589f412a716fe3 [0,1,0,1,0,0|1,0,0]=3 7486 B13R1.133 CC1CCC(CC1)N[C@@H](F)C(=O)O be462f4a94a01f5f1ffb8f2395455114 [0,1,0,1,0,0|1,0,0]=3 7487 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 3263e73917a30c758473caa5f6acb46e [0,1,0,1,0,0|2,0,0]=4 7488 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)O d2823c94e3d73b0eaad5cb46d09c61c6 [0,1,0,1,0,0|1,0,0]=3 7489 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 44e0a0257f9eec2aa0a9582e1ad3a3aa [0,1,0,1,0,0|2,0,0]=4 7490 B13R1.133 CC1CCC(CC1)OC(C)C(=O)O ce4b38b08806d2349afe045e72486ffa [0,1,0,1,0,0|1,0,0]=3 7491 B13R1.133 CC1CCC(CC1)OC(F)C(=O)N cb170856b4c3d45ec8836e641d421c99 [0,1,0,1,0,0|2,0,0]=4 7492 B13R1.133 CC1CCC(CC1)OC(F)C(=O)O a1f263adc0f5e15d2e45ffde872b780b [0,1,0,1,0,0|1,0,0]=3 7493 B13R1.133 CC1CCC(CC1)O[C@@H](C)C(=O)N a36cdfbf107af8baebfd732d02dbf007 [0,1,0,1,0,0|2,0,0]=4 7494 B13R1.133 CC1CCC(CC1)O[C@@H](C)C(=O)O 43035e11b63eddc3d557dbfa5436d0ee [0,1,0,1,0,0|1,0,0]=3 7495 B13R1.133 CC1CCC(CC1)O[C@@H](F)C(=O)O c1e3022f2cdf0fc54964e75265652603 [0,1,0,1,0,0|1,0,0]=3 7496 B13R1.133 CC1CCC(CC1)O[C@H](C)C(=O)N dc5c1a22f4cb2687cd976f04ff22e556 [0,1,0,1,0,0|2,0,0]=4 7497 B13R1.133 CC1CCC(CC1)O[C@H](C)C(=O)O 59042975d029a791d2383539fea49b0d [0,1,0,1,0,0|1,0,0]=3 7498 B13R1.133 CC1CCN(CC1)CC(=O)C(=O)O 2d5ad057501d9d59cd33e3674ee426cf [0,1,0,1,0,0|1,0,1]=4 7499 B13R1.133 CC1CCN(CC1)CC(C)C(=O)O 72da2df8ad90e9ecbdc09fe3a4c966cf [0,1,0,1,0,0|1,0,0]=3 7500 B13R1.133 CC1CCN(CC1)CC(O)C(=O)O 50d87dfe1c19d62e5a885fb4821ad472 [0,1,0,1,0,0|1,0,0]=3 7501 B13R1.133 CC1CCN(CC1)C[C@H](O)C(=O)O 051386ee2b3a0450ca8a97f72c3a5ffd [0,1,0,1,0,0|1,0,0]=3 7502 B13R1.133 CN1CCC(CC1)NC(F)C(=O)O 997c01615325de59989576716ed27ab9 [0,1,0,1,0,0|2,0,0]=4 7503 B13R1.133 CN1CCC(CC1)NC(O)C(=O)O 59f6e2fed06467cbefc401d78f3050fc [0,1,0,1,0,0|2,0,0]=4 7504 B13R1.133 CN1CCC(CC1)N[C@@H](F)C(=O)O 618c5bcb2d1d2d49660ac6fe1ac095fa [0,1,0,1,0,0|2,0,0]=4 7505 B13R1.133 CN1CCC(CC1)OC(F)C(=O)O d7c1895e8eee10de3c0086081eec8214 [0,1,0,1,0,0|2,0,0]=4 7506 B13R1.133 CN1CCC(CC1)O[C@@H](F)C(=O)O 95cfd10b3eb4fd0fa2299944cecb31ca [0,1,0,1,0,0|2,0,0]=4 7507 B13R1.133 C[C@@H](NC1CCC(CC1)Cl)C(=O)O 0d35dab885eae4c85909f343a0f9239c [0,1,0,1,0,0|2,0,0]=4 7508 B13R1.133 C[C@@H](NC1CCC(CC1)O)C(=O)O 34c4ce2e918473823ea63f6879a3763d [0,1,0,1,0,0|2,0,0]=4 7509 B13R1.133 C[C@@H](NC1CCN(CC1)C)C(=O)O 151c53c61ac68645ff9d185ea4a08787 [0,1,0,1,0,0|2,0,0]=4 7510 B13R1.133 C[C@@H](N[C@H]1CC[C@@H](CC1)C)C(=O)N 15b73dfa8d1afaae56077a540c8eedbc [0,1,0,1,0,0|2,0,0]=4 7511 B13R1.133 C[C@@H](N[C@H]1CC[C@@H](CC1)C)C(=O)O b9b5f6693e4890c4a1e50575972df377 [0,1,0,1,0,0|1,0,0]=3 7512 B13R1.133 C[C@@H](N[C@H]1CC[C@@H](CC1)Cl)C(=O)O 5f587dbc08f0190d2ac6ca263c666d66 [0,1,0,1,0,0|2,0,0]=4 7513 B13R1.133 C[C@@H](N[C@H]1CC[C@@H](CC1)O)C(=O)O 252c83534e0bd3e4f6afcb8e99996095 [0,1,0,1,0,0|2,0,0]=4 7514 B13R1.133 C[C@@H](N[C@H]1CC[C@H](CC1)C)C(=O)N 596cc40a05efe18daede919712ac4584 [0,1,0,1,0,0|2,0,0]=4 7515 B13R1.133 C[C@@H](N[C@H]1CC[C@H](CC1)C)C(=O)O 815700324b31bc1d19e2d139affae8ff [0,1,0,1,0,0|1,0,0]=3 7516 B13R1.133 C[C@@H](N[C@H]1CC[C@H](CC1)Cl)C(=O)O c218b719a143774134204a7f994b3119 [0,1,0,1,0,0|2,0,0]=4 7517 B13R1.133 C[C@@H](N[C@H]1CC[C@H](CC1)O)C(=O)O 05e162f508325aef055481e90cc8d070 [0,1,0,1,0,0|2,0,0]=4 7518 B13R1.133 C[C@@H](OC1CCN(CC1)C)C(=O)O 3a7bf788aa69e40269df5774d06a0f4c [0,1,0,1,0,0|2,0,0]=4 7519 B13R1.133 C[C@@H](O[C@H]1CC[C@@H](CC1)C)C(=O)N 89869d89dbda6ad82dcfbea840789330 [0,1,0,1,0,0|2,0,0]=4 7520 B13R1.133 C[C@@H](O[C@H]1CC[C@@H](CC1)C)C(=O)O f38c1f5737017e2aa4a6dd13f62cd981 [0,1,0,1,0,0|1,0,0]=3 7521 B13R1.133 C[C@@H](O[C@H]1CC[C@H](CC1)C)C(=O)N 3c4cf68c859d81e450c4339840238404 [0,1,0,1,0,0|2,0,0]=4 7522 B13R1.133 C[C@@H](O[C@H]1CC[C@H](CC1)C)C(=O)O fdc51ffb0293896c43ea017ba5d8cebf [0,1,0,1,0,0|1,0,0]=3 7523 B13R1.133 C[C@H](NC1CCC(CC1)Cl)C(=O)O b37e6e128b889102fe969e5981350715 [0,1,0,1,0,0|2,0,0]=4 7524 B13R1.133 C[C@H](NC1CCC(CC1)O)C(=O)O 05ea84a996b4a5321f04200f2ca5fb94 [0,1,0,1,0,0|2,0,0]=4 7525 B13R1.133 C[C@H](NC1CCN(CC1)C)C(=O)O fc5951312161c0c81f603c04ba55b2c5 [0,1,0,1,0,0|2,0,0]=4 7526 B13R1.133 C[C@H](N[C@H]1CC[C@@H](CC1)C)C(=O)N 9e0870f7cebe0591879c9be7d1bc31e8 [0,1,0,1,0,0|2,0,0]=4 7527 B13R1.133 C[C@H](N[C@H]1CC[C@@H](CC1)C)C(=O)O 09250cc09eba6974d264ac3f31a51842 [0,1,0,1,0,0|1,0,0]=3 7528 B13R1.133 C[C@H](N[C@H]1CC[C@@H](CC1)Cl)C(=O)O 1bd8fd08e5e369bdae405b156030ca33 [0,1,0,1,0,0|2,0,0]=4 7529 B13R1.133 C[C@H](N[C@H]1CC[C@@H](CC1)O)C(=O)O 51b8491d3695f0d49f77916b1b4af5b2 [0,1,0,1,0,0|2,0,0]=4 7530 B13R1.133 C[C@H](N[C@H]1CC[C@H](CC1)C)C(=O)N 8b359a8294b6958dd88c8fb1d642a487 [0,1,0,1,0,0|2,0,0]=4 7531 B13R1.133 C[C@H](N[C@H]1CC[C@H](CC1)C)C(=O)O a240a0329c23cc14bd33e51a9684c482 [0,1,0,1,0,0|1,0,0]=3 7532 B13R1.133 C[C@H](N[C@H]1CC[C@H](CC1)Cl)C(=O)O 3e542c597ab8307e35c6de033ea92e2a [0,1,0,1,0,0|2,0,0]=4 7533 B13R1.133 C[C@H](N[C@H]1CC[C@H](CC1)O)C(=O)O 75bbb73015b7bc54e399f72ae4e036b1 [0,1,0,1,0,0|2,0,0]=4 7534 B13R1.133 C[C@H](OC1CCN(CC1)C)C(=O)O a9fba73671359f884810d687c4ff7009 [0,1,0,1,0,0|2,0,0]=4 7535 B13R1.133 C[C@H](O[C@H]1CC[C@@H](CC1)C)C(=O)N 0f920703644d7c33b42d9b3722eeadb3 [0,1,0,1,0,0|2,0,0]=4 7536 B13R1.133 C[C@H](O[C@H]1CC[C@@H](CC1)C)C(=O)O 25122069b88ecb857167228d04f6229a [0,1,0,1,0,0|1,0,0]=3 7537 B13R1.133 C[C@H](O[C@H]1CC[C@H](CC1)C)C(=O)N 8c1f402ec16efe19c6241893cca89527 [0,1,0,1,0,0|2,0,0]=4 7538 B13R1.133 C[C@H](O[C@H]1CC[C@H](CC1)C)C(=O)O 715dfaf5db7763286a0fb107f4fc0895 [0,1,0,1,0,0|1,0,0]=3 7539 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N b57029d01c1b7944ca2fce208a830148 [0,1,0,1,0,0|2,0,0]=4 7540 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)O 964dd781782b6778862f1fe18a5ad624 [0,1,0,1,0,0|1,0,0]=3 7541 B13R1.133 C[C@H]1CC[C@@H](CC1)N[C@@H](F)C(=O)O 9618411f4d632ec23fb21b0b4a2bcae8 [0,1,0,1,0,0|1,0,0]=3 7542 B13R1.133 C[C@H]1CC[C@@H](CC1)OC(F)C(=O)N cd77fcc9ffa5c58f608a45e2ba317335 [0,1,0,1,0,0|2,0,0]=4 7543 B13R1.133 C[C@H]1CC[C@@H](CC1)OC(F)C(=O)O e8870a3d366947687a0ee285bb1b269e [0,1,0,1,0,0|1,0,0]=3 7544 B13R1.133 C[C@H]1CC[C@@H](CC1)O[C@@H](F)C(=O)O 281787cfaa5f39c0b2736dab8dbf1643 [0,1,0,1,0,0|1,0,0]=3 7545 B13R1.133 C[C@H]1CC[C@H](CC1)NC(F)C(=O)N 7a135b49ff51798d18df006ac8fba02b [0,1,0,1,0,0|2,0,0]=4 7546 B13R1.133 C[C@H]1CC[C@H](CC1)NC(F)C(=O)O 5824ccb5149d0af17b4cfaf46e80a5a8 [0,1,0,1,0,0|1,0,0]=3 7547 B13R1.133 C[C@H]1CC[C@H](CC1)N[C@@H](F)C(=O)O 0f37402d5ea84c7dba8016d2f891c37e [0,1,0,1,0,0|1,0,0]=3 7548 B13R1.133 C[C@H]1CC[C@H](CC1)OC(F)C(=O)N 240c429329e0d8f23285fd2bc133d68d [0,1,0,1,0,0|2,0,0]=4 7549 B13R1.133 C[C@H]1CC[C@H](CC1)OC(F)C(=O)O d5efa2d2cb6280c579a31686a4f7f989 [0,1,0,1,0,0|1,0,0]=3 7550 B13R1.133 C[C@H]1CC[C@H](CC1)O[C@@H](F)C(=O)O 90c261d3a12f0759f9e88a1e8f4cc05b [0,1,0,1,0,0|1,0,0]=3 7551 B13R1.133 O=C(O)C(F)NC1CCC(CC1)Cl ba061bc24dd5be4c48810207be723e46 [0,1,0,1,0,0|2,0,0]=4 7552 B13R1.133 O=C(O)C(F)NC1CCC(CC1)O 487198a99945db4819dfedf0895eb389 [0,1,0,1,0,0|2,0,0]=4 7553 B13R1.133 O=C(O)C(F)N[C@H]1CC[C@@H](CC1)Cl 5b3c3bbe27defb0bf2aae7cc3c805d8a [0,1,0,1,0,0|2,0,0]=4 7554 B13R1.133 O=C(O)C(F)N[C@H]1CC[C@@H](CC1)O 4ac1f67473321269e6ffccc45954adac [0,1,0,1,0,0|2,0,0]=4 7555 B13R1.133 O=C(O)C(F)N[C@H]1CC[C@H](CC1)Cl 03c9aa7f7e4680a2e2b8fcf4819cdf34 [0,1,0,1,0,0|2,0,0]=4 7556 B13R1.133 O=C(O)C(F)N[C@H]1CC[C@H](CC1)O b03e48c2170df48fee6ea331b1b37ef6 [0,1,0,1,0,0|2,0,0]=4 7557 B13R1.133 O=C(O)C(O)CN1CCC(CC1)Cl 86a1422e6711104ba4f56f057685e6a3 [0,1,0,1,0,0|2,0,0]=4 7558 B13R1.133 O=C(O)C(O)NC1CCC(CC1)O 6e238ee9817c529408f727cc572125a1 [0,1,0,1,0,0|2,0,0]=4 7559 B13R1.133 O=C(O)[C@@H](O)CN1CCC(CC1)Cl fc8eba16837f70b8f623a62ffdbdabbf [0,1,0,1,0,0|2,0,0]=4 7560 B13R1.133 O=C(O)[C@H](F)NC1CCC(CC1)Cl 1d4a4365059a9812356a7e21a3816ca8 [0,1,0,1,0,0|2,0,0]=4 7561 B13R1.133 O=C(O)[C@H](F)NC1CCC(CC1)O 9247f3fdc3eff2b25b14cd30e83f3c6d [0,1,0,1,0,0|2,0,0]=4 7562 B13R1.133 O=C(O)[C@H](F)N[C@H]1CC[C@@H](CC1)Cl 84c69a7fecfdc3144e28587c8c8b88cc [0,1,0,1,0,0|2,0,0]=4 7563 B13R1.133 O=C(O)[C@H](F)N[C@H]1CC[C@@H](CC1)O 868a7787063f6058c1b0f974fc511132 [0,1,0,1,0,0|2,0,0]=4 7564 B13R1.133 O=C(O)[C@H](F)N[C@H]1CC[C@H](CC1)Cl 59512478502fb033d30c233c84034886 [0,1,0,1,0,0|2,0,0]=4 7565 B13R1.133 O=C(O)[C@H](F)N[C@H]1CC[C@H](CC1)O 467cebe23541b0c1515d8afd0117bfcd [0,1,0,1,0,0|2,0,0]=4 7566 B13R1.202 C=C(CN1CCCCC1C)C(=O)O 028ef4652d9ebc98fcfff1e70e8924f3 [0,1,0,1,0,0|1,0,1]=4 7567 B13R1.202 C=C(CN1CCCC[C@@H]1C)C(=O)O 807d6fc888383487c56bab83e81117e1 [0,1,0,1,0,0|1,0,1]=4 7568 B13R1.202 C=C(CN1CCCC[C@H]1C)C(=O)O 318dd4149b4b8168eb111a94e9979f08 [0,1,0,1,0,0|1,0,1]=4 7569 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2de84271ace64d62447dc51c32d1054e [0,1,0,1,0,0|2,0,0]=4 7570 B13R1.202 CC(=O)C(C)N[C@@H]1CCCC[C@@H]1C 254ad6794126f3f7d33f2852b77356f3 [0,1,0,1,0,0|2,0,0]=4 7571 B13R1.202 CC(=O)C(C)N[C@@H]1CCCC[C@H]1C 3287e2ab437e4b803e778a3f423b4dac [0,1,0,1,0,0|2,0,0]=4 7572 B13R1.202 CC(=O)C(C)N[C@H]1CCCC[C@@H]1C 5e35f97e8c70e813fd76922bd176bc74 [0,1,0,1,0,0|2,0,0]=4 7573 B13R1.202 CC(=O)C(C)N[C@H]1CCCC[C@H]1C 166453b83ddaffb6b2fde05c32830630 [0,1,0,1,0,0|2,0,0]=4 7574 B13R1.202 CC(=O)C(C)OC1CCCCC1C e0918b12a55c6c92fe582071848f2be9 [0,1,0,1,0,0|2,0,0]=4 7575 B13R1.202 CC(=O)C(C)O[C@@H]1CCCC[C@@H]1C 4789ea3812aaea389e8920e03a755f6b [0,1,0,1,0,0|2,0,0]=4 7576 B13R1.202 CC(=O)C(C)O[C@H]1CCCC[C@@H]1C 2dab01b5a7a4d0e7fe3e73f013d34d37 [0,1,0,1,0,0|2,0,0]=4 7577 B13R1.202 CC(=O)C(C)O[C@H]1CCCC[C@H]1C 18c6c4fa9ec54e3198da5a6a5bc12c75 [0,1,0,1,0,0|2,0,0]=4 7578 B13R1.202 CC(CN1CCCCC1C)C(=O)O df18c1af9029eb81319f971d740cc7eb [0,1,0,1,0,0|1,0,0]=3 7579 B13R1.202 CC(CN1CCCC[C@@H]1C)C(=O)O a295a9eff3e1eb82430a82b4309319b5 [0,1,0,1,0,0|1,0,0]=3 7580 B13R1.202 CC(CN1CCCC[C@H]1C)C(=O)O 4fa97c30dc410ca9fb77217bd401a903 [0,1,0,1,0,0|1,0,0]=3 7581 B13R1.202 CC(CN1CCOCC1C)C(=O)O 57801a98556f0b1d3d7ec6f08243b992 [0,1,0,1,0,0|2,0,0]=4 7582 B13R1.202 CC(CN1CCOC[C@@H]1C)C(=O)O 4e3eb0ac93e961ba0d8e0e01de064c90 [0,1,0,1,0,0|2,0,0]=4 7583 B13R1.202 CC(CN1CCOC[C@H]1C)C(=O)O 2cdc34e236d343338793f72f2ff1dfff [0,1,0,1,0,0|2,0,0]=4 7584 B13R1.202 CC(NC1CCCCC1C)C(=O)N 8fc2b852271a59944926b2aac43874a5 [0,1,0,1,0,0|2,0,0]=4 7585 B13R1.202 CC(NC1CCCCC1C)C(=O)O 5d6b5e948583c96e58b7b8bd5b6826d2 [0,1,0,1,0,0|1,0,0]=3 7586 B13R1.202 CC(NC1CCCCC1F)C(=O)O 72800aa31c510e4042ada93cbc534ad4 [0,1,0,1,0,0|2,0,0]=4 7587 B13R1.202 CC(NC1CCCCC1O)C(=O)O aebe7b60da26c8a2c289251100961ad2 [0,1,0,1,0,0|2,0,0]=4 7588 B13R1.202 CC(NC1CCOCC1C)C(=O)O 484379d248d1d5ff2fbc7e2f06d09aed [0,1,0,1,0,0|2,0,0]=4 7589 B13R1.202 CC(N[C@@H]1CCCC[C@@H]1C)C(=O)N e9f60b1bb132871fc07f8b320d1990ef [0,1,0,1,0,0|2,0,0]=4 7590 B13R1.202 CC(N[C@@H]1CCCC[C@@H]1C)C(=O)O 278c06215463db071c5496005c43c414 [0,1,0,1,0,0|1,0,0]=3 7591 B13R1.202 CC(N[C@@H]1CCCC[C@H]1C)C(=O)N 12cc767477b6cfddbd2ed3577e17493e [0,1,0,1,0,0|2,0,0]=4 7592 B13R1.202 CC(N[C@@H]1CCCC[C@H]1C)C(=O)O 1a6c324662ab1f6a18c40b211d8c7f28 [0,1,0,1,0,0|1,0,0]=3 7593 B13R1.202 CC(N[C@@H]1CCCC[C@H]1O)C(=O)O 4d18b5a81f83554eb2dc0193b82ef4a6 [0,1,0,1,0,0|2,0,0]=4 7594 B13R1.202 CC(N[C@@H]1CCOC[C@@H]1C)C(=O)O 2a2b81c01624c346be3e4cdab9aeb8e2 [0,1,0,1,0,0|2,0,0]=4 7595 B13R1.202 CC(N[C@H]1CCCC[C@@H]1C)C(=O)N 75165512d5fa5f3303e728e56a9325bc [0,1,0,1,0,0|2,0,0]=4 7596 B13R1.202 CC(N[C@H]1CCCC[C@@H]1C)C(=O)O c3dec2cdac8d3438eba3c183189f4bfb [0,1,0,1,0,0|1,0,0]=3 7597 B13R1.202 CC(N[C@H]1CCCC[C@@H]1O)C(=O)O 56abe8ae2f06c6767ce5bebf92b2e622 [0,1,0,1,0,0|2,0,0]=4 7598 B13R1.202 CC(N[C@H]1CCCC[C@H]1C)C(=O)N 18174719c4e60b846392d7956968f9ea [0,1,0,1,0,0|2,0,0]=4 7599 B13R1.202 CC(N[C@H]1CCCC[C@H]1C)C(=O)O 9e88c281f82e1355a6dcd7d5578feebc [0,1,0,1,0,0|1,0,0]=3 7600 B13R1.202 CC(N[C@H]1CCCC[C@H]1O)C(=O)O 7036602a39afdf7a6317794e6606fd46 [0,1,0,1,0,0|2,0,0]=4 7601 B13R1.202 CC(N[C@H]1CCOC[C@H]1C)C(=O)O 0e66a77b83eb5ba54d6575b8aab64e14 [0,1,0,1,0,0|2,0,0]=4 7602 B13R1.202 CC(OC1CCCCC1C)C(=O)N da07c80505d3176d2e53726e2231621b [0,1,0,1,0,0|2,0,0]=4 7603 B13R1.202 CC(OC1CCCCC1C)C(=O)O 9b97962a83a4742c592016975198ee21 [0,1,0,1,0,0|1,0,0]=3 7604 B13R1.202 CC(OC1CCCCC1F)C(=O)O a8fca1fbdf0289aeacf9a0543490814e [0,1,0,1,0,0|2,0,0]=4 7605 B13R1.202 CC(OC1CCOCC1C)C(=O)O 158a195281164e1db968343bfc3e4244 [0,1,0,1,0,0|2,0,0]=4 7606 B13R1.202 CC(O[C@@H]1CCCC[C@@H]1C)C(=O)N f7037330cdca5d4975ce86bb5782bc8d [0,1,0,1,0,0|2,0,0]=4 7607 B13R1.202 CC(O[C@@H]1CCCC[C@@H]1C)C(=O)O cc4d71d5610f33bf11b778807c4189f0 [0,1,0,1,0,0|1,0,0]=3 7608 B13R1.202 CC(O[C@@H]1CCCC[C@H]1F)C(=O)O a2173fcd6314b8aaa4356aa198b12dea [0,1,0,1,0,0|2,0,0]=4 7609 B13R1.202 CC(O[C@H]1CCCC[C@@H]1C)C(=O)N bc52a7bec9860fa2498a4ba84d4153d5 [0,1,0,1,0,0|2,0,0]=4 7610 B13R1.202 CC(O[C@H]1CCCC[C@@H]1C)C(=O)O 9b6d1e3c9971f41449d97e475d4ee4a5 [0,1,0,1,0,0|1,0,0]=3 7611 B13R1.202 CC(O[C@H]1CCCC[C@H]1C)C(=O)N 8884bc23f23a9c071bc4a63e2385bf7b [0,1,0,1,0,0|2,0,0]=4 7612 B13R1.202 CC(O[C@H]1CCCC[C@H]1C)C(=O)O 30326873d77b046aa9cad38cc193a630 [0,1,0,1,0,0|1,0,0]=3 7613 B13R1.202 CC1CCCCC1NC(F)C(=O)N f7d2df82e0bf8f55e6b23c41a2788a09 [0,1,0,1,0,0|2,0,0]=4 7614 B13R1.202 CC1CCCCC1NC(F)C(=O)O 522b3ef0fd7b415ee335df1dba473826 [0,1,0,1,0,0|1,0,0]=3 7615 B13R1.202 CC1CCCCC1N[C@@H](C)C(=O)N 5e1083d12ab3cb7f51835af0599a622e [0,1,0,1,0,0|2,0,0]=4 7616 B13R1.202 CC1CCCCC1N[C@@H](C)C(=O)O df4783cc080e8e5a53df98a9733d82f6 [0,1,0,1,0,0|1,0,0]=3 7617 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)N 6c8d7ff3ffdc5dd4168a5c97ea8c5d47 [0,1,0,1,0,0|2,0,0]=4 7618 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)O 860fdffab079aa0a300263f20f933fbc [0,1,0,1,0,0|1,0,0]=3 7619 B13R1.202 CC1CCCCC1OC(F)C(=O)N ad77337a44b6bdee7d63e52ac4325aae [0,1,0,1,0,0|2,0,0]=4 7620 B13R1.202 CC1CCCCC1O[C@@H](C)C(=O)N 82d569cb7b6ddc3bd9845d1f8e7574e2 [0,1,0,1,0,0|2,0,0]=4 7621 B13R1.202 CC1CCCCC1O[C@@H](C)C(=O)O cf5a16d1fd7a66e25f91b1f999ce97bb [0,1,0,1,0,0|1,0,0]=3 7622 B13R1.202 CC1CCCCC1O[C@H](C)C(=O)N 968362fb426db4db831c264ede68b24e [0,1,0,1,0,0|2,0,0]=4 7623 B13R1.202 CC1CCCCC1O[C@H](C)C(=O)O 4ea8554eb704b42c5240d34c17fd3138 [0,1,0,1,0,0|1,0,0]=3 7624 B13R1.202 CC1CCCCN1CC(=O)C(=O)O 029e4443cbc3620d6f094aab0eacdf79 [0,1,0,1,0,0|1,0,1]=4 7625 B13R1.202 CC1COCCC1NC(F)C(=O)O d5dba2b6d97c5ca67953b1b20f60538d [0,1,0,1,0,0|2,0,0]=4 7626 B13R1.202 CC1COCCC1N[C@@H](C)C(=O)O 510bb9f8678a8e35fc982f446a9d8cb7 [0,1,0,1,0,0|2,0,0]=4 7627 B13R1.202 CC1COCCC1N[C@@H](F)C(=O)O ecc3838bf180a187c3663bf4097e6913 [0,1,0,1,0,0|2,0,0]=4 7628 B13R1.202 CC1COCCC1N[C@H](C)C(=O)O 98a00ee7d4062dbda3b75098ff75a3d8 [0,1,0,1,0,0|2,0,0]=4 7629 B13R1.202 CC1COCCC1OC(F)C(=O)O 23b9b2689582327c699ca8fad61b0af1 [0,1,0,1,0,0|2,0,0]=4 7630 B13R1.202 CC1COCCC1O[C@@H](C)C(=O)O fb80dfaae2a79d2007203b0629a7530c [0,1,0,1,0,0|2,0,0]=4 7631 B13R1.202 CC1COCCC1O[C@@H](F)C(=O)O 16626e7c1c6c0475518840f408ea760c [0,1,0,1,0,0|2,0,0]=4 7632 B13R1.202 CC1COCCC1O[C@H](C)C(=O)O fdfab5074e42dacc1d4d9c4bbd5d8e48 [0,1,0,1,0,0|2,0,0]=4 7633 B13R1.202 CC1COCCN1CC(O)C(=O)O d324f0df4ad139965eaa96b592d3427b [0,1,0,1,0,0|2,0,0]=4 7634 B13R1.202 CC1COCCN1C[C@H](O)C(=O)O 0482ba44c108d2e7aee10922f5e85a26 [0,1,0,1,0,0|2,0,0]=4 7635 B13R1.202 C[C@@H](NC1CCCCC1F)C(=O)O ab7a04a06cbeecd34302d5801f268f53 [0,1,0,1,0,0|2,0,0]=4 7636 B13R1.202 C[C@@H](NC1CCCCC1O)C(=O)O 44da4e5afc343a2d1d3d99b52ea268bb [0,1,0,1,0,0|2,0,0]=4 7637 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 7638 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 7639 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 7640 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 7641 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 7642 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 7643 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 7644 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 7645 B13R1.202 C[C@@H](OC1CCCCC1F)C(=O)O 2664672abd0bf22522f516a3a7af5151 [0,1,0,1,0,0|2,0,0]=4 7646 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 7647 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 7648 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 7649 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 7650 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 7651 B13R1.202 C[C@@H]1CCCCN1CC(=O)C(=O)O dd35e7f8b0e155ca4cc215aaaff0e31a [0,1,0,1,0,0|1,0,1]=4 7652 B13R1.202 C[C@@H]1CCCC[C@@H]1NC(F)C(=O)N c4e903bc5f66f3bbd65987be90e0750a [0,1,0,1,0,0|2,0,0]=4 7653 B13R1.202 C[C@@H]1CCCC[C@@H]1NC(F)C(=O)O b84431ebb9a01e2ac6e4f4a8d0a0d0d9 [0,1,0,1,0,0|1,0,0]=3 7654 B13R1.202 C[C@@H]1CCCC[C@@H]1NC(O)C(=O)O 7bf35f4836a12c9754028c1e8fb3027c [0,1,0,1,0,0|1,0,0]=3 7655 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 7656 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 7657 B13R1.202 C[C@@H]1CCCC[C@@H]1OC(F)C(=O)N 6bb0e335ab7fa32159fcbb3292e9d925 [0,1,0,1,0,0|2,0,0]=4 7658 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 7659 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 7660 B13R1.202 C[C@@H]1CCCC[C@H]1NC(F)C(=O)N 369b46437204f040683063bcb061540b [0,1,0,1,0,0|2,0,0]=4 7661 B13R1.202 C[C@@H]1CCCC[C@H]1NC(F)C(=O)O dec561a6ca35e5199feaccbcc89aa4eb [0,1,0,1,0,0|1,0,0]=3 7662 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 7663 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 7664 B13R1.202 C[C@@H]1COCCN1CC(O)C(=O)O c4c54edf7a851d9a22559a83fcd9f402 [0,1,0,1,0,0|2,0,0]=4 7665 B13R1.202 C[C@@H]1COCCN1C[C@H](O)C(=O)O 285ad8f88aa4d464a21cd43267c29d22 [0,1,0,1,0,0|2,0,0]=4 7666 B13R1.202 C[C@@H]1COCC[C@@H]1NC(F)C(=O)O ab98101f307351cad45ec459f18fa186 [0,1,0,1,0,0|2,0,0]=4 7667 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 7668 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 7669 B13R1.202 C[C@H](NC1CCCCC1F)C(=O)O 0612b90f20067fcdd87448ce369a9412 [0,1,0,1,0,0|2,0,0]=4 7670 B13R1.202 C[C@H](NC1CCCCC1O)C(=O)O 7ad1a7f65023023699bc9f89c07ea246 [0,1,0,1,0,0|2,0,0]=4 7671 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 7672 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 7673 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 7674 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 7675 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 7676 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 7677 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 7678 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 7679 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 7680 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 7681 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 7682 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 7683 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 7684 B13R1.202 C[C@H](OC1CCCCC1F)C(=O)O 247425b869481a647ec3ce2252c70cf6 [0,1,0,1,0,0|2,0,0]=4 7685 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 7686 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 7687 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 7688 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 7689 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 7690 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 7691 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 7692 B13R1.202 C[C@H]1CCCCN1CC(=O)C(=O)O ec68c49bc54cae6fb2e7d556354bfd9c [0,1,0,1,0,0|1,0,1]=4 7693 B13R1.202 C[C@H]1CCCC[C@@H]1NC(F)C(=O)N 06b7905e86e111df91c96268ce330901 [0,1,0,1,0,0|2,0,0]=4 7694 B13R1.202 C[C@H]1CCCC[C@@H]1NC(F)C(=O)O 48e27621b7945a73323dc8bab1016b07 [0,1,0,1,0,0|1,0,0]=3 7695 B13R1.202 C[C@H]1CCCC[C@@H]1OC(F)C(=O)N 26ae77fe32a21f087f0d3bfb7a3548d5 [0,1,0,1,0,0|2,0,0]=4 7696 B13R1.202 C[C@H]1CCCC[C@H]1NC(F)C(=O)N a72fa547971f3ab4a31d09ab67d42e90 [0,1,0,1,0,0|2,0,0]=4 7697 B13R1.202 C[C@H]1CCCC[C@H]1NC(F)C(=O)O adf3f381f55f26664ec9806e9bfe70f4 [0,1,0,1,0,0|1,0,0]=3 7698 B13R1.202 C[C@H]1CCCC[C@H]1OC(F)C(=O)N a58fadd661156049021d583041c094f8 [0,1,0,1,0,0|2,0,0]=4 7699 B13R1.202 C[C@H]1COCCN1CC(O)C(=O)O f3b1e178e51792f38b12a4eb9f69d608 [0,1,0,1,0,0|2,0,0]=4 7700 B13R1.202 C[C@H]1COCCN1C[C@H](O)C(=O)O 34d0482ad2e906e36db3415f96f060c8 [0,1,0,1,0,0|2,0,0]=4 7701 B13R1.202 C[C@H]1COCC[C@H]1NC(F)C(=O)O 70d3976a57e4b9d3519b8ed47381cb23 [0,1,0,1,0,0|2,0,0]=4 7702 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 7703 B13R1.202 O=C(O)C(F)NC1CCCCC1O 7055adaf6ce26a70842fa418843715b2 [0,1,0,1,0,0|2,0,0]=4 7704 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 7705 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 7706 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 7707 B13R1.202 O=C(O)C(F)OC1CCCCC1F 11e61dd6d2f3b1971c10547c2c079f75 [0,1,0,1,0,0|2,0,0]=4 7708 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 7709 B13R1.202 O=C(O)C(O)NC1CCCCC1F 4598c5768dd6284e07cbcb698dd708a4 [0,1,0,1,0,0|2,0,0]=4 7710 B13R1.202 O=C(O)[C@H](F)NC1CCCCC1O 3a36c8eb4db8fd57c1ff14cb1c724dd5 [0,1,0,1,0,0|2,0,0]=4 7711 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 7712 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 7713 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 7714 B13R1.1126 C=C(CN(CC)C1CCC1)C(=O)O d621a170cc2e13e2787aa6ff41b08bda [0,1,0,1,0,0|1,0,1]=4 7715 B13R1.1126 CC(N[C@H](CO)C1CCC1)C(=O)O 4e389532f251614dc10c8ad2bdfae44a [0,1,0,1,0,0|2,0,0]=4 7716 B13R1.1126 CCC(NC(C)C(=O)O)C1COC1 7664fab81cc03d85518b8e312556d5e1 [0,1,0,1,0,0|2,0,0]=4 7717 B13R1.1126 CCC(N[C@@H](C)C(=O)O)C1COC1 cc6bc1d50ad90a379c772652a5f478e0 [0,1,0,1,0,0|2,0,0]=4 7718 B13R1.1126 CCC(N[C@H](C)C(=O)O)C1COC1 16c09b50bc697a799d6900a33d1a8268 [0,1,0,1,0,0|2,0,0]=4 7719 B13R1.1126 CCN(CC(C)C(=O)O)C1COC1 a7d3f8bdc6526e3d8057d47320a896ee [0,1,0,1,0,0|2,0,0]=4 7720 B13R1.1126 C[C@@H](N[C@H](CO)C1CCC1)C(=O)O 96f7c5937450cbc434305b3363764e97 [0,1,0,1,0,0|2,0,0]=4 7721 B13R1.1126 C[C@H](N[C@H](CO)C1CCC1)C(=O)O 570cab78a7caf36035e5a1654f3eb004 [0,1,0,1,0,0|2,0,0]=4 7722 B13R1.1634 CC1(CCN(C1)CCCF)C(=O)O 55e6b5e03e8ea0786322b59f2fe947f9 [0,1,0,1,0,0|2,0,0]=4 7723 B13R1.1634 CC1(CCN(C1)CCCO)C(=O)O a7bb31a4e1e7785dcf9eec318063ed6b [0,1,0,1,0,0|2,0,0]=4 7724 B13R1.1634 CC1(CCN(C1)CCCS)C(=O)O b5f331ed44a4548f2e7e26a7897a4e8f [0,1,0,1,0,0|2,0,0]=4 7725 B13R1.1634 CCCCN1CCC(C1)(C)C(=O)N 55dc3a35f65ee03ab0d57c00f4907b26 [0,1,0,1,0,0|2,0,0]=4 7726 B13R1.1634 CCCCN1CCC(C1)(C)C(=O)O aac6737b725ed1394c9c3b776e62f586 [0,1,0,1,0,0|1,0,0]=3 7727 B13R1.1634 CCCCN1CCC(C1)(F)C(=O)O 6f0e69497dc4ede224a9aba8faadda97 [0,1,0,1,0,0|1,0,0]=3 7728 B13R1.1634 CCCCN1CCC(C1)(O)C(=O)O 12acfd33c07c5eb931eda4e61c09e196 [0,1,0,1,0,0|1,0,0]=3 7729 B13R1.1634 CCCCN1CC[C@@](C1)(C)C(=O)N ba57dc6692a4436213f2dd915f2759eb [0,1,0,1,0,0|2,0,0]=4 7730 B13R1.1634 CCCCN1CC[C@@](C1)(C)C(=O)O 8237f3026fa3612af89125e57016c7b0 [0,1,0,1,0,0|1,0,0]=3 7731 B13R1.1634 CCCCN1CC[C@](C1)(C)C(=O)N 9952585f152a3bd9696629380a955f60 [0,1,0,1,0,0|2,0,0]=4 7732 B13R1.1634 CCCCN1CC[C@](C1)(C)C(=O)O 6577bece5be7627d4cb8a8e9e83f59b9 [0,1,0,1,0,0|1,0,0]=3 7733 B13R1.1634 CCOCN1CCC(C1)(C)C(=O)O 7ada048f9c5d53319cfd0d186a96eb96 [0,1,0,1,0,0|2,0,0]=4 7734 B13R1.1634 CCOCN1CCC(C1)(F)C(=O)O bdb865e3fc3d756dd0b9766ffde0b6ad [0,1,0,1,0,0|2,0,0]=4 7735 B13R1.1634 CCOCN1CCC(C1)(O)C(=O)O 00f4941b76dad2d14a8d8ec77455474e [0,1,0,1,0,0|2,0,0]=4 7736 B13R1.1634 CCOCN1CC[C@@](C1)(C)C(=O)O 057aea3316888a73e116e5fe37979dec [0,1,0,1,0,0|2,0,0]=4 7737 B13R1.1634 CCOCN1CC[C@](C1)(C)C(=O)O 1b582f41691c29371ab006414ff80c93 [0,1,0,1,0,0|2,0,0]=4 7738 B13R1.1634 COCCN1CCC(C1)(C)C(=O)O 54a9711c3f932817e6900216d9d2d8e8 [0,1,0,1,0,0|2,0,0]=4 7739 B13R1.1634 COCCN1CCC(C1)(F)C(=O)O c52dfe8d0c99ed686df2b8238d5625b3 [0,1,0,1,0,0|2,0,0]=4 7740 B13R1.1634 COCCN1CCC(C1)(O)C(=O)O 0aa64e0e3c2036ed5d189ff16d8cbd3d [0,1,0,1,0,0|2,0,0]=4 7741 B13R1.1634 COCCN1CC[C@@](C1)(C)C(=O)O 3b64ff60d2b2af46f9078e5cdb09d64b [0,1,0,1,0,0|2,0,0]=4 7742 B13R1.1634 COCCN1CC[C@](C1)(C)C(=O)O 3fc9b5d5c9deb5b57d4db11555bed155 [0,1,0,1,0,0|2,0,0]=4 7743 B13R1.1634 CSCCN1CCC(C1)(C)C(=O)O 510cae83c02d6ee0bf45aae72f42b4c6 [0,1,0,1,0,0|2,0,0]=4 7744 B13R1.1634 CSCCN1CCC(C1)(F)C(=O)O 262a206bf5f1d20ea592f334e33f4441 [0,1,0,1,0,0|2,0,0]=4 7745 B13R1.1634 CSCCN1CCC(C1)(O)C(=O)O 61e109fc607cf8231dd4fddf41697322 [0,1,0,1,0,0|2,0,0]=4 7746 B13R1.1634 CSCCN1CC[C@@](C1)(C)C(=O)O ed50fb1b1d4d6a928c4927c1a54b5508 [0,1,0,1,0,0|2,0,0]=4 7747 B13R1.1634 CSCCN1CC[C@](C1)(C)C(=O)O 2eb968d353fa973f82540abdf4d9eee1 [0,1,0,1,0,0|2,0,0]=4 7748 B13R1.1634 C[C@@]1(CCN(C1)CCCF)C(=O)O 89dfa123aa9d9b7dba54e4dedd11e6fb [0,1,0,1,0,0|2,0,0]=4 7749 B13R1.1634 C[C@@]1(CCN(C1)CCCO)C(=O)O 2da5052c3123e34f53143ae66426db8e [0,1,0,1,0,0|2,0,0]=4 7750 B13R1.1634 C[C@@]1(CCN(C1)CCCS)C(=O)O 8237e0b6d3be9acca0b6c3f1eda20d29 [0,1,0,1,0,0|2,0,0]=4 7751 B13R1.1634 C[C@]1(CCN(C1)CCCF)C(=O)O ddc14c28fbd4afe53d5044be5c9bfb50 [0,1,0,1,0,0|2,0,0]=4 7752 B13R1.1634 C[C@]1(CCN(C1)CCCO)C(=O)O e3815eb1e42d423b0e96f4117eb2f15a [0,1,0,1,0,0|2,0,0]=4 7753 B13R1.1634 C[C@]1(CCN(C1)CCCS)C(=O)O c51210ba2a704914e28b3371b5989530 [0,1,0,1,0,0|2,0,0]=4 7754 B13R1.1634 O=C(O)C1(CCN(C1)CCCF)F 728f57679968d7402af7d0958d83d631 [0,1,0,1,0,0|2,0,0]=4 7755 B13R1.1634 O=C(O)C1(CCN(C1)CCCF)O b8c917e75b59d6ad4ec132a77bfb96df [0,1,0,1,0,0|2,0,0]=4 7756 B13R1.1634 O=C(O)C1(CCN(C1)CCCO)F 336e172349677bf80f7ca251d436e6ea [0,1,0,1,0,0|2,0,0]=4 7757 B13R1.1634 O=C(O)C1(CCN(C1)CCCO)O f53819e6477013e57638b17e093c28fe [0,1,0,1,0,0|2,0,0]=4 7758 B13R1.1634 O=C(O)C1(CCN(C1)CCCS)F 66121cc047f57784d3e77b8e66bf61c9 [0,1,0,1,0,0|2,0,0]=4 7759 B13R1.1634 O=C(O)C1(CCN(C1)CCCS)O f07772394c5fcbd339cabf5235bb726c [0,1,0,1,0,0|2,0,0]=4 7760 B13R1.2688 C=C(CN(CC)CC1CC1)C(=O)O bf69dbd12e5571273fcac9ad93490716 [0,1,0,1,0,0|1,0,1]=4 7761 B13R1.2688 CCN(CC(=O)C(=O)O)CC1CC1 efaa11de67d263ece29340f758d5fc74 [0,1,0,1,0,0|1,0,1]=4 7762 B13R1.2688 CCN(CC1CC1)CC(C)C(=O)O b6d32e0efdf8a00236031009bebf7128 [0,1,0,1,0,0|1,0,0]=3 7763 B13R1.2688 CCN(CC1CC1)CC(O)C(=O)O 83d2e694783abb3bc42ca38ddabb8d18 [0,1,0,1,0,0|1,0,0]=3 7764 B13R1.2688 CCN(CC1CC1)C[C@H](O)C(=O)O e83abc3c58a051f9e2871bf727d36de4 [0,1,0,1,0,0|1,0,0]=3 7765 B13R1.2885 CC(CN1CCC1CCO)C(=O)O aac05442378543b89233bdc4f257fb3b [0,1,0,1,0,0|2,0,0]=4 7766 B13R1.2885 COCC1CCN1CC(C)C(=O)O 57d467e9012bdc61016599c8b2209a27 [0,1,0,1,0,0|2,0,0]=4 7767 B13R1.2885 COC[C@@H]1CCN1CC(C)C(=O)O 379e2bc46a153bb017915070eb105ccd [0,1,0,1,0,0|2,0,0]=4 7768 B13R1.2885 COC[C@H]1CCN1CC(C)C(=O)O bca0acdd4decc494581f97ac146b41b8 [0,1,0,1,0,0|2,0,0]=4 7769 B13R1.2885 O=C(O)C(O)CN1CCC1CCO dd2e7932c303427a19321e15ed322d9b [0,1,0,1,0,0|2,0,0]=4 7770 B13R1.2885 O=C(O)[C@@H](O)CN1CCC1CCO af4e382c07011aeeda90f66033830824 [0,1,0,1,0,0|2,0,0]=4 7771 B13R1.5896 CC(CN1CCC(C1C)O)C(=O)O 0364df0e4c1070c4194b43d505094c86 [0,1,0,1,0,0|2,0,0]=4 7772 B13R1.5896 CC(CN1CC[C@@H]([C@@H]1C)O)C(=O)O aef58fb315eb8e10a4a78faf134c4b41 [0,1,0,1,0,0|2,0,0]=4 7773 B13R1.5896 CC(CN1CC[C@H]([C@H]1C)O)C(=O)O e26f2118019e0b3b41d79043f0e261cc [0,1,0,1,0,0|2,0,0]=4 7774 B13R1.6192 C=C(CN1CCCCCC1)C(=O)O ba2e3c58c97142d882e2c67ceffa7277 [0,1,0,1,0,0|1,0,1]=4 7775 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 e20cd24bc8ac41e99d315602773aa5c2 [0,1,0,1,0,0|2,0,0]=4 7776 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 be191ce54c8ab62216fb579b0830145b [0,1,0,1,0,0|2,0,0]=4 7777 B13R1.6192 CC(=O)N(C)CC1CCCCCC1 420e07c0af1fab03e7ee219e3b084a71 [0,1,0,1,0,0|2,0,0]=4 7778 B13R1.6192 CC(CN1CCCCCC1)C(=O)O 15e4dace6b348984ff9dce1f7ee078dc [0,1,0,1,0,0|1,0,0]=3 7779 B13R1.6192 CC(CN1CCCOCC1)C(=O)O 6fb4ab28892174e3a35475c1d603452a [0,1,0,1,0,0|2,0,0]=4 7780 B13R1.6192 CC(NC1CCCCCC1)C(=O)N fb390ba99047b472cf53f4f5ffe748a2 [0,1,0,1,0,0|2,0,0]=4 7781 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 572ec9126e5b4722882fcdd8037bf021 [0,1,0,1,0,0|2,0,0]=4 7782 B13R1.6192 CC(OC1CCCCCC1)C(=O)O cea0c21865feff57c6234e5e0c31886b [0,1,0,1,0,0|1,0,0]=3 7783 B13R1.6192 CC(OC1CCCOCC1)C(=O)O 62b6ec8cfe27acf94e622255d50f062b [0,1,0,1,0,0|2,0,0]=4 7784 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N b67c6ea2811838eb8afd8a4accf5f2a9 [0,1,0,1,0,0|2,0,0]=4 7785 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)N aad81aa919bd044e20cf09cf3ba3acbd [0,1,0,1,0,0|2,0,0]=4 7786 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)O f0b96e389dd2596a394c90bf554f0c2e [0,1,0,1,0,0|1,0,0]=3 7787 B13R1.6192 C[C@@H](OC1CCCOCC1)C(=O)O db7ea7b4f56944f34709824e97f520df [0,1,0,1,0,0|2,0,0]=4 7788 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)N 206179ffd0bc828894ea40039a958c89 [0,1,0,1,0,0|2,0,0]=4 7789 B13R1.6192 C[C@H](OC1CCCCCC1)C(=O)N 0f3d54a05e18e129e8ceec072fbe3d8a [0,1,0,1,0,0|2,0,0]=4 7790 B13R1.6192 C[C@H](OC1CCCCCC1)C(=O)O 301439472fa55ed1ebcb3f16210635e9 [0,1,0,1,0,0|1,0,0]=3 7791 B13R1.6192 C[C@H](OC1CCCOCC1)C(=O)O 98078fb1e6ca3c5ef4a778be3af1e205 [0,1,0,1,0,0|2,0,0]=4 7792 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 53c50472ad308c9ce602a057b19fcb9c [0,1,0,1,0,0|2,0,0]=4 7793 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 4211f31764ae9055ee865d7efe5231df [0,1,0,1,0,0|2,0,0]=4 7794 B13R1.6192 O=C(O)C(=O)CN1CCCCCC1 d1fd5af69717f1b1ecf25042cd9ced0c [0,1,0,1,0,0|1,0,1]=4 7795 B13R1.6192 O=C(O)C(F)OC1CCCCCC1 bd10530074ae412f3af22eaad012892b [0,1,0,1,0,0|1,0,0]=3 7796 B13R1.6192 O=C(O)C(O)NC1CCCCCC1 b448af842345d463dbd22bc167b9ed8a [0,1,0,1,0,0|1,0,0]=3 7797 B13R1.6552 CCN1CCOCC(C1)(C)C(=O)O 2a84665c0c9d1eae794aef3a19cd5962 [0,1,0,1,0,0|2,0,0]=4 7798 B13R1.514 CC(=O)NCC1(CCC(CC1)C)C ff46262ef584e4eecc24613950e1cdf8 [0,1,0,1,0,0|2,0,0]=4 7799 B13R1.514 CC(=O)NCC1(CCC(CC1)C)O 9d3c8fb1d763f92d7961d134ff2fb3bf [0,1,0,1,0,0|2,0,0]=4 7800 B13R1.514 CN1CCC(CC1)(C)NCC(=O)O c952411502af1ca57ff43e20f793cb19 [0,1,0,1,0,0|2,0,0]=4 7801 B13R1.8682 CC(=O)NCC1(CCCCCC1)O 05e381ef12f965fa7044b11b7187d7c9 [0,1,0,1,0,0|2,0,0]=4 7802 B13R1.8682 CC1(CCCCCC1)NCC(=O)N a7c150af34f05be0fae79904140ce559 [0,1,0,1,0,0|2,0,0]=4 7803 B13R1.8682 CC1(CCCCCC1)NCC(=O)O 850d4438c80bad5eb001a974942f2361 [0,1,0,1,0,0|1,0,0]=3 7804 B13R1.341 CC(=O)CCN1CCC(CC1)(C)C b0a14db4c1872740be4cf4c64e390d6f [0,1,0,1,0,0|2,0,0]=4 7805 B13R1.341 CC(=O)CCN1CCC(CC1)(C)O 3e3eb1948e36521b616df9942be63186 [0,1,0,1,0,0|2,0,0]=4 7806 B13R1.341 CC(=O)NCC1CCC(CC1)(C)O 7471cb5789d54110521b45e5b1ea0acb [0,1,0,1,0,0|2,0,0]=4 7807 B13R1.341 CC(=O)NC[C@H]1CC[C@](CC1)(C)O 08f5fa8e0913e90c3a260e2ede984a91 [0,1,0,1,0,0|2,0,0]=4 7808 B13R1.341 CC1(CCC(CC1)NCC(=O)N)C 4859c5f0fb7a38bd15d9cb3eff903c5a [0,1,0,1,0,0|2,0,0]=4 7809 B13R1.341 CC1(CCC(CC1)NCC(=O)N)O f4498e8c36b69830a04bb4b31cf8ea79 [0,1,0,1,0,0|2,0,0]=4 7810 B13R1.341 CC1(CCC(CC1)NCC(=O)O)C e4d212d7fb4bd0c85a7636a5c1c2bb32 [0,1,0,1,0,0|1,0,0]=3 7811 B13R1.341 CC1(CCC(CC1)NCC(=O)O)O 9f41fefbeacb8b1458f38772a2406811 [0,1,0,1,0,0|1,0,0]=3 7812 B13R1.341 CC1(CCC(CC1)OCC(=O)N)C 996efc74e98bd2484e5569abbe771660 [0,1,0,1,0,0|2,0,0]=4 7813 B13R1.341 CC1(CCC(CC1)OCC(=O)O)C 09396126186b19ad12f61691216d543d [0,1,0,1,0,0|1,0,0]=3 7814 B13R1.341 CC1(CCC(CO1)NCC(=O)O)C f6df03878d2316dc2f9c798c1c50e53e [0,1,0,1,0,0|2,0,0]=4 7815 B13R1.341 CC1(CCN(CC1)CCC(=O)N)C df02a3cd999cf3c3d7c7743adae5d3e8 [0,1,0,1,0,0|2,0,0]=4 7816 B13R1.341 CC1(CCN(CC1)CCC(=O)N)O 85e7e123204b725345518ee41e6aeb84 [0,1,0,1,0,0|2,0,0]=4 7817 B13R1.341 CC1(CCN(CC1)CCC(=O)O)C 473df91ec42917bdfbb31f40abb5cb4f [0,1,0,1,0,0|1,0,0]=3 7818 B13R1.341 CC1(CCN(CC1)CCC(=O)O)O 214e9ddaea662363e78056acd4f2e2ae [0,1,0,1,0,0|1,0,0]=3 7819 B13R1.341 C[C@@]1(CC[C@@H](CC1)NCC(=O)N)O ae4c21ba7ebb3a79510410971e95005d [0,1,0,1,0,0|2,0,0]=4 7820 B13R1.341 C[C@@]1(CC[C@@H](CC1)NCC(=O)O)O b0d3c7ab3b0d68cbe7a0f7ff1750f8db [0,1,0,1,0,0|1,0,0]=3 7821 B13R1.341 C[C@@]1(CC[C@H](CC1)NCC(=O)N)O 4c3f6aec40a0a891d09648118ce00fcf [0,1,0,1,0,0|2,0,0]=4 7822 B13R1.341 C[C@@]1(CC[C@H](CC1)NCC(=O)O)O d0a44f815fb05b98c632ea79f49fc0dc [0,1,0,1,0,0|1,0,0]=3 7823 B13R1.341 O=C(O)CCN1CCC(CC1)(F)F 77f387b5f2558736b7fca09f893c4b44 [0,1,0,1,0,0|2,0,0]=4 7824 B13R1.341 O=C(O)CNC1CCC(CC1)(F)F 7fe3fe7a6d59d45fd5054ed2f4bb2b40 [0,1,0,1,0,0|2,0,0]=4 7825 B13R1.341 O=C(O)COC1CCC(CC1)(F)F d6ccd0a366b09d149c85905549bedcf3 [0,1,0,1,0,0|2,0,0]=4 7826 B13R1.1983 C=C(C)CCN1CCC1CC(=O)O 802ed96b9d98a008b55e8ea6083dc511 [0,1,0,1,0,0|1,0,1]=4 7827 B13R1.1983 CC(=O)CCN1CCC1CC(=O)O d41b3a9d607a97a92f1314051d0ddea7 [0,1,0,1,0,0|1,0,1]=4 7828 B13R1.1983 CC(C)CCN1CCC1CC(=O)O 228bc52453b8f3bb36c74e915b01734b [0,1,0,1,0,0|1,0,0]=3 7829 B13R1.1983 CC(C)OCN1CCC1CC(=O)O c8f53049693b9f892ee15633c670ccc1 [0,1,0,1,0,0|2,0,0]=4 7830 B13R1.1983 CC(O)CCN1CCC1CC(=O)O 1552f7087a758bef00ff0fb153eedc41 [0,1,0,1,0,0|1,0,0]=3 7831 B13R1.1983 CN(C)CCN1CCC1CC(=O)O 6a14d55a2435eee5fd7f21d722ec09c4 [0,1,0,1,0,0|2,0,0]=4 7832 B13R1.1983 CS(=O)CCN1CCC1CC(=O)O ca2828dcda09328309160e0920e915f7 [0,1,0,1,0,0|2,0,0]=4 7833 B13R1.1985 C=C(C)CCN1CCC(C1)C(=O)O fba0f1a55d4432a060e75bf79232dc67 [0,1,0,1,0,0|1,0,1]=4 7834 B13R1.1985 C=C(C)CCN1CC[C@@H](C1)C(=O)O 8cc1b1a6a0aad6fd08e13ed299e7e832 [0,1,0,1,0,0|1,0,1]=4 7835 B13R1.1985 C=C(C)CCN1CC[C@H](C1)C(=O)O 51608d11e84d42080b77dfbdbeafbdcf [0,1,0,1,0,0|1,0,1]=4 7836 B13R1.1985 C=C(C)CNC1CCC(C1)C(=O)O 5baecc23eec0110b849a9d07fde147fc [0,1,0,1,0,0|1,0,1]=4 7837 B13R1.1985 C=C(C)CN[C@@H]1CC[C@@H](C1)C(=O)O d2d1a70ea76de0452d5eaad6aa3c41d9 [0,1,0,1,0,0|1,0,1]=4 7838 B13R1.1985 C=C(C)CN[C@@H]1CC[C@H](C1)C(=O)O 0b27f9f9092490b21ff7a70d9896ee8e [0,1,0,1,0,0|1,0,1]=4 7839 B13R1.1985 C=C(C)CN[C@H]1CC[C@@H](C1)C(=O)O cfe61ef921d5cd35432623554084b4d0 [0,1,0,1,0,0|1,0,1]=4 7840 B13R1.1985 C=C(C)CN[C@H]1CC[C@H](C1)C(=O)O 7473513c0f5e163aaf0b3824b28df7ea [0,1,0,1,0,0|1,0,1]=4 7841 B13R1.1985 C=C(C)COC1CCC(C1)C(=O)O 5432b282c4f8812b1d698d67b3598f3f [0,1,0,1,0,0|1,0,1]=4 7842 B13R1.1985 C=C(C)CO[C@@H]1CC[C@@H](C1)C(=O)O 460fd9b50e06ff67c9c0d54f0abbf03b [0,1,0,1,0,0|1,0,1]=4 7843 B13R1.1985 C=C(C)CO[C@@H]1CC[C@H](C1)C(=O)O feb6b80102868d782a88e4def745a0b2 [0,1,0,1,0,0|1,0,1]=4 7844 B13R1.1985 C=C(C)CO[C@H]1CC[C@@H](C1)C(=O)O 96ca6a7ed12424d3b6150fdf10c99508 [0,1,0,1,0,0|1,0,1]=4 7845 B13R1.1985 C=C(C)CO[C@H]1CC[C@H](C1)C(=O)O e9c5bf4fae3b452249d35eb72fd483cf [0,1,0,1,0,0|1,0,1]=4 7846 B13R1.1985 CC(=O)C1CCN(C1)CCC(=O)O 8d52ae581549f6ff37431f6c13cfde4b [0,1,0,1,0,0|1,0,1]=4 7847 B13R1.1985 CC(=O)C1CCN(C1)CCC(C)C c25fa91bd8216a04b5afd98d7ff74bc5 [0,1,0,1,0,0|2,0,0]=4 7848 B13R1.1985 CC(=O)C1CCN(C1)CCC(C)O 9ebc8dcf26fca112998ba590eebb7506 [0,1,0,1,0,0|2,0,0]=4 7849 B13R1.1985 CC(=O)CCN1CCC(C1)C(=O)O 1eede0d04281da3c4ff49dbaf350b81e [0,1,0,1,0,0|1,0,1]=4 7850 B13R1.1985 CC(=O)CCN1CC[C@@H](C1)C(=O)O 9ba5bf7486de3f53c55372ae13f3911c [0,1,0,1,0,0|1,0,1]=4 7851 B13R1.1985 CC(=O)CCN1CC[C@H](C1)C(=O)O b4e03e63eaa271c738dc6972c8cbe4e1 [0,1,0,1,0,0|1,0,1]=4 7852 B13R1.1985 CC(=O)CNC1CCC(C1)C(=O)O 5e7d0b6d4fbde811ffb086cc37a5016d [0,1,0,1,0,0|1,0,1]=4 7853 B13R1.1985 CC(=O)COC1CCC(C1)C(=O)O 38b99e804b478b8de2fa76b8d4dc8a00 [0,1,0,1,0,0|1,0,1]=4 7854 B13R1.1985 CC(C)CCN1CCC(C1)C(=O)N 7f9ccb027c4411bad41aeb4c062b71fb [0,1,0,1,0,0|2,0,0]=4 7855 B13R1.1985 CC(C)CCN1CCC(C1)C(=O)O 80a164169afd4ac774404aed06e90b97 [0,1,0,1,0,0|1,0,0]=3 7856 B13R1.1985 CC(C)CCN1CC[C@@H](C1)C(=O)N 75b740fb9ce359ccc7ae4eb4d5e6bb58 [0,1,0,1,0,0|2,0,0]=4 7857 B13R1.1985 CC(C)CCN1CC[C@@H](C1)C(=O)O 3b1e9e03d02f9573512436e85885b6a8 [0,1,0,1,0,0|1,0,0]=3 7858 B13R1.1985 CC(C)CCN1CC[C@H](C1)C(=O)N 2021ef4183bd2a492b8906fc8d1fc8b4 [0,1,0,1,0,0|2,0,0]=4 7859 B13R1.1985 CC(C)CCN1CC[C@H](C1)C(=O)O a2a2a813da6184d54d4f69d9bd96f9e9 [0,1,0,1,0,0|1,0,0]=3 7860 B13R1.1985 CC(C)CNC1CCC(C1)C(=O)N 0dc1f4976040b7816942dc164de67932 [0,1,0,1,0,0|2,0,0]=4 7861 B13R1.1985 CC(C)CNC1CCC(C1)C(=O)O c0e6a9d7a373de2d1d1352afb4d46562 [0,1,0,1,0,0|1,0,0]=3 7862 B13R1.1985 CC(C)CN[C@@H]1CC[C@@H](C1)C(=O)N b8fdb8f909369775b175276ff318457d [0,1,0,1,0,0|2,0,0]=4 7863 B13R1.1985 CC(C)CN[C@@H]1CC[C@@H](C1)C(=O)O 9b126dcb7c65dd583820ad5b4c79af16 [0,1,0,1,0,0|1,0,0]=3 7864 B13R1.1985 CC(C)CN[C@@H]1CC[C@H](C1)C(=O)N 686b7e6b87d6e3209c33e308bdda86a9 [0,1,0,1,0,0|2,0,0]=4 7865 B13R1.1985 CC(C)CN[C@@H]1CC[C@H](C1)C(=O)O 6fe5320ac2714c711d3837e980482c7d [0,1,0,1,0,0|1,0,0]=3 7866 B13R1.1985 CC(C)CN[C@H]1CC[C@@H](C1)C(=O)N d282f683f31b8dd217aea5b4d56d5de0 [0,1,0,1,0,0|2,0,0]=4 7867 B13R1.1985 CC(C)CN[C@H]1CC[C@@H](C1)C(=O)O efebf0e1f164e311d4e4fc9637c59b92 [0,1,0,1,0,0|1,0,0]=3 7868 B13R1.1985 CC(C)CN[C@H]1CC[C@H](C1)C(=O)N fb71e72cd1f8d72dec8d982fe6ac214a [0,1,0,1,0,0|2,0,0]=4 7869 B13R1.1985 CC(C)CN[C@H]1CC[C@H](C1)C(=O)O 405741c35f10c86fba3e4e96e182eaf9 [0,1,0,1,0,0|1,0,0]=3 7870 B13R1.1985 CC(C)COC1CCC(C1)C(=O)O 9dd22e45c886358ab449e7d6e4e0496a [0,1,0,1,0,0|1,0,0]=3 7871 B13R1.1985 CC(C)CO[C@@H]1CC[C@@H](C1)C(=O)O ac756f77a5e0fe20703c7de77ab4d900 [0,1,0,1,0,0|1,0,0]=3 7872 B13R1.1985 CC(C)CO[C@@H]1CC[C@H](C1)C(=O)O aea5c79fefad78834faf07238db9e8ce [0,1,0,1,0,0|1,0,0]=3 7873 B13R1.1985 CC(C)CO[C@H]1CC[C@@H](C1)C(=O)O 1d3a9f4e55171ec9f6c7cd5dbb0fb8c2 [0,1,0,1,0,0|1,0,0]=3 7874 B13R1.1985 CC(C)CO[C@H]1CC[C@H](C1)C(=O)O dbb22d59f38f486e95efe2c40d313725 [0,1,0,1,0,0|1,0,0]=3 7875 B13R1.1985 CC(C)N1CCC(C1)NCC(=O)O 49abbe4915068245bb50a675d8e07f0f [0,1,0,1,0,0|2,0,0]=4 7876 B13R1.1985 CC(C)N1CCC(C1)OCC(=O)O e888b3ca5fd0c6be6f44bfd81aa616d1 [0,1,0,1,0,0|2,0,0]=4 7877 B13R1.1985 CC(C)N1CC[C@@H](C1)NCC(=O)O a704f06048d9444493d772b8ab85058a [0,1,0,1,0,0|2,0,0]=4 7878 B13R1.1985 CC(C)N1CC[C@@H](C1)OCC(=O)O 4bf95e4d6fe1404dcdb6afd1a1582965 [0,1,0,1,0,0|2,0,0]=4 7879 B13R1.1985 CC(C)N1CC[C@H](C1)NCC(=O)O bf553b15c5ecf4a6201c0d7c9881901b [0,1,0,1,0,0|2,0,0]=4 7880 B13R1.1985 CC(C)N1CC[C@H](C1)OCC(=O)O 62b442a7966cdba271eb6e2b76bd4ea0 [0,1,0,1,0,0|2,0,0]=4 7881 B13R1.1985 CC(C)OCN1CCC(C1)C(=O)O e423af3eeef0ce51d0e2b74e27c4e5bf [0,1,0,1,0,0|2,0,0]=4 7882 B13R1.1985 CC(C)OCN1CC[C@@H](C1)C(=O)O 5ea2d1447b88f0b1629da5dc04d86c35 [0,1,0,1,0,0|2,0,0]=4 7883 B13R1.1985 CC(C)OCN1CC[C@H](C1)C(=O)O 3a507510de1d449dd2f0c70c9b52dd25 [0,1,0,1,0,0|2,0,0]=4 7884 B13R1.1985 CC(F)COC1CCC(C1)C(=O)O 0c939b5462157bd263e7f2a824fe98ac [0,1,0,1,0,0|1,0,0]=3 7885 B13R1.1985 CC(O)CCN1CCC(C1)C(=O)N f5c7a1c0e7c6dcdd483f47e52774cb5c [0,1,0,1,0,0|2,0,0]=4 7886 B13R1.1985 CC(O)CCN1CCC(C1)C(=O)O 53af9442a40aef249925dc2c5ca5ca7b [0,1,0,1,0,0|1,0,0]=3 7887 B13R1.1985 CC(O)CCN1CC[C@@H](C1)C(=O)N b24cdd80f0b8f3f3834fd76c4c0a53da [0,1,0,1,0,0|2,0,0]=4 7888 B13R1.1985 CC(O)CCN1CC[C@@H](C1)C(=O)O 40f68183107ef0093810808ae105a7a2 [0,1,0,1,0,0|1,0,0]=3 7889 B13R1.1985 CC(O)CCN1CC[C@H](C1)C(=O)N cc03594c49d2f393c232d5c94c508184 [0,1,0,1,0,0|2,0,0]=4 7890 B13R1.1985 CC(O)CCN1CC[C@H](C1)C(=O)O 91fb90af42869f7e5b021ac5c78415d2 [0,1,0,1,0,0|1,0,0]=3 7891 B13R1.1985 CC(O)CNC1CCC(C1)C(=O)N 437dccba39c67268be6686320bc42e9b [0,1,0,1,0,0|2,0,0]=4 7892 B13R1.1985 CC(O)CNC1CCC(C1)C(=O)O a41b83ad2cfb764bf10f11a5bb00cbd1 [0,1,0,1,0,0|1,0,0]=3 7893 B13R1.1985 CC(O)CN[C@@H]1CC[C@@H](C1)C(=O)N f852b5bcf6b3de783c8d463bbac28318 [0,1,0,1,0,0|2,0,0]=4 7894 B13R1.1985 CC(O)CN[C@@H]1CC[C@@H](C1)C(=O)O 2f2a032e4800834d144eb8fb4d06fc88 [0,1,0,1,0,0|1,0,0]=3 7895 B13R1.1985 CC(O)CN[C@@H]1CC[C@H](C1)C(=O)N b45f4e365c813c49c975d1f5bbecb3ed [0,1,0,1,0,0|2,0,0]=4 7896 B13R1.1985 CC(O)CN[C@@H]1CC[C@H](C1)C(=O)O 76c842fba8c90be20441927348fc2624 [0,1,0,1,0,0|1,0,0]=3 7897 B13R1.1985 CC(O)CN[C@H]1CC[C@@H](C1)C(=O)N af692933d49cd3436ced9402802bdf12 [0,1,0,1,0,0|2,0,0]=4 7898 B13R1.1985 CC(O)CN[C@H]1CC[C@@H](C1)C(=O)O c750c10aa914c7f4e2031f1e89573146 [0,1,0,1,0,0|1,0,0]=3 7899 B13R1.1985 CC(O)CN[C@H]1CC[C@H](C1)C(=O)N 631fef435bd2026ce831773f20d967a5 [0,1,0,1,0,0|2,0,0]=4 7900 B13R1.1985 CC(O)CN[C@H]1CC[C@H](C1)C(=O)O f32606187f8a6fc6006e778d34f9c0f9 [0,1,0,1,0,0|1,0,0]=3 7901 B13R1.1985 CC(S)COC1CCC(C1)C(=O)O 936691f0326640e0fc1753f2e63b2221 [0,1,0,1,0,0|1,0,0]=3 7902 B13R1.1985 CN(C)C1CCC(C1)NCC(=O)O 08390323f2255ab4c71525cafccdf9b4 [0,1,0,1,0,0|2,0,0]=4 7903 B13R1.1985 CN(C)C1CCN(C1)CCC(=O)O 827e9abe7889b16dc38fe8ba327b48e7 [0,1,0,1,0,0|2,0,0]=4 7904 B13R1.1985 CN(C)CCN1CCC(C1)C(=O)O 774f105fb8a2bb2212636e4d87377bac [0,1,0,1,0,0|2,0,0]=4 7905 B13R1.1985 CN(C)CCN1CC[C@@H](C1)C(=O)O d9dcf4b78724b6634e20d2d851113e0a [0,1,0,1,0,0|2,0,0]=4 7906 B13R1.1985 CN(C)CCN1CC[C@H](C1)C(=O)O 4b46a11094d5539ff9ed35795b18dfc8 [0,1,0,1,0,0|2,0,0]=4 7907 B13R1.1985 CN(C)CNC1CCC(C1)C(=O)O fa52907a49e3a980f38e8d7b43289897 [0,1,0,1,0,0|2,0,0]=4 7908 B13R1.1985 CN(C)CN[C@@H]1CC[C@@H](C1)C(=O)O c75eba3fdb08d976607f90aa8c54c11a [0,1,0,1,0,0|2,0,0]=4 7909 B13R1.1985 CN(C)CN[C@@H]1CC[C@H](C1)C(=O)O 13f4c25777b8b2cd56d4908c43cdae6e [0,1,0,1,0,0|2,0,0]=4 7910 B13R1.1985 CN(C)CN[C@H]1CC[C@@H](C1)C(=O)O 1366e079bdeec8ae8f7424ff29fea731 [0,1,0,1,0,0|2,0,0]=4 7911 B13R1.1985 CN(C)CN[C@H]1CC[C@H](C1)C(=O)O e2d680e650cfb19d06265e092a3d0c9b [0,1,0,1,0,0|2,0,0]=4 7912 B13R1.1985 CN(C)COC1CCC(C1)C(=O)O 0f6a37d2f1c0908c06bd8178485394c8 [0,1,0,1,0,0|2,0,0]=4 7913 B13R1.1985 CN(C)CO[C@@H]1CC[C@@H](C1)C(=O)O 2cbb929b549fc5bf2cc36b3af9f7e2a7 [0,1,0,1,0,0|2,0,0]=4 7914 B13R1.1985 CN(C)CO[C@@H]1CC[C@H](C1)C(=O)O 563149c16e012dcf5a8df38edc288e1a [0,1,0,1,0,0|2,0,0]=4 7915 B13R1.1985 CN(C)CO[C@H]1CC[C@@H](C1)C(=O)O 15e0546820c7b406b725251f0aa6c916 [0,1,0,1,0,0|2,0,0]=4 7916 B13R1.1985 CN(C)CO[C@H]1CC[C@H](C1)C(=O)O 8623f81446f6ed6bc21d8942a9ed69d8 [0,1,0,1,0,0|2,0,0]=4 7917 B13R1.1985 CN(C)[C@@H]1CCN(C1)CCC(=O)O a801417f331799682ea6a63594377a9b [0,1,0,1,0,0|2,0,0]=4 7918 B13R1.1985 CN(C)[C@H]1CCN(C1)CCC(=O)O 28393b9e77095cb63bbfd680a788740f [0,1,0,1,0,0|2,0,0]=4 7919 B13R1.1985 CS(=O)CCN1CCC(C1)C(=O)O f43ae036d90de499658d01f566e4c565 [0,1,0,1,0,0|2,0,0]=4 7920 B13R1.1985 CS(=O)CCN1CC[C@@H](C1)C(=O)O 64c609fc8b0f5ff63ff8650952403e4f [0,1,0,1,0,0|2,0,0]=4 7921 B13R1.1985 CS(=O)CCN1CC[C@H](C1)C(=O)O d8357871e0a0da4d0794765656cc7378 [0,1,0,1,0,0|2,0,0]=4 7922 B13R1.1985 C[C@@H](F)COC1CCC(C1)C(=O)O eac55948cf47b046c497eff1a86b3618 [0,1,0,1,0,0|1,0,0]=3 7923 B13R1.1985 C[C@@H](O)CNC1CCC(C1)C(=O)N 4665a22bcda34feeb59b12b96ef9b985 [0,1,0,1,0,0|2,0,0]=4 7924 B13R1.1985 C[C@@H](O)CNC1CCC(C1)C(=O)O 9d44cbf15de3f7d5f9d6688b84659709 [0,1,0,1,0,0|1,0,0]=3 7925 B13R1.1985 C[C@@H](O)CN[C@@H]1CC[C@@H](C1)C(=O)N 8bf7351012a3b4b8bafbdc01f005ce92 [0,1,0,1,0,0|2,0,0]=4 7926 B13R1.1985 C[C@@H](O)CN[C@@H]1CC[C@@H](C1)C(=O)O a8cbc6a28a23c055de294308c81c3293 [0,1,0,1,0,0|1,0,0]=3 7927 B13R1.1985 C[C@@H](O)CN[C@@H]1CC[C@H](C1)C(=O)N 2fd527b89f6dc6ad290b1c998e4f662b [0,1,0,1,0,0|2,0,0]=4 7928 B13R1.1985 C[C@@H](O)CN[C@@H]1CC[C@H](C1)C(=O)O 614ffe6aa24df54451c85d4dc4a8aadd [0,1,0,1,0,0|1,0,0]=3 7929 B13R1.1985 C[C@@H](O)CN[C@H]1CC[C@@H](C1)C(=O)N 91ea10a56eef4ff9b0e7892b45088dfb [0,1,0,1,0,0|2,0,0]=4 7930 B13R1.1985 C[C@@H](O)CN[C@H]1CC[C@@H](C1)C(=O)O 3d2ec766c8fff70253cbc9040742c039 [0,1,0,1,0,0|1,0,0]=3 7931 B13R1.1985 C[C@@H](O)CN[C@H]1CC[C@H](C1)C(=O)N 1dd716393866920009868deaa4b43264 [0,1,0,1,0,0|2,0,0]=4 7932 B13R1.1985 C[C@@H](O)CN[C@H]1CC[C@H](C1)C(=O)O 0abd5eafa878b58b4b2131cd6609db0f [0,1,0,1,0,0|1,0,0]=3 7933 B13R1.1985 C[C@H](F)COC1CCC(C1)C(=O)O 89d00c6fe62d8021c723ccdfa27b3028 [0,1,0,1,0,0|1,0,0]=3 7934 B13R1.1985 C[C@H](O)CNC1CCC(C1)C(=O)N a27f45ad9b85493e6efbbfe3585521bc [0,1,0,1,0,0|2,0,0]=4 7935 B13R1.1985 C[C@H](O)CNC1CCC(C1)C(=O)O 24b382de8ae3df980f36dba11fda9944 [0,1,0,1,0,0|1,0,0]=3 7936 B13R1.1985 C[C@H](O)CN[C@@H]1CC[C@@H](C1)C(=O)N fb89324f9134439bea436fd7b0adcce5 [0,1,0,1,0,0|2,0,0]=4 7937 B13R1.1985 C[C@H](O)CN[C@@H]1CC[C@@H](C1)C(=O)O a940e9e4934f4d1071ceeb976d5ea2a0 [0,1,0,1,0,0|1,0,0]=3 7938 B13R1.1985 C[C@H](O)CN[C@@H]1CC[C@H](C1)C(=O)N be1aa1db39139db4058ff9df47593efd [0,1,0,1,0,0|2,0,0]=4 7939 B13R1.1985 C[C@H](O)CN[C@@H]1CC[C@H](C1)C(=O)O c2d8d350acda0cd5df59cc795447ad20 [0,1,0,1,0,0|1,0,0]=3 7940 B13R1.1985 C[C@H](O)CN[C@H]1CC[C@@H](C1)C(=O)N f5f9db0c596223e5b4f725963113d066 [0,1,0,1,0,0|2,0,0]=4 7941 B13R1.1985 C[C@H](O)CN[C@H]1CC[C@@H](C1)C(=O)O cd2f7f334a22742300157ab9e84d64c0 [0,1,0,1,0,0|1,0,0]=3 7942 B13R1.1985 C[C@H](O)CN[C@H]1CC[C@H](C1)C(=O)N e019ddddfe267532a4e6e0cbd7030dbc [0,1,0,1,0,0|2,0,0]=4 7943 B13R1.1985 C[C@H](O)CN[C@H]1CC[C@H](C1)C(=O)O 2d5f478dbc10d3a4ddfaace247ba86be [0,1,0,1,0,0|1,0,0]=3 7944 B13R1.1985 O=C(O)C1CCC(C1)NCC(F)F b6da14f3c90a2744050cbdfd3aa3d446 [0,1,0,1,0,0|2,0,0]=4 7945 B13R1.1985 O=C(O)C1CCC(C1)OCC(F)F 93f609c3df642467ddd89e727666d4c1 [0,1,0,1,0,0|2,0,0]=4 7946 B13R1.1985 O=C(O)[C@@H]1CC[C@@H](C1)NCC(F)F 22e283bc3e94c33ab986f222ff774069 [0,1,0,1,0,0|2,0,0]=4 7947 B13R1.1985 O=C(O)[C@@H]1CC[C@@H](C1)OCC(F)F 31e468bb3aeb540460a9254cef6c6ca1 [0,1,0,1,0,0|2,0,0]=4 7948 B13R1.1985 O=C(O)[C@@H]1CC[C@H](C1)NCC(F)F 6376844ebf441746daea431ca3bfb504 [0,1,0,1,0,0|2,0,0]=4 7949 B13R1.1985 O=C(O)[C@@H]1CC[C@H](C1)OCC(F)F 73c9fb809ad5750b95bbcafeb30e85f9 [0,1,0,1,0,0|2,0,0]=4 7950 B13R1.1985 O=C(O)[C@H]1CC[C@@H](C1)NCC(F)F 914850114934d0ade9d16fba7880798f [0,1,0,1,0,0|2,0,0]=4 7951 B13R1.1985 O=C(O)[C@H]1CC[C@@H](C1)OCC(F)F 8bee8340dcb07e6ebbb189cd66de88bc [0,1,0,1,0,0|2,0,0]=4 7952 B13R1.1985 O=C(O)[C@H]1CC[C@H](C1)NCC(F)F 8bb616b840f3e31f23f14961cf2d6f19 [0,1,0,1,0,0|2,0,0]=4 7953 B13R1.1985 O=C(O)[C@H]1CC[C@H](C1)OCC(F)F 4a00137c03f98176b377d95d08a408e1 [0,1,0,1,0,0|2,0,0]=4 7954 B13R1.2988 CC(C)[C@H]1CN(C[C@@H]1C(=O)O)CF f39d58d750de80df6598fdeac1b6a217 [0,1,0,1,0,0|2,0,0]=4 7955 B13R1.2988 CC(C)[C@H]1CN(C[C@@H]1C(=O)O)CO c1c35462cc08b2a910bc6dcf8485a900 [0,1,0,1,0,0|2,0,0]=4 7956 B13R1.2988 CCN1C[C@@H]([C@H](C1)C(C)C)C(=O)O 9e2f9038c2e7d912d9e9f3557e32c320 [0,1,0,1,0,0|1,0,0]=3 7957 B13R1.2988 CCN1C[C@H]([C@@H](C1)C(F)F)C(=O)O 470bf6240faac5f91356fc16a086714c [0,1,0,1,0,0|2,0,0]=4 7958 B13R1.7643 CC(=O)CCN1CCC(C1C)(C)C 7a2eb0083703440c7f921c77094ce6c6 [0,1,0,1,0,0|2,0,0]=4 7959 B13R1.7643 CC1N(CCC1(C)C)CCC(=O)N 456f261091fda6240aa9e689eaed98a9 [0,1,0,1,0,0|2,0,0]=4 7960 B13R1.7679 C=C(C)CCN1CC(C1C)C(=O)O 784be6f356d9fcb802b9d5e850653d63 [0,1,0,1,0,0|1,0,1]=4 7961 B13R1.7679 C=C(C)CCN1C[C@H]([C@@H]1C)C(=O)O 37d0c0179765decd520e33cac0af5bcc [0,1,0,1,0,0|1,0,1]=4 7962 B13R1.7679 CC(=O)CCN1CC(C1C)C(=O)O 275b8bebbf37050c3e9ee47068e707b8 [0,1,0,1,0,0|1,0,1]=4 7963 B13R1.7679 CC(=O)CCN1C[C@H]([C@@H]1C)C(=O)O 69ed43573b59deeca87d2d9ff0b51587 [0,1,0,1,0,0|1,0,1]=4 7964 B13R1.7679 CC(C)CCN1CC(C1C)C(=O)O a05bb1245ce81d6b5341ab44f0a3cc33 [0,1,0,1,0,0|1,0,0]=3 7965 B13R1.7679 CC(C)CCN1C[C@H]([C@@H]1C)C(=O)O 68ce77c9d6cf93ac1fd4c1d0d340ea47 [0,1,0,1,0,0|1,0,0]=3 7966 B13R1.7679 CC(C)OCN1CC(C1C)C(=O)O dad1a6041296a6df6dfea6e145790972 [0,1,0,1,0,0|2,0,0]=4 7967 B13R1.7679 CC(C)OCN1C[C@H]([C@@H]1C)C(=O)O 34d0e6eb54a853432749710101898566 [0,1,0,1,0,0|2,0,0]=4 7968 B13R1.7679 CC(O)CCN1CC(C1C)C(=O)O 7044807e5eb77743db632dc4c322593f [0,1,0,1,0,0|1,0,0]=3 7969 B13R1.7679 CC(O)CCN1C[C@H]([C@@H]1C)C(=O)O feeefa0dbcb6d16ce782a885a58f943d [0,1,0,1,0,0|1,0,0]=3 7970 B13R1.7679 CC1C(CN1CCN(C)C)C(=O)O d99f6facac04e309d9b7739a0d6c1dde [0,1,0,1,0,0|2,0,0]=4 7971 B13R1.7679 CC1C(CN1CCS(=O)C)C(=O)O caaa2be14f6f893055b2de356bfbd1d6 [0,1,0,1,0,0|2,0,0]=4 7972 B13R1.7679 C[C@H]1[C@@H](CN1CCN(C)C)C(=O)O 51a8f77fdb6b50193a1c061287df64a9 [0,1,0,1,0,0|2,0,0]=4 7973 B13R1.7679 C[C@H]1[C@@H](CN1CCS(=O)C)C(=O)O 5bc4a0a81d777a776ca6af3abee5e7aa [0,1,0,1,0,0|2,0,0]=4 7974 B13R1.8680 CC(C)CCC1(CC1)NCC(=O)N da46ca230681324b2da5443ae5543413 [0,1,0,1,0,0|2,0,0]=4 7975 B13R1.8680 CC(C)CCC1(CC1)NCC(=O)O 94ede32e8df588d4f7bc9b7c3a0afd09 [0,1,0,1,0,0|1,0,0]=3 7976 B13R1.157 CC1CCCCC1NCS(=O)(=O)O 0aa6625f80cb0bc1470a0349d68f7f23 [0,1,0,1,0,0|2,0,0]=4 7977 B13R1.157 CC1CCCCC1OCS(=O)(=O)O eae67efbe60e6c4379af1f42bbb87b40 [0,1,0,1,0,0|2,0,0]=4 7978 B13R1.157 CC1CCCCN1CCS(=O)(=O)O 3adfaf06102069ff0dd63d0de02f4615 [0,1,0,1,0,0|2,0,0]=4 7979 B13R1.157 C[C@@H]1CCCCN1CCS(=O)(=O)O ec9d29dbc2eaf904b62cb0c21af397cc [0,1,0,1,0,0|2,0,0]=4 7980 B13R1.157 C[C@@H]1CCCC[C@@H]1NCS(=O)(=O)O c27248672feda9f4e2b25f584a7ad88f [0,1,0,1,0,0|2,0,0]=4 7981 B13R1.157 C[C@@H]1CCCC[C@@H]1OCS(=O)(=O)O 23ea73a8e73d995597501a56a9b57afd [0,1,0,1,0,0|2,0,0]=4 7982 B13R1.157 C[C@@H]1CCCC[C@H]1NCS(=O)(=O)O 01e06021a58d18482af5eddc2098aaf5 [0,1,0,1,0,0|2,0,0]=4 7983 B13R1.157 C[C@H]1CCCCN1CCS(=O)(=O)O fc11122eb2d2fac29b7fcc11edbfd792 [0,1,0,1,0,0|2,0,0]=4 7984 B13R1.157 C[C@H]1CCCC[C@@H]1NCS(=O)(=O)O 8b3e501eecb0a8b3cdd7e99eccbd39ef [0,1,0,1,0,0|2,0,0]=4 7985 B13R1.157 C[C@H]1CCCC[C@@H]1OCS(=O)(=O)O 6ce928a41615828e75464975cc28d54a [0,1,0,1,0,0|2,0,0]=4 7986 B13R1.157 C[C@H]1CCCC[C@H]1NCS(=O)(=O)O 9b8202837f576bfb902c015c3f93b467 [0,1,0,1,0,0|2,0,0]=4 7987 B13R1.157 C[C@H]1CCCC[C@H]1OCS(=O)(=O)O 392b2cc3f1444914555ea7855d244519 [0,1,0,1,0,0|2,0,0]=4 7988 B13R1.512 CC1CCC(CC1)NCS(=O)(=O)O 0aadd8938cc5c5d2d127b20bf91c56fd [0,1,0,1,0,0|2,0,0]=4 7989 B13R1.512 CC1CCC(CC1)OCS(=O)(=O)O dff86b467ba926132d8a1058aea44374 [0,1,0,1,0,0|2,0,0]=4 7990 B13R1.512 CC1CCN(CC1)CCS(=O)(=O)O 6236556718d853ce647a2c4f00747649 [0,1,0,1,0,0|2,0,0]=4 7991 B13R1.512 C[C@H]1CC[C@@H](CC1)NCS(=O)(=O)O e0e8ace698b5448ceb18dc0d452b4031 [0,1,0,1,0,0|2,0,0]=4 7992 B13R1.512 C[C@H]1CC[C@@H](CC1)OCS(=O)(=O)O 7ec46ac46a09e917848700d37bec4c3e [0,1,0,1,0,0|2,0,0]=4 7993 B13R1.512 C[C@H]1CC[C@H](CC1)NCS(=O)(=O)O b23fa0861ce0500c852070b08faff5f7 [0,1,0,1,0,0|2,0,0]=4 7994 B13R1.512 C[C@H]1CC[C@H](CC1)OCS(=O)(=O)O 378e69e5e8c21ff0776d7e0069b10cab [0,1,0,1,0,0|2,0,0]=4 7995 B13R1.622 CCC1CCCCN1CS(=O)(=O)O ddaa8f6b6dbd4338d81852fa9ab8ced9 [0,1,0,1,0,0|2,0,0]=4 7996 B13R1.622 CC[C@@H]1CCCCN1CS(=O)(=O)O 4dfa1caf51c55aec43e6979f92fde1e8 [0,1,0,1,0,0|2,0,0]=4 7997 B13R1.622 CC[C@H]1CCCCN1CS(=O)(=O)O 72efbc45b7b41d9c0a7444661e8a614b [0,1,0,1,0,0|2,0,0]=4 7998 B13R1.2955 CCC1CCN(C1)CCS(=O)(=O)O 23d7d4f78525580fa24b6b0b55828781 [0,1,0,1,0,0|2,0,0]=4 7999 B13R1.4405 CCN(CCS(=O)(=O)O)C1CCC1 20f7c2bd6b83c2a3cf55202b9b965d12 [0,1,0,1,0,0|2,0,0]=4 8000 B13R1.4406 CCN(CCS(=O)(=O)O)CC1CC1 90e57a3e322acf435d942611cff8cef1 [0,1,0,1,0,0|2,0,0]=4 8001 B13R1.6268 O=S(=O)(O)CCN1CCCCCC1 e9368f4080122dcaef4e89425b2bf5c4 [0,1,0,1,0,0|2,0,0]=4 8002 B13R1.6268 O=S(=O)(O)CNC1CCCCCC1 8574823291272838320b30587bf019e3 [0,1,0,1,0,0|2,0,0]=4 8003 B13R1.6268 O=S(=O)(O)COC1CCCCCC1 6145be48f54cac4c4d37e0bf035f6f67 [0,1,0,1,0,0|2,0,0]=4 8004 B13R2.147 CC1CCN(CC1)C2CC(=O)C2 26a478e528e031ffa3384a174903b1f6 [0,0,0,2,0,0|2,0,0]=4 8005 B13R2.1287 NC(=O)CN1CC2CCC1CC2 7d7864c4e98ef5ac02b910edaef3e5a0 [0,0,0,2,0,0|2,0,0]=4 8006 B13R2.1287 NC(=O)CN1C[C@H]2CC[C@@H]1CC2 a17be982a75b506fcc65c9d75980f873 [0,0,0,2,0,0|2,0,0]=4 8007 B13R2.1287 O=C(O)CN1CC2CCC1CC2 17a5a92f7c74d35333303c905992bdcd [0,0,0,2,0,0|1,0,0]=3 8008 B13R2.1287 O=C(O)CN1C[C@H]2CC[C@@H]1CC2 b4d56d9bff387a9ba2b1864762ae9581 [0,0,0,2,0,0|1,0,0]=3 8009 B13R2.4759 CN1C[C@@H]2[C@H](C1)[C@H]2NCC(=O)O 02f9c527721132ed7b0a0bbbd3727bad [0,0,0,2,0,0|2,0,0]=4 8010 B13R2.5542 CC(=O)CCN1CCC2CC2C1 4464804ed2898844bb00f535902ee0b1 [0,0,0,2,0,0|2,0,0]=4 8011 B13R2.5542 NC(=O)CCN1CCC2CC2C1 73f8f8452388fd3e0f770ac662d99fc0 [0,0,0,2,0,0|2,0,0]=4 8012 B13R2.5542 NC(=O)CNC1CCC2CC2C1 2597b14f5dc3da1f282e6136c6c76e6a [0,0,0,2,0,0|2,0,0]=4 8013 B13R2.5542 NC(=O)CN[C@@H]1CCC2CC2C1 0cadcbdfc3501bf0e8b5f94c374e9e49 [0,0,0,2,0,0|2,0,0]=4 8014 B13R2.5542 NC(=O)CN[C@H]1CCC2CC2C1 62bf119b685d568c7cf65aa7c8b787aa [0,0,0,2,0,0|2,0,0]=4 8015 B13R2.5542 O=C(O)CCN1CCC2CC2C1 32a406ebb59da00f902a2eb697fdd904 [0,0,0,2,0,0|1,0,0]=3 8016 B13R2.5542 O=C(O)CNC1CCC2CC2C1 cc47073ef1eed39a24891357eaef4e94 [0,0,0,2,0,0|1,0,0]=3 8017 B13R2.5542 O=C(O)CN[C@@H]1CCC2CC2C1 e03add90c56660ec67f4ae4d2782ae5b [0,0,0,2,0,0|1,0,0]=3 8018 B13R2.5542 O=C(O)CN[C@H]1CCC2CC2C1 cd617ea4c8425cd339baf8525b487c10 [0,0,0,2,0,0|1,0,0]=3 8019 B13R2.75 CCC1CCN(C1)C2CC(=O)C2 2d7f95ab9ddc46d2f94eb1c08c4532cf [0,0,0,2,0,0|2,0,0]=4 8020 B13R2.1282 NC(=O)CN1CCC2CCC1C2 983c6591c467070db992ae4eb0ae44c4 [0,0,0,2,0,0|2,0,0]=4 8021 B13R2.1282 NC(=O)CN1CC[C@@H]2CC[C@H]1C2 64415178ee3e12738dc07a44e53763a9 [0,0,0,2,0,0|2,0,0]=4 8022 B13R2.1282 O=C(O)CN1CCC2CCC1C2 378764d48e0e9fdf7193f8fc16e11ce1 [0,0,0,2,0,0|1,0,0]=3 8023 B13R2.1282 O=C(O)CN1CCN2CCC1C2 cc52f69320b6528aa1788853c830596e [0,0,0,2,0,0|2,0,0]=4 8024 B13R2.1282 O=C(O)CN1CCN2CC[C@@H]1C2 4634e8630585bbf703b3f5d6f3ce4268 [0,0,0,2,0,0|2,0,0]=4 8025 B13R2.1282 O=C(O)CN1CC[C@@H]2CC[C@H]1C2 64fb452a67b066aed385ef72ed1af7f1 [0,0,0,2,0,0|1,0,0]=3 8026 B13R2.1531 CCN1CC2C(C2C1)CC(=O)O 7ed7fb15299b26a8e92b2b9b57e3e180 [0,0,0,2,0,0|1,0,0]=3 8027 B13R2.1531 O=C(O)CC1C2C1CN(C2)CF 7192217e6fcc38e01bde399321456ffd [0,0,0,2,0,0|2,0,0]=4 8028 B13R2.1531 O=C(O)CC1C2C1CN(C2)CO 95060a2811454f58bc890e79a2b28a93 [0,0,0,2,0,0|2,0,0]=4 8029 B13R2.5548 CC(=O)CCN1CC2CCC2C1 9e042c93be73cbca9c73c21f58560ff6 [0,0,0,2,0,0|2,0,0]=4 8030 B13R2.5548 NC(=O)CCN1CC2CCC2C1 1128b656bebe7601e912420e3fb9a6d9 [0,0,0,2,0,0|2,0,0]=4 8031 B13R2.5548 O=C(O)CCN1CC2CCC2C1 48320b821a9e1fb8a3217a68ed60f768 [0,0,0,2,0,0|1,0,0]=3 8032 B13R2.5551 CC(=O)CCN1CC2CCC1C2 6db137ecd813263bceb3dc65ed6babb9 [0,0,0,2,0,0|2,0,0]=4 8033 B13R2.5551 CC(=O)CCN1C[C@@H]2CC[C@H]1C2 3d9ba79e1a0942030f6612ebe154a3f6 [0,0,0,2,0,0|2,0,0]=4 8034 B13R2.5551 CC(=O)CCN1C[C@H]2CC[C@@H]1C2 cd044fe4672942b592e4be588405f84b [0,0,0,2,0,0|2,0,0]=4 8035 B13R2.5551 CC(=O)CNC1CC2CCC1C2 8875cff8653962ee30be21ca4f4bdf8b [0,0,0,2,0,0|2,0,0]=4 8036 B13R2.5551 CC(=O)CNC1C[C@H]2CC[C@@H]1C2 5b9763116da65042d684e22dd91752d7 [0,0,0,2,0,0|2,0,0]=4 8037 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 8038 B13R2.5551 CC(=O)COC1CC2CCC1C2 c855c3f086b134a45d619c52f1ce28bd [0,0,0,2,0,0|2,0,0]=4 8039 B13R2.5551 CC(=O)COC1C[C@H]2CC[C@@H]1C2 1ecde28c54fcd83bf2f91b86dfb8b280 [0,0,0,2,0,0|2,0,0]=4 8040 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 8041 B13R2.5551 NC(=O)CCN1CC2CCC1C2 8b0c22d96de499aa31ee8d0e4176699d [0,0,0,2,0,0|2,0,0]=4 8042 B13R2.5551 NC(=O)CCN1C[C@@H]2CC[C@H]1C2 da14c83028fed2b09578fbe485e95c43 [0,0,0,2,0,0|2,0,0]=4 8043 B13R2.5551 NC(=O)CCN1C[C@H]2CC[C@@H]1C2 3046e542138453d7a9484c8c380550cc [0,0,0,2,0,0|2,0,0]=4 8044 B13R2.5551 NC(=O)CNC1CC2CCC1C2 058aea342723ec0a9fb88564ac74a4f3 [0,0,0,2,0,0|2,0,0]=4 8045 B13R2.5551 NC(=O)CNC1C[C@@H]2CC[C@H]1C2 5a100520c3141aca707c18ce4ec16200 [0,0,0,2,0,0|2,0,0]=4 8046 B13R2.5551 NC(=O)CNC1C[C@H]2CC[C@@H]1C2 5397060a6f36561859e4863d54f2f48d [0,0,0,2,0,0|2,0,0]=4 8047 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 8048 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 8049 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 8050 B13R2.5551 NC(=O)COC1CC2CCC1C2 144d1c21d9219e3fc87da29df09172c0 [0,0,0,2,0,0|2,0,0]=4 8051 B13R2.5551 NC(=O)COC1C[C@@H]2CC[C@H]1C2 45c8f6cbb8c32bdd934ad410c6f34235 [0,0,0,2,0,0|2,0,0]=4 8052 B13R2.5551 NC(=O)COC1C[C@H]2CC[C@@H]1C2 e520d0a1ee52b24ba2940ff690582d2c [0,0,0,2,0,0|2,0,0]=4 8053 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 8054 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 8055 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 8056 B13R2.5551 O=C(O)CCN1CC2CC1CO2 b93ad4625307a2f4e22c9b5064934756 [0,0,0,2,0,0|2,0,0]=4 8057 B13R2.5551 O=C(O)CCN1CC2CCC1C2 11e2adcefc2efe8bf73941887bbdd497 [0,0,0,2,0,0|1,0,0]=3 8058 B13R2.5551 O=C(O)CCN1C[C@@H]2CC[C@H]1C2 a508c1519d86fa5bce03c4c406228036 [0,0,0,2,0,0|1,0,0]=3 8059 B13R2.5551 O=C(O)CCN1C[C@@H]2C[C@H]1CO2 347b7c22e5eea586d6764d8dc1eef4dd [0,0,0,2,0,0|2,0,0]=4 8060 B13R2.5551 O=C(O)CCN1C[C@H]2CC[C@@H]1C2 739c2157e56c47c16024787351e2a72d [0,0,0,2,0,0|1,0,0]=3 8061 B13R2.5551 O=C(O)CCN1C[C@H]2C[C@@H]1CO2 775ea9f5949de79ed1e783c0406c2dce [0,0,0,2,0,0|2,0,0]=4 8062 B13R2.5551 O=C(O)CNC1CC2CCC1C2 e2c9137973dd7ac9720f2a6554b72cb7 [0,0,0,2,0,0|1,0,0]=3 8063 B13R2.5551 O=C(O)CNC1C[C@@H]2CC[C@H]1C2 c6e20f8a45d96ab5522193ef0b9ccded [0,0,0,2,0,0|1,0,0]=3 8064 B13R2.5551 O=C(O)CNC1C[C@H]2CC[C@@H]1C2 53367274a017ced21bcb798acafe185a [0,0,0,2,0,0|1,0,0]=3 8065 B13R2.5551 O=C(O)CN[C@@H]1CN2CC[C@H]1C2 a8693f6f262423b09f8136b4db875bb9 [0,0,0,2,0,0|2,0,0]=4 8066 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 8067 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 8068 B13R2.5551 O=C(O)CN[C@H]1CN2CC[C@H]1C2 a6a995c566460709bce32a7710fb68da [0,0,0,2,0,0|2,0,0]=4 8069 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 8070 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 8071 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 8072 B13R2.5551 O=C(O)COC1CC2CCC1C2 7e965afd1d6294482e4fbd30e5214966 [0,0,0,2,0,0|1,0,0]=3 8073 B13R2.5551 O=C(O)COC1CN2CCC1C2 3dbd3bdf464225a4f6ac8305b6eafac1 [0,0,0,2,0,0|2,0,0]=4 8074 B13R2.5551 O=C(O)COC1C[C@@H]2CC[C@H]1C2 b702a03877997d6b0a221669d90aa243 [0,0,0,2,0,0|1,0,0]=3 8075 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 8076 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 8077 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 8078 B13R2.5551 O=S(O)COC1CC2CCC1C2 4752244a247d3366aed9023280d4bda9 [0,0,0,2,0,0|2,0,0]=4 8079 B13R2.5551 O=S(O)COC1C[C@H]2CC[C@@H]1C2 532dc4f96b28643388521fd912993af4 [0,0,0,2,0,0|2,0,0]=4 8080 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 8081 B13R2.6498 CCN1CCC2(C1)CC2C(=O)O 2b270ee866f6f4a5537127c7f64a7ad4 [0,0,0,2,0,0|1,0,0]=3 8082 B13R2.6498 O=C(O)C1CC12CCN(C2)CF b93aa1262105c6d9c2b21beed092e829 [0,0,0,2,0,0|2,0,0]=4 8083 B13R2.6498 O=C(O)C1CC12CCN(C2)CO 27e4e9c9c2515583f4b6c80cf7e15084 [0,0,0,2,0,0|2,0,0]=4 8084 B13R2.13902 CC(=O)CCN1CCC2(C1)CC2 a81682326684a15d2e53661ab62ca8d2 [0,0,0,2,0,0|2,0,0]=4 8085 B13R2.13902 NC(=O)CCN1CCC2(C1)CC2 27cfa92e39276bf71db010250d30ddb8 [0,0,0,2,0,0|2,0,0]=4 8086 B13R2.13902 NC(=O)COC1CCC2(C1)CC2 420ef618586816ba9b6ac1473749f662 [0,0,0,2,0,0|2,0,0]=4 8087 B13R2.13902 O=C(O)CCN1CCC2(C1)CC2 a40388b066c2124990e39c1b9f722bf9 [0,0,0,2,0,0|1,0,0]=3 8088 B13R2.13902 O=C(O)CNC1COC2(C1)CC2 523ee6607be59f0d2df8f18689f46b13 [0,0,0,2,0,0|2,0,0]=4 8089 B13R2.13902 O=C(O)COC1CCC2(C1)CC2 0337f93d5d73582ebafa13b1ad024fc5 [0,0,0,2,0,0|1,0,0]=3 8090 B13R2.515 CCCNC1CC2CC1OC2=O f84f20a647c246ec19e0c68e218cb9b1 [0,0,0,2,0,0|1,0,0]=3 8091 B13R2.515 COCOC1CC2CC1OC2=O 02a039c5db4fccd81561f8d6894f291c [0,0,0,2,0,0|2,0,0]=4 8092 B13R2.515 O=C1OC2CC1CC2NCCBr 095f2fdbd587bc4fd5b2edac361682d3 [0,0,0,2,0,0|2,0,0]=4 8093 B13R2.515 O=C1OC2CC1CC2NCCF 3493c2c114241471ce5991f3aafc90a8 [0,0,0,2,0,0|2,0,0]=4 8094 B13R2.515 O=C1OC2CC1CC2NCCI b1b5e4823f3f304e752fd56c2cd16777 [0,0,0,2,0,0|2,0,0]=4 8095 B13R2.515 O=C1OC2CC1CC2NCCO e29ac7665801f773d041e74f948fdaa8 [0,0,0,2,0,0|2,0,0]=4 8096 B13R2.515 O=C1OC2CC1CC2NCCS e840e1bd5f9c4b14901f8e8ca94e5853 [0,0,0,2,0,0|2,0,0]=4 8097 B13R2.515 O=C1OC2CC1CC2OCCS 9cb7bf6e6f1b052c25cfcda7b4de9f8b [0,0,0,2,0,0|2,0,0]=4 8098 B13R2.605 CCN1C[C@@H]2CC[C@H](C1)C(=O)N2 92a139c72032287ab82bed448f0b8774 [0,0,0,2,0,0|2,0,0]=4 8099 B13R2.5400 CC1CC(=O)CCC1OC2CC2 f9f6ad9413d8d9df065872e9341b3436 [0,0,0,2,0,0|2,0,0]=4 8100 B13R2.5400 CC1NC(=O)CCC1OC2CC2 734bb739d86b02628635219ea0628f6a [0,0,0,2,0,0|2,0,0]=4 8101 B13R2.72 CC(=O)N1CCC2C1CCCC2 01bf4847c0b28b979e6cf1ba17cae5b8 [0,0,0,2,0,0|2,0,0]=4 8102 B13R2.545 CC(=O)NC1CCCCC12CC2 8c1d7888529cd422ba8a563043363ddb [0,0,0,2,0,0|2,0,0]=4 8103 B13R2.545 O=C(O)CN1CCOCC12CC2 4cc01e449742e7fbdd2b5e8f2f05664d [0,0,0,2,0,0|2,0,0]=4 8104 B13R2.689 NC(=O)CN1C2CCCC1CC2 0d8b07b8d3f60cc6188eebbacd67f6ef [0,0,0,2,0,0|2,0,0]=4 8105 B13R2.689 NC(=O)CN1[C@@H]2CCC[C@H]1CC2 f317c87290b81d8a538eade668f67713 [0,0,0,2,0,0|2,0,0]=4 8106 B13R2.689 O=C(O)CN1C2CCC1COC2 741bef16542880a35fbbdea791c9c29d [0,0,0,2,0,0|2,0,0]=4 8107 B13R2.689 O=C(O)CN1C2CCCC1CC2 b1ba75df6af179fd7ee22bf4b7def9b6 [0,0,0,2,0,0|1,0,0]=3 8108 B13R2.689 O=C(O)CN1[C@@H]2CCC[C@H]1CC2 47f239b27bf2c22a5cab098d58ada97e [0,0,0,2,0,0|1,0,0]=3 8109 B13R2.689 O=C(O)CN1[C@@H]2CC[C@H]1COC2 2dcd9aa44b318a2832863c28bcf64aa9 [0,0,0,2,0,0|2,0,0]=4 8110 B13R2.2377 CCN1C2CCCC1CC(=O)C2 bfc4890e9333287f5b93c12e65fb24e5 [0,0,0,2,0,0|2,0,0]=4 8111 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 8112 B13R2.435 CC(=O)N1CC2CCCCC2C1 f9d128040330a91801a5ba591240d247 [0,0,0,2,0,0|2,0,0]=4 8113 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 b8aa109084be6bf8351f17c694c599b4 [0,0,0,2,0,0|2,0,0]=4 8114 B13R2.1263 O=C(O)CCN1C2COCC1C2 f9265f94550f19ad6551737b8dfd1f31 [0,0,0,2,0,0|2,0,0]=4 8115 B13R2.5881 NC(=O)CN1CC2C1CCCC2 673dfe3334b060c18375100a7171fdc0 [0,0,0,2,0,0|2,0,0]=4 8116 B13R2.5881 NC(=O)CN1C[C@@H]2[C@H]1CCCC2 aa8a6c73148bb042b8a05aa1f0b6f301 [0,0,0,2,0,0|2,0,0]=4 8117 B13R2.5881 O=C(O)CN1CC2C1CCCC2 8a9684f1232ee7c4bb6d755d73419a9c [0,0,0,2,0,0|1,0,0]=3 8118 B13R2.5881 O=C(O)CN1C[C@@H]2[C@H]1CCCC2 973b84b9b8b0ee46e1d4c1e6051ee07c [0,0,0,2,0,0|1,0,0]=3 8119 B13R2.13856 O=C(O)CCN1CCOC2C1C2 05dd3e3ec7c4ab69c673dc1625f0521a [0,0,0,2,0,0|2,0,0]=4 8120 B13R2.5532 CC(=O)CCN1CC2C1CCC2 5034d58f38cee6291bd73e679b9ff0f7 [0,0,0,2,0,0|2,0,0]=4 8121 B13R2.5532 CC(=O)CCN1C[C@H]2[C@@H]1CCC2 1668d15467023bfafb09288ec81756b7 [0,0,0,2,0,0|2,0,0]=4 8122 B13R2.5532 NC(=O)CCN1CC2C1CCC2 8cb1733d706233520aee7ba47db08fa0 [0,0,0,2,0,0|2,0,0]=4 8123 B13R2.5532 NC(=O)CCN1C[C@H]2[C@@H]1CCC2 2aae8bfa55c4e2ab9754e5a594cafd37 [0,0,0,2,0,0|2,0,0]=4 8124 B13R2.5532 O=C(O)CCN1CC2C1CCC2 a7db3bc45ef253b577ac9c8f0d5c0d0b [0,0,0,2,0,0|1,0,0]=3 8125 B13R2.5532 O=C(O)CCN1C[C@H]2[C@@H]1CCC2 1e457046b062938e9a94f9dd97709074 [0,0,0,2,0,0|1,0,0]=3 8126 B13R2.5549 NC(=O)COC1CCC1C2CC2 b5e3102887ba30e2b7012505e4f6441a [0,0,0,2,0,0|2,0,0]=4 8127 B13R2.5549 O=C(O)COC1CCC1C2CC2 161c4b7d2a5aec0bc33b4b327ff79f8d [0,0,0,2,0,0|1,0,0]=3 8128 B13R2.5852 NC(=O)COC1CCC12CCC2 1cd4f83368f4f07029890bb405d89436 [0,0,0,2,0,0|2,0,0]=4 8129 B13R2.5852 O=C(O)CCN1CCC12COC2 8176bcb81d3eff8ab6b956e18d66c030 [0,0,0,2,0,0|2,0,0]=4 8130 B13R2.5852 O=C(O)COC1CCC12CCC2 64e839e1d343480f46553157d39d3474 [0,0,0,2,0,0|1,0,0]=3 8131 B13R2.5852 O=C(O)COC1CCC12COC2 f902437603f4d073fef7f56cdd08a6c2 [0,0,0,2,0,0|2,0,0]=4 8132 B13R2.5852 O=C(O)COC1COC12CCC2 a54202bf3510422d2e200c0fb3ebce61 [0,0,0,2,0,0|2,0,0]=4 8133 B13R2.611 CCN1CCC(=O)[C@H]2[C@@H]1CCC2 add322ff8a8cdccb5e5bd37f11adecda [0,0,0,2,0,0|2,0,0]=4 8134 B13R2.426 CC(=O)NC1CCC12CCCC2 70476001bb2892b867be2875f341de7b [0,0,0,2,0,0|2,0,0]=4 8135 B13R2.426 NC(=O)CN1CCC12CCCC2 f24ebde71c4f142b130981b9f7cf35ee [0,0,0,2,0,0|2,0,0]=4 8136 B13R2.426 O=C(O)CN1CCC12CCCC2 15466ac60ada346a24c61aeed36f45b8 [0,0,0,2,0,0|1,0,0]=3 8137 B13R2.426 O=C(O)CN1CCC12CCOC2 272345b1ddca0ed4ea27f78de32e303a [0,0,0,2,0,0|2,0,0]=4 8138 B13R2.684 O=C(O)CC1CCN1CC2CC2 e9569646d3a785c8c9a1f8e9dc31c0c6 [0,0,0,2,0,0|1,0,0]=3 8139 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 8140 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 8141 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 8142 B13R2.5521 NC(=O)CN1C2CCCCC1C2 1bd8c7b2d1ce19bef41d4af55cae8526 [0,0,0,2,0,0|2,0,0]=4 8143 B13R2.5521 O=C(O)CN1C2CCCCC1C2 8d7a949fb492aa14feb2fa77da3e310a [0,0,0,2,0,0|1,0,0]=3 8144 B13R2.5554 CC(=O)C1CCN(C1)CC2CC2 8dcdb0745b68eaa70497104074972050 [0,0,0,2,0,0|2,0,0]=4 8145 B13R2.5554 NC(=O)C1CCN(C1)CC2CC2 770e7ef63c6a86bb616ed16071a1dfe4 [0,0,0,2,0,0|2,0,0]=4 8146 B13R2.5554 NC(=O)[C@@H]1CCN(C1)CC2CC2 4783a6f3ed532b09c837abcf6b77994f [0,0,0,2,0,0|2,0,0]=4 8147 B13R2.5554 NC(=O)[C@H]1CCN(C1)CC2CC2 4626d8c5a058d803536a1e11ce7e96dc [0,0,0,2,0,0|2,0,0]=4 8148 B13R2.5554 O=C(O)C1CCC(C1)NC2CC2 33598838b273cd02e57da8bbd3df32aa [0,0,0,2,0,0|1,0,0]=3 8149 B13R2.5554 O=C(O)C1CCC(C1)OC2CC2 92afb5215ac1f076a0a4327f6f20644d [0,0,0,2,0,0|1,0,0]=3 8150 B13R2.5554 O=C(O)C1CCN(C1)CC2CC2 4005dfc6e3da1d81f561bf4b11a0300a [0,0,0,2,0,0|1,0,0]=3 8151 B13R2.5554 O=C(O)[C@@H]1CCN(C1)CC2CC2 c752fbd2438dfad17aaeeefb88c09280 [0,0,0,2,0,0|1,0,0]=3 8152 B13R2.5554 O=C(O)[C@@H]1CC[C@@H](C1)NC2CC2 f70add123402c6904e11879f21da4f0f [0,0,0,2,0,0|1,0,0]=3 8153 B13R2.5554 O=C(O)[C@@H]1CC[C@H](C1)NC2CC2 982ea56a021d66cc94c9de7fd3d648bf [0,0,0,2,0,0|1,0,0]=3 8154 B13R2.5554 O=C(O)[C@H]1CCN(C1)CC2CC2 57cf7da6734785351fe7245605d7a0b2 [0,0,0,2,0,0|1,0,0]=3 8155 B13R2.5554 O=C(O)[C@H]1CC[C@@H](C1)NC2CC2 224648a05aa8a583a33c63332fb48e50 [0,0,0,2,0,0|1,0,0]=3 8156 B13R2.5554 O=C(O)[C@H]1CC[C@H](C1)NC2CC2 2d2c989fc4b73635102c12f2ad0bae35 [0,0,0,2,0,0|1,0,0]=3 8157 B13R2.5555 CC(=O)C1CCN(C1)C2CCC2 bf23f903790be48dd4201a3718979221 [0,0,0,2,0,0|2,0,0]=4 8158 B13R2.5555 NC(=O)C1CCN(C1)C2CCC2 66ae96d510e190e34f9902c005aae213 [0,0,0,2,0,0|2,0,0]=4 8159 B13R2.5555 NC(=O)[C@@H]1CCN(C1)C2CCC2 d494021e73b002b163df1cfa408a6cc3 [0,0,0,2,0,0|2,0,0]=4 8160 B13R2.5555 NC(=O)[C@H]1CCN(C1)C2CCC2 0001f026c50ddb0b82fb116d23fac9fa [0,0,0,2,0,0|2,0,0]=4 8161 B13R2.5555 O=C(O)C1CCC(C1)N2CCC2 1300c1ad95daf89d4c45242b2f9f1a9f [0,0,0,2,0,0|1,0,0]=3 8162 B13R2.5555 O=C(O)C1CCN(C1)C2CCC2 b18cd4c12b42379cb41a89494f2703a2 [0,0,0,2,0,0|1,0,0]=3 8163 B13R2.5555 O=C(O)C1CCN(C1)C2COC2 5e59ac5d3755ea5038e142cf7578e075 [0,0,0,2,0,0|2,0,0]=4 8164 B13R2.5555 O=C(O)[C@@H]1CCN(C1)C2CCC2 2843c3dc8a14eaf6471ec62a4c71d19f [0,0,0,2,0,0|1,0,0]=3 8165 B13R2.5555 O=C(O)[C@@H]1CCN(C1)C2COC2 a5c3294e4a62a55c00443c651b87f0c0 [0,0,0,2,0,0|2,0,0]=4 8166 B13R2.5555 O=C(O)[C@H]1CCN(C1)C2CCC2 f47f3fc64ca623806fbda65734424617 [0,0,0,2,0,0|1,0,0]=3 8167 B13R2.5555 O=C(O)[C@H]1CCN(C1)C2COC2 b170f34b874d488147d4da8860d1ce58 [0,0,0,2,0,0|2,0,0]=4 8168 B13R2.13989 CC(=O)N1CCC2(C1)CCCC2 f34a1e5209339ec6d9c52bdf2dcb4193 [0,0,0,2,0,0|2,0,0]=4 8169 B13R2.11172 O=C1CCN(CCN1)C2CCC2 23790457066a4b42304052f2a581357c [0,0,0,2,0,0|2,0,0]=4 8170 B13R2.11178 O=C1CCCN(CC1)CC2CC2 de1d5f76b8b65075ed2597dc633adbd2 [0,0,0,2,0,0|2,0,0]=4 8171 B13R2.11178 O=C1CCN(CCN1)CC2CC2 13014e19d0078a13e90e5a2095e67a2f [0,0,0,2,0,0|2,0,0]=4 8172 B13R2.669 CCN1CC[C@@H]2CNC(=O)[C@@H]2C1 3afd6e7c873d24bcad4e1f4f503feb2c [0,0,0,2,0,0|2,0,0]=4 8173 B13R2.669 CCN1CC[C@H]2CNC(=O)[C@H]2C1 1b5e66c4d5a6fd30e04e80952d01f24e [0,0,0,2,0,0|2,0,0]=4 8174 B13R2.5849 CC(=O)CCN1C2C1CCCC2 22487302933b11abe652627f058279fd [0,0,0,2,0,0|2,0,0]=4 8175 B13R2.5849 NC(=O)CCN1C2C1CCCC2 9ffbe4e891a19031fbb34a1ce9614a57 [0,0,0,2,0,0|2,0,0]=4 8176 B13R2.5849 O=C(O)CCN1C2C1CCCC2 3e07eaa5d6167713f2af14ec3ec0e5e3 [0,0,0,2,0,0|1,0,0]=3 8177 B13R2.11314 CC1C(CN1CC2CC2)C(=O)O f5976ec4233745d81b726466050617ae [0,0,0,2,0,0|1,0,0]=3 8178 B13R2.11314 C[C@H]1[C@@H](CN1CC2CC2)C(=O)O 6cbf2219928d3f05e011003eb1e27793 [0,0,0,2,0,0|1,0,0]=3 8179 B13R2.7874 CCN1CC(C2(C1)CC2)C(=O)O 6b5b82054b0491090eb24b77d3ca0dc9 [0,0,0,2,0,0|1,0,0]=3 8180 B13R2.7874 CCN1C[C@@H](C2(C1)CC2)C(=O)O 25436683eef9d02083365dad2f4cab5d [0,0,0,2,0,0|1,0,0]=3 8181 B13R2.7874 CCN1C[C@H](C2(C1)CC2)C(=O)O 7e8caf536cf84a8c9fa0efc83d46acf6 [0,0,0,2,0,0|1,0,0]=3 8182 B13R2.7874 O=C(O)C1CN(CC12CC2)CF c1cf22e3960ee4aa62f1c21178681d28 [0,0,0,2,0,0|2,0,0]=4 8183 B13R2.7874 O=C(O)C1CN(CC12CC2)CO 0e93536bb5060cac0ffdca84702d3230 [0,0,0,2,0,0|2,0,0]=4 8184 B13R2.7874 O=C(O)[C@@H]1CN(CC12CC2)CF d04ed298261970b863f244b7aaf3715c [0,0,0,2,0,0|2,0,0]=4 8185 B13R2.7874 O=C(O)[C@@H]1CN(CC12CC2)CO fc66ccfc9a7d8dadd74bb55865140fe3 [0,0,0,2,0,0|2,0,0]=4 8186 B13R2.7874 O=C(O)[C@H]1CN(CC12CC2)CF 661f1b555e640be01e61730ac29824b4 [0,0,0,2,0,0|2,0,0]=4 8187 B13R2.7874 O=C(O)[C@H]1CN(CC12CC2)CO f959293fe70a7ac97b192eb29fe2b05b [0,0,0,2,0,0|2,0,0]=4 8188 B13R2.9585 CCN1CC2(CC2)CC1C(=O)O d3d19bb3db9620a6d55f95d7b6031dae [0,0,0,2,0,0|1,0,0]=3 8189 B13R2.9585 CCN1CC2(CC2)C[C@@H]1C(=O)O 19b3d5b152812d8cbd9068f89b98f0d5 [0,0,0,2,0,0|1,0,0]=3 8190 B13R2.9585 CCN1CC2(CC2)C[C@H]1C(=O)O 245ba133ce13461fbf002b24fc71bb4b [0,0,0,2,0,0|1,0,0]=3 8191 B13R2.9585 O=C(O)C1CC2(CC2)CN1CF 2a61f69e02f50ab88dc882b90cbab1d1 [0,0,0,2,0,0|2,0,0]=4 8192 B13R2.9585 O=C(O)C1CC2(CC2)CN1CO 24cee00d572a7a5bb3f4f6d313379634 [0,0,0,2,0,0|2,0,0]=4 8193 B13R2.9585 O=C(O)[C@@H]1CC2(CC2)CN1CF de72cc171bced7521fe4138db3eac977 [0,0,0,2,0,0|2,0,0]=4 8194 B13R2.9585 O=C(O)[C@@H]1CC2(CC2)CN1CO 8ebc5a8d5481b5bff3b47fc0bf48714e [0,0,0,2,0,0|2,0,0]=4 8195 B13R2.9585 O=C(O)[C@H]1CC2(CC2)CN1CF b46906cf0fb28946a070eb08a0edca97 [0,0,0,2,0,0|2,0,0]=4 8196 B13R2.9585 O=C(O)[C@H]1CC2(CC2)CN1CO f6aef209ef4ce2746ac4b073f2433713 [0,0,0,2,0,0|2,0,0]=4 8197 B13R2.21140 O=C(O)CNC1(CC1)C2COC2 785523068d7a4aee374903b5ba98fadd [0,0,0,2,0,0|2,0,0]=4 8198 B9R0.14 CCC(CC(=O)O)NCF c8416d3387249110d906445dfd47021b [1,0,0,0,1,0|2,0,0]=4 8199 B9R0.14 CCC(CC(=O)O)NCO 854a3f707e850876fb09e8e934a0addc [1,0,0,0,1,0|2,0,0]=4 8200 B9R0.14 CCC(CC(=O)O)OCF 468103e807211f2b09b87714cb52c75b [1,0,0,0,1,0|2,0,0]=4 8201 B9R0.14 CCCN(CC)CC(=O)N 9bf9e40bad95314a8a84e74e0471e384 [1,0,0,0,1,0|2,0,0]=4 8202 B9R0.14 CCCN(CC)CC(=O)O 3343166bff6a93f1a85ce8253803b19e [1,0,0,0,1,0|1,0,0]=3 8203 B9R0.14 CCCN(CF)CC(=O)O 21355191fdc7ce92b7c643dead498d77 [1,0,0,0,1,0|2,0,0]=4 8204 B9R0.14 CCCN(CO)CC(=O)O a14f517247eea95393f8f124f075bdf9 [1,0,0,0,1,0|2,0,0]=4 8205 B9R0.14 CCN(CCCl)CC(=O)O 403f715f5c6fe36d21bf6c5696a15127 [1,0,0,0,1,0|2,0,0]=4 8206 B9R0.14 CCN(CCF)CC(=O)O 9363597ee4b976e54757cc5583545bd2 [1,0,0,0,1,0|2,0,0]=4 8207 B9R0.14 CCN(CCO)CC(=O)O a910f1ae38fa7155c7b0579d5026162e [1,0,0,0,1,0|2,0,0]=4 8208 B9R0.14 CCN(CCS)CC(=O)O 6ec05f62d2e444c0ffbe9eee263c8a2c [1,0,0,0,1,0|2,0,0]=4 8209 B9R0.14 CCN(COC)CC(=O)O 396b8dfa8e235ba68ab33cc02ba85b2f [1,0,0,0,1,0|2,0,0]=4 8210 B9R0.14 CCN(CSC)CC(=O)O b9cab41d30c096602678e37256675821 [1,0,0,0,1,0|2,0,0]=4 8211 B9R0.14 CCNC(CC)CC(=O)O 46b3094fad7cebceb8943df84913f37e [1,0,0,0,1,0|1,0,0]=3 8212 B9R0.14 CCNC(CO)CC(=O)O de42f1ec16e1fb0c1f9931b1f91f5c75 [1,0,0,0,1,0|2,0,0]=4 8213 B9R0.14 CCN[C@@H](CC)CC(=O)O 21df25326eabd4481a004736f4916afa [1,0,0,0,1,0|1,0,0]=3 8214 B9R0.14 CCN[C@@H](CO)CC(=O)O 4c04f88414ade284e774f0dd3cf1d8d4 [1,0,0,0,1,0|2,0,0]=4 8215 B9R0.14 CCN[C@H](CC)CC(=O)O a15a38745d4cdc3a3747943041323451 [1,0,0,0,1,0|1,0,0]=3 8216 B9R0.14 CCN[C@H](CO)CC(=O)O a308a18a97c9f53f7fd9fcb31e04fbd8 [1,0,0,0,1,0|2,0,0]=4 8217 B9R0.14 CCOC(CC)CC(=O)O 067fe73a7b822a47a7ba0f3d160fbef0 [1,0,0,0,1,0|1,0,0]=3 8218 B9R0.14 CCO[C@@H](CC)CC(=O)O 33e42c57d3d148d94f92e79e109828f9 [1,0,0,0,1,0|1,0,0]=3 8219 B9R0.14 CCO[C@H](CC)CC(=O)O 455a3fd4e9034df148e3bfd48e87cfe6 [1,0,0,0,1,0|1,0,0]=3 8220 B9R0.14 CC[C@@H](CC(=O)O)NCF 2b6e17b5c5543b7aef94a495b74ba341 [1,0,0,0,1,0|2,0,0]=4 8221 B9R0.14 CC[C@@H](CC(=O)O)NCO 8aae4f0e6ae84c7880313232076671d3 [1,0,0,0,1,0|2,0,0]=4 8222 B9R0.14 CC[C@@H](CC(=O)O)OCF a3bfff8ada89b4fc30e51ffe3516e980 [1,0,0,0,1,0|2,0,0]=4 8223 B9R0.14 CC[C@H](CC(=O)O)NCF 4e32572c5ac7213e41a4a7032c96c0a8 [1,0,0,0,1,0|2,0,0]=4 8224 B9R0.14 CC[C@H](CC(=O)O)NCO fcd4074b59e4e3418d62793abb6ab9e1 [1,0,0,0,1,0|2,0,0]=4 8225 B9R0.14 CC[C@H](CC(=O)O)OCF 6ffc009862a12455bfd233e2a3930c6c [1,0,0,0,1,0|2,0,0]=4 8226 B9R0.4 CC(CC(=O)O)NCCBr e7e4b6e2fc1ea75d46b4b42316397fca [1,0,0,0,1,0|2,0,0]=4 8227 B9R0.4 CC(CC(=O)O)NCCF d1685d2be3fcc9d24c11d15d0d1d1325 [1,0,0,0,1,0|2,0,0]=4 8228 B9R0.4 CC(CC(=O)O)NCCI 94de66baab7b311efb40a9409058838e [1,0,0,0,1,0|2,0,0]=4 8229 B9R0.4 CC(CC(=O)O)NCCO 363ffb708fc7cb9d3ee89320c343223e [1,0,0,0,1,0|2,0,0]=4 8230 B9R0.4 CC(CC(=O)O)NCCS cdbc52c158398597a14b9e2a91a129d1 [1,0,0,0,1,0|2,0,0]=4 8231 B9R0.4 CC(CC(=O)O)OCCF 9f416da46c9c293ab23e60b18d16f471 [1,0,0,0,1,0|2,0,0]=4 8232 B9R0.4 CC(CC(=O)O)OCCS 3dd9e26375cdcf4681c093bf5c86e3fc [1,0,0,0,1,0|2,0,0]=4 8233 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [1,0,0,0,1,0|2,0,0]=4 8234 B9R0.4 CCCCN(C)CC(=O)N 11a1371995cbb23558bde2849897cd1f [1,0,0,0,1,0|2,0,0]=4 8235 B9R0.4 CCCCN(C)CC(=O)O 2ab0d2e55fe8aec010bf103a963bc69a [1,0,0,0,1,0|1,0,0]=3 8236 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [1,0,0,0,1,0|2,0,0]=4 8237 B9R0.4 CCCNC(C)CC(=O)O 2d5bf9ae8b9d33e8e5f89637131f543d [1,0,0,0,1,0|1,0,0]=3 8238 B9R0.4 CCCN[C@@H](C)CC(=O)O 7dd12827a70b6d0f3eb1d105dd87e0f1 [1,0,0,0,1,0|1,0,0]=3 8239 B9R0.4 CCCN[C@H](C)CC(=O)O 49558fe427823d5af7fc8494312831dd [1,0,0,0,1,0|1,0,0]=3 8240 B9R0.4 CCCOC(C)CC(=O)N 7cf4be07e7dc937d6ecb8463967854c0 [1,0,0,0,1,0|2,0,0]=4 8241 B9R0.4 CCCOC(C)CC(=O)O 464f5b57c4d27de1c96f770591eff582 [1,0,0,0,1,0|1,0,0]=3 8242 B9R0.4 CCCO[C@@H](C)CC(=O)O 672c62b3f5b285724de30ca7be3b4175 [1,0,0,0,1,0|1,0,0]=3 8243 B9R0.4 CCCO[C@H](C)CC(=O)O 78d34951f815792f2a0561852a75d7ea [1,0,0,0,1,0|1,0,0]=3 8244 B9R0.4 CCNCC(O)CC(=O)O 02bb2a3b8bce33db43c21894720f909a [1,0,0,0,1,0|2,0,0]=4 8245 B9R0.4 CCNC[C@@H](O)CC(=O)O 54b4ddf2085c3305103a3bf1339d420e [1,0,0,0,1,0|2,0,0]=4 8246 B9R0.4 CCNC[C@H](O)CC(=O)O 4584b045ec61df30c14bf052bebdc4b7 [1,0,0,0,1,0|2,0,0]=4 8247 B9R0.4 CCOCN(C)CC(=O)O 4256c877b9befd6c7672b731e0ef19d3 [1,0,0,0,1,0|2,0,0]=4 8248 B9R0.4 CN(CCCF)CC(=O)O daae18585a4edad046d8e7cf5857ea62 [1,0,0,0,1,0|2,0,0]=4 8249 B9R0.4 CN(CCCO)CC(=O)O 92663a30e18fe103a2042493da2adef9 [1,0,0,0,1,0|2,0,0]=4 8250 B9R0.4 CN(CCCS)CC(=O)O e6cefed2a7241559ae7d60ae4a2c5333 [1,0,0,0,1,0|2,0,0]=4 8251 B9R0.4 COCCN(C)CC(=O)O 3ec55bcb2ffdbac5ba2cd2153b901598 [1,0,0,0,1,0|2,0,0]=4 8252 B9R0.4 COCNC(C)CC(=O)O bdd3c4ac12ec667d560eb5ade66eadf9 [1,0,0,0,1,0|2,0,0]=4 8253 B9R0.4 COCN[C@@H](C)CC(=O)O 4b81306ee6db218e1b372a75a0b0c2f0 [1,0,0,0,1,0|2,0,0]=4 8254 B9R0.4 COCN[C@H](C)CC(=O)O 818aa4572c41952106f807fa5cf3ab38 [1,0,0,0,1,0|2,0,0]=4 8255 B9R0.4 COCOC(C)CC(=O)O e4795a30f6180746c828b10734be8c74 [1,0,0,0,1,0|2,0,0]=4 8256 B9R0.4 COCO[C@@H](C)CC(=O)O 49833e6f04b5f2fdf75e458c967a7948 [1,0,0,0,1,0|2,0,0]=4 8257 B9R0.4 COCO[C@H](C)CC(=O)O 765396246824776e46490c64897c4638 [1,0,0,0,1,0|2,0,0]=4 8258 B9R0.4 CSCCN(C)CC(=O)O 0f0cc55bdca109b4ba7871c4d09278eb [1,0,0,0,1,0|2,0,0]=4 8259 B9R0.4 CSCNC(C)CC(=O)O 4241a9c2ff111280db351016191e8370 [1,0,0,0,1,0|2,0,0]=4 8260 B9R0.4 CSCN[C@@H](C)CC(=O)O 726b4fd612fce34bc66b4c1104c65f69 [1,0,0,0,1,0|2,0,0]=4 8261 B9R0.4 CSCN[C@H](C)CC(=O)O 93bb6ece58999a9701d836c8d56af5da [1,0,0,0,1,0|2,0,0]=4 8262 B9R0.4 CSCOC(C)CC(=O)O 8960316d76a52d36cff0632f6a8a6a82 [1,0,0,0,1,0|2,0,0]=4 8263 B9R0.4 CSCO[C@@H](C)CC(=O)O 950648eb7385f49e6308659ead0c2a76 [1,0,0,0,1,0|2,0,0]=4 8264 B9R0.4 CSCO[C@H](C)CC(=O)O e5cb5d5e67dbe01167902ba3b365c14b [1,0,0,0,1,0|2,0,0]=4 8265 B9R0.4 C[C@@H](CC(=O)O)NCCF 618a0c24e5c55843ce8edb4caec723f0 [1,0,0,0,1,0|2,0,0]=4 8266 B9R0.4 C[C@@H](CC(=O)O)NCCO f1302a077d62282b824321ee35a8059e [1,0,0,0,1,0|2,0,0]=4 8267 B9R0.4 C[C@@H](CC(=O)O)NCCS 5d7d40247ddb99f3d68b90786e69ddbb [1,0,0,0,1,0|2,0,0]=4 8268 B9R0.4 C[C@@H](CC(=O)O)OCCF 5c0f2e4119dfa55ab335c16ab0367197 [1,0,0,0,1,0|2,0,0]=4 8269 B9R0.4 C[C@@H](CC(=O)O)OCCS 95108e5655092fc4113468a510808654 [1,0,0,0,1,0|2,0,0]=4 8270 B9R0.4 C[C@H](CC(=O)O)NCCF 20751cb9b29a347f4c1a5217e86a8518 [1,0,0,0,1,0|2,0,0]=4 8271 B9R0.4 C[C@H](CC(=O)O)NCCO 5a022e1cde4048f3a447d9f460edd75d [1,0,0,0,1,0|2,0,0]=4 8272 B9R0.4 C[C@H](CC(=O)O)NCCS 0e4f4fa60a5012cf1fca3e5091c18f41 [1,0,0,0,1,0|2,0,0]=4 8273 B9R0.4 C[C@H](CC(=O)O)OCCF f5b48f7a21ef3e4b18c68d6fc0bb22c6 [1,0,0,0,1,0|2,0,0]=4 8274 B9R0.4 C[C@H](CC(=O)O)OCCS a1e94870d79cddf896a1bd4028514c04 [1,0,0,0,1,0|2,0,0]=4 8275 B9R0.13 CCC(NCCBr)C(=O)O 60b3a5cec1771b7f3abdb67726cb92d4 [0,0,0,0,2,0|2,0,0]=4 8276 B9R0.13 CCC(NCCF)C(=O)O f00d042b671287c74e43c494b5cb091f [0,0,0,0,2,0|2,0,0]=4 8277 B9R0.13 CCC(NCCI)C(=O)O e2ba567d8906f9f386d4d3c7d9da02d9 [0,0,0,0,2,0|2,0,0]=4 8278 B9R0.13 CCC(NCCO)C(=O)O 1243b32011dafc3df4fb73416c3d434f [0,0,0,0,2,0|2,0,0]=4 8279 B9R0.13 CCC(NCCS)C(=O)O cf45ba956b95450629f68d6bc51c2075 [0,0,0,0,2,0|2,0,0]=4 8280 B9R0.13 CCC(NCOC)C(=O)O 29bdf399d9540f3750b5dbde7f57f2de [0,0,0,0,2,0|2,0,0]=4 8281 B9R0.13 CCC(NCSC)C(=O)O d79342730ef2d3fa4148bd4194f0c1b1 [0,0,0,0,2,0|2,0,0]=4 8282 B9R0.13 CCC(OCCF)C(=O)O c00ad7906612369696071846d56d58d6 [0,0,0,0,2,0|2,0,0]=4 8283 B9R0.13 CCC(OCCS)C(=O)O e3af5c4fd79a95335149ab48b00e4e02 [0,0,0,0,2,0|2,0,0]=4 8284 B9R0.13 CCC(OCOC)C(=O)O e6b9c845d6bb5735a4f158a19827bbda [0,0,0,0,2,0|2,0,0]=4 8285 B9R0.13 CCC(OCSC)C(=O)O ccd4ff15a6e6eec5f462ba7c168ece60 [0,0,0,0,2,0|2,0,0]=4 8286 B9R0.13 CCCCN(CC)C(=O)C 6dcc903ab553d1d8d7c18d1a9b5cfc71 [0,0,0,0,2,0|2,0,0]=4 8287 B9R0.13 CCCNC(CC)C(=O)N 667caeb7a94f8d9ae9b36913fbb97e0d [0,0,0,0,2,0|2,0,0]=4 8288 B9R0.13 CCCNC(CC)C(=O)O f069c353f507c75e209c8348074371d9 [0,0,0,0,2,0|1,0,0]=3 8289 B9R0.13 CCCNC(CCl)C(=O)O 83d744b2a78bac7ef1fc1246b7f75153 [0,0,0,0,2,0|2,0,0]=4 8290 B9R0.13 CCCNC(CF)C(=O)O 2674f23278ea23c1a3fd9e79cc64f417 [0,0,0,0,2,0|2,0,0]=4 8291 B9R0.13 CCCNC(CO)C(=O)O f78fc4da322d7ff361a6dd4f22023970 [0,0,0,0,2,0|2,0,0]=4 8292 B9R0.13 CCCNC(CS)C(=O)O 7ab935d1954160e0fa48d269e73468b7 [0,0,0,0,2,0|2,0,0]=4 8293 B9R0.13 CCCN[C@@H](CC)C(=O)N bb80f4d26611993ee0bd284d09039684 [0,0,0,0,2,0|2,0,0]=4 8294 B9R0.13 CCCN[C@@H](CC)C(=O)O 4af529648ddb980425c401ff5a4b13f1 [0,0,0,0,2,0|1,0,0]=3 8295 B9R0.13 CCCN[C@@H](CCl)C(=O)O dab0665f81f97191818ff25180caa069 [0,0,0,0,2,0|2,0,0]=4 8296 B9R0.13 CCCN[C@@H](CO)C(=O)O ddf3b03c8510fbc5ca4e2daff87a28f4 [0,0,0,0,2,0|2,0,0]=4 8297 B9R0.13 CCCN[C@@H](CS)C(=O)O e3a74b3aff5bc12b4b6807001695fe2d [0,0,0,0,2,0|2,0,0]=4 8298 B9R0.13 CCCN[C@H](CC)C(=O)O 61d39a4878aa39f0678d7acfbc68cb8c [0,0,0,0,2,0|1,0,0]=3 8299 B9R0.13 CCCN[C@H](CCl)C(=O)O 4dc35c1012b0d0bb7903731dd1c16a51 [0,0,0,0,2,0|2,0,0]=4 8300 B9R0.13 CCCN[C@H](CO)C(=O)O 8cf55344ec2a8ea73259764a0785501b [0,0,0,0,2,0|2,0,0]=4 8301 B9R0.13 CCCN[C@H](CS)C(=O)O a0487dcbe4739001e1f7043af5abb830 [0,0,0,0,2,0|2,0,0]=4 8302 B9R0.13 CCCOC(CC)C(=O)N 9fda2f7e2d6a6a11459fa617236d25bc [0,0,0,0,2,0|2,0,0]=4 8303 B9R0.13 CCCOC(CC)C(=O)O 3313398866cda9d19c5a77c88cc36eb1 [0,0,0,0,2,0|1,0,0]=3 8304 B9R0.13 CCCO[C@@H](CC)C(=O)O cc9a140b3b6be041090ec10f8ce0cd25 [0,0,0,0,2,0|1,0,0]=3 8305 B9R0.13 CCCO[C@H](CC)C(=O)O 8d217e6f2224fafe55f85fa98a7934d5 [0,0,0,0,2,0|1,0,0]=3 8306 B9R0.13 CCCO[C@H](CF)C(=O)O 29086d9c9cd694f8fc4088578e463f2a [0,0,0,0,2,0|2,0,0]=4 8307 B9R0.13 CCNC[C@H](CC)C(=O)O cffe2fea12875251a32367199af5f540 [0,0,0,0,2,0|1,0,0]=3 8308 B9R0.13 CCNC[C@H](CO)C(=O)O a286bd4559b6a8b5982e2ab8701c93f1 [0,0,0,0,2,0|2,0,0]=4 8309 B9R0.13 CC[C@@H](CNCF)C(=O)O 981bb3911586f255abbfb5961cfb78eb [0,0,0,0,2,0|2,0,0]=4 8310 B9R0.13 CC[C@@H](CNCO)C(=O)O 68f9ed5f73d960fd989ccce413eebff8 [0,0,0,0,2,0|2,0,0]=4 8311 B9R0.13 CC[C@@H](NCCBr)C(=O)O bb6c187dee35d2ba390554d16dc4aa9c [0,0,0,0,2,0|2,0,0]=4 8312 B9R0.13 CC[C@@H](NCCF)C(=O)O b0e08cededed6f6c7a36fd6ec86e9e11 [0,0,0,0,2,0|2,0,0]=4 8313 B9R0.13 CC[C@@H](NCCI)C(=O)O 6c91d06ea51585e4b95ef8a66d270abe [0,0,0,0,2,0|2,0,0]=4 8314 B9R0.13 CC[C@@H](NCCO)C(=O)O e99f1fcc90431ea7ee28ab87555e864d [0,0,0,0,2,0|2,0,0]=4 8315 B9R0.13 CC[C@@H](NCCS)C(=O)O 14a5bfc0158c777ba30bd0f0cd7926c2 [0,0,0,0,2,0|2,0,0]=4 8316 B9R0.13 CC[C@@H](NCOC)C(=O)O afdab15192460f324c62f62289f5efe2 [0,0,0,0,2,0|2,0,0]=4 8317 B9R0.13 CC[C@@H](NCSC)C(=O)O 5454d4f202e581954955a2783886044d [0,0,0,0,2,0|2,0,0]=4 8318 B9R0.13 CC[C@@H](OCCF)C(=O)O 4399f51e9aa45bac3aec0e2f73a04ce4 [0,0,0,0,2,0|2,0,0]=4 8319 B9R0.13 CC[C@@H](OCCS)C(=O)O 66d55e860e2b27d00267a7f39525c672 [0,0,0,0,2,0|2,0,0]=4 8320 B9R0.13 CC[C@@H](OCOC)C(=O)O eaf672c9caead4abfc19e8f6a11051c8 [0,0,0,0,2,0|2,0,0]=4 8321 B9R0.13 CC[C@@H](OCSC)C(=O)O f1b1aa50116639e72a339c9ead522291 [0,0,0,0,2,0|2,0,0]=4 8322 B9R0.13 CC[C@H](NCCBr)C(=O)O e8e22504c7ea9404e3c376c4c793bb5c [0,0,0,0,2,0|2,0,0]=4 8323 B9R0.13 CC[C@H](NCCF)C(=O)O d1f8996afde19b0565d59a42f964550f [0,0,0,0,2,0|2,0,0]=4 8324 B9R0.13 CC[C@H](NCCI)C(=O)O 3a6efc8b485391f685b4ae297821e21f [0,0,0,0,2,0|2,0,0]=4 8325 B9R0.13 CC[C@H](NCCO)C(=O)O 1c6b8d756acf8f1db276283748fda969 [0,0,0,0,2,0|2,0,0]=4 8326 B9R0.13 CC[C@H](NCCS)C(=O)O c38a05c741bf6a8c2505ebb00a626765 [0,0,0,0,2,0|2,0,0]=4 8327 B9R0.13 CC[C@H](NCOC)C(=O)O 8ff3b44341478cbcc46f6485e982ee40 [0,0,0,0,2,0|2,0,0]=4 8328 B9R0.13 CC[C@H](NCSC)C(=O)O 215e8fc56b12daa5ff5365fc69da45a2 [0,0,0,0,2,0|2,0,0]=4 8329 B9R0.13 CC[C@H](OCCF)C(=O)O 516044a5d658494039eb40ae3a9e3d22 [0,0,0,0,2,0|2,0,0]=4 8330 B9R0.13 CC[C@H](OCCS)C(=O)O d0432edc92842a426feefec6e58ff53e [0,0,0,0,2,0|2,0,0]=4 8331 B9R0.13 CC[C@H](OCOC)C(=O)O 986ecf86f31a1bbe015cd3e780e6ebfd [0,0,0,0,2,0|2,0,0]=4 8332 B9R0.13 CC[C@H](OCSC)C(=O)O f2917a5a83a3472b302dcc248b0acae0 [0,0,0,0,2,0|2,0,0]=4 8333 B11R0.45 C#CC(CCC)OCCC(=O)O fed4183e4bf48cce1398a587112d8a73 [1,0,0,0,0,1|0,0,2]=4 8334 B11R0.45 C#CCC(CC)OCCC(=O)O 02889558c7db33702a0688f975299730 [1,0,0,0,0,1|0,0,2]=4 8335 B11R0.45 C=C(Br)CCOC(CC)CCC 48d4d1704d79faeb285b7e284421912a [1,0,0,0,0,1|2,0,0]=4 8336 B11R0.45 C=C(Br)COCC(CC)CCC 4628988f74b647e86558160410d1edf4 [1,0,0,0,0,1|2,0,0]=4 8337 B11R0.45 C=C(C)CCNC(CC)CCC 780bbff52cf33c4d1f206fbc127b2f89 [1,0,0,0,0,1|2,0,0]=4 8338 B11R0.45 C=C(C)CCOC(CC)CCC df0a0ee627b3d6f685dfafd03609bdb9 [1,0,0,0,0,1|2,0,0]=4 8339 B11R0.45 C=C(C)CCO[C@H](CC)CCC e8dbef57a12314832a3e4bec913fed16 [1,0,0,0,0,1|2,0,0]=4 8340 B11R0.45 C=C(C)COCC(CC)CCC 15a10cc0bbe47d971c70327c64846dbf [1,0,0,0,0,1|2,0,0]=4 8341 B11R0.45 C=C(Cl)COCC(CC)CCC f92df60fabb9cb9a254ae45c96f52d07 [1,0,0,0,0,1|2,0,0]=4 8342 B11R0.45 C=C(F)COCC(CC)CCC 4d9eb5788dea6d4134464a1cda9ab0a3 [1,0,0,0,0,1|2,0,0]=4 8343 B11R0.45 C=CC(CCC)OCCC(=O)O cbc7914e7c053677f8bf1d6a312ce800 [1,0,0,0,0,1|0,0,2]=4 8344 B11R0.45 CCC(CC#N)NCCC(=O)O bc92268c888125d3084f5ecfca1b3a0a [1,0,0,0,0,1|1,0,1]=4 8345 B11R0.45 CCC(CC#N)OCCC(=O)O f4caef38d3152cf18d7fb65d3f9d468c [1,0,0,0,0,1|1,0,1]=4 8346 B11R0.45 CCC(COC)NCCC(=O)C a06c84a69b508b0f70e76fc9c17ce083 [1,0,0,0,0,1|2,0,0]=4 8347 B11R0.45 CCC(COC)NCCC(=O)N 2cf6198ea5fc40aa2a1730fe2f4a1124 [1,0,0,0,0,1|2,0,0]=4 8348 B11R0.45 CCC(COC)NCCC(=O)O 007e760ab426d4140075349fafc35a13 [1,0,0,0,0,1|1,0,0]=3 8349 B11R0.45 CCC(COC)OCCC(=O)C 6ba34be49a14e27b5ec6b78176a480dd [1,0,0,0,0,1|2,0,0]=4 8350 B11R0.45 CCC(COC)OCCC(=O)N 1a568caed6d1e1e8f8754d623b5ebebb [1,0,0,0,0,1|2,0,0]=4 8351 B11R0.45 CCC(COC)OCCC(=O)O 109dac5e00ef75a1d211dc979a4aa8b3 [1,0,0,0,0,1|1,0,0]=3 8352 B11R0.45 CCC(CSC)OCCC(=O)C 32010c2afd60a98b20520665d59a3505 [1,0,0,0,0,1|2,0,0]=4 8353 B11R0.45 CCC(CSC)OCCC(=O)N a9766135a19366c40f05cfff12e5e5d1 [1,0,0,0,0,1|2,0,0]=4 8354 B11R0.45 CCCC(C#N)OCCC(=O)O 57c303764cb2dcf124eb7d0553a0f1fc [1,0,0,0,0,1|1,0,1]=4 8355 B11R0.45 CCCC(CC)COCC(=O)N e75693bc5b7c907ac2d8158ba0d61efd [1,0,0,0,0,1|1,0,0]=3 8356 B11R0.45 CCCC(CC)COCC(=O)O 0a07cc93323aabca29a119419f74de9e [1,0,0,0,0,1|0,0,0]=2 8357 B11R0.45 CCCC(CC)COC[N+](=O)[O-] e044e85b9ed6cac55180bcdaf922b415 [1,0,0,0,0,1|1,0,1]=4 8358 B11R0.45 CCCC(CC)NCCC(=O)N 6dde7c15ccf12d04379041092798af99 [1,0,0,0,0,1|1,0,0]=3 8359 B11R0.45 CCCC(CC)NCCC(=O)O 87afa9b06596c8fb9822a2d89573fabd [1,0,0,0,0,1|0,0,0]=2 8360 B11R0.45 CCCC(CC)NCCC(=S)N 45681dd08b92a1cc8a8a77f80d64a27d [1,0,0,0,0,1|1,1,0]=4 8361 B11R0.45 CCCC(CC)NCCC(C)O 130d574b55b863e75cb909308efdc574 [1,0,0,0,0,1|1,0,1]=4 8362 B11R0.45 CCCC(CC)NCCS(=O)C 8b7a2796a529e4958cd306c71317fd07 [1,0,0,0,0,1|2,0,0]=4 8363 B11R0.45 CCCC(CC)NCCS(=O)O 08371a27a68b037d4e55b39aeffc571a [1,0,0,0,0,1|1,0,0]=3 8364 B11R0.45 CCCC(CC)NCC[C@@H](C)O 95e459294b48bb6093e5c004700c4d67 [1,0,0,0,0,1|1,0,1]=4 8365 B11R0.45 CCCC(CC)NCC[C@H](C)O 77287ff9e3ceb4556326361ffa3b535e [1,0,0,0,0,1|1,0,1]=4 8366 B11R0.45 CCCC(CC)OCCC(=O)C 5bb7770e07b9baacdb60c41d4c36d2b4 [1,0,0,0,0,1|1,0,0]=3 8367 B11R0.45 CCCC(CC)OCCC(=O)N 650a24c9d1ca6ca2af126bbade6172c9 [1,0,0,0,0,1|1,0,0]=3 8368 B11R0.45 CCCC(CC)OCCC(=O)O 64192e8805d7193b6561d34ea75edc29 [1,0,0,0,0,1|0,0,0]=2 8369 B11R0.45 CCCC(CC)OCCS(=O)C 587e657fd270609aa80f0c5b3d05e00c [1,0,0,0,0,1|2,0,0]=4 8370 B11R0.45 CCCC(CC)OCC[N+](=O)[O-] fb9cc92ee3e5384c9af32b47121ae2db [1,0,0,0,0,1|1,0,1]=4 8371 B11R0.45 CCCC(CC)OCNC(=O)C 706068c5bc5e600a4210dbacd48e798e [1,0,0,0,0,1|2,0,0]=4 8372 B11R0.45 CCCC(CC)OCNC(=O)N ba19eaacba1865f2b81bee6aaeec0d1e [1,0,0,0,0,1|2,0,0]=4 8373 B11R0.45 CCCC(CC)OCOC(=O)C a8dc7c1835bdeb471ddec34a1954799a [1,0,0,0,0,1|2,0,0]=4 8374 B11R0.45 CCCC(CC)OCSC(=O)N 1a985bfb17eab5ec2ae936eb76af506c [1,0,0,0,0,1|2,0,0]=4 8375 B11R0.45 CCCC(CO)NCCC(=O)C 5f14558e6a629c77aa99aaebbd3b4928 [1,0,0,0,0,1|2,0,0]=4 8376 B11R0.45 CCCC(CO)NCCC(=O)N de60b7f8d519b788643103e9f792a76a [1,0,0,0,0,1|2,0,0]=4 8377 B11R0.45 CCCC(CO)NCCC(=O)O fd38f011d9553c28f4f37012c64074eb [1,0,0,0,0,1|1,0,0]=3 8378 B11R0.45 CCCN(CC)C/C=C/C(=O)O 99045f9b6b396f4e30213d9f5811144c [1,0,0,0,0,1|1,0,1]=4 8379 B11R0.45 CCCN(CC)CC=CC(=O)O 20f5c971c005001092740582838e45ba [1,0,0,0,0,1|1,0,1]=4 8380 B11R0.45 CCCN(CC)CCCC(=O)C dbfec841f1594b93f3ccbe44ae2ba4fd [1,0,0,0,0,1|2,0,0]=4 8381 B11R0.45 CCCN(CC)CCCC(=O)N 54a5fe58e6ec8994298ec569491c72bf [1,0,0,0,0,1|2,0,0]=4 8382 B11R0.45 CCCN(CC)CCNC(=O)C d5be935a4ba28a853076497835c38a4f [1,0,0,0,0,1|2,0,0]=4 8383 B11R0.45 CCCN(CC)CCNC(=O)N 8c0494badc3008aa40362517eb01a924 [1,0,0,0,0,1|2,0,0]=4 8384 B11R0.45 CCCN(CC)CCOC(=O)C 2a235f783d7ac01cced159e74407776f [1,0,0,0,0,1|2,0,0]=4 8385 B11R0.45 CCCN(CC)CCSC(=O)C c49f2addd8225283a07c355a1e47fbb0 [1,0,0,0,0,1|2,0,0]=4 8386 B11R0.45 CCC[C@@H](CC)OCCC(=O)C 19c77d1b8f2d0946ca3560c3ef4c823b [1,0,0,0,0,1|1,0,0]=3 8387 B11R0.45 CCC[C@@H](CC)OCCC(=O)N 79fbb551c996bdbb5c54582e62fb7fa5 [1,0,0,0,0,1|1,0,0]=3 8388 B11R0.45 CCC[C@@H](CC)OCCC(=O)O 2c02e1dc8e8920a3010881b7719d251f [1,0,0,0,0,1|0,0,0]=2 8389 B11R0.45 CCC[C@@H](CC)OCCS(=O)C 83b4f5d5c33f01ac9a1b4a531220dbd3 [1,0,0,0,0,1|2,0,0]=4 8390 B11R0.45 CCC[C@@H](CC)OCOC(=O)C 359a7e2ee8ddb11ef300359e8921a348 [1,0,0,0,0,1|2,0,0]=4 8391 B11R0.45 CCC[C@@H](CC)OCSC(=O)N 6d4a944c9fbbe1c852e7541b6559c70a [1,0,0,0,0,1|2,0,0]=4 8392 B11R0.45 CCC[C@@H](CO)NCCC(=O)C 887fb42b2975a0544a7fd2dc8b7d71c3 [1,0,0,0,0,1|2,0,0]=4 8393 B11R0.45 CCC[C@@H](CO)NCCC(=O)N 51d62ba698f887481f6d6d2add790d3b [1,0,0,0,0,1|2,0,0]=4 8394 B11R0.45 CCC[C@@H](CO)NCCC(=O)O 573733e16c2867b53e66c176341f2b06 [1,0,0,0,0,1|1,0,0]=3 8395 B11R0.45 CCC[C@H](CO)NCCC(=O)C deafc7385a34b8e125d9720abdd34ad8 [1,0,0,0,0,1|2,0,0]=4 8396 B11R0.45 CCC[C@H](CO)NCCC(=O)N 5834b14a7615f1697423106451b9baa3 [1,0,0,0,0,1|2,0,0]=4 8397 B11R0.45 CCC[C@H](CO)NCCC(=O)O f8741052230873142788a3314d4b7f88 [1,0,0,0,0,1|1,0,0]=3 8398 B11R0.45 CCOC(CC)CNCC(=O)C 25c68e6ce05ed70d5159ef01be2083be [1,0,0,0,0,1|2,0,0]=4 8399 B11R0.45 CCOC(CC)CNCC(=O)N 6a4cb28856aa9c396f01796eb32b1d17 [1,0,0,0,0,1|2,0,0]=4 8400 B11R0.45 CCOC(CC)CNCC(=O)O 93ad4bdb15a10fc0d8dbdf3fc486a78c [1,0,0,0,0,1|1,0,0]=3 8401 B11R0.45 CCOC(CC)COCC(=O)C 195d77dc104fb67a49f8a22f5a363f3f [1,0,0,0,0,1|2,0,0]=4 8402 B11R0.45 CCOC(CC)COCC(=O)N 11745edc4493ceda0a3328e0c211b079 [1,0,0,0,0,1|2,0,0]=4 8403 B11R0.45 CCOC(CC)COCC(=O)O 3dbf31cfeda885c480496450f4c13b08 [1,0,0,0,0,1|1,0,0]=3 8404 B11R0.45 CCOC(CC)COCS(=O)O d76f932b251f41e4d8bf89c0112bd6a8 [1,0,0,0,0,1|2,0,0]=4 8405 B11R0.45 CC[C@@H](CC#N)NCCC(=O)O dfa29bc5248b5bd3578d77d2798bd2c7 [1,0,0,0,0,1|1,0,1]=4 8406 B11R0.45 CC[C@H](CC#N)NCCC(=O)O 99345f2f3618705ff8a3d533302ba1fe [1,0,0,0,0,1|1,0,1]=4 8407 B11R0.45 CC[C@H](CC#N)OCCC(=O)O ebf41aff95c885f1fed3de7b062622b6 [1,0,0,0,0,1|1,0,1]=4 8408 B11R0.45 COCC(CO)NCCC(=O)O 662a345ccbf9b113881d6e0c61398acf [1,0,0,0,0,1|2,0,0]=4 8409 B11R0.45 CSCC(CO)NCCC(=O)O ee9d4f268a2f2c8acad8b3e8efc23ca9 [1,0,0,0,0,1|2,0,0]=4 8410 B11R0.45 O=C(O)CCNC(CO)CCO 85a112ed97d45add798665b450114b69 [1,0,0,0,0,1|2,0,0]=4 8411 B11R0.45 O=C(O)CCN[C@@H](CO)CCO 3b92ea3492edae38655af13e589880e1 [1,0,0,0,0,1|2,0,0]=4 8412 B11R0.45 O=C(O)CCOC(CCl)CCCl 45317cc55f7d34408cdd303e42d8ba66 [1,0,0,0,0,1|2,0,0]=4 8413 B11R0.45 O=C(O)CCO[C@@H](CO)CCO 898684bc455596ef19494fa5b4c52e82 [1,0,0,0,0,1|2,0,0]=4 8414 B11R0.147 C=C(Br)CCOC(C)CCCC 57fbef68903a7a44638db1b29ab29722 [1,0,0,0,0,1|2,0,0]=4 8415 B11R0.147 C=C(Br)COCC(C)CCCC 6435aa5f33030a828c9d1151e9717b6d [1,0,0,0,0,1|2,0,0]=4 8416 B11R0.147 C=C(C)CCNC(C)CCCC 5132ba6f10db886702a5ae14cd8822e6 [1,0,0,0,0,1|2,0,0]=4 8417 B11R0.147 C=C(C)CCN[C@H](C)CCCC 97f4861932181f63d962ad1a8ca3a7de [1,0,0,0,0,1|2,0,0]=4 8418 B11R0.147 C=C(C)CCOC(C)CCCC eed93de6087a786daad053845bf45aa8 [1,0,0,0,0,1|2,0,0]=4 8419 B11R0.147 C=C(C)CCO[C@@H](C)CCCC 51b1ba7b81bd29b0a0d65e4292d030c1 [1,0,0,0,0,1|2,0,0]=4 8420 B11R0.147 C=C(C)CCO[C@H](C)CCCC 95bd20b65d7919c04c476c5aaee6a6e7 [1,0,0,0,0,1|2,0,0]=4 8421 B11R0.147 C=C(C)COCC(C)CCCC 0d6c2674863aa4710898f6db4b2071ad [1,0,0,0,0,1|2,0,0]=4 8422 B11R0.147 C=C(Cl)COCC(C)CCCC fc47d7dc41f5fca362bb45130b0be302 [1,0,0,0,0,1|2,0,0]=4 8423 B11R0.147 C=C(F)COCC(C)CCCC 4e24cf9c78b835b6a60c3088d6fc77a2 [1,0,0,0,0,1|2,0,0]=4 8424 B11R0.147 C=CCCC(C)NCCC(=O)O 336c37156388903affc4d3fac03da16f [1,0,0,0,0,1|0,0,2]=4 8425 B11R0.147 C=CCCC(C)OCCC(=O)O c8005f5a8bf42c9b20de5db906950509 [1,0,0,0,0,1|0,0,2]=4 8426 B11R0.147 C=CCC[C@@H](C)OCCC(=O)O 39dc89129a3bc546d97c0d0caf093529 [1,0,0,0,0,1|0,0,2]=4 8427 B11R0.147 CC(=O)CCNC(C)CCCO 001f5a0128ff4b06b11147cb0bfc8d93 [1,0,0,0,0,1|2,0,0]=4 8428 B11R0.147 CC(=O)CCN[C@H](C)CCCO 23aca1da87fed57649f169a88df98cd0 [1,0,0,0,0,1|2,0,0]=4 8429 B11R0.147 CC(CCC#N)NCCC(=O)O 0729f5a1190c32c47a15e5f67f4c6d05 [1,0,0,0,0,1|1,0,1]=4 8430 B11R0.147 CC(CCC#N)OCCC(=O)O 16e0d4ab4e4066faf442b8556c567ae2 [1,0,0,0,0,1|1,0,1]=4 8431 B11R0.147 CC(CCCO)NCCC(=O)N e3e45b61f76b65686744a6c63d8893f7 [1,0,0,0,0,1|2,0,0]=4 8432 B11R0.147 CC(CCCO)NCCC(=O)O 0a84f673b85627d338064254e1b9d482 [1,0,0,0,0,1|1,0,0]=3 8433 B11R0.147 CC(CCCO)NCCS(=O)O 75285de08b88b5bebf65c2ed6fcce369 [1,0,0,0,0,1|2,0,0]=4 8434 B11R0.147 CCC#CC(C)OCCC(=O)O 9fe01789c580bcc57150d9e7d31f88d1 [1,0,0,0,0,1|0,0,2]=4 8435 B11R0.147 CCCCC(C)COCC(=O)N 0c47a81ee857be86a93c87a99d89593c [1,0,0,0,0,1|1,0,0]=3 8436 B11R0.147 CCCCC(C)COCC(=O)O 9ef64333eda5ab77446d850437b4b702 [1,0,0,0,0,1|0,0,0]=2 8437 B11R0.147 CCCCC(C)COC[N+](=O)[O-] c4c46fa215e9aa4816f5e1afebea0a16 [1,0,0,0,0,1|1,0,1]=4 8438 B11R0.147 CCCCC(C)NCCC(=O)C edcd28c8eaa8bf7db1d99a2ef0778d5c [1,0,0,0,0,1|1,0,0]=3 8439 B11R0.147 CCCCC(C)NCCC(=O)N 14a90b758e7a718aaea53884a12b78ad [1,0,0,0,0,1|1,0,0]=3 8440 B11R0.147 CCCCC(C)NCCC(=O)O c7b1f15f3546628c2966408987ee05d4 [1,0,0,0,0,1|0,0,0]=2 8441 B11R0.147 CCCCC(C)NCCC(=S)N aafbce0cfd20f6a4859cdefcf8b1aa7b [1,0,0,0,0,1|1,1,0]=4 8442 B11R0.147 CCCCC(C)NCCC(C)O 5228767d4eae014027fcab6cbf47345b [1,0,0,0,0,1|1,0,1]=4 8443 B11R0.147 CCCCC(C)NCCS(=O)C 0766821aaf5459d16d5f61928195e1f8 [1,0,0,0,0,1|2,0,0]=4 8444 B11R0.147 CCCCC(C)NCCS(=O)O a6239b5c52a32f0915315c1ddaa48240 [1,0,0,0,0,1|1,0,0]=3 8445 B11R0.147 CCCCC(C)NCC[C@@H](C)O 92392685f0b98d3de410a27475b9862c [1,0,0,0,0,1|1,0,1]=4 8446 B11R0.147 CCCCC(C)NCC[C@H](C)O a65475a40409c36c47f9e4d0358a16f7 [1,0,0,0,0,1|1,0,1]=4 8447 B11R0.147 CCCCC(C)NCOC(=O)C 6e9dce9d46a1b923193ab716bfc9a2b4 [1,0,0,0,0,1|2,0,0]=4 8448 B11R0.147 CCCCC(C)NCSC(=O)N 3ccc75edc3ee531337095cf9b15235ee [1,0,0,0,0,1|2,0,0]=4 8449 B11R0.147 CCCCC(C)OCCC(=O)C ebeebc9e296cbe6f0a98ad631ab6f24b [1,0,0,0,0,1|1,0,0]=3 8450 B11R0.147 CCCCC(C)OCCC(=O)N bb32f8eea69e27f7214519c9c704ee7e [1,0,0,0,0,1|1,0,0]=3 8451 B11R0.147 CCCCC(C)OCCS(=O)C e3b48eab272e3cb316f44a8d4afae1d5 [1,0,0,0,0,1|2,0,0]=4 8452 B11R0.147 CCCCC(C)OCC[N+](=O)[O-] 3d30bed66ac88aa9e8ef2b525b66f942 [1,0,0,0,0,1|1,0,1]=4 8453 B11R0.147 CCCCC(C)OCNC(=O)C aa5f8abe48d6be083b29716c596a2478 [1,0,0,0,0,1|2,0,0]=4 8454 B11R0.147 CCCCC(C)OCNC(=O)N 494b9a35ad7d9688657774edd0d30a9b [1,0,0,0,0,1|2,0,0]=4 8455 B11R0.147 CCCCC(C)OCOC(=O)C 8707e50adfbd9cf727be9afd38249d28 [1,0,0,0,0,1|2,0,0]=4 8456 B11R0.147 CCCCC(C)OCSC(=O)N 8bdb6068cc82fb3c680bd08b6ec3f426 [1,0,0,0,0,1|2,0,0]=4 8457 B11R0.147 CCCCC(O)CNCC(=O)N 9c9ea850869139399386cf5bd9f959d2 [1,0,0,0,0,1|2,0,0]=4 8458 B11R0.147 CCCCC(O)CNCC(=O)O 12d23a216214115c26b91a124bcfe6f6 [1,0,0,0,0,1|1,0,0]=3 8459 B11R0.147 CCCCN(C)C/C=C/C(=O)O 1468e44538bb2dcf9e68348869022de5 [1,0,0,0,0,1|1,0,1]=4 8460 B11R0.147 CCCCN(C)CC=CC(=O)O 91523936f35958628669ae3746fa7c61 [1,0,0,0,0,1|1,0,1]=4 8461 B11R0.147 CCCCN(C)CCCC(=O)C abc7666fa9422368eaa5ed52008f4eec [1,0,0,0,0,1|2,0,0]=4 8462 B11R0.147 CCCCN(C)CCCC(=O)N 10f1e70d4deedd76e23ba9a5f3f7fa86 [1,0,0,0,0,1|2,0,0]=4 8463 B11R0.147 CCCCN(C)CCCC(=O)O d27e769f81999c0feb094daf3684f278 [1,0,0,0,0,1|1,0,0]=3 8464 B11R0.147 CCCCN(C)CCNC(=O)C 8985735d8cd42c899f6b3fbec1391089 [1,0,0,0,0,1|2,0,0]=4 8465 B11R0.147 CCCCN(C)CCNC(=O)N 6e57adea16c5f88c9b968f75df8f704b [1,0,0,0,0,1|2,0,0]=4 8466 B11R0.147 CCCCN(C)CCOC(=O)C 714223575f85b8f8990d992ef459625f [1,0,0,0,0,1|2,0,0]=4 8467 B11R0.147 CCCCN(C)CCSC(=O)C 07b8f687006e717691584254362b8553 [1,0,0,0,0,1|2,0,0]=4 8468 B11R0.147 CCCC[C@@H](C)NCCC(=O)C 3e4c3a2c28f0952148627b465ed49444 [1,0,0,0,0,1|1,0,0]=3 8469 B11R0.147 CCCC[C@@H](C)NCCC(=O)N 382fc32873833cfb372f737620bc6e46 [1,0,0,0,0,1|1,0,0]=3 8470 B11R0.147 CCCC[C@@H](C)NCCC(=O)O b6fdd76e08178d66c6878d9a951d46a6 [1,0,0,0,0,1|0,0,0]=2 8471 B11R0.147 CCCC[C@@H](C)NCCC(C)O ae2f72547e0b03abd5bd9d3d09840961 [1,0,0,0,0,1|1,0,1]=4 8472 B11R0.147 CCCC[C@@H](C)NCCS(=O)C abbe8d6fbc43c32d4cf1a7740675fa03 [1,0,0,0,0,1|2,0,0]=4 8473 B11R0.147 CCCC[C@@H](C)NCOC(=O)C 938fb5bed858bb933b87ccf5ebb2ef2d [1,0,0,0,0,1|2,0,0]=4 8474 B11R0.147 CCCC[C@@H](C)NCSC(=O)N 78fd3228785543ce4bd309cad4d036ce [1,0,0,0,0,1|2,0,0]=4 8475 B11R0.147 CCCC[C@@H](C)OCCC(=O)C 8b14055ccd1479780072337616d0a089 [1,0,0,0,0,1|1,0,0]=3 8476 B11R0.147 CCCC[C@@H](C)OCCC(=O)N 5c6d7a40bb14456849afe49dc50b1f66 [1,0,0,0,0,1|1,0,0]=3 8477 B11R0.147 CCCC[C@@H](C)OCCS(=O)C 1569f4a8517a0020bc2f28f70216145b [1,0,0,0,0,1|2,0,0]=4 8478 B11R0.147 CCCC[C@@H](C)OCOC(=O)C 45360ae62bb947f18e1ba611bc1d94f3 [1,0,0,0,0,1|2,0,0]=4 8479 B11R0.147 CCCC[C@@H](C)OCSC(=O)N e86c8322888cee2afd407ec804655e99 [1,0,0,0,0,1|2,0,0]=4 8480 B11R0.147 CCCC[C@H](C)OCCC(=O)C 1870b86809036ac20fc9a5cf943b11ce [1,0,0,0,0,1|1,0,0]=3 8481 B11R0.147 CCCC[C@H](C)OCCC(=O)N 962eee950358e00235cebb697af38cfc [1,0,0,0,0,1|1,0,0]=3 8482 B11R0.147 CCCC[C@H](C)OCCS(=O)C 3d5ad9fd159224bc8b03ebdf908a00c5 [1,0,0,0,0,1|2,0,0]=4 8483 B11R0.147 CCCC[C@H](C)OCOC(=O)C 5d53659ac5a06022d4172787f1e9b842 [1,0,0,0,0,1|2,0,0]=4 8484 B11R0.147 CCCC[C@H](C)OCSC(=O)N 9e4b9c52f4ad001999a460ff25919a74 [1,0,0,0,0,1|2,0,0]=4 8485 B11R0.147 CCOCC(C)COCC(=O)N 27de9a17135cdb0122eda86bc6f3c466 [1,0,0,0,0,1|2,0,0]=4 8486 B11R0.147 CCOCC(C)COCC(=O)O 1860f499eedd358b2cf3ff06452df843 [1,0,0,0,0,1|1,0,0]=3 8487 B11R0.147 CCOCC(C)OCCC(=O)C d8ba14d388a60dc6c32b84b65522ba98 [1,0,0,0,0,1|2,0,0]=4 8488 B11R0.147 CCOCC(C)OCCC(=O)N 19cfc68b6beda7551ca48002172c774d [1,0,0,0,0,1|2,0,0]=4 8489 B11R0.147 CCOCC(C)OCCC(=O)O 23fb76fb6f1d42ad22e9f31fb991ae25 [1,0,0,0,0,1|1,0,0]=3 8490 B11R0.147 CCOCC(O)CNCC(=O)O 612508c3ec489602335763d22880faab [1,0,0,0,0,1|2,0,0]=4 8491 B11R0.147 CCOCN(C)CCCC(=O)O 432497fae05909ebec99c176eca0e18c [1,0,0,0,0,1|2,0,0]=4 8492 B11R0.147 CN(CCCF)CCCC(=O)O 7847e8daa408c57a846702c31809d4ce [1,0,0,0,0,1|2,0,0]=4 8493 B11R0.147 CN(CCCO)CCCC(=O)O 5943ca1e540c5e55779b3ddbe6e0cecd [1,0,0,0,0,1|2,0,0]=4 8494 B11R0.147 CN(CCCS)CCCC(=O)O 7ae1a8afe0cc8572683c4290214feb77 [1,0,0,0,0,1|2,0,0]=4 8495 B11R0.147 COCCC(C)OCCC(=O)C 7765a67a47dc2ce162d9f23399c3d6a5 [1,0,0,0,0,1|2,0,0]=4 8496 B11R0.147 COCCC(C)OCCC(=O)N 915453c3f66c90ce61bfc355f441599f [1,0,0,0,0,1|2,0,0]=4 8497 B11R0.147 COCCC(C)OCCC(=O)O 5f1a4a68dc31488f5e97217537da23e3 [1,0,0,0,0,1|1,0,0]=3 8498 B11R0.147 COCCN(C)CCCC(=O)O 16873fc523c100821b9185b70f451e80 [1,0,0,0,0,1|2,0,0]=4 8499 B11R0.147 COCO[C@H](C)COCC(=O)O 566e62752d7febd890185f1f3cc2fe22 [1,0,0,0,0,1|2,0,0]=4 8500 B11R0.147 CSCCC(C)OCCC(=O)C cbaa8bf546d3b15568217916a3216bc4 [1,0,0,0,0,1|2,0,0]=4 8501 B11R0.147 CSCCC(C)OCCC(=O)N e17d187736420bf98739f840bde62bae [1,0,0,0,0,1|2,0,0]=4 8502 B11R0.147 CSCCN(C)CCCC(=O)O 7b4a665c8b89f94cbd680bd369471d99 [1,0,0,0,0,1|2,0,0]=4 8503 B11R0.147 C[C@H](CCCO)CNCC(=O)N 6bef60ed27a5b71d43f1cea2d32f162c [1,0,0,0,0,1|2,0,0]=4 8504 B11R0.147 C[C@H](CCCO)CNCC(=O)O 5a64b86a049ce0228ff2384ea32773b8 [1,0,0,0,0,1|1,0,0]=3 8505 B11R0.147 C[C@H](CCCO)NCCC(=O)N 38318391a77b101322ada15a5e0ff1c2 [1,0,0,0,0,1|2,0,0]=4 8506 B11R0.147 C[C@H](CCCO)NCCC(=O)O f39244f1439986cbae7056b6fb46fb5c [1,0,0,0,0,1|1,0,0]=3 8507 B13R0.300 C=C(Br)CCOCC(CC)CCCC b60b2c3fafa9617696444cf5ae113b22 [0,0,0,0,0,2|2,0,0]=4 8508 B13R0.300 C=C(Br)CCOC[C@H](CC)CCCC fa92b80ad2d42830d16427d9bca90d1a [0,0,0,0,0,2|2,0,0]=4 8509 B13R0.300 C=C(Br)COCCC(CC)CCCC c25971168bdc5669f7e2909cae5301ea [0,0,0,0,0,2|2,0,0]=4 8510 B13R0.300 C=C(C)CCCOC(CC)CCCC 5c7a4df3e52986dc9a125a606915b96b [0,0,0,0,0,2|2,0,0]=4 8511 B13R0.300 C=C(C)CCNCC(CC)CCCC b5cb0c85da588d205f4236af3b9c62fa [0,0,0,0,0,2|2,0,0]=4 8512 B13R0.300 C=C(C)CCNC[C@H](CC)CCCC 242e74d6f9d66ea6c7dd5a0aeab64743 [0,0,0,0,0,2|2,0,0]=4 8513 B13R0.300 C=C(C)CCOCC(CC)CCCC ff2dc185a88ca193735bc7210f53aae2 [0,0,0,0,0,2|2,0,0]=4 8514 B13R0.300 C=C(C)CCOC[C@H](CC)CCCC e54a95dd81d51a6ff30808d42f01aeb6 [0,0,0,0,0,2|2,0,0]=4 8515 B13R0.300 C=C(C)COCCC(CC)CCCC 1f032d3a2bc89271509209f2ecf29795 [0,0,0,0,0,2|2,0,0]=4 8516 B13R0.300 C=C(Cl)COCCC(CC)CCCC e15780031b1642978946ca4ff1351741 [0,0,0,0,0,2|2,0,0]=4 8517 B13R0.300 C=C(F)COCCC(CC)CCCC 2a8da6c9b68ef6127e035fc6adb9b1a1 [0,0,0,0,0,2|2,0,0]=4 8518 B13R0.300 CCC/C=C(\CC)/COCCC(=O)O 37a2651f209260f55902b6fb4a093e2e [0,0,0,0,0,2|0,0,2]=4 8519 B13R0.300 CCCCC(CC)CCOCC(=O)N 799e53397f0a137ba25647bff1999bf2 [0,0,0,0,0,2|1,0,0]=3 8520 B13R0.300 CCCCC(CC)CCOCC(=O)O 9b619576616c59840590523f5b70f714 [0,0,0,0,0,2|0,0,0]=2 8521 B13R0.300 CCCCC(CC)CCOC[N+](=O)[O-] 9ba20ba000848e3cf318d961a181e729 [0,0,0,0,0,2|1,0,1]=4 8522 B13R0.300 CCCCC(CC)CNC/C=C(/C)\I 41fccfc832e646c47df3c3c1e738d59a [0,0,0,0,0,2|2,0,0]=4 8523 B13R0.300 CCCCC(CC)CNC/C=C(\C)/Cl 5a476dad4d7a2363469594cd9909ff59 [0,0,0,0,0,2|2,0,0]=4 8524 B13R0.300 CCCCC(CC)CNCC=C(C)C d59cf31b8e0af12780ab61f5e31dfc82 [0,0,0,0,0,2|2,0,0]=4 8525 B13R0.300 CCCCC(CC)CNCC=C(C)Cl 67c190b5c4bbda8e9c2e5fb76d2e6283 [0,0,0,0,0,2|2,0,0]=4 8526 B13R0.300 CCCCC(CC)CNCC=C(C)I 3b00dd210f4557092518cfc115c3c21e [0,0,0,0,0,2|2,0,0]=4 8527 B13R0.300 CCCCC(CC)CNCC=C(Cl)Cl f3344fc6fd08c40fdac7a33f82c3913f [0,0,0,0,0,2|2,0,0]=4 8528 B13R0.300 CCCCC(CC)CNCCC(=O)C 88f89c4161d386cc2c231f2df2f93616 [0,0,0,0,0,2|1,0,0]=3 8529 B13R0.300 CCCCC(CC)CNCCC(=O)N fad82bca8434beeb9bef0d5d75b9f811 [0,0,0,0,0,2|1,0,0]=3 8530 B13R0.300 CCCCC(CC)CNCCC(=O)O 9757fc8d317d22be3c6bbe74fc517f9d [0,0,0,0,0,2|0,0,0]=2 8531 B13R0.300 CCCCC(CC)CNCCC(=S)N d6464a66fbab05305e59e672d259a344 [0,0,0,0,0,2|1,1,0]=4 8532 B13R0.300 CCCCC(CC)CNCCC(C)O 5d7a5a36121bed525775ed5f6c7ab9be [0,0,0,0,0,2|1,0,1]=4 8533 B13R0.300 CCCCC(CC)CNCCS(=O)C 1eb202f1fb153abd309a6af2966fd1d1 [0,0,0,0,0,2|2,0,0]=4 8534 B13R0.300 CCCCC(CC)CNCCS(=O)O 9f851418dacbc280cf27a21f96a14162 [0,0,0,0,0,2|1,0,0]=3 8535 B13R0.300 CCCCC(CC)CNCC[C@@H](C)O 1bea66d774d67545fb8f9c02c0ce128f [0,0,0,0,0,2|1,0,1]=4 8536 B13R0.300 CCCCC(CC)CNCC[C@H](C)O bc9b61c92b2c7d996f3b317d1ba44805 [0,0,0,0,0,2|1,0,1]=4 8537 B13R0.300 CCCCC(CC)CNCOC(=O)C 4251ba1695faead55a8cd50531e26ab5 [0,0,0,0,0,2|1,0,0]=3 8538 B13R0.300 CCCCC(CC)CNCSC(=O)N 59340ace76ada7112698cc1dd9dadc6d [0,0,0,0,0,2|1,0,0]=3 8539 B13R0.300 CCCCC(CC)COC/C=C(/C)\Cl a948940d424bb13870c0959f3bfd9538 [0,0,0,0,0,2|2,0,0]=4 8540 B13R0.300 CCCCC(CC)COC/C=C(/C)\I f0b5949ced98e9611a98e364cafd4b8d [0,0,0,0,0,2|2,0,0]=4 8541 B13R0.300 CCCCC(CC)COC/C=C(\C)/Cl afc68d01d8f28d0f8de9a67b23229bdb [0,0,0,0,0,2|2,0,0]=4 8542 B13R0.300 CCCCC(CC)COCC=C(C)C 9374e3d2950b8591bb69907194e29b1f [0,0,0,0,0,2|2,0,0]=4 8543 B13R0.300 CCCCC(CC)COCC=C(C)Cl 6947a8f57fabcee48aff92351663059d [0,0,0,0,0,2|2,0,0]=4 8544 B13R0.300 CCCCC(CC)COCC=C(C)I 1e13bafe46b4bbacf61748b295cfe64d [0,0,0,0,0,2|2,0,0]=4 8545 B13R0.300 CCCCC(CC)COCC=C(Cl)Cl a0255658947ad79fcdd0083999502500 [0,0,0,0,0,2|2,0,0]=4 8546 B13R0.300 CCCCC(CC)COCCC(=O)C 012001c43047fbdd0fe8c75d85e19480 [0,0,0,0,0,2|1,0,0]=3 8547 B13R0.300 CCCCC(CC)COCCC(=O)N 72f5be95b3167eb924b28871c977401e [0,0,0,0,0,2|1,0,0]=3 8548 B13R0.300 CCCCC(CC)COCCC(=O)O bb9caaa832d8d1621d8127944429c89d [0,0,0,0,0,2|0,0,0]=2 8549 B13R0.300 CCCCC(CC)COCCS(=O)C 2fe293aa5fb5a38af6335cf85b8a1cc6 [0,0,0,0,0,2|2,0,0]=4 8550 B13R0.300 CCCCC(CC)COCC[N+](=O)[O-] 414beb5881db3c7c8a4ae60009568990 [0,0,0,0,0,2|1,0,1]=4 8551 B13R0.300 CCCCC(CC)COCNC(=O)C 9a854f1e5a037de6d45eb01a8ec4542d [0,0,0,0,0,2|1,0,0]=3 8552 B13R0.300 CCCCC(CC)COCNC(=O)N 69338143d7b8f2a2db492dae8810fc3e [0,0,0,0,0,2|1,0,0]=3 8553 B13R0.300 CCCCC(CC)COCOC(=O)C b597bb67d918d297ff60ee9b39951c0e [0,0,0,0,0,2|1,0,0]=3 8554 B13R0.300 CCCCC(CC)COCSC(=O)N 26bf8e609a90b5de2c8a9972ff71e220 [0,0,0,0,0,2|1,0,0]=3 8555 B13R0.300 CCCCC(CC)NC/C=C/C(=O)O 7c8a103cdddbaf769a6a5c024b92e89d [0,0,0,0,0,2|0,0,1]=3 8556 B13R0.300 CCCCC(CC)NCC#CC(=O)N 1b7d57fd3914bb65b311902338538c5f [0,0,0,0,0,2|1,0,1]=4 8557 B13R0.300 CCCCC(CC)NCC#CC(=O)O 9007a1e45690a3ff8bccad178af24786 [0,0,0,0,0,2|0,0,1]=3 8558 B13R0.300 CCCCC(CC)NCC=CC(=O)O 3ea8ff85027819c7ff8c7df6fd2dd251 [0,0,0,0,0,2|0,0,1]=3 8559 B13R0.300 CCCCC(CC)NCCCC(=O)N 60988787464ed86b59c47e80075d4e03 [0,0,0,0,0,2|1,0,0]=3 8560 B13R0.300 CCCCC(CC)NCCNC(=O)C 2185cf78272fb6e26595814e445d2364 [0,0,0,0,0,2|1,0,0]=3 8561 B13R0.300 CCCCC(CC)NCCNC(=S)N f5a0f952e187fc803748588f4630e11b [0,0,0,0,0,2|1,1,0]=4 8562 B13R0.300 CCCCC(CC)OC/C=C/C(=O)O 433374d4430e1621974ab8b2013e2fad [0,0,0,0,0,2|0,0,1]=3 8563 B13R0.300 CCCCC(CC)OCC=CC(=O)O a9001d57647949f5aba9a8cfff2b1120 [0,0,0,0,0,2|0,0,1]=3 8564 B13R0.300 CCCCC(CC)OCCC=C(C)C e670c60370a863642e0ca61a0b49551a [0,0,0,0,0,2|2,0,0]=4 8565 B13R0.300 CCCCC(CC)OCCC=C(F)F b30af53e797de90b7e27e77437290715 [0,0,0,0,0,2|2,0,0]=4 8566 B13R0.300 CCCCC(CC)OCCCC(=O)C 39b24d3f0fa09300941eb7c9b8653df4 [0,0,0,0,0,2|1,0,0]=3 8567 B13R0.300 CCCCC(CC)OCCCC(=O)N dda48d3008652e91ca075937f1c07c96 [0,0,0,0,0,2|1,0,0]=3 8568 B13R0.300 CCCCC(CC)OCCC[N+](=O)[O-] cfb2f9456389f1b6cfdfb2e981c3bd90 [0,0,0,0,0,2|1,0,1]=4 8569 B13R0.300 CCCCC(CC)OCCNC(=O)C 02c6398c1cdc670a97e5b97494500ed4 [0,0,0,0,0,2|1,0,0]=3 8570 B13R0.300 CCCCC(CC)OCCNC(=O)N b1cc667284513cfa58ff5f59dfd2d86d [0,0,0,0,0,2|1,0,0]=3 8571 B13R0.300 CCCCC(CC)OCCNC(=S)N 2fae1f22c29c70e38cae8a9878cf4afd [0,0,0,0,0,2|1,1,0]=4 8572 B13R0.300 CCCCC(CC)OCCOC(=O)C c019650699867856710409d32abeeb1d [0,0,0,0,0,2|1,0,0]=3 8573 B13R0.300 CCCCC(CC)OCCSC(=O)C 34253e2e2c226a8232fda87f00e0b6c2 [0,0,0,0,0,2|1,0,0]=3 8574 B13R0.300 CCCCC(CO)NC/C=C/C(=O)O 6a358944468a8958e81375ac66632563 [0,0,0,0,0,2|1,0,1]=4 8575 B13R0.300 CCCCC(CO)NCC=CC(=O)O d2d6cde0ae2b6ab3c03c117e77279a8d [0,0,0,0,0,2|1,0,1]=4 8576 B13R0.300 CCCCC(CO)NCCCC(=O)C f4d687c3ff97eee46f673a25b8f2330e [0,0,0,0,0,2|2,0,0]=4 8577 B13R0.300 CCCCC(CO)NCCCC(=O)N 6c13587a5b8e170b8c22ae423a6e523e [0,0,0,0,0,2|2,0,0]=4 8578 B13R0.300 CCCCC(CO)NCCCC(=O)O e344a2c513ef2251cab72e0889c9495d [0,0,0,0,0,2|1,0,0]=3 8579 B13R0.300 CCCCC(CO)NCCNC(=O)C eef765c3d717e1a0998dd08a237ccd99 [0,0,0,0,0,2|2,0,0]=4 8580 B13R0.300 CCCCC(CO)NCCNC(=O)N d982b0c8d01ff593c2b0684ca783e7aa [0,0,0,0,0,2|2,0,0]=4 8581 B13R0.300 CCCCC(CO)NCCOC(=O)C 8ca07adf37d6c5e8fc541adddd6ba421 [0,0,0,0,0,2|2,0,0]=4 8582 B13R0.300 CCCCC(CO)NCCSC(=O)C dcb301db72e2fcfb06cdae26d87e4589 [0,0,0,0,0,2|2,0,0]=4 8583 B13R0.300 CCCCN(CC)CCCCC(=O)C a9fc25173da3bffff03be7532a9a7766 [0,0,0,0,0,2|2,0,0]=4 8584 B13R0.300 CCCCN(CC)CCCNC(=O)C bd79c908f8034c26f02429ad600bc8ab [0,0,0,0,0,2|2,0,0]=4 8585 B13R0.300 CCCCN(CC)CCCOC(=O)C a3e9d677a2164b41e2a033a817f26f83 [0,0,0,0,0,2|2,0,0]=4 8586 B13R0.300 CCCCN(CC)CCCSC(=O)C d7ed7d1aaca832fd27eb6e5f9a1e9252 [0,0,0,0,0,2|2,0,0]=4 8587 B13R0.300 CCCCN(CC)CCNCC(=O)N e0b861fde0c68d5c6b0a5c4f38efcea1 [0,0,0,0,0,2|2,0,0]=4 8588 B13R0.300 CCCCN(CC)CCNCC(=O)O 17a3b8fd79bde3042567d2b9a6b62352 [0,0,0,0,0,2|1,0,0]=3 8589 B13R0.300 CCCCN(CC)CCOCC(=O)N 83eff10d39e78901d24ef3cff1afbb9a [0,0,0,0,0,2|2,0,0]=4 8590 B13R0.300 CCCC[C@@H](CC)CNCC=C(C)C c55c8393ff8537d69bc2e561f9d46a72 [0,0,0,0,0,2|2,0,0]=4 8591 B13R0.300 CCCC[C@@H](CC)CNCCC(=O)N 59f859cbe7eb4584c6e742a1b3c8b510 [0,0,0,0,0,2|1,0,0]=3 8592 B13R0.300 CCCC[C@@H](CC)CNCCC(=O)O d9007c1c466fa36e2256b7630ae89e04 [0,0,0,0,0,2|0,0,0]=2 8593 B13R0.300 CCCC[C@@H](CC)CNCCC(=S)N b1eeb5098fdcf3c0e12960f6f58add28 [0,0,0,0,0,2|1,1,0]=4 8594 B13R0.300 CCCC[C@@H](CC)CNCCC(C)O 45420206810934ca4a893d4526344fe3 [0,0,0,0,0,2|1,0,1]=4 8595 B13R0.300 CCCC[C@@H](CC)CNCCS(=O)C 9e2c85e265af002902743fffdfa81d17 [0,0,0,0,0,2|2,0,0]=4 8596 B13R0.300 CCCC[C@@H](CC)CNCCS(=O)O b34c8f40ec841018233d59aee43b047f [0,0,0,0,0,2|1,0,0]=3 8597 B13R0.300 CCCC[C@@H](CC)CNCC[C@@H](C)O 3087c9530499557a442593b63cf8dc70 [0,0,0,0,0,2|1,0,1]=4 8598 B13R0.300 CCCC[C@@H](CC)CNCC[C@H](C)O ac8d84da140768ae2e0b5ef7e2234bac [0,0,0,0,0,2|1,0,1]=4 8599 B13R0.300 CCCC[C@@H](CC)COC/C=C(/C)\Cl 2094e34bdcf124619a6c1c18131747d2 [0,0,0,0,0,2|2,0,0]=4 8600 B13R0.300 CCCC[C@@H](CC)COC/C=C(/C)\I 0155062ee7346f1ddd973cbbec08618a [0,0,0,0,0,2|2,0,0]=4 8601 B13R0.300 CCCC[C@@H](CC)COCC=C(C)C a88d45c3a7dcce2966c39070b6645d92 [0,0,0,0,0,2|2,0,0]=4 8602 B13R0.300 CCCC[C@@H](CC)COCC=C(C)I 6276f186fda16765cceba6b256cba6d0 [0,0,0,0,0,2|2,0,0]=4 8603 B13R0.300 CCCC[C@@H](CC)COCC=C(Cl)Cl c252d18b35f5ba4eede184dba8c86986 [0,0,0,0,0,2|2,0,0]=4 8604 B13R0.300 CCCC[C@@H](CC)COCCC(=O)C 81fd939b24f4e719856bdb8c2a013fe4 [0,0,0,0,0,2|1,0,0]=3 8605 B13R0.300 CCCC[C@@H](CC)COCCC(=O)N b656adf916d79d1bf48bfc9cc6861c19 [0,0,0,0,0,2|1,0,0]=3 8606 B13R0.300 CCCC[C@@H](CC)COCCC(=O)O 084cdea4e503e762087ed884a5b2c8ba [0,0,0,0,0,2|0,0,0]=2 8607 B13R0.300 CCCC[C@@H](CC)COCCS(=O)C c1db83a1b21577e068c2d3c1466b2b09 [0,0,0,0,0,2|2,0,0]=4 8608 B13R0.300 CCCC[C@@H](CC)COCC[N+](=O)[O-] ed939d8ddedd405733990477c760979a [0,0,0,0,0,2|1,0,1]=4 8609 B13R0.300 CCCC[C@@H](CC)COCNC(=O)C 186c5e1541def9ab3b660be7d8269537 [0,0,0,0,0,2|1,0,0]=3 8610 B13R0.300 CCCC[C@@H](CC)COCNC(=O)N 21c005808f564c44070f507904fd85f3 [0,0,0,0,0,2|1,0,0]=3 8611 B13R0.300 CCCC[C@@H](CO)NC/C=C/C(=O)O b4029a45dc7ca4e25b1bf5282dae4d8a [0,0,0,0,0,2|1,0,1]=4 8612 B13R0.300 CCCC[C@@H](CO)NCC=CC(=O)O 8d366eede47f068383c8e29714ab0c67 [0,0,0,0,0,2|1,0,1]=4 8613 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)C db23b45fe3da156a0ae694ca32b9547b [0,0,0,0,0,2|2,0,0]=4 8614 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)N 1bfae4e071f257397ca0009e730693e3 [0,0,0,0,0,2|2,0,0]=4 8615 B13R0.300 CCCC[C@@H](CO)NCCCC(=O)O 7770e9693ced55052973e8cb9927a1ba [0,0,0,0,0,2|1,0,0]=3 8616 B13R0.300 CCCC[C@@H](CO)NCCNC(=O)C 5fc09086b0f412718bcf86166373b745 [0,0,0,0,0,2|2,0,0]=4 8617 B13R0.300 CCCC[C@@H](CO)NCCNC(=O)N 38279f0d00afd0057faac3e74b27f34d [0,0,0,0,0,2|2,0,0]=4 8618 B13R0.300 CCCC[C@@H](CO)NCCOC(=O)C 98580dd75b4b3be4e6991a1e793fe03d [0,0,0,0,0,2|2,0,0]=4 8619 B13R0.300 CCCC[C@@H](CO)NCCSC(=O)C 1bd75ed6966c2122822d4d9038e3db1f [0,0,0,0,0,2|2,0,0]=4 8620 B13R0.300 CCCC[C@H](CO)NC/C=C/C(=O)O 06094df322e15a9273e8dd78e381d3dc [0,0,0,0,0,2|1,0,1]=4 8621 B13R0.300 CCCC[C@H](CO)NCC=CC(=O)O 769b1d546e1dabca002d27c6980546dc [0,0,0,0,0,2|1,0,1]=4 8622 B13R0.300 CCCC[C@H](CO)NCCCC(=O)C 6c8725ea4947acb6852fb77a0aa59d23 [0,0,0,0,0,2|2,0,0]=4 8623 B13R0.300 CCCC[C@H](CO)NCCCC(=O)N f62b43a32b80a5a645295504b83bb1e4 [0,0,0,0,0,2|2,0,0]=4 8624 B13R0.300 CCCC[C@H](CO)NCCCC(=O)O d2b22b43b297b9d9072934a23f5fb70a [0,0,0,0,0,2|1,0,0]=3 8625 B13R0.300 CCCC[C@H](CO)NCCNC(=O)C 8458cdbe608ec24df9684178e5f4fa02 [0,0,0,0,0,2|2,0,0]=4 8626 B13R0.300 CCCC[C@H](CO)NCCNC(=O)N dc57ca5f8931683664a394515bbe8bb3 [0,0,0,0,0,2|2,0,0]=4 8627 B13R0.300 CCCC[C@H](CO)NCCOC(=O)C 5cfff08693aff8e63f787de6307dff9a [0,0,0,0,0,2|2,0,0]=4 8628 B13R0.300 CCCC[C@H](CO)NCCSC(=O)C 71e2396316ea43c64a6401996ce11ba0 [0,0,0,0,0,2|2,0,0]=4 8629 B13R0.300 CSCCC(CO)CNCCC(=O)O 1dc2a06da91aa2176d44d076499147e4 [0,0,0,0,0,2|2,0,0]=4 8630 B13R0.300 CSCCC(CO)NCCCC(=O)O 55ccf5d607a4aa65c9a03c90a6fc4f00 [0,0,0,0,0,2|2,0,0]=4 8631 B13R0.300 CSCC[C@@H](CO)NCCCC(=O)O 80437f752eae944a028fff3842aa72d2 [0,0,0,0,0,2|2,0,0]=4 8632 B13R0.300 CSCC[C@H](CO)NCCCC(=O)O 2be8bec794714a363735fd975adab0ff [0,0,0,0,0,2|2,0,0]=4 8633 B13R0.300 O=C(O)CCCNC(CO)CCCO 8fde98cb507f7700624fd31337b4cb38 [0,0,0,0,0,2|2,0,0]=4