0 B7R0.6 C=C(Br)CNC(C)C c11e07a13ecc707bc58321e025560b63 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.6 C=C(Br)COC(C)C 85740d76b7c2437207f473c522fb5652 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [0,0,0,0,0,0|3,0,1]=4 3 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [0,0,0,0,0,0|3,0,1]=4 4 B7R0.6 C=C(Cl)COC(C)C 83e9098a63a39f58f2f10cb0166f135d [0,0,0,0,0,0|3,0,1]=4 5 B7R0.6 C=C(I)COC(C)C 638d63b8c7c0ebdc1a903379afb5a44c [0,0,0,0,0,0|3,0,1]=4 6 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,0,0,0,0,0|3,0,1]=4 11 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,0,0,0,0,0|2,0,1]=3 13 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,0,0,0,0,0|1,0,1]=2 14 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,0,0,0,0,0|2,0,2]=4 15 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,0,0,0,0,0|2,0,2]=4 16 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,0,0,0,0,0|2,0,1]=3 17 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,0,0,0,0,0|1,0,1]=2 18 B7R0.6 CC(C)OCC(=S)N 1cbdee4d5c3385daad7ba959afed69ee [0,0,0,0,0,0|2,1,1]=4 19 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,0,0,0,0,0|2,0,1]=3 20 B7R0.6 CC(C)OC[N+](=O)[O-] a09a83c915051312c8a631b9d400a750 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CC(C)CNCO c3b5fde83cdd81c2f0ea167064fd2c5c [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,0,0,0,0,0|1,0,2]=4 26 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,0,0,0,0|1,0,1]=3 27 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|1,0,1]=3 32 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|2,0,1]=4 36 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|2,0,1]=4 40 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.9 C#CC(=O)NCC(C)C 1b59405d1466ebf3ed688b4fa128ca83 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.9 C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,1,0,0,0,0|1,0,2]=4 44 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,1,0,0,0,0|1,0,2]=4 45 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,1,0,0,0,0|1,0,2]=4 46 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.9 C=C(C=O)OCC(C)C c5cdf695798fe36105735778dae3c7a0 [0,1,0,0,0,0|2,0,1]=4 49 B8R0.9 C=C(COC(C)C)OC 96f850636a0fcded9cc7f40aac2f05a4 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,1,0,0,0,0|2,0,1]=4 51 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,1,0,0,0,0|1,0,2]=4 54 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,1,0,0,0,0|2,0,1]=4 56 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,1,0,0,0,0|2,0,1]=4 58 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,1,0,0,0,0|1,0,2]=4 60 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,1,0,0,0,0|2,0,1]=4 62 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,0,0,0,0|1,0,1]=3 63 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,1,0,0,0,0|1,1,1]=4 64 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,1,0,0,0,0|1,0,1]=3 65 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,1,0,0,0,0|2,0,1]=4 68 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,1,0,0,0,0|1,0,1]=3 69 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,1,0,0,0,0|1,0,1]=3 71 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,1,0,0,0,0|2,0,1]=4 72 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,1,0,0,0,0|1,0,1]=3 73 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,1,0,0,0,0|2,0,1]=4 75 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,1,0,0,0,0|2,0,1]=4 77 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,1,0,0,0,0|2,0,1]=4 78 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,1,0,0,0,0|2,0,1]=4 79 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,1,0,0,0,0|1,0,1]=3 83 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,1,0,0,0,0|1,0,2]=4 85 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,1,0,0,0,0|1,0,1]=3 87 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,1,0,0,0,0|1,0,1]=3 89 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,1,0,0,0,0|2,0,1]=4 90 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,1,0,0,0,0|2,0,1]=4 93 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,1,0,0,0,0|1,0,1]=3 94 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,1,0,0,0,0|1,0,2]=4 96 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,1,0,0,0,0|2,0,1]=4 98 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,0,0,0,0|1,0,1]=3 99 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,0,0,0,0|1,0,1]=3 100 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,1,0,0,0,0|2,0,1]=4 101 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,1,0,0,0,0|2,0,1]=4 102 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,1,0,0,0,0|2,0,1]=4 103 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,1,0,0,0,0|1,0,1]=3 104 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,1,0,0,0,0|1,0,2]=4 106 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,1,0,0,0,0|1,0,1]=3 109 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,1,0,0,0,0|1,0,1]=3 111 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.23 CC(=O)N(C)CC(C)C 89cec52088ed29050ddede06aaad4a16 [0,1,0,0,0,0|2,0,1]=4 114 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,0,0,0,0|2,0,1]=4 115 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.23 CC(C)N(C)CC(=O)N 40fedc251db3e73f4c6c403ff754fd20 [0,1,0,0,0,0|2,0,1]=4 118 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,1,0,0,0,0|1,0,1]=3 119 B8R0.23 CC(C)NC(C)C(=O)N a5bc7ca7b26f70e25af65a6a1a9f3a6a [0,1,0,0,0,0|2,0,1]=4 120 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.23 CC(C)N[C@@H](C)C(=O)N 5f6838b5769e3be13957b346a9b1c5a9 [0,1,0,0,0,0|2,0,1]=4 123 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,1,0,0,0,0|1,0,1]=3 124 B8R0.23 CC(C)N[C@H](C)C(=O)N 218299f571bd8ab6e55ebde7f90f3dc6 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,1,0,0,0,0|1,0,1]=3 126 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,0,0,0,0|2,0,1]=4 127 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,0,0,0,0|1,0,1]=3 128 B8R0.23 CC(C)OC(F)C(=O)N 4e500a655b0251a68623c9a9bac567cd [0,1,0,0,0,0|2,0,1]=4 129 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,0,0,0,0|2,0,1]=4 132 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,1,0,0,0,0|2,0,1]=4 134 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.29 CC(C)(C)NCC(=O)N bc7ea50a25eec83821fcbddcdcab7596 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,1,0,0,0,0|1,0,1]=3 137 B8R0.29 CC(C)NCS(=O)(=O)O 8264390a638eb5c172e1c9c505e3993b [0,1,0,0,0,0|2,0,1]=4 138 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,0,0,1,0,0|2,0,1]=4 144 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,0,0,1,0,0|1,0,1]=3 145 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,0,0,1,0,0|1,0,1]=3 146 B8R1.35 O=S(O)COC1CC1 85bbc60ec3a8ee46735b8745b51b860d [0,0,0,1,0,0|2,0,1]=4 147 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,0,0,1,0,0|2,0,1]=4 148 B8R0.28 C/C(=C/COC(C)C)/Cl 7fe9c64c45a9d920627e606e5c16e8c0 [0,0,0,0,0,1|2,0,1]=4 149 B8R0.28 C/C(=C/COC(C)C)/I bf083f5e2b495d1222df4302aafc9da1 [0,0,0,0,0,1|2,0,1]=4 150 B8R0.28 C/C(=C\COC(C)C)/Cl 3d631fcefff4d6e9b8b38f0d9e660ac1 [0,0,0,0,0,1|2,0,1]=4 151 B8R0.28 CC(=CCNC(C)C)C 4bc1ccab37d407a99a9990c7578b5199 [0,0,0,0,0,1|2,0,1]=4 152 B8R0.28 CC(=CCOC(C)C)C e629491c9d8565cece6e7fc625997c17 [0,0,0,0,0,1|2,0,1]=4 153 B8R0.28 CC(=CCOC(C)C)Cl a39ef05b023be2dade9da17dfad18eaf [0,0,0,0,0,1|2,0,1]=4 154 B8R0.28 CC(=CCOC(C)C)I 01c05b5dfce2ec79ecfc68549232c0d8 [0,0,0,0,0,1|2,0,1]=4 155 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,0,0,0,0,1|1,0,2]=4 156 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,0,0,0,0,1|1,0,2]=4 157 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,0,0,0,0,1|1,0,2]=4 158 B8R0.28 CC(=O)NCC=C(C)C 7c7868b44759d01e31a9aacecfcd8b3c [0,0,0,0,0,1|1,0,2]=4 159 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,0,0,0,0,1|1,0,2]=4 160 B8R0.28 CC(=O)NCOC(C)C 05afe8e43df805f9cf6a2136caacdf0b [0,0,0,0,0,1|2,0,1]=4 161 B8R0.28 CC(=O)OCOC(C)C b15362469d0253806d0b351da68c3f40 [0,0,0,0,0,1|2,0,1]=4 162 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,0,0,0,0,1|1,0,2]=4 163 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,0,0,0,0,1|0,0,2]=3 164 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,0,0,0,0,1|1,0,2]=4 165 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,0,0,0,0,1|0,0,2]=3 166 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,0,0,0,0,1|1,0,2]=4 167 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,0,0,0,0,1|1,0,2]=4 168 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,0,0,0,0,1|0,0,2]=3 169 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,0,0,0,0,1|1,0,2]=4 170 B8R0.28 CC(C)OCC=C(Cl)Cl 3977695a98ea503580f0c7a3779b47e7 [0,0,0,0,0,1|2,0,1]=4 171 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,0,0,0,0,1|1,0,2]=4 172 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,0,0,0,0,1|0,0,2]=3 173 B8R0.28 CC(C)OCNC(=O)N 225bdba254c9e931f9fcb99b6f0644ed [0,0,0,0,0,1|2,0,1]=4 174 B8R0.28 CC(C)OCSC(=O)N 456704dc0d4b427a59e70e240701dde0 [0,0,0,0,0,1|2,0,1]=4 175 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,0,0,0,0,1|1,0,2]=4 176 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,0,0,0,0,1|1,0,2]=4 177 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,0,0,0,0,1|1,0,2]=4 178 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,0,0,0,0,1|1,0,2]=4 179 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,0,0,0,0,1|1,0,2]=4 180 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,0,0,0,0,1|1,0,2]=4 181 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,0,0,0,0,1|1,0,2]=4 182 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,0,0,0,0,1|1,0,2]=4 183 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,0,0,0,0,1|1,0,2]=4 184 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,1]=4 185 B7R0.2 C=C(C=O)OC(C)C 1024bdfd369573a0f4c5c31da01d34c1 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [1,1,0,0,0,0|1,0,1]=4 189 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [1,1,0,0,0,0|1,0,1]=4 190 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [1,1,0,0,0,0|1,0,1]=4 192 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [1,1,0,0,0,0|1,0,1]=4 193 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [1,1,0,0,0,0|1,0,1]=4 194 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [1,1,0,0,0,0|1,0,1]=4 195 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [1,1,0,0,0,0|1,0,1]=4 196 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [1,1,0,0,0,0|1,0,1]=4 197 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|1,0,1]=4 198 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [1,1,0,0,0,0|1,0,1]=4 199 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [1,1,0,0,0,0|1,0,1]=4 200 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [1,1,0,0,0,0|1,0,1]=4 201 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [1,1,0,0,0,0|1,0,1]=4 204 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [1,1,0,0,0,0|1,0,1]=4 205 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [1,1,0,0,0,0|1,0,1]=4 207 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [1,1,0,0,0,0|1,0,1]=4 208 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [1,1,0,0,0,0|1,0,1]=4 211 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [1,1,0,0,0,0|1,0,1]=4 212 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.4 C/C=C/COC(C)C 9aa0010d7f93a3506d4a773cf3ec644e [1,1,0,0,0,0|1,0,1]=4 214 B7R0.4 C/C=C\COC(C)C 0fabad7d11b4d0a5e5a55e0264bdae1c [1,1,0,0,0,0|1,0,1]=4 215 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [1,1,0,0,0,0|0,0,2]=4 216 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [1,1,0,0,0,0|0,0,2]=4 217 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [1,1,0,0,0,0|0,0,2]=4 218 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [1,1,0,0,0,0|0,0,2]=4 219 B7R0.4 CC(C)OC/C=C/Cl 91491ffbe45b122c593493ce1ec28e21 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.4 CC(C)OC/C=C\Cl 1e6b64e528b3b312db8e7f5d9f5e401f [1,1,0,0,0,0|1,0,1]=4 221 B7R0.4 CC(C)OCC=CCl 05c2ee32f696ac6fe468daf78fa733c3 [1,1,0,0,0,0|1,0,1]=4 222 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [1,1,0,0,0,0|0,0,2]=4 223 B7R0.4 CC=CCNC(C)C fbbab91c5c0fa912c14bc0d774686380 [1,1,0,0,0,0|1,0,1]=4 224 B7R0.4 CC=CCOC(C)C 1ffcebdd116c02bae4b2efc3a6b36695 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|0,0,2]=4 226 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|0,0,2]=4 227 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|0,0,2]=4 228 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|0,0,2]=4 229 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,1,0,0,0,0|1,0,1]=4 230 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,1,0,0,0,0|1,0,1]=4 232 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|1,0,1]=4 233 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,1,0,0,0,0|1,0,1]=4 234 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,1,0,0,0,0|1,0,1]=4 235 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,1,0,0,0,0|1,0,1]=4 236 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,1,0,0,0,0|1,0,1]=4 237 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,1,0,0,0,0|1,0,1]=4 238 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|1,0,1]=4 239 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|1,0,1]=4 240 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [1,1,0,0,0,0|1,0,1]=4 241 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [1,1,0,0,0,0|1,0,1]=4 242 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [1,1,0,0,0,0|1,0,1]=4 243 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [1,1,0,0,0,0|1,0,1]=4 244 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [1,1,0,0,0,0|1,0,1]=4 246 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [1,1,0,0,0,0|1,0,1]=4 247 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [1,1,0,0,0,0|1,0,1]=4 249 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [1,1,0,0,0,0|1,0,1]=4 250 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.8 CC(C)(C)CNC=O 62263fecd6dfd3bbe3846c082198510b [1,1,0,0,0,0|1,0,1]=4 252 B7R0.8 CC(C)(C)NCC=O 84f91e0185bc7a8cbf173006cc00a31e [1,1,0,0,0,0|1,0,1]=4 253 B7R0.8 CC(C)(O)CNC=O 342a9b6d29541cfeadb382656f3815a5 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,1,0,0,1,0|2,0,0]=4 255 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,1,0,0,1,0|2,0,0]=4 256 B9R0.1 CC(=CCNC(=O)CO)C 99de69a27f56e0717a5c36bd796a7f00 [0,1,0,0,0,1|0,0,2]=4 257 B9R0.1 CC(C)CCNC(=O)CO fccf2f1416923531307bedc30f22484d [0,1,0,0,0,1|0,0,2]=4 258 B9R0.1 CC(C)CNCC(=O)CO ee418b1e31d09b89331f9ca774457c43 [0,1,0,0,0,1|0,0,2]=4 259 B9R0.1 CC(C)CNCC(=O)NO 135c365afbac52555b37c8c2533721ab [0,1,0,0,0,1|0,0,2]=4 260 B9R0.1 CC(C)NCCC(=O)NO 82d2f393212433db94ed45a332a78d9e [0,1,0,0,0,1|0,0,2]=4 261 B9R0.1 CC(CF)OCCC(=O)O e6767e000962bf0da8753ce7298bf1cf [0,1,0,0,0,1|0,0,2]=4 262 B9R0.1 CC(CO)CNCC(=O)O 545002bd59f1a831ceb97793e95beb08 [0,1,0,0,0,1|0,0,2]=4 263 B9R0.1 CC(CO)NCCC(=O)O 7af196631507732ccee08e53dff47c19 [0,1,0,0,0,1|0,0,2]=4 264 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,1,0,0,0,1|0,0,2]=4 265 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [0,1,0,0,0,1|0,0,2]=4 266 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [0,1,0,0,0,1|0,0,2]=4 267 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [0,1,0,0,0,1|0,0,2]=4 268 B9R0.1 CCN(C)C/C=C/C(=O)O c59393b71dfbf874e824ace25c6dde8a [0,1,0,0,0,1|1,0,0]=3 269 B9R0.1 CCN(C)CC=CC(=O)O 2b5cd669133f9500117e44a88402af2e [0,1,0,0,0,1|1,0,0]=3 270 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,1,0,0,0,1|0,0,2]=4 271 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [0,1,0,0,0,1|0,0,2]=4 272 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [0,1,0,0,0,1|0,0,2]=4 273 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [0,1,0,0,0,1|0,0,2]=4 274 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,1,0,0,0,1|0,0,2]=4 275 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [0,1,0,0,0,1|0,0,2]=4 276 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [0,1,0,0,0,1|0,0,2]=4 277 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [0,1,0,0,0,1|0,0,2]=4 278 B9R0.1 COC(=O)CCNC(C)C cca84c56a4f78d735d44ac567d8c7043 [0,1,0,0,0,1|0,0,2]=4 279 B9R0.1 COC(=O)CCOC(C)C 60b3b0e4ed197bd9b785527450b784a6 [0,1,0,0,0,1|0,0,2]=4 280 B9R0.1 COC(=O)CNCC(C)C f4529cfb679f9748b0c64270201236cc [0,1,0,0,0,1|0,0,2]=4 281 B9R0.1 COC(=O)COCC(C)C 4b1318611fb3f76585445eae1c414e70 [0,1,0,0,0,1|0,0,2]=4 282 B9R0.1 COC(=O)OCOC(C)C 251eb519e02d8d49a94916f622d830be [0,1,0,0,0,1|1,0,1]=4 283 B9R0.1 COC(C)CNCC(=O)O dbf8e5faee7152132e5d4bb3bd4e4843 [0,1,0,0,0,1|0,0,2]=4 284 B9R0.1 COC(C)COCC(=O)O 80e727ea49a776af207e2b913ddb7306 [0,1,0,0,0,1|0,0,2]=4 285 B9R0.1 CO[C@@H](C)CNCC(=O)O 65dd78747dc8a0d82266cff86cc9f8ee [0,1,0,0,0,1|0,0,2]=4 286 B9R0.1 CO[C@@H](C)COCC(=O)O a1f6e6081969a90d511bdcf1d36c7fb3 [0,1,0,0,0,1|0,0,2]=4 287 B9R0.1 CO[C@H](C)CNCC(=O)O 84e5827c180a6cfe438de358774cfb15 [0,1,0,0,0,1|0,0,2]=4 288 B9R0.1 CO[C@H](C)COCC(=O)O 1bc7d85404b0152996a2e6730e1ced0b [0,1,0,0,0,1|0,0,2]=4 289 B9R0.1 C[C@@H](CO)CNCC(=O)O f57e9d31ced751b25fdd665565e647c4 [0,1,0,0,0,1|0,0,2]=4 290 B9R0.1 C[C@@H](CO)NCCC(=O)O b5ac644d36a232bdd1950d74e0718263 [0,1,0,0,0,1|0,0,2]=4 291 B9R0.1 C[C@H](CO)CNCC(=O)O ce3fe074090d41b3d881458baf420cde [0,1,0,0,0,1|0,0,2]=4 292 B9R0.1 C[C@H](CO)NCCC(=O)O a31ff9e016b023eff4f0af52b348f8ec [0,1,0,0,0,1|0,0,2]=4 293 B9R0.7 C=C(COC(C)C)C(=O)O 08af2dc39e62b65e4314b95084281cb8 [0,1,0,0,0,1|0,0,1]=3 294 B9R0.7 CC(=O)C(=O)COC(C)C 54d4688b93c903c69f0b1be1e953d6a6 [0,1,0,0,0,1|1,0,1]=4 295 B9R0.7 CC(=O)C(=O)NCC(C)C b29618f1c8ca27f367008990e8e5a8b7 [0,1,0,0,0,1|1,0,1]=4 296 B9R0.7 CC(C)C(C)NCC(=O)O 91d49b00bc2f98925645db40aaffec23 [0,1,0,0,0,1|0,0,2]=4 297 B9R0.7 CC(C)C(C)OCC(=O)O 5453f2b0fdd958a9ddf47053a2bbc46a [0,1,0,0,0,1|0,0,2]=4 298 B9R0.7 CC(C)CNC(=O)C(=O)N 467548fd3f656b830c1aa75fc9c4fe09 [0,1,0,0,0,1|1,0,1]=4 299 B9R0.7 CC(C)CNC(C)C(=O)O 95f3f70da5c52d8fcff64d575b644cc6 [0,1,0,0,0,1|0,0,2]=4 300 B9R0.7 CC(C)CNC(F)C(=O)O 3711a9670c069b61c1c67d7849298242 [0,1,0,0,0,1|0,0,2]=4 301 B9R0.7 CC(C)CNC(O)C(=O)O 56c2775cf664a9536ae56c2e0f8fb5b9 [0,1,0,0,0,1|0,0,2]=4 302 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 8a76b9132fa71c37af073ea71f14d908 [0,1,0,0,0,1|0,0,2]=4 303 B9R0.7 CC(C)CN[C@@H](F)C(=O)O ce55718c38f59931fe6cf543c7b3ebcf [0,1,0,0,0,1|0,0,2]=4 304 B9R0.7 CC(C)CN[C@H](C)C(=O)O 3f45bea020626ccc8ec99438f12126a4 [0,1,0,0,0,1|0,0,2]=4 305 B9R0.7 CC(C)COC(C)C(=O)O 9c7c1c3df2d77d8f248ac9d91af8f53d [0,1,0,0,0,1|0,0,2]=4 306 B9R0.7 CC(C)CO[C@@H](C)C(=O)O fd5777f1e2b1dc60074ed75e7679298b [0,1,0,0,0,1|0,0,2]=4 307 B9R0.7 CC(C)CO[C@H](C)C(=O)O a69c599a7201e956cef10d92e6f06c1a [0,1,0,0,0,1|0,0,2]=4 308 B9R0.7 CC(C)N(C)CCC(=O)O 9a4c4fa3008269d113851da06265fa69 [0,1,0,0,0,1|0,0,2]=4 309 B9R0.7 CC(C)NCC(C)C(=O)O 48514b1b15d268c29686084b8a8d2d09 [0,1,0,0,0,1|0,0,2]=4 310 B9R0.7 CC(C)NCC(F)C(=O)O 861691fa5d69b6285a7fb70768f89e36 [0,1,0,0,0,1|0,0,2]=4 311 B9R0.7 CC(C)NCC(O)C(=O)O 3c07f41ba869fad28628ce0e0eb9eb4d [0,1,0,0,0,1|0,0,2]=4 312 B9R0.7 CC(C)NC[C@@H](C)C(=O)O eeb01880b97f7b36610e05c2883a075b [0,1,0,0,0,1|0,0,2]=4 313 B9R0.7 CC(C)NC[C@@H](O)C(=O)O eb6cf8a2e9cb3af443f150092edec970 [0,1,0,0,0,1|0,0,2]=4 314 B9R0.7 CC(C)NC[C@H](C)C(=O)O 5780cd753c39f96a6d86de7929d8156a [0,1,0,0,0,1|0,0,2]=4 315 B9R0.7 CC(C)NC[C@H](O)C(=O)O 84ab021a3398610ee2c835c2429ab0e4 [0,1,0,0,0,1|0,0,2]=4 316 B9R0.7 CC(C)OCC(C)C(=O)O c21654bda41cff34c31217652ae24bef [0,1,0,0,0,1|0,0,2]=4 317 B9R0.7 CC(C)OC[C@@H](C)C(=O)O 2e5187b7924c997fdbb6d21d5f5bf05b [0,1,0,0,0,1|0,0,2]=4 318 B9R0.7 CC(C)OC[C@H](C)C(=O)O ea6a1b5296e92549506a331182057b42 [0,1,0,0,0,1|0,0,2]=4 319 B9R0.7 CC(C)[C@@H](C)NCC(=O)O b819017e8dd0621ca989217241b6bdfb [0,1,0,0,0,1|0,0,2]=4 320 B9R0.7 CC(C)[C@@H](C)OCC(=O)O 2c14ad2eaa4565aa59675b4818dba2b0 [0,1,0,0,0,1|0,0,2]=4 321 B9R0.7 CC(C)[C@H](C)NCC(=O)O 8157acac1e55fcb782ad50d024aa8bbc [0,1,0,0,0,1|0,0,2]=4 322 B9R0.7 CC(C)[C@H](C)OCC(=O)O f61a165279ed49217ae1638fda607d49 [0,1,0,0,0,1|0,0,2]=4 323 B9R0.53 CC(C)CN(C)CC(=O)O 8c62f4b6b1fb144868fb4d2e68a9ef67 [0,1,0,0,0,1|0,0,2]=4 324 B9R0.53 CC(C)NC(C)CC(=O)O 3f158c2507a9d14e5e314adf36bf882d [0,1,0,0,0,1|0,0,2]=4 325 B9R0.53 CC(C)N[C@@H](C)CC(=O)O a9f55dfe91b2c83d047ae147d6dcde4a [0,1,0,0,0,1|0,0,2]=4 326 B9R0.53 CC(C)N[C@H](C)CC(=O)O be43bec59f1dc06e78d63a1757b9b9df [0,1,0,0,0,1|0,0,2]=4 327 B9R0.53 CC(C)OC(C)CC(=O)O acd7e8b77db52152b38441c0f09dd249 [0,1,0,0,0,1|0,0,2]=4 328 B9R0.53 CC(C)O[C@@H](C)CC(=O)O dc36387ca698e3189cbbcbaa8e6d5745 [0,1,0,0,0,1|0,0,2]=4 329 B9R0.53 CC(C)O[C@H](C)CC(=O)O f085fe61e3ea06f844e5841e23963683 [0,1,0,0,0,1|0,0,2]=4 330 B9R0.56 CC(C)(Br)COCC(=O)O f4b3dda029b687e1e93d6714516341ca [0,1,0,0,0,1|0,0,2]=4 331 B9R0.56 CC(C)(C)CNCC(=O)O 48484e77a3391febaff23cc27f83c632 [0,1,0,0,0,1|0,0,2]=4 332 B9R0.56 CC(C)(C)COCC(=O)O 6343d13d7538778e6be0ee5b157d3306 [0,1,0,0,0,1|0,0,2]=4 333 B9R0.56 CC(C)(C)NCCC(=O)O 843cfa476336bc74d5fb0cc3c9d1d480 [0,1,0,0,0,1|0,0,2]=4 334 B9R0.56 CC(C)(F)CNCC(=O)O f0045d40b935ce4307fdd8a98e27d771 [0,1,0,0,0,1|0,0,2]=4 335 B9R0.56 CC(C)(F)COCC(=O)O f930e32e97984ceb6661cffc664ed43d [0,1,0,0,0,1|0,0,2]=4 336 B9R0.56 CC(C)(O)CNCC(=O)O e151ab0ab3d97e396aa0fed6e804877e [0,1,0,0,0,1|0,0,2]=4 337 B9R0.56 CC(C)(O)COCC(=O)O 98a41e9da098f05b7aac50d16fcdacd9 [0,1,0,0,0,1|0,0,2]=4 338 B9R0.56 CC(C)(S)COCC(=O)O 179792a8f36e7a74693997e52ca1a93c [0,1,0,0,0,1|0,0,2]=4 339 B9R0.21 CC(C)(C)CNC(=O)CO 3914f1faee54cf1a390a082749da7ebf [0,2,0,0,0,0|1,0,1]=4 340 B9R0.21 CC(C)(C)NCC(=O)CO bd2920d44cbd48abf1be1ea18b7e8027 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.21 CC(C)(O)CNC(=O)CO 9b5cbf1ef1bb371c97021f3052a4069a [0,2,0,0,0,0|1,0,1]=4 342 B9R0.21 COC(=O)CNC(C)(C)C 46c32fde144901f82ab920e5e82a2fde [0,2,0,0,0,0|1,0,1]=4 343 B9R0.23 CC(C)CN(C)C(=O)CO 211184ee665e06a0d222560052a5ab53 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.23 CC(CO)N(C)CC(=O)O 9e070eef5f318fe46c235cf3ef744af9 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.23 CCC(C)N(C)CC(=O)O 75aef3e777568a148fc6457fb567c3e8 [0,2,0,0,0,0|1,0,1]=4 346 B9R0.23 COC(=O)C(C)OC(C)C a0a379023719ce693b1d023cd8b5033b [0,2,0,0,0,0|1,0,1]=4 347 B9R0.23 COC(=O)[C@@H](C)OC(C)C 00855389155a20f77742c699f5d3beaf [0,2,0,0,0,0|1,0,1]=4 348 B9R0.23 COC(=O)[C@H](C)OC(C)C e76a681e1150bbf690cc71533af4c7e6 [0,2,0,0,0,0|1,0,1]=4 349 B9R0.23 C[C@@H](CO)N(C)CC(=O)O 28f9fcefb5baf6112312a5544f0c6757 [0,2,0,0,0,0|1,0,1]=4 350 B9R0.23 C[C@H](CO)N(C)CC(=O)O 506d89a3b4907e205d467d9fb789b7c5 [0,2,0,0,0,0|1,0,1]=4 351 B9R0.24 CC(CO)CNC(=O)CO c433cb913c3f4a048671fb23e261810a [0,2,0,0,0,0|1,0,1]=4 352 B9R0.24 CC(CO)NCC(=O)CO c585403df2dd549fbed6db13dd1f46fc [0,2,0,0,0,0|1,0,1]=4 353 B9R0.24 CC(CO)NCC(=O)NO 4aeda96bb4fd1908b9129c8e3077b0d9 [0,2,0,0,0,0|1,0,1]=4 354 B9R0.24 CCC(C)CNC(=O)CO c83ed1127f884f4213e48db54a8973b6 [0,2,0,0,0,0|1,0,1]=4 355 B9R0.24 CCC(C)NCC(=O)CO 747086db77c014fda376410a8a49b40e [0,2,0,0,0,0|1,0,1]=4 356 B9R0.24 CCC(C)NCC(=O)NO 381df0511f7cfb53c95756cb7b77418d [0,2,0,0,0,0|1,0,1]=4 357 B9R0.24 CCC(C)NCC(=O)OC 59c2530d5471f061d4aa62b34152d7d0 [0,2,0,0,0,0|1,0,1]=4 358 B9R0.24 CCC(C)OCC(=O)OC 6aca864df4e41abf0022f5b67ba1eeb3 [0,2,0,0,0,0|1,0,1]=4 359 B9R0.24 CC[C@@H](C)NCC(=O)CO d8b4c8bcceaf1479e8e5170a427a4480 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.24 CC[C@@H](C)NCC(=O)OC 64edeba17979e2fe49241dd635a58ddb [0,2,0,0,0,0|1,0,1]=4 361 B9R0.24 CC[C@@H](C)OCC(=O)OC 3145e5d285e192d9dfaf26cd6f7644e4 [0,2,0,0,0,0|1,0,1]=4 362 B9R0.24 CC[C@H](C)CNC(=O)CO 71f236c0490b4515463a284ebbba7293 [0,2,0,0,0,0|1,0,1]=4 363 B9R0.24 CC[C@H](C)NCC(=O)CO e9206ac8cc3cd983500ccf78b1aa4921 [0,2,0,0,0,0|1,0,1]=4 364 B9R0.24 CC[C@H](C)NCC(=O)OC 98f1fcbe76f73cc49ef7ab910e9d424b [0,2,0,0,0,0|1,0,1]=4 365 B9R0.24 CC[C@H](C)OCC(=O)OC 86df6380b1146d2c264ca4f2009c7f20 [0,2,0,0,0,0|1,0,1]=4 366 B9R0.24 COC(=O)CNC(C)CO 77bfeb42b55f78705d2d10d16062fb5d [0,2,0,0,0,0|1,0,1]=4 367 B9R0.24 COC(=O)CN[C@@H](C)CO a8bf9a0ee8b1f8cec0f7a692c165f630 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.24 COC(=O)CN[C@H](C)CO 9b055f26dd8da05358a6f557b707100d [0,2,0,0,0,0|1,0,1]=4 369 B9R0.24 COC(=O)COC(C)CF ae8e20076061c42c64980b5fad7cae0e [0,2,0,0,0,0|1,0,1]=4 370 B9R0.24 COC(=O)COC(C)CS 9c5b6e99de02bc94886d5fea75f150a9 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.24 COC(=O)CO[C@H](C)CS 9763eb97166cb02d86ae0eeee7c72710 [0,2,0,0,0,0|1,0,1]=4 372 B9R0.24 CO[C@@H](C)CNC(=O)CO b95fa8c7148a81b6451cdc622cbb6140 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.24 CO[C@H](C)CNC(=O)CO 27142753b862c3bf94f22d3bf8c13f99 [0,2,0,0,0,0|1,0,1]=4 374 B9R0.24 C[C@@H](CO)NCC(=O)CO 3225b42a885f3ed6c68d39acb497e53e [0,2,0,0,0,0|1,0,1]=4 375 B9R0.24 C[C@@H](CO)NCC(=O)NO c3a18fba71dcb5aefd276e7d08a9ad65 [0,2,0,0,0,0|1,0,1]=4 376 B9R0.24 C[C@H](CO)CNC(=O)CO a5fe05048ffdec3dc3e750a075dbac29 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.24 C[C@H](CO)NCC(=O)CO b3f42dfe0dee068b7cc05a35951cfa2a [0,2,0,0,0,0|1,0,1]=4 378 B9R0.24 C[C@H](CO)NCC(=O)NO 12ef88be17cdd87cc51ff039fa32572a [0,2,0,0,0,0|1,0,1]=4 379 B9R0.42 C=C(CN(C)CC)C(=O)O ad8b230d9e37e71f54fd17d149f46463 [0,2,0,0,0,0|1,0,1]=4 380 B9R0.42 CC(=O)C(=O)NC(C)CO 5a5c39969f862d30f121c04111ebfa87 [0,2,0,0,0,0|2,0,0]=4 381 B9R0.42 CC(=O)C(=O)N[C@@H](C)CO 9569a2680f767015fde6d0b0539cf153 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.42 CC(=O)C(=O)N[C@H](C)CO b5213d0d1c49ac7c2edcbf8d16dee1e3 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.42 CC(C)C(C)NC(=O)CO c1043f6434bc1d3d0bc5754e10cd0451 [0,2,0,0,0,0|1,0,1]=4 384 B9R0.42 CC(C)N(C)CC(=O)CO 6595f8b0f8b51cb84971a2a59bde6152 [0,2,0,0,0,0|1,0,1]=4 385 B9R0.42 CC(C)[C@@H](C)NC(=O)CO 354c8b0d56e72fe713ba6b51ddc1f030 [0,2,0,0,0,0|1,0,1]=4 386 B9R0.42 CC(C)[C@H](C)NC(=O)CO ab4d9494d75ea5d155bf6ed03d9098ff [0,2,0,0,0,0|1,0,1]=4 387 B9R0.42 CC(CO)NC(=O)C(=O)N 981419116bd330c4ca6478c64604cdd8 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.42 CC(CO)NC(C)C(=O)O 1d595a98de4bcd09c95f2e6eaab4ebca [0,2,0,0,0,0|1,0,1]=4 389 B9R0.42 CC(CO)NC(O)C(=O)O 918998900809a39405ab8709d56cf855 [0,2,0,0,0,0|1,0,1]=4 390 B9R0.42 CC(CO)N[C@@H](C)C(=O)O 4dbd67747f4dcf229835960134b33163 [0,2,0,0,0,0|1,0,1]=4 391 B9R0.42 CC(CO)N[C@H](C)C(=O)O b65e3f60883c33c0f95b5c867e27b54d [0,2,0,0,0,0|1,0,1]=4 392 B9R0.42 CC(N[C@@H](C)CO)C(=O)O 1b6b9227ad3ecc5bcb8670c40fef950c [0,2,0,0,0,0|1,0,1]=4 393 B9R0.42 CC(N[C@H](C)CO)C(=O)O 33afd43b849fefaac96a7f0d49ca40de [0,2,0,0,0,0|1,0,1]=4 394 B9R0.42 CCC(C)NC(=O)C(=O)C b88dde23e48efe99aafeecc7cda67b85 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.42 CCC(C)NC(=O)C(=O)N ea46c26843a960839fd848eedcbbb779 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.42 CCC(C)NC(C)C(=O)O 68a75686848679943d96baf18ea4cee6 [0,2,0,0,0,0|1,0,1]=4 397 B9R0.42 CCC(C)NC(O)C(=O)O 9226770c00565a8ac46c992bcd3694a8 [0,2,0,0,0,0|1,0,1]=4 398 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 2ecfa90d128261ce7b1c7103e35d9ce8 [0,2,0,0,0,0|1,0,1]=4 399 B9R0.42 CCC(C)N[C@H](C)C(=O)O 40879e478dcbab889582ba97d8fc0492 [0,2,0,0,0,0|1,0,1]=4 400 B9R0.42 CCC(C)OC(C)C(=O)O 124614e7fe674beb5798a733650d9db8 [0,2,0,0,0,0|1,0,1]=4 401 B9R0.42 CCC(C)O[C@@H](C)C(=O)O 4cdb93fe73d7b9d6910c28e3abff04ff [0,2,0,0,0,0|1,0,1]=4 402 B9R0.42 CCC(C)O[C@H](C)C(=O)O 29e87848881bd076c640e1d0afced7c0 [0,2,0,0,0,0|1,0,1]=4 403 B9R0.42 CCN(C)CC(=O)C(=O)O 69b21dc210a575cfa14653a614f06f44 [0,2,0,0,0,0|1,0,1]=4 404 B9R0.42 CC[C@@H](C)NC(=O)C(=O)C 6feb51e3f091d8424d5a2a7666ce09bb [0,2,0,0,0,0|2,0,0]=4 405 B9R0.42 CC[C@@H](C)NC(=O)C(=O)N 80cc930d2405733be40030e5f6cb1eb9 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.42 CC[C@@H](C)NC(C)C(=O)O b10403595c42ff62f6fe5c7181982ab6 [0,2,0,0,0,0|1,0,1]=4 407 B9R0.42 CC[C@@H](C)N[C@@H](C)C(=O)O 7da5357cd3fbd25609a74bf0c0d329bf [0,2,0,0,0,0|1,0,1]=4 408 B9R0.42 CC[C@@H](C)N[C@H](C)C(=O)O 11638d0e7a79520c4b085e7a2df35de8 [0,2,0,0,0,0|1,0,1]=4 409 B9R0.42 CC[C@@H](C)OC(C)C(=O)O f33ef1abedccd793f28629c961ce3fe5 [0,2,0,0,0,0|1,0,1]=4 410 B9R0.42 CC[C@@H](C)O[C@@H](C)C(=O)O e84999afa124bc3d9ca0c696f1b8d831 [0,2,0,0,0,0|1,0,1]=4 411 B9R0.42 CC[C@@H](C)O[C@H](C)C(=O)O ea5ac1487807f841b2f36b90ff247b7d [0,2,0,0,0,0|1,0,1]=4 412 B9R0.42 CC[C@H](C)NC(=O)C(=O)C 02a97ab8c9ee5fd4e7a804cd14237c27 [0,2,0,0,0,0|2,0,0]=4 413 B9R0.42 CC[C@H](C)NC(=O)C(=O)N f18718c3a127bec4f2e8f31b0a844663 [0,2,0,0,0,0|2,0,0]=4 414 B9R0.42 CC[C@H](C)NC(C)C(=O)O 826392e01ce3eb4af77b0b39d0fe978a [0,2,0,0,0,0|1,0,1]=4 415 B9R0.42 CC[C@H](C)N[C@@H](C)C(=O)O 7ef37b4a0a1e068d8a9f2b6ad87edcbb [0,2,0,0,0,0|1,0,1]=4 416 B9R0.42 CC[C@H](C)N[C@H](C)C(=O)O 22d220b0a815a9ac8aea710ad5f73c11 [0,2,0,0,0,0|1,0,1]=4 417 B9R0.42 CC[C@H](C)OC(C)C(=O)O c4f6fe4fdd240638d0083650541f09fc [0,2,0,0,0,0|1,0,1]=4 418 B9R0.42 CC[C@H](C)O[C@@H](C)C(=O)O 8169e39c983146464221b38b3e9be7ca [0,2,0,0,0,0|1,0,1]=4 419 B9R0.42 CC[C@H](C)O[C@H](C)C(=O)O ed9f7b940047fd9a74f5f18223d105e3 [0,2,0,0,0,0|1,0,1]=4 420 B9R0.42 COC(=O)CN(C)C(C)C 2c82446aed6694c498b8b1d3cd1cfa29 [0,2,0,0,0,0|1,0,1]=4 421 B9R0.42 C[C@@H](CO)NC(=O)C(=O)N 6d5caaf306105ccc595b4304019de9a4 [0,2,0,0,0,0|2,0,0]=4 422 B9R0.42 C[C@@H](CO)NC(O)C(=O)O a6cb74e2b40c31da9f39edc27820ebf8 [0,2,0,0,0,0|1,0,1]=4 423 B9R0.42 C[C@@H](CO)N[C@H](C)C(=O)O c1a428b0ddd139f9c2e2de1e99a8fc8a [0,2,0,0,0,0|1,0,1]=4 424 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 442b84cac48dc01b1a046cfb8f583325 [0,2,0,0,0,0|2,0,0]=4 425 B9R0.42 C[C@H](CO)NC(O)C(=O)O 7ec955a21dba01cf6aa8cf71eef23a2e [0,2,0,0,0,0|1,0,1]=4 426 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O ac2b35d6c7874b85744c21c2fc268b36 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.42 C[C@H](CO)N[C@H](C)C(=O)O 484a418c83723ee82ece2afa09d603dc [0,2,0,0,0,0|1,0,1]=4 428 B9R0.42 C[C@H](N[C@@H](C)CO)C(=O)O 1cea0a2a31427ddf84ea4f4f502411f2 [0,2,0,0,0,0|1,0,1]=4 429 B9R0.43 CCC(CC)NCC(=O)O 995cd6a8146da731115d097551736d02 [0,2,0,0,0,0|1,0,1]=4 430 B9R0.43 CCC(CC)OCC(=O)O 1b3befb0c3d9e3800b8f83ed1ff32f58 [0,2,0,0,0,0|1,0,1]=4 431 B9R0.43 CCC(CO)NCC(=O)O 586189b2332a32af4757091d48666a8a [0,2,0,0,0,0|1,0,1]=4 432 B9R0.43 CC[C@@H](CO)NCC(=O)O ca5de122a401b27aebff33f963871c41 [0,2,0,0,0,0|1,0,1]=4 433 B9R0.43 CC[C@H](CO)NCC(=O)O e8d663c48b3ee956fc556faee09136e0 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.43 O=C(O)CNC(CO)CO a2139af8eda74af59c3bc12727e73261 [0,2,0,0,0,0|1,0,1]=4 435 B9R0.43 O=C(O)COC(CBr)CBr 968739f959b8050ba02b555082945239 [0,2,0,0,0,0|1,0,1]=4 436 B9R0.43 O=C(O)COC(CCl)CBr 9033349e9d1caf3bf05451da377590dd [0,2,0,0,0,0|1,0,1]=4 437 B9R0.43 O=C(O)COC(CCl)CCl 07b67d873a27eefc5209e32d4442733d [0,2,0,0,0,0|1,0,1]=4 438 B9R0.43 O=C(O)COC(CF)CF 645fb4e5970d1448f8310a40d8900d10 [0,2,0,0,0,0|1,0,1]=4 439 B9R0.43 O=C(O)COC(CO)CO 97a0c2721b7a536eedc3657cdcee9b13 [0,2,0,0,0,0|1,0,1]=4 440 B9R0.43 O=C(O)CO[C@@H](CCl)CI 8724643fcfb76af31b10332219dbb5af [0,2,0,0,0,0|1,0,1]=4 441 B9R0.43 O=C(O)CO[C@H](CCl)CI a55b93887e2d1bb2223800dc9912c456 [0,2,0,0,0,0|1,0,1]=4 442 B9R0.48 C#CCC(C)OCC(=O)O 0835f7b07d3faca22337f7063acadc83 [0,2,0,0,0,0|1,0,1]=4 443 B9R0.48 C/C=C/C(C)OCC(=O)O faebc3261e3a36af1d31713fdea4082c [0,2,0,0,0,0|1,0,1]=4 444 B9R0.48 C=CCC(C)OCC(=O)O d4c2db20e21f45057095c6dd9b09bcfe [0,2,0,0,0,0|1,0,1]=4 445 B9R0.48 C=CC[C@@H](C)OCC(=O)O e1ec2ca024444d722f0b6bd34535e0cd [0,2,0,0,0,0|1,0,1]=4 446 B9R0.48 C=CC[C@H](C)OCC(=O)O 6ea8726abd2765890e4fcb26b01386e0 [0,2,0,0,0,0|1,0,1]=4 447 B9R0.48 C=COC(=O)COC(C)C a2c2392c5ec1e704642cd23302e301c8 [0,2,0,0,0,0|1,0,1]=4 448 B9R0.48 CC#CC(C)OCC(=O)O e813873701cea8517348ce7a075a23bc [0,2,0,0,0,0|1,0,1]=4 449 B9R0.48 CC(C)/C=C/C(=O)NC#N de89eed36dc323ca54db0174038e2e11 [0,2,0,0,0,0|1,0,0]=3 450 B9R0.48 CC(C)CNC(=O)CCO 08f3d4ee1660e29d5ac3dec2e1de53b3 [0,2,0,0,0,0|1,0,1]=4 451 B9R0.48 CC(C)CNC(=O)CON 0ea6d69697f2be664daf427d8f7b7ee0 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.48 CC(CC#N)NCC(=O)O 69fba03fb5560f26359cbab13b359b1e [0,2,0,0,0,0|1,0,1]=4 453 B9R0.48 CC(CC#N)OCC(=O)O 70ee78feb9ab6a3020a3affabc75ae0e [0,2,0,0,0,0|1,0,1]=4 454 B9R0.48 CC(CCC(=O)O)NCF a92d39df8a126f0852271a9b340958b4 [0,2,0,0,0,0|0,0,2]=4 455 B9R0.48 CC(CCC(=O)O)OCF 8a850024bcf506861cc56e2f4b203d76 [0,2,0,0,0,0|0,0,2]=4 456 B9R0.48 CC(CCO)NCC(=O)O facbaef0695b9d4fe56ffc8af771a40f [0,2,0,0,0,0|1,0,1]=4 457 B9R0.48 CC=CC(C)OCC(=O)O 4f9396fcfa89905cdd40c7dc857f21fd [0,2,0,0,0,0|1,0,1]=4 458 B9R0.48 CCCC(C)NCC(=O)O cc1e9c4996e6fef62cc1269e902e2107 [0,2,0,0,0,0|1,0,1]=4 459 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [0,2,0,0,0,0|1,0,1]=4 460 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [0,2,0,0,0,0|1,0,1]=4 461 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [0,2,0,0,0,0|1,0,1]=4 462 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [0,2,0,0,0,0|1,0,1]=4 463 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [0,2,0,0,0,0|0,0,2]=4 464 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [0,2,0,0,0,0|0,0,2]=4 465 B9R0.48 CCOC(=O)CNC(C)C 80d7999aed865ea280b457aaf3d32f53 [0,2,0,0,0,0|1,0,1]=4 466 B9R0.48 CCOC(=O)COC(C)C 228e90334048907c42f17a3b8b5d3d98 [0,2,0,0,0,0|1,0,1]=4 467 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,2,0,0,0,0|0,0,2]=4 468 B9R0.48 COCC(=O)COC(C)C 8939b2d2f657a9aa8b5fe020856934ec [0,2,0,0,0,0|1,0,1]=4 469 B9R0.48 COCC(=O)NCC(C)C c4daec739ffacc829175580449ce011a [0,2,0,0,0,0|1,0,1]=4 470 B9R0.48 COCC(C)NCC(=O)O e01666d87959623998976d0fafabe1b4 [0,2,0,0,0,0|1,0,1]=4 471 B9R0.48 COCC(C)OCC(=O)O af12d17716abae98c4b6439f05d9b8db [0,2,0,0,0,0|1,0,1]=4 472 B9R0.48 COC[C@@H](C)NCC(=O)O e8166a8a6f9778cdf58111f239ebd7ae [0,2,0,0,0,0|1,0,1]=4 473 B9R0.48 COC[C@@H](C)OCC(=O)O 98562fabe6feb10b85b2a34b6a556f9c [0,2,0,0,0,0|1,0,1]=4 474 B9R0.48 COC[C@H](C)NCC(=O)O 6115e49dc0a4f10f9f15c2b7faed79c6 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.48 COC[C@H](C)OCC(=O)O 3f04353f9edb1d4c983cf07f5d5e3249 [0,2,0,0,0,0|1,0,1]=4 476 B9R0.48 CSCC(C)OCC(=O)O 55d35686540ec9ccedd07c412d0e4191 [0,2,0,0,0,0|1,0,1]=4 477 B9R0.48 C[C@@H](CC#N)OCC(=O)O 8221ae7fefced7c44c448304bb0cf294 [0,2,0,0,0,0|1,0,1]=4 478 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [0,2,0,0,0,0|0,0,2]=4 479 B9R0.48 C[C@@H](CCO)NCC(=O)O e3de9f2ceaa95fe96caa8265de6dee4c [0,2,0,0,0,0|1,0,1]=4 480 B9R0.48 C[C@H](CC#N)OCC(=O)O 8b21be68c80128a2aeb313ea629aed62 [0,2,0,0,0,0|1,0,1]=4 481 B9R0.48 C[C@H](CCO)NCC(=O)O a393ad11daa1ce12621ddeee9e978586 [0,2,0,0,0,0|1,0,1]=4 482 B9R0.64 C#CC(C)(C)NCC(=O)O a17f9a3492f5da153c2e8b46081a49f7 [0,2,0,0,0,0|1,0,1]=4 483 B9R0.64 CC(C)(C#N)NCC(=O)O ec201b0188121fc090c779c46e768348 [0,2,0,0,0,0|1,0,1]=4 484 B9R0.64 CC(C)(CF)NCC(=O)O 1a4e72b512223df8d349776ccef40e80 [0,2,0,0,0,0|1,0,1]=4 485 B9R0.64 CC(C)(CO)NCC(=O)O 67fe174ec0e1fc280c3085d51bb29881 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.10 CN(CC(=O)O)C(C)(C)C c7cbcdbd59bc98528a6d52b866d8c1bd [0,2,0,0,0,0|1,0,1]=4 487 B9R0.11 CC(C)NC(C)(C)C(=O)O b6f14c368a38dd46f79213d90692b45e [0,2,0,0,0,0|1,0,1]=4 488 B9R0.39 C#CC(OC(C)C)C(=O)O 49bdf733e0cd18ec903fd24fcb81a3b5 [0,2,0,0,0,0|1,0,1]=4 489 B9R0.39 C/C=C(\OC(C)C)/C(=O)O 41280ad438d668160e49a40f3c15dda1 [0,2,0,0,0,0|1,0,0]=3 490 B9R0.39 C=CC(NC(C)C)C(=O)O 3ba3ee308a335e4378d11bd8ab8d3907 [0,2,0,0,0,0|1,0,1]=4 491 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 46c59b96562536fd12a7228d23ca4eb1 [0,2,0,0,0,0|1,0,1]=4 492 B9R0.39 CC(C)N(CF)CC(=O)O fbcfb98f04e11cc85da91bf250fbdda7 [0,2,0,0,0,0|1,0,1]=4 493 B9R0.39 CC(C)N(CO)CC(=O)O e1dd4cae1a1fde80fd16a2a4a1b81f5e [0,2,0,0,0,0|1,0,1]=4 494 B9R0.39 CC(C)NC(CCl)C(=O)O 1d090088e0aaa37c9b514c387755de07 [0,2,0,0,0,0|1,0,1]=4 495 B9R0.39 CC(C)NC(CF)C(=O)O 8b21fa6f54b141f4b6af18b3b4ffefaa [0,2,0,0,0,0|1,0,1]=4 496 B9R0.39 CC(C)NC(CO)C(=O)O 85ee10fb3bac59316ce1e6039cfeb147 [0,2,0,0,0,0|1,0,1]=4 497 B9R0.39 CC(C)NC(CS)C(=O)O b57c23a7d3e57d92473dea61f76a2672 [0,2,0,0,0,0|1,0,1]=4 498 B9R0.39 CC(C)N[C@@H](CCl)C(=O)O fa611d0eed26ab34111eaa7cef381b27 [0,2,0,0,0,0|1,0,1]=4 499 B9R0.39 CC(C)N[C@@H](CO)C(=O)O 8ae958defe682519febcc0d02a27c749 [0,2,0,0,0,0|1,0,1]=4 500 B9R0.39 CC(C)N[C@@H](CS)C(=O)O 119dfa838d7ff3de760652ba7e666146 [0,2,0,0,0,0|1,0,1]=4 501 B9R0.39 CC(C)N[C@H](CCl)C(=O)O 4c423d085885a287396db55e021a67f5 [0,2,0,0,0,0|1,0,1]=4 502 B9R0.39 CC(C)N[C@H](CO)C(=O)O f97c39ed7b4137999e81b90006e7bfe4 [0,2,0,0,0,0|1,0,1]=4 503 B9R0.39 CC(C)N[C@H](CS)C(=O)O a1a62cb98dbd812d6c6c17f2766c44c4 [0,2,0,0,0,0|1,0,1]=4 504 B9R0.39 CC(C)OC(CF)C(=O)O 4eb539bb2e6a75f80e116d9106d066eb [0,2,0,0,0,0|1,0,1]=4 505 B9R0.39 CC(C)O[C@H](CF)C(=O)O 8f75e8da877a6bd31a8573cc837ee428 [0,2,0,0,0,0|1,0,1]=4 506 B9R0.39 CCC(NC(C)C)C(=O)O d1e2ab254f28f635f62d6836cb2971ca [0,2,0,0,0,0|1,0,1]=4 507 B9R0.39 CCC(OC(C)C)C(=O)O 7fcc47a1ffa6d28a9e2f6a969b94e76f [0,2,0,0,0,0|1,0,1]=4 508 B9R0.39 CCN(CC(=O)O)C(C)C 493d0b65e3adcfa496122a54c1201266 [0,2,0,0,0,0|1,0,1]=4 509 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 74f2971df7036370e0da2bb233c67656 [0,2,0,0,0,0|1,0,1]=4 510 B9R0.39 CC[C@@H](OC(C)C)C(=O)O 9e1bf9aaca44c9873fc554bb30857075 [0,2,0,0,0,0|1,0,1]=4 511 B9R0.39 CC[C@H](NC(C)C)C(=O)O 1465e55476e138472b94d4661e4437b0 [0,2,0,0,0,0|1,0,1]=4 512 B9R0.39 CC[C@H](OC(C)C)C(=O)O 8b12a996afa700d32afad4accf218d75 [0,2,0,0,0,0|1,0,1]=4 513 B9R0.57 CC(=O)C(=O)NC(C)(C)C 484ffad398ba28cf8344e8215a4b21f9 [0,2,0,0,0,0|2,0,0]=4 514 B9R0.57 CC(C)(C)NC(=O)C(=O)N 26efb8b0e2d9682bd6d7fb9b04ed669b [0,2,0,0,0,0|2,0,0]=4 515 B9R0.57 CC(C)(C)NC(F)C(=O)O caafb65aea0d94bbf30a2c8126339649 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.57 CC(C)(C)N[C@@H](F)C(=O)O dd857def7675bf92d846e473c3b96153 [0,2,0,0,0,0|1,0,1]=4 517 B9R0.79 CC(=O)C(=O)N(C)C(C)C c3e6c5d5fbc9b0d628b5fa2d3ff9665c [0,2,0,0,0,0|2,0,0]=4 518 B9R0.79 CC(C)N(C)C(=O)C(=O)N ed9d8ba2b6b4713da68fe65e5a84f664 [0,2,0,0,0,0|2,0,0]=4 519 B9R0.79 CC(C)N(C)C(C)C(=O)O e86e3ef885a98e9581732e5b4fd4673a [0,2,0,0,0,0|1,0,1]=4 520 B9R0.79 CC(C)N(C)[C@@H](C)C(=O)O 801e51c74bed5f1ec1af558778f654a6 [0,2,0,0,0,0|1,0,1]=4 521 B9R0.79 CC(C)N(C)[C@H](C)C(=O)O 92464dee844224f6dd9bbc5f0671fad7 [0,2,0,0,0,0|1,0,1]=4 522 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [1,0,0,1,0,0|1,0,1]=4 523 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [1,0,0,1,0,0|1,0,1]=4 524 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [1,0,0,1,0,0|1,0,1]=4 525 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [1,0,0,1,0,0|1,0,1]=4 526 B7R1.23 CC1(CN1C=O)C 554667b638ac8d632390465d91f13ad0 [1,0,0,1,0,0|1,0,1]=4 527 B9R1.46 CC1CC1NCC(=O)O 3bfaf8234ce2a2ce9175fc2c1a135a09 [0,0,0,1,0,1|0,0,2]=4 528 B9R1.85 O=C(O)CCNC1CC1 d7e51b454c1ee077c45877f37cbd9dbc [0,0,0,1,0,1|0,0,2]=4 529 B9R1.85 O=C(O)CCOC1CC1 920ebb5ee7c45a619a1db975c9276d90 [0,0,0,1,0,1|0,0,2]=4 530 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [0,0,0,1,0,1|0,0,2]=4 531 B9R1.85 O=C(O)COCC1CC1 bc7f43afa7576a49960c4f48c84cf235 [0,0,0,1,0,1|0,0,2]=4 532 B9R1.170 CC1(CN1CC(=O)O)C 3ccf565e03ddb18b56e78099947f70c7 [0,0,0,1,0,1|0,0,2]=4 533 B9R1.78 CC1CC1NC(=O)CO 740515921c7bf5adffa2bc0f92edb9b2 [0,1,0,1,0,0|1,0,1]=4 534 B9R1.80 COC(=O)CNC1CC1 37b7063fe7ca1fcea414d9751a83b310 [0,1,0,1,0,0|1,0,1]=4 535 B9R1.80 COC(=O)COC1CC1 ac4fde0d4cebfa3b71c6179e0035aa22 [0,1,0,1,0,0|1,0,1]=4 536 B9R1.80 O=C(CNC1CC1)NO 336918cceffa2835ff69e4f871ea2b67 [0,1,0,1,0,0|1,0,1]=4 537 B9R1.80 O=C(CO)CNC1CC1 8ca5e06ba58066d00de17d8cea9c9025 [0,1,0,1,0,0|1,0,1]=4 538 B9R1.80 O=C(CO)NCC1CC1 1aa11e15f6d97fd26e12f2bf021722dd [0,1,0,1,0,0|1,0,1]=4 539 B9R1.84 O=C(O)CNC1CCC1 cd102a6a388082590edc8eed5830f2b0 [0,1,0,1,0,0|1,0,1]=4 540 B9R1.84 O=C(O)CNC1COC1 6bb06b4c2db0ff27bdfc2db31b9d0a43 [0,1,0,1,0,0|1,0,1]=4 541 B9R1.84 O=C(O)COC1CCC1 6ea2b5eaf8c15cb47b19add287442093 [0,1,0,1,0,0|1,0,1]=4 542 B9R1.84 O=C(O)COC1COC1 018c9639a2203f1b493d64da9ef6e678 [0,1,0,1,0,0|1,0,1]=4 543 B9R1.84 O=C(O)COC1CSC1 386bd6c5f64faff25702916ce2fff970 [0,1,0,1,0,0|1,0,1]=4 544 B9R1.147 CC1(CC1)NCC(=O)O 791305df7ecb343fa5b5da54e63f6381 [0,1,0,1,0,0|1,0,1]=4 545 B9R1.112 CC(=O)C(=O)NC1CC1 8c727b8e9becb04e21c45432c800cd9b [0,1,0,1,0,0|2,0,0]=4 546 B9R1.112 CC(NC1CC1)C(=O)O 9f16a679f53d1b6a7c598414dcc647c1 [0,1,0,1,0,0|1,0,1]=4 547 B9R1.112 CC(OC1CC1)C(=O)O c571a164b07a3b0ff7a8556f8699f4a3 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.112 C[C@@H](NC1CC1)C(=O)O 0af862409a6887d25e25f4a186199a51 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.112 C[C@@H](OC1CC1)C(=O)O 02a1dfde219281849e31ed75d43f36ac [0,1,0,1,0,0|1,0,1]=4 550 B9R1.112 C[C@H](NC1CC1)C(=O)O 8f50576c81c731defbf87059fbc2bbc5 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.112 C[C@H](OC1CC1)C(=O)O 3ff101290c7cafe95c2fba539b32018c [0,1,0,1,0,0|1,0,1]=4 552 B9R1.112 NC(=O)C(=O)NC1CC1 caae8ca483668c34d1ac66b886547022 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.112 O=C(O)C(F)NC1CC1 ab0cb5dbff8f96a53d4ab238afd2e5b2 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.112 O=C(O)C(O)NC1CC1 5879b8d2b4559669899973f84acbc223 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.112 O=C(O)[C@H](F)NC1CC1 2357739b82c4749fceebf72401d17ad2 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.137 CN(CC(=O)O)C1CC1 e912d9f2a96d438402b8e9e74437ecb9 [0,1,0,1,0,0|1,0,1]=4 557 B9R0.55 CC(=CCNCC(=O)O)C eb2d4cd02024c6dd2f4bde47f5d99d0f [0,0,0,0,0,2|0,0,2]=4 558 B9R0.55 CC(=CCOCC(=O)O)C dd5792ad54701fa0e3373ee19c312e10 [0,0,0,0,0,2|0,0,2]=4 559 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [0,0,0,0,0,2|0,0,2]=4 560 B9R0.55 CC(C)CCOCC(=O)O e88766c3f11bcdb2fdb3cb88ad21cf09 [0,0,0,0,0,2|0,0,2]=4 561 B9R0.55 CC(C)CNCCC(=O)O c1d65499ae131aec028ce1008fad9272 [0,0,0,0,0,2|0,0,2]=4 562 B9R0.55 CC(C)COCCC(=O)O 1a7492ddc84059d0e80957dca0a4ad8a [0,0,0,0,0,2|0,0,2]=4 563 B9R0.55 CC(C)NC/C=C/C(=O)O ae9dbd87f20c6972a3670d953188c3ce [0,0,0,0,0,2|0,0,0]=2 564 B9R0.55 CC(C)NCC#CC(=O)O 2322157e673e62502fc91ecd464ad9e6 [0,0,0,0,0,2|0,0,2]=4 565 B9R0.55 CC(C)NCC=CC(=O)O 8c3eb5e4ab7e707382a244b29e0cbb5e [0,0,0,0,0,2|0,0,0]=2 566 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [0,0,0,0,0,2|0,0,2]=4 567 B9R0.55 CC(C)OC/C=C/C(=O)O 6bbca3c32dd54059c9ebefbdb83a4677 [0,0,0,0,0,2|0,0,0]=2 568 B9R0.55 CC(C)OCC#CC(=O)O 192a4aa7410cc4a8c82dd63d229fa824 [0,0,0,0,0,2|0,0,2]=4 569 B9R0.55 CC(C)OCC=CC(=O)O 0c0c6ff71b7a84b51cfd84c6c96dabb5 [0,0,0,0,0,2|0,0,0]=2 570 B9R0.55 CC(C)OCNCC(=O)O 116e31958898eaa4d243bb8a4f561aab [0,0,0,0,0,2|0,0,2]=4 571 B9R0.55 CC(C)OCOCC(=O)O 185be0dff94a3b667aca878d046b91c5 [0,0,0,0,0,2|0,0,2]=4