0 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,0,0,0,0,0|3,0,1]=4 2 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,0,0,0,0,0|4,0,0]=4 3 B7R0.3 C=C(CNC#N)OC d6eb2dac09980e5fa7fc46fab00d6b72 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,0,0,0,0,0|4,0,0]=4 7 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,0,0,0,0,0|4,0,0]=4 9 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,0,0,0,0,0|4,0,0]=4 12 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,0,0,0,0,0|3,0,1]=4 14 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,0,0,0,0,0|4,0,0]=4 17 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,0,0,0,0,0|4,0,0]=4 19 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,0,0,0,0,0|4,0,0]=4 20 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,0,0,0,0,0|4,0,0]=4 21 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,0,0,0,0,0|3,1,0]=4 22 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,0,0,0,0,0|3,0,0]=3 24 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,0,0,0,0,0|4,0,0]=4 25 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,0,0,0,0,0|2,0,0]=2 26 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,0,0,0,0,0|3,0,0]=3 29 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,0,0,0,0,0|2,0,0]=2 31 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,0,0,0,0,0|3,0,1]=4 33 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,0,0,0,0,0|3,0,1]=4 36 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,0,0,0,0,0|3,0,1]=4 37 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.3 CNC(=O)CNC#N 7ba4abe3fad3b11746e82f87bf46d0a1 [0,0,0,0,0,0|4,0,0]=4 39 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,0,0,0,0,0|4,0,0]=4 40 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,0,0,0,0,0|4,0,0]=4 41 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,0,0,0,0,0|4,0,0]=4 42 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [0,0,0,0,0,0|3,0,0]=3 44 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,0,0,0,0,0|3,0,0]=3 45 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,0,0,0,0,0|3,0,0]=3 46 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,0,0,0,0,0|3,0,0]=3 47 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,0,0,0,0,0|3,0,0]=3 48 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,0,0,0,0,0|4,0,0]=4 49 B7R0.3 CSCCN(C)CF 890b5ffb8cf7a6973b2ee7dfd458ffb1 [0,0,0,0,0,0|4,0,0]=4 50 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [0,0,0,0,0,0|4,0,0]=4 51 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,0,0,0,0|3,0,0]=4 52 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,0,0,0,0,0|3,0,0]=4 53 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,0,0,0,0,0|3,0,0]=4 54 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [1,0,0,0,0,0|2,0,1]=4 55 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,0,0,0,0|3,0,0]=4 56 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,0,0,0,0|3,0,0]=4 57 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,0,0,0,0|3,0,0]=4 59 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,0,0,0,0|3,0,0]=4 60 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,0,0,0,0|3,0,0]=4 64 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,0,0,0,0|3,0,0]=4 65 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,0,0,0,0|3,0,0]=4 66 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|2,0,0]=3 69 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|2,0,0]=3 72 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,0,0,0,0,0|3,0,0]=4 77 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,0,0,0,0|3,0,0]=4 78 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,0,0,0,0|3,0,0]=4 81 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,0,0,0,0|3,0,0]=4 82 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,0,0,0,0|3,0,0]=4 83 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|3,0,0]=4 85 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|3,0,0]=4 86 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,0,0,0,0|2,0,1]=4 87 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,0,0,0,0|2,0,1]=4 88 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,0,0,0,0|2,0,1]=4 89 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,0,0,0,0|2,0,1]=4 90 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,0,0,0,0,0|2,0,1]=4 91 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|2,0,1]=4 93 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|2,0,0]=3 94 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [1,0,0,0,0,0|1,1,1]=4 95 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [1,0,0,0,0,0|1,0,1]=3 96 B6R0.6 CSCCNC#N 600fd746ec0d58a2c56bd925339f8673 [1,0,0,0,0,0|3,0,0]=4 97 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,0,0,0,0,0|3,0,0]=4 98 B6R0.6 CSCCNCF f9e826d56784386e3fbd3943c2c335d4 [1,0,0,0,0,0|3,0,0]=4 99 B6R0.6 CSCCNCO d257ffa86b2e710c05d83eea0cd201f0 [1,0,0,0,0,0|3,0,0]=4 100 B6R0.6 CSCCOCF e4905492719aa8fe7bcec7641ead64f3 [1,0,0,0,0,0|3,0,0]=4 101 B8R0.1 C#CCNC(=O)COC 0339c52ff36ce70a96ce9a88fff2f8c4 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,1,0,0,0,0|3,0,0]=4 103 B8R0.1 CC#CC(=O)NCCC f3929637650271102a5b6c505641e7e8 [0,1,0,0,0,0|3,0,0]=4 104 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,1,0,0,0,0|2,1,0]=4 105 B8R0.1 CCCCC(=O)NC#N 2fe7c425eb1622681eebf36d3ea640ff [0,1,0,0,0,0|2,0,1]=4 106 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,1,0,0,0,0|2,0,1]=4 108 B8R0.1 CCCCN(C)COC 82c59ffeb372941e62ade16842f09aa1 [0,1,0,0,0,0|3,0,0]=4 109 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,1,0,0,0,0|2,0,1]=4 111 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,1,0,0,0,0|3,0,0]=4 114 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,1,0,0,0,0|3,0,0]=4 115 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,1,0,0,0,0|3,0,0]=4 116 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,1,0,0,0,0|3,0,0]=4 117 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,1,0,0,0,0|3,0,0]=4 118 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,1,0,0,0,0|2,0,0]=3 119 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,1,0,0,0,0|3,0,0]=4 120 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,1,0,0,0,0|2,1,0]=4 121 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,1,0,0,0,0|3,0,0]=4 122 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,1,0,0,0,0|3,0,0]=4 123 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,1,0,0,0,0|2,0,0]=3 124 B8R0.1 CCOC(=O)CNC#N 5d84038a545807021d0d5d796040f780 [0,1,0,0,0,0|3,0,0]=4 125 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [0,1,0,0,0,0|3,0,0]=4 126 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,1,0,0,0,0|3,0,0]=4 127 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,1,0,0,0,0|3,0,0]=4 128 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,1,0,0,0,0|1,1,1]=4 130 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,1,0,0,0,0|2,0,0]=3 132 B8R0.1 COCC(=O)CNC#N 3b88c69df65aae2aef2104252f95eee8 [0,1,0,0,0,0|3,0,0]=4 133 B8R0.1 COCC(=O)NCC#N b9b1e25677cd4c9f33e77a62bc136b71 [0,1,0,0,0,0|3,0,0]=4 134 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,1,0,0,0,0|3,0,0]=4 135 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,1,0,0,0,0|3,0,0]=4 136 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,1,0,0,0,0|3,0,0]=4 137 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,1,0,0,0,0|3,0,0]=4 138 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,1,0,0,0,0|3,0,0]=4 139 B8R0.1 COCC(C)NCSC c65c691b291feca97768e9e081d9e61b [0,1,0,0,0,0|2,0,1]=4 140 B8R0.1 COCC(C)OCSC ac9b2ab32f9f977b5baebe980be0f344 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.1 COCCC(=O)NC#N 0164696a986e1f0378c0b9e07c237c02 [0,1,0,0,0,0|1,1,1]=4 142 B8R0.1 COCCC(C)OCF 1c24462098656029d24876204a2cded4 [0,1,0,0,0,0|1,1,1]=4 143 B8R0.1 COCCN(C)COC 988caaf7b0acbc240227baa170a3504a [0,1,0,0,0,0|2,1,0]=4 144 B8R0.1 COCN(C)CCSC 602ce5b7bc7a225ea70b75ddd3304e98 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.1 COC[C@@H](C)NCSC a373e5142c49c6b8358dc6f2a80e75c6 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.1 COC[C@@H](C)OCSC aa5c9cbc144555adec3b3216ca3944d4 [0,1,0,0,0,0|2,0,1]=4 147 B8R0.1 COC[C@H](C)NCSC 32dd16ad91f658657131385e4dd12f54 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.1 COC[C@H](C)OCSC c2a2f3066cbeb1757c54bc82b005ec40 [0,1,0,0,0,0|2,0,1]=4 149 B8R0.1 CSCCC(=O)NC#N aef0d4e74706fd59073e203e77c34320 [0,1,0,0,0,0|1,0,1]=3 150 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,1,0,0,0,0|1,0,1]=3 151 B8R0.1 CSCCN(C)CCF 009b8e27e8e790d3ca2e81faf9ac0f0f [0,1,0,0,0,0|3,0,0]=4 152 B8R0.1 CSCCN(C)CCO 85eeedbf06a800beafc41e04d578329f [0,1,0,0,0,0|3,0,0]=4 153 B8R0.1 CSCCN(C)CCS 81ba41fb7d6f3f42166f9514690c9e2c [0,1,0,0,0,0|3,0,0]=4 154 B8R0.1 CSCCN(C)CSC 2fe8ec926878f90934ccdb2b3a5d1e07 [0,1,0,0,0,0|2,1,0]=4 155 B8R0.1 CSSCC(=O)NC#N 679d89448bf7650a255c7f4ed89b302b [0,1,0,0,0,0|2,0,1]=4 156 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,1,0,0,0,0|3,0,0]=4 158 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,1,0,0,0,0|2,0,0]=3 159 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,1,0,0,0,0|2,0,0]=3 160 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,1,0,0,0,0|2,0,0]=3 161 B8R0.3 COC(=O)C(C)NC#N 0da26f030d7cbb617c3d102fad361d22 [0,1,0,0,0,0|3,0,0]=4 162 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,1,0,0,0,0|3,0,0]=4 163 B8R0.3 COC(=O)[C@@H](C)NC#N c796307ff0b9ba8fc5b9db354520dce4 [0,1,0,0,0,0|3,0,0]=4 164 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.3 COC(=O)[C@H](C)NC#N 33f198992691a24d8b15f51815640099 [0,1,0,0,0,0|3,0,0]=4 166 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,1,0,0,0,0|3,0,0]=4 167 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.6 C#CC(=O)NCCOC 27d5f534cf46c1b30aac020f37738689 [0,1,0,0,0,0|1,1,1]=4 169 B8R0.6 C#CC(=O)NCCSC 1d2889159a53b2ae0146f8d2c63c8c49 [0,1,0,0,0,0|1,0,1]=3 170 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,1,0,0,0,0|2,0,1]=4 171 B8R0.6 C#CCNCC(=C)OC 7bb6e3ec06a323360f1936227e96623a [0,1,0,0,0,0|2,0,1]=4 172 B8R0.6 C#CCNCC(=O)CC c306a58106d871d66f9632f16da5a734 [0,1,0,0,0,0|2,0,1]=4 173 B8R0.6 C#CCNCC(=O)NC 0734edd1a455cb52847005383d65287a [0,1,0,0,0,0|2,0,1]=4 174 B8R0.6 C#CCNCC(=O)OC 45a330447218442f782052439de91cbb [0,1,0,0,0,0|1,0,1]=3 175 B8R0.6 C#CCOCC(=C)OC 0f84e70b3f47c50d1587c61f9019e2bb [0,1,0,0,0,0|2,0,1]=4 176 B8R0.6 C#CCOCC(=O)CC 432ed08c7ed6528d6b4d9248e66c13d7 [0,1,0,0,0,0|2,0,1]=4 177 B8R0.6 C#CCOCC(=O)NC c431f788de734fb576e66eb9c43d15bd [0,1,0,0,0,0|2,0,1]=4 178 B8R0.6 C#CCOCC(=O)OC 1936252f7aa08c2478ab6a51c2564247 [0,1,0,0,0,0|1,0,1]=3 179 B8R0.6 C=C(C#N)COCSC 9147fff9e78997dd96cbe8f892034e6c [0,1,0,0,0,0|3,0,0]=4 180 B8R0.6 C=C(C=O)OCCSC bcf62c6c6fadd7ac5b12dbbe58c89f04 [0,1,0,0,0,0|3,0,0]=4 181 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,1,0,0,0,0|3,0,0]=4 182 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,1,0,0,0,0|3,0,0]=4 183 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,1,0,0,0,0|2,1,0]=4 184 B8R0.6 C=C(CNCC#N)OC f7eaa19edebb5345654ebb5f79ad32a9 [0,1,0,0,0,0|3,0,0]=4 185 B8R0.6 C=C(CNCCBr)OC efbac263e7650d3962d08edf3ce114db [0,1,0,0,0,0|3,0,0]=4 186 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,1,0,0,0,0|2,0,0]=3 187 B8R0.6 C=C(CNCCF)OC 0e8256fb644c0f85910115699008ab8e [0,1,0,0,0,0|3,0,0]=4 188 B8R0.6 C=C(CNCCI)OC fcef31f506379ae7bbc30bf7d4c63099 [0,1,0,0,0,0|3,0,0]=4 189 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,1,0,0,0,0|3,0,0]=4 190 B8R0.6 C=C(CNCCS)OC ce06596f455c7bf3f5895fe9ae52a28f [0,1,0,0,0,0|3,0,0]=4 191 B8R0.6 C=C(COCC#N)OC fc2d8aaf7e78208e2c57e9bc02a2b0e6 [0,1,0,0,0,0|3,0,0]=4 192 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,1,0,0,0,0|2,0,0]=3 193 B8R0.6 C=C(COCCF)OC 781881c77dd820871f857506616f3c75 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.6 C=C(COCCS)OC 4d7d697d0d7ec1ce88163ba6265f360d [0,1,0,0,0,0|3,0,0]=4 195 B8R0.6 C=C(COCOC)OC ecada7a2d0836d223f9478db3a9a4d4b [0,1,0,0,0,0|1,1,0]=3 196 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,1,0,0,0,0|2,0,1]=4 197 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,1,0,0,0,0|1,1,1]=4 198 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,1,0,0,0,0|1,0,1]=3 199 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,1,0,0,0,0|2,0,1]=4 200 B8R0.6 C=CCNCC(=O)NC f548b9ed621af83174e69d5d65b71e11 [0,1,0,0,0,0|2,0,1]=4 201 B8R0.6 C=CCNCC(=O)OC 149a449e2131ace3a8ad23121b53b8be [0,1,0,0,0,0|1,0,1]=3 202 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,1,0,0,0,0|2,0,1]=4 203 B8R0.6 C=CCOCC(=O)NC 78ae20439406612f9980a44f6c28e411 [0,1,0,0,0,0|2,0,1]=4 204 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,1,0,0,0,0|1,0,1]=3 205 B8R0.6 CC#CCNC(=O)CC 6d9ddda364502c2ffe7bd0b913f40e69 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,1,0,0,0,0|2,0,1]=4 207 B8R0.6 CCC(=O)CNCC#N cd2d4ac86eb31d1927746a139e109e79 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,1,0,0,0,0|3,0,0]=4 209 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,1,0,0,0,0|3,0,0]=4 210 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,1,0,0,0,0|3,0,0]=4 211 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,1,0,0,0,0|3,0,0]=4 212 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,1,0,0,0,0|3,0,0]=4 213 B8R0.6 CCC(=O)COCC#N df5b26610d1a9f1f635c4ac5e628d5dd [0,1,0,0,0,0|3,0,0]=4 214 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,1,0,0,0,0|3,0,0]=4 215 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,1,0,0,0,0|3,0,0]=4 217 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,1,0,0,0,0|1,1,0]=3 218 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,1,0,0,0,0|1,0,0]=2 219 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,1,0,0,0,0|3,0,0]=4 220 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,1,0,0,0,0|3,0,0]=4 221 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,1,0,0,0,0|3,0,0]=4 222 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,1,0,0,0,0|1,1,0]=3 223 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,1,0,0,0,0|2,1,0]=4 224 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,1,0,0,0,0|1,0,0]=2 225 B8R0.6 CCC(C)CNCSC 6f4b9794ed5c454ab126ae4d0e73a10c [0,1,0,0,0,0|2,0,1]=4 226 B8R0.6 CCC(C)COCSC c71a7ed276355c4fd851325151b38886 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.6 CCC(C)NCCSC a7b869a85f7710a25c36dcb603db041a [0,1,0,0,0,0|2,0,1]=4 228 B8R0.6 CCC(C)OCCSC f2031df256af2f97a18e4ed202bceae8 [0,1,0,0,0,0|2,0,1]=4 229 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,1,0,0,0,0|1,0,2]=4 230 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,1,0,0,0,0|3,0,0]=4 231 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,1,0,0,0,0|2,0,0]=3 232 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,1,0,0,0,0|3,0,0]=4 233 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,0,0,0,0|3,0,0]=4 234 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,1,0,0,0,0|3,0,0]=4 235 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,0,0,0,0|2,0,0]=3 236 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,0,0,0,0|3,0,0]=4 237 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,1,0,0,0,0|2,0,0]=3 238 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,1,0,0,0,0|3,0,0]=4 239 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,1,0,0,0,0|1,0,0]=2 240 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,1,0,0,0,0|2,0,1]=4 241 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,1,0,0,0,0|2,0,1]=4 242 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,1,0,0,0,0|2,0,1]=4 243 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,0,0,0,0|2,0,0]=3 244 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,0,0,0,0|2,0,0]=3 245 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,1,0,0,0,0|1,0,0]=2 246 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,1,0,0,0,0|2,0,1]=4 247 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,1,0,0,0,0|2,0,1]=4 248 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,1,0,0,0,0|2,0,1]=4 249 B8R0.6 CCN(C)CCCSC 730187a2113fbfde3873dca10ec6b3c0 [0,1,0,0,0,0|3,0,0]=4 250 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,1,0,0,0,0|2,0,0]=3 251 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,1,0,0,0,0|3,0,0]=4 252 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,1,0,0,0,0|1,0,0]=2 253 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,1,0,0,0,0|1,1,0]=3 254 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,1,0,0,0,0|0,1,0]=2 255 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [0,1,0,0,0,0|1,1,1]=4 256 B8R0.6 CCSCCN(C)CC 077f8ad0cd3fd5bb632eef062cc525ef [0,1,0,0,0,0|3,0,0]=4 257 B8R0.6 CC[C@@H](C)COCSC 8b471433ffcca29c79070d25016db951 [0,1,0,0,0,0|2,0,1]=4 258 B8R0.6 CC[C@@H](C)NCCSC 3870552ed0d765a76f3d579fe3568814 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.6 CC[C@@H](C)OCCSC ce99c06b76dfa3d0696884b1a7785ccb [0,1,0,0,0,0|2,0,1]=4 260 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,1,0,0,0,0|1,0,2]=4 261 B8R0.6 CC[C@H](C)CNCSC 09c62bc5d5574c3389dd8bafebc19969 [0,1,0,0,0,0|2,0,1]=4 262 B8R0.6 CC[C@H](C)COCSC 8b7f4fdb54794462883a4b1b9a971b1c [0,1,0,0,0,0|2,0,1]=4 263 B8R0.6 CC[C@H](C)NCCSC b6fc5b7faab69eb04934aa5da5f5a009 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.6 CC[C@H](C)OCCSC 859d8c0e08c17053da54ea6974440015 [0,1,0,0,0,0|2,0,1]=4 265 B8R0.6 CNC(=O)CCNC#N 9df6bde8ff5527a9a9b73672aa2859de [0,1,0,0,0,0|2,0,1]=4 266 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [0,1,0,0,0,0|2,0,1]=4 267 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,1,0,0,0,0|2,0,0]=3 268 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,1,0,0,0,0|2,0,0]=3 269 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,1,0,0,0,0|1,1,0]=3 270 B8R0.6 CNC(=O)CNCC#N 995edbbfaf01ad1a0a32b6c67bcaab1a [0,1,0,0,0,0|3,0,0]=4 271 B8R0.6 CNC(=O)CNCC=O cfe6c3d1fbc6a8a471727a0cb22b0fb6 [0,1,0,0,0,0|3,0,0]=4 272 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,1,0,0,0,0|3,0,0]=4 273 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,1,0,0,0,0|3,0,0]=4 274 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,1,0,0,0,0|3,0,0]=4 275 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,1,0,0,0,0|3,0,0]=4 276 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,1,0,0,0,0|3,0,0]=4 277 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,1,0,0,0,0|1,1,0]=3 278 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,1,0,0,0,0|1,0,0]=2 279 B8R0.6 CNC(=O)COCC#N b0d1e0c2d2fe987e58b15aa862461a14 [0,1,0,0,0,0|3,0,0]=4 280 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [0,1,0,0,0,0|3,0,0]=4 281 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,1,0,0,0,0|3,0,0]=4 283 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,1,0,0,0,0|1,1,0]=3 284 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,1,0,0,0,0|1,0,0]=2 285 B8R0.6 COC(=O)CCNC#N 7a530d6d679d08354249cd6e728a86d9 [0,1,0,0,0,0|1,0,1]=3 286 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,1,0,0,0,0|1,0,1]=3 287 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,1,0,0,0,0|1,0,0]=2 288 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,1,0,0,0,0|1,0,0]=2 289 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,1,0,0,0,0|0,1,0]=2 290 B8R0.6 COC(=O)CNCC#N e54efd0e7cdfa4eb3c060e8dafdb53cb [0,1,0,0,0,0|2,0,0]=3 291 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,1,0,0,0,0|2,0,0]=3 292 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,1,0,0,0,0|2,0,0]=3 293 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,1,0,0,0,0|2,0,0]=3 294 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,1,0,0,0,0|2,0,0]=3 295 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,1,0,0,0,0|2,0,0]=3 296 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,1,0,0,0,0|2,0,0]=3 297 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,1,0,0,0,0|0,0,0]=1 298 B8R0.6 COC(=O)COCC#N d961317c976447afdfd8be4bef3f1d28 [0,1,0,0,0,0|2,0,0]=3 299 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,1,0,0,0,0|2,0,0]=3 300 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,1,0,0,0,0|2,0,0]=3 301 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,1,0,0,0,0|2,0,0]=3 302 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,1,0,0,0,0|0,0,0]=1 303 B8R0.6 COC(=O)OCNC#N 68a1636c7d8817a5e8ec4b65f17a1204 [0,1,0,0,0,0|2,0,1]=4 304 B8R0.6 COC(C)CCOCF beae3c76f3600c0e0ecf07e49acce172 [0,1,0,0,0,0|1,1,1]=4 305 B8R0.6 COC(C)COCSC c95dbaa03076c7f4675e922f7c6327fa [0,1,0,0,0,0|1,0,1]=3 306 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,1,0,0,0,0|2,1,0]=4 307 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,1,0,0,0,0|2,1,0]=4 308 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,1,0,0,0,0|2,1,0]=4 309 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,1,0,0,0,0|2,1,0]=4 310 B8R0.6 COCNCC(=O)NO 6370b599efa65c671e4aeafd65f9dc2d [0,1,0,0,0,0|2,1,0]=4 311 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,1,0,0,0,0|0,1,0]=2 312 B8R0.6 COCNC[C@@H](C)OC 8719badde24da218495728acf9da382d [0,1,0,0,0,0|1,1,1]=4 313 B8R0.6 COCNC[C@H](C)OC 0a6541aa22390aaad41f3e5d8953386c [0,1,0,0,0,0|1,1,1]=4 314 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,1,0,0,0,0|0,1,0]=2 315 B8R0.6 COCOCC(C)OC c05c58edc019f9219269006f32e8e653 [0,1,0,0,0,0|1,1,1]=4 316 B8R0.6 COCOC[C@@H](C)OC de9e91a19b19de64061abe48af26aa5f [0,1,0,0,0,0|1,1,1]=4 317 B8R0.6 COCOC[C@H](C)OC ad233134d7aadab353a6532bf99fe148 [0,1,0,0,0,0|1,1,1]=4 318 B8R0.6 CO[C@@H](C)CNCSC 78931860676203d976e0374c798e7258 [0,1,0,0,0,0|1,0,1]=3 319 B8R0.6 CO[C@@H](C)COCSC 3d16e33683997381bb9d0caeea283c9d [0,1,0,0,0,0|1,0,1]=3 320 B8R0.6 CO[C@H](C)CNCSC c3d3388a32eb99bbae83c0a117ed495b [0,1,0,0,0,0|1,0,1]=3 321 B8R0.6 CO[C@H](C)COCSC bab8e0bbdfc17dc0e96f555e2d16602d [0,1,0,0,0,0|1,0,1]=3 322 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,1,0,0,0,0|2,0,0]=3 323 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,1,0,0,0,0|2,0,0]=3 324 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,1,0,0,0,0|2,0,0]=3 325 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,1,0,0,0,0|2,0,0]=3 326 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,1,0,0,0,0|2,0,0]=3 327 B8R0.6 CSCOC/C(=C/I)/C e9882d9dbe135b55905a235735c7634e [0,1,0,0,0,0|3,0,0]=4 328 B8R0.6 CSCOCC(=CI)C 582e2560e7d9aae0a93b39559f473897 [0,1,0,0,0,0|3,0,0]=4 329 B8R0.6 O=C(CCNCF)NO aaad06265f693e1393c4e11198291b97 [0,1,0,0,0,0|3,0,0]=4 330 B8R0.6 O=C(CCNCO)NO a2ec66bacb8f2a5bbd11eb6132728c80 [0,1,0,0,0,0|3,0,0]=4 331 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,1,0,0,0,0|3,0,0]=4 332 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,1,0,0,0,0|3,0,0]=4 334 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,1,0,0,0,0|3,0,0]=4 335 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,1,0,0,0,0|3,0,0]=4 336 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,1,0,0,0,0|3,0,0]=4 337 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,1,0,0,0,0|3,0,0]=4 339 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,1,0,0,0,0|3,0,0]=4 340 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,1,0,0,0,0|3,0,0]=4 341 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,1,0,0,0,0|3,0,0]=4 342 B8R0.8 CSCCN(C)C(=O)C f3dc0247d8f8741adf15cb67ead23b7f [0,1,0,0,0,0|3,0,0]=4 343 B8R0.8 CSCCN(C)C(C)C 8ad12d4699cfc51ee74e0cbfb73cd06c [0,1,0,0,0,0|3,0,0]=4 344 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,1,0,0,0,0|3,0,0]=4 345 B8R0.9 C=C(COC(C)C)OC 96f850636a0fcded9cc7f40aac2f05a4 [0,1,0,0,0,0|3,0,0]=4 346 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,1,0,0,0,0|3,0,0]=4 347 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,0,0,0,0|3,0,0]=4 348 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,0,0,0,0|3,0,0]=4 349 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,1,0,0,0,0|3,0,0]=4 350 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,1,0,0,0,0|3,0,0]=4 351 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,1,0,0,0,0|3,0,0]=4 352 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,1,0,0,0,0|3,0,0]=4 353 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,0,0,0,0|3,0,0]=4 354 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,1,0,0,0,0|3,0,0]=4 355 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,1,0,0,0,0|2,0,0]=3 356 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,0,0,0,0|2,0,0]=3 357 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,0,0,0,0|2,0,0]=3 358 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,1,0,0,0,0|3,0,0]=4 359 B8R0.11 CCN(C=O)CCOC 57d3ddcf433d03a3e450ecf7301ce02d [0,1,0,0,0,0|2,1,0]=4 360 B8R0.19 C=C(CN(C)CC)OC ae7aed41eaced6b8d6d4f4656a97dade [0,1,0,0,0,0|3,0,0]=4 361 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,1,0,0,0,0|3,0,0]=4 362 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,1,0,0,0,0|3,0,0]=4 363 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,1,0,0,0,0|3,0,0]=4 364 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,1,0,0,0,0|3,0,0]=4 365 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,1,0,0,0,0|3,0,0]=4 366 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,1,0,0,0,0|2,0,0]=3 367 B8R0.19 COC(=O)CN(C)C=O 943cc5729a7d321dfa7dcb2f4fa86c17 [0,1,0,0,0,0|3,0,0]=4 368 B8R0.19 COC(=O)CN(C)CF 315bad3552c61e9bc012d524d408a643 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.19 COC(=O)CN(C)CO ead5047548ab9512878dca6e9fed3e38 [0,1,0,0,0,0|3,0,0]=4 370 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,0,0,1,0,0|3,0,0]=4 371 B8R1.2 CCN1CCSCC1 1b9658d9d2dd04d5c3441497757b0605 [0,0,0,1,0,0|3,0,0]=4 372 B8R1.10 CSCCN1CCC1 9792545c82f20ff9437db0c960cae46b [0,0,0,1,0,0|3,0,0]=4 373 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,0,0,1,0,0|3,0,0]=4 374 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,0,0,1,0,0|3,0,0]=4 375 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,0,0,1,0,0|3,0,0]=4 376 B8R1.40 CCC(=O)NC1CC1 bc1edd04b4e58cbfa3a5f5c726ebfe6b [0,0,0,1,0,0|3,0,0]=4 377 B8R1.47 CCN1CC(C1)SC 8746f03668c7e744efe9613af29b4486 [0,0,0,1,0,0|3,0,0]=4 378 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|2,0,0]=4 379 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|2,0,0]=4 380 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|2,0,0]=4 381 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|2,0,0]=4 382 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|2,0,0]=4 383 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|1,0,1]=4 384 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [1,1,0,0,0,0|1,0,1]=4 385 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [1,1,0,0,0,0|0,1,0]=3 386 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [1,1,0,0,0,0|0,1,0]=3 387 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,1,0,0,0,0|1,0,1]=4 388 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [1,1,0,0,0,0|1,0,1]=4 389 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [1,1,0,0,0,0|2,0,0]=4 390 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,1,0,0,0,0|1,0,1]=4 391 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [1,1,0,0,0,0|1,0,1]=4 392 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [1,1,0,0,0,0|1,0,1]=4 394 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [1,1,0,0,0,0|1,0,1]=4 395 B7R0.7 CSCC(=O)NC#N b05a488e02281b18583d705ae1321716 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.7 N#CNC(=O)CCS 4c8d70dcb6c079601a678239569cd2dc [1,1,0,0,0,0|1,0,1]=4 398 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [1,1,0,0,0,0|2,0,0]=4 399 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [1,1,0,0,0,0|1,0,1]=4 401 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [1,1,0,0,0,0|1,0,1]=4 402 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [1,1,0,0,0,0|1,0,1]=4 403 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [1,1,0,0,0,0|1,0,1]=4 404 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [1,1,0,0,0,0|1,0,1]=4 405 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [1,1,0,0,0,0|1,0,1]=4 406 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,1,0,0,0,0|2,0,0]=4 408 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [1,1,0,0,0,0|2,0,0]=4 409 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [1,1,0,0,0,0|2,0,0]=4 410 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|1,1,0]=4 411 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [1,1,0,0,0,0|1,1,0]=4 412 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,1,0,0,0,0|2,0,0]=4 413 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [1,1,0,0,0,0|1,1,0]=4 414 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [1,1,0,0,0,0|1,0,0]=3 415 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,1,0,0,0,0|2,0,0]=4 416 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [1,1,0,0,0,0|1,1,0]=4 417 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [1,1,0,0,0,0|1,0,0]=3 418 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [1,1,0,0,0,0|1,0,1]=4 419 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [1,1,0,0,0,0|1,0,1]=4 420 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [1,1,0,0,0,0|1,0,1]=4 421 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,1,0,0,0,0|1,0,1]=4 423 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,1,0,0,0,0|1,0,1]=4 424 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,1,0,0,0,0|1,0,1]=4 425 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [1,1,0,0,0,0|1,0,1]=4 426 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [1,1,0,0,0,0|1,0,1]=4 427 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [1,1,0,0,0,0|0,1,0]=3 429 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [1,1,0,0,0,0|2,0,0]=4 430 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,1,0,0,0,0|2,0,0]=4 431 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,1,0,0,0,0|2,0,0]=4 432 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|2,0,0]=4 433 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,1,0,0,0,0|2,0,0]=4 434 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [1,1,0,0,0,0|2,0,0]=4 435 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [1,1,0,0,0,0|2,0,0]=4 437 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,1,0,0,0,0|2,0,0]=4 438 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [1,1,0,0,0,0|2,0,0]=4 439 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|2,0,0]=4 440 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|2,0,0]=4 441 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [1,1,0,0,0,0|1,1,0]=4 442 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [1,1,0,0,0,0|1,1,0]=4 443 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [1,1,0,0,0,0|1,0,1]=4 444 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|1,0,0]=3 445 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|1,0,0]=3 446 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,1,0,0,0,0|2,0,0]=4 447 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|1,0,0]=3 448 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,1,0,0,0,0|1,0,0]=3 449 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,1,0,0,0,0|2,0,0]=4 450 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|1,0,0]=3 451 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,1,0,0,0,0|2,0,0]=4 452 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,1,0,0,0,0|2,0,0]=4 453 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|1,0,0]=3 454 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [1,1,0,0,0,0|2,0,0]=4 455 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|2,0,0]=4 456 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|0,1,0]=3 457 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,1,0,0,0,0|1,1,0]=4 458 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|0,1,0]=3 459 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [1,1,0,0,0,0|1,1,0]=4 460 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|1,1,0]=4 461 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,1,0,0,0,0|0,1,0]=3 462 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,1,0,0,0,0|0,1,0]=3 463 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [1,1,0,0,0,0|1,1,0]=4 464 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,1,0,0,0,0|0,1,0]=3 465 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [1,1,0,0,0,0|0,1,0]=3 466 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [1,1,0,0,0,0|1,1,0]=4 467 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|0,1,0]=3 468 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [1,1,0,0,0,0|1,1,0]=4 469 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [1,1,0,0,0,0|2,0,0]=4 470 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [1,1,0,0,0,0|2,0,0]=4 471 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [1,1,0,0,0,0|1,1,0]=4 472 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|0,0,0]=2 473 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [1,1,0,0,0,0|1,0,1]=4 474 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [1,1,0,0,0,0|1,0,1]=4 475 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|0,0,0]=2 476 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,1,0,0,0,0|1,0,0]=3 477 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,1,0,0,0,0|0,0,0]=2 478 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [1,1,0,0,0,0|1,0,1]=4 479 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [1,1,0,0,0,0|0,0,2]=4 480 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [1,1,0,0,0,0|0,0,2]=4 481 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [1,1,0,0,0,0|0,0,2]=4 482 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [1,1,0,0,0,0|0,0,0]=2 483 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [1,1,0,0,0,0|1,0,0]=3 484 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|0,0,0]=2 485 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [1,1,0,0,0,0|1,1,0]=4 486 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [1,1,0,0,0,0|1,0,1]=4 487 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [1,1,0,0,0,0|1,0,1]=4 488 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [1,1,0,0,0,0|0,1,1]=4 489 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [1,1,0,0,0,0|1,0,0]=3 490 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [1,1,0,0,0,0|1,0,1]=4 491 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [1,1,0,0,0,0|2,0,0]=4 493 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [1,1,0,0,0,0|2,0,0]=4 494 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [1,1,0,0,0,0|1,0,1]=4 495 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [1,1,0,0,0,0|2,0,0]=4 497 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [1,1,0,0,0,0|1,1,0]=4 498 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,1,0,0,0,0|1,0,0]=3 499 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,1,0,0,0,0|1,0,0]=3 500 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,1,0,0,0,0|0,1,0]=3 501 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,1,0,0,0,0|2,0,0]=4 502 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,1,0,0,0,0|2,0,0]=4 504 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,1,0,0,0,0|2,0,0]=4 505 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,1,0,0,0,0|2,0,0]=4 506 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|2,0,0]=4 507 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|2,0,0]=4 508 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [1,1,0,0,0,0|2,0,0]=4 509 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [1,1,0,0,0,0|2,0,0]=4 510 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [1,1,0,0,0,0|2,0,0]=4 511 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [1,1,0,0,0,0|2,0,0]=4 512 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [1,1,0,0,0,0|2,0,0]=4 513 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [1,1,0,0,0,0|2,0,0]=4 514 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [1,1,0,0,0,0|2,0,0]=4 515 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [1,1,0,0,0,0|2,0,0]=4 516 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [1,1,0,0,0,0|2,0,0]=4 517 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [1,1,0,0,0,0|2,0,0]=4 518 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [1,1,0,0,0,0|2,0,0]=4 519 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [1,1,0,0,0,0|2,0,0]=4 520 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [1,1,0,0,0,0|2,0,0]=4 521 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,1,0,0,0,0|2,0,0]=4 522 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [1,1,0,0,0,0|1,1,0]=4 523 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [1,1,0,0,0,0|1,1,0]=4 524 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [1,1,0,0,0,0|2,0,0]=4 525 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [1,1,0,0,0,0|2,0,0]=4 526 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [1,1,0,0,0,0|1,1,0]=4 527 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [1,1,0,0,0,0|1,0,0]=3 528 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [1,1,0,0,0,0|2,0,0]=4 529 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [1,1,0,0,0,0|2,0,0]=4 530 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [1,1,0,0,0,0|1,1,0]=4 531 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [1,1,0,0,0,0|1,0,0]=3 532 B7R0.1 CC#CCNCSC 41e4339950850a850e6af84422ffa207 [1,1,0,0,0,0|1,0,1]=4 533 B7R0.1 CC#CCOCSC d5aba0e06945bb4c7f9509ebe9e36870 [1,1,0,0,0,0|1,0,1]=4 534 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [1,1,0,0,0,0|2,0,0]=4 535 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [1,1,0,0,0,0|1,1,0]=4 536 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [1,1,0,0,0,0|1,0,0]=3 537 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [1,1,0,0,0,0|2,0,0]=4 538 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [1,1,0,0,0,0|1,1,0]=4 539 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [1,1,0,0,0,0|1,0,0]=3 540 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [1,1,0,0,0,0|1,0,1]=4 541 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [1,1,0,0,0,0|1,0,1]=4 542 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [1,1,0,0,0,0|1,0,1]=4 543 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [1,1,0,0,0,0|1,0,1]=4 544 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [1,1,0,0,0,0|1,0,1]=4 545 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [1,1,0,0,0,0|1,0,1]=4 546 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [1,1,0,0,0,0|1,0,1]=4 547 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [1,1,0,0,0,0|1,0,1]=4 548 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [1,1,0,0,0,0|1,0,1]=4 549 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [1,1,0,0,0,0|1,0,1]=4 550 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [1,1,0,0,0,0|1,0,1]=4 551 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [1,1,0,0,0,0|1,0,1]=4 552 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [1,1,0,0,0,0|2,0,0]=4 553 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [1,1,0,0,0,0|0,1,1]=4 554 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [1,1,0,0,0,0|0,0,1]=3 555 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [1,1,0,0,0,0|2,0,0]=4 556 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [1,1,0,0,0,0|1,0,1]=4 557 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [1,1,0,0,0,0|1,0,1]=4 558 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [1,1,0,0,0,0|0,1,1]=4 559 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [1,1,0,0,0,0|0,1,1]=4 560 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [1,1,0,0,0,0|0,0,1]=3 561 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [1,1,0,0,0,0|0,1,1]=4 562 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [1,1,0,0,0,0|0,0,1]=3 563 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [1,1,0,0,0,0|0,0,1]=3 564 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [1,1,0,0,0,0|0,0,1]=3 565 B7R0.1 CSCCCNCF 64d1184992451aa1884493fe4b590a70 [1,1,0,0,0,0|1,0,1]=4 566 B7R0.1 CSCCCNCO 0e35ff7cab5ce9b5f1fe3019d22ea16e [1,1,0,0,0,0|1,0,1]=4 567 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [1,1,0,0,0,0|0,0,1]=3 568 B7R0.1 CSCCNCCBr 0df0dd2a1b52ee00d918cc43b8e9fbfc [1,1,0,0,0,0|2,0,0]=4 569 B7R0.1 CSCCNCCF 1052905f572f53fc13be5d31c94895b3 [1,1,0,0,0,0|2,0,0]=4 570 B7R0.1 CSCCNCCI 071ae319a95453665d95a4320be239f1 [1,1,0,0,0,0|2,0,0]=4 571 B7R0.1 CSCCNCCO 98ea2c21875828fd22fee65d8b2ac707 [1,1,0,0,0,0|2,0,0]=4 572 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [1,1,0,0,0,0|2,0,0]=4 573 B7R0.1 CSCCNCSC c95d7134a711d4b488bdbefe6ca5bba2 [1,1,0,0,0,0|0,1,1]=4 574 B7R0.1 CSCCOCCF 6604e59cd9a52c5fe3d0c09fe9af7e44 [1,1,0,0,0,0|2,0,0]=4 575 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [1,1,0,0,0,0|2,0,0]=4 576 B7R0.1 CSCCOCSC 9519eec518244bf1271e0902542b4628 [1,1,0,0,0,0|0,1,1]=4 577 B7R0.1 CSCNCCON f945713b8e9f4296ef67e0e0bee29bdc [1,1,0,0,0,0|1,0,1]=4 578 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [1,1,0,0,0,0|2,0,0]=4 579 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [1,1,0,0,0,0|2,0,0]=4 580 B9R0.4 CCOCC(=O)OC(C)C a46f2e33e4c4b2ce3b4ebe5c5f8af7d8 [0,2,0,0,0,0|2,0,0]=4 581 B9R0.4 CSCCC(C)OC(C)C eaddea528e3549d504874d9a0e18465f [0,2,0,0,0,0|1,0,1]=4 582 B9R0.5 C#CCC(=O)NCCSC cdd6f18446a38968017631acdb359002 [0,2,0,0,0,0|1,0,1]=4 583 B9R0.5 C#CCCNC(=O)COC a493718bc4811424aba75655b83d6bc6 [0,2,0,0,0,0|1,0,1]=4 584 B9R0.5 C#CCNCC(=O)COC 09bc9ef90310647b19febc33ceb08e73 [0,2,0,0,0,0|1,0,1]=4 585 B9R0.5 C#CCNCC(=O)OCC 3caaed1b796817b3e6405fbf790c0d84 [0,2,0,0,0,0|1,0,1]=4 586 B9R0.5 C#CCOCC(=O)COC 4d51b110f53a3738ff377e659b9d5455 [0,2,0,0,0,0|1,0,1]=4 587 B9R0.5 C#CCOCC(=O)OCC 5491ddb425f5118c7f41ad7bdc7f8f32 [0,2,0,0,0,0|1,0,1]=4 588 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [0,2,0,0,0,0|2,0,0]=4 589 B9R0.5 C/C=C/C(=O)NCCOC 6e391f6495435144a973ce8834e3945b [0,2,0,0,0,0|1,1,0]=4 590 B9R0.5 C/C=C/C(=O)NCCSC 511f725aa22409925ae3fcaac286c68d [0,2,0,0,0,0|1,0,0]=3 591 B9R0.5 C=CCC(=O)NCCSC 2d83f3ff7ec8f12d75a5d560b20df0d6 [0,2,0,0,0,0|1,0,1]=4 592 B9R0.5 C=CCCNC(=O)COC ac90e32a3493ecd6e7c22c8335f2b22a [0,2,0,0,0,0|1,0,1]=4 593 B9R0.5 C=CCNCC(=O)OCC 9c75fab8aca43806fda755027554c371 [0,2,0,0,0,0|1,0,1]=4 594 B9R0.5 C=CCOCC(=O)OCC 9a263b5396d3bde89fbebf34ff6fb949 [0,2,0,0,0,0|1,0,1]=4 595 B9R0.5 C=COC(=O)CNCCC 3fcb2e78c6d37ddb589d8fb06a6c54d6 [0,2,0,0,0,0|1,0,1]=4 596 B9R0.5 C=COC(=O)COCCC 5f1ff34a229b00591eee62972bb38422 [0,2,0,0,0,0|1,0,1]=4 597 B9R0.5 C=COC(=O)COCOC 24ce59484e68b6ebaae58f61a71407ff [0,2,0,0,0,0|0,1,1]=4 598 B9R0.5 CC#CC(=O)NCCCC 41434018c71b7cd84c9c1094b4f5059d [0,2,0,0,0,0|2,0,0]=4 599 B9R0.5 CC#CC(=O)NCCOC e109e719ec3ba55977d548da72502b53 [0,2,0,0,0,0|1,1,0]=4 600 B9R0.5 CC#CC(=O)NCCSC d8202abac41ad881e3e466bef9502ebb [0,2,0,0,0,0|1,0,0]=3 601 B9R0.5 CC#CCNC(=O)COC c9262f48b050b2d37b09fd849d38d12a [0,2,0,0,0,0|1,0,1]=4 602 B9R0.5 CC=CCNC(=O)COC a1a4cd7248c5a0e045fc4c87be71c275 [0,2,0,0,0,0|1,0,1]=4 603 B9R0.5 CCCC(=O)COCOC 2e9034a32d4ad47f72112a5c4899eca9 [0,2,0,0,0,0|1,1,0]=4 604 B9R0.5 CCCC(=O)NCCOC d85beb1e2ae7c191540a491c38a5bdee [0,2,0,0,0,0|1,1,0]=4 605 B9R0.5 CCCC(=O)NCCSC a7f90a8bca211f42c79fa85f13ca66c5 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.5 CCCC(=S)OCCSC ea004ea4cab93907812e5d91a99ec056 [0,2,0,0,0,0|1,1,0]=4 607 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [0,2,0,0,0,0|2,0,0]=4 608 B9R0.5 CCCCNC(=O)CCF 53b9813d116057ff8c4b15658e94e51c [0,2,0,0,0,0|2,0,0]=4 609 B9R0.5 CCCCNC(=O)CCO 0298cd2468e4d9499261be651df2adcd [0,2,0,0,0,0|2,0,0]=4 610 B9R0.5 CCCCNC(=O)CCS 1641ac5db70e3fc675ef1771e3defee2 [0,2,0,0,0,0|2,0,0]=4 611 B9R0.5 CCCCNC(=O)COC 36ff378b0254a17f19e8bd23cda67723 [0,2,0,0,0,0|1,0,0]=3 612 B9R0.5 CCCCNC(=O)CON ff8aaf07597bc421ccecffa926ce5e77 [0,2,0,0,0,0|2,0,0]=4 613 B9R0.5 CCCCNC(=O)CSC fd9e07d4285a6169aceb5bd025ecd890 [0,2,0,0,0,0|1,1,0]=4 614 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [0,2,0,0,0,0|2,0,0]=4 615 B9R0.5 CCCNCC(=O)COC 9c76efdc9995e8503c8a81dc87078b10 [0,2,0,0,0,0|1,0,0]=3 616 B9R0.5 CCCNCC(=O)NCC ce07571aa3fa6f7b572f45c714e29f13 [0,2,0,0,0,0|2,0,0]=4 617 B9R0.5 CCCNCC(=O)NCO 0eb1e391e229900686c61210a46d0652 [0,2,0,0,0,0|2,0,0]=4 618 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [0,2,0,0,0,0|1,0,0]=3 619 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [0,2,0,0,0,0|2,0,0]=4 620 B9R0.5 CCCOCC(=O)COC 3d7dfb506e9c0757447f18e9df05797b [0,2,0,0,0,0|1,0,0]=3 621 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [0,2,0,0,0,0|2,0,0]=4 622 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [0,2,0,0,0,0|1,0,0]=3 623 B9R0.5 CCNC(=O)CNCOC 418fc9ea4e66286d14d012781355c640 [0,2,0,0,0,0|1,1,0]=4 624 B9R0.5 CCNC(=O)CNCSC 581cd0eb74e9a8a8bdc513b22d20213a [0,2,0,0,0,0|1,0,0]=3 625 B9R0.5 CCNC(=O)COCOC f4b52e7b701729895cf1ba81b82493e5 [0,2,0,0,0,0|1,1,0]=4 626 B9R0.5 CCNC(=O)COCSC 36a6937f66bbc3380df8d44f8b9020d8 [0,2,0,0,0,0|1,0,0]=3 627 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [0,2,0,0,0,0|1,0,0]=3 628 B9R0.5 CCOC(=O)CCNC#N 2970a7082d564ca9a0ac60d8e6dde822 [0,2,0,0,0,0|1,0,1]=4 629 B9R0.5 CCOC(=O)CCNC=O f014a3a016d6b2ab3edecfa8ad9e1400 [0,2,0,0,0,0|1,0,1]=4 630 B9R0.5 CCOC(=O)CCNCF dc0e8e938f3e0f9376067101916fab11 [0,2,0,0,0,0|1,0,0]=3 631 B9R0.5 CCOC(=O)CCNCO 0d43318aba0286304d28e6f5f875b75e [0,2,0,0,0,0|1,0,0]=3 632 B9R0.5 CCOC(=O)CCOCF b923097280e6d745523067d0f7821723 [0,2,0,0,0,0|0,1,0]=3 633 B9R0.5 CCOC(=O)CNCC#N 57c0a5d0ba92ba22cb60b1db3fae37f4 [0,2,0,0,0,0|2,0,0]=4 634 B9R0.5 CCOC(=O)CNCC=O 13639f7e3d69faa2001497754bfed8b5 [0,2,0,0,0,0|2,0,0]=4 635 B9R0.5 CCOC(=O)CNCCBr 2d8ed3ea34766b7d343241f665b80229 [0,2,0,0,0,0|2,0,0]=4 636 B9R0.5 CCOC(=O)CNCCF 99d39e110ac23618c63f1317b2282cce [0,2,0,0,0,0|2,0,0]=4 637 B9R0.5 CCOC(=O)CNCCI 75072515d706cd5c15a349fb418110fa [0,2,0,0,0,0|2,0,0]=4 638 B9R0.5 CCOC(=O)CNCCO a3891831c63b1d5fc3c5a1b6e875e04a [0,2,0,0,0,0|2,0,0]=4 639 B9R0.5 CCOC(=O)CNCCS 2d2d40dfd5cc8614b9490097a11bc9af [0,2,0,0,0,0|2,0,0]=4 640 B9R0.5 CCOC(=O)CNCOC 3338587ded14e7c228302d0aec1db622 [0,2,0,0,0,0|0,1,0]=3 641 B9R0.5 CCOC(=O)CNCSC 83cee1aea68795d140c24e1cd1c34d73 [0,2,0,0,0,0|0,0,0]=2 642 B9R0.5 CCOC(=O)COCC#N c09a17fd9d8768b76ffa5a569bc14f50 [0,2,0,0,0,0|2,0,0]=4 643 B9R0.5 CCOC(=O)COCC=O 934135784a2711e60bdbd22faf98fe13 [0,2,0,0,0,0|2,0,0]=4 644 B9R0.5 CCOC(=O)COCCF 8ab9a071055414651ab59279d1d89a94 [0,2,0,0,0,0|2,0,0]=4 645 B9R0.5 CCOC(=O)COCCS 5b2c52a4049396ac0e633dc62c60b2f2 [0,2,0,0,0,0|2,0,0]=4 646 B9R0.5 CCOC(=O)COCOC cae80a72de3b9dd4c77bad68b601ad39 [0,2,0,0,0,0|0,1,0]=3 647 B9R0.5 CCOC(=O)COCSC d1c9bb1a8c14847f19476af8bd4e260f [0,2,0,0,0,0|0,0,0]=2 648 B9R0.5 CCOC(C)CNCSC 78b9dee1b7512ba716dc08fb20c51df4 [0,2,0,0,0,0|1,0,1]=4 649 B9R0.5 CCOC(C)COCSC 5bca448d87a75d6304bc9a4f11e6dc4e [0,2,0,0,0,0|1,0,1]=4 650 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [0,2,0,0,0,0|0,1,0]=3 651 B9R0.5 CCSCCC(=O)NC#N 7e230a024776180aa692714162a233fe [0,2,0,0,0,0|1,0,1]=4 652 B9R0.5 COCC(=O)CNCC#N 84d31d1ea3c0ebd9a1acc2b01a378755 [0,2,0,0,0,0|2,0,0]=4 653 B9R0.5 COCC(=O)CNCCI de001d33d2a83ecbcdbf60168bdb71b4 [0,2,0,0,0,0|2,0,0]=4 654 B9R0.5 COCC(=O)CNCCO 2826556ba2b391e97043cba9d2c76ebb [0,2,0,0,0,0|2,0,0]=4 655 B9R0.5 COCC(=O)CNCCS 998c86e7067a208995617aaf569ee24d [0,2,0,0,0,0|2,0,0]=4 656 B9R0.5 COCC(=O)COCC#N 1e6c1323799853bf48d83e7b4c9d41c1 [0,2,0,0,0,0|2,0,0]=4 657 B9R0.5 COCC(=O)COCCS 4c50ce8dad8eb47119f9c3bca158fc1a [0,2,0,0,0,0|2,0,0]=4 658 B9R0.5 COCC(=O)NCCC#N 4d01199aa77a8f287cf546255125fe45 [0,2,0,0,0,0|2,0,0]=4 659 B9R0.5 COCC(=O)NCCCCl 9b8e00a91bd11b43b2cced22d7f8490f [0,2,0,0,0,0|2,0,0]=4 660 B9R0.5 COCC(=O)NCCCO 8066d497a25e88f2387cdf27e9376a33 [0,2,0,0,0,0|2,0,0]=4 661 B9R0.5 COCC(=O)NCCON daa0b92b382c41955505069479aa56db [0,2,0,0,0,0|1,1,0]=4 662 B9R0.5 COCC(=O)NCCSC ae9802b73da9588e64754d62c956dbe2 [0,2,0,0,0,0|0,0,0]=2 663 B9R0.5 COCC(C)COCSC a624a1210dd5d761c4100cbd9f874d6b [0,2,0,0,0,0|1,0,1]=4 664 B9R0.5 COCC(C)NCCSC 8a2d83bb9df133e55c17e43691585457 [0,2,0,0,0,0|1,0,1]=4 665 B9R0.5 COCC(C)OCCSC 4ad36be4022714614597cf6be1fb6b46 [0,2,0,0,0,0|1,0,1]=4 666 B9R0.5 COCC(O)CNCSC 185bae4096e3eb75ddf7e74cfb97efae [0,2,0,0,0,0|0,0,2]=4 667 B9R0.5 COCCNC(=O)CCF 703c6442db6e4c16b32cf0385fe1f071 [0,2,0,0,0,0|1,1,0]=4 668 B9R0.5 COCCNC(=O)CCO da506b7eb06569e31b2bdbe6c4e1e62a [0,2,0,0,0,0|1,1,0]=4 669 B9R0.5 COCCNC(=O)CCS b8ee435c0e502f7ec824944f584c26af [0,2,0,0,0,0|1,1,0]=4 670 B9R0.5 COCCNC(=O)COC b53dbf929afbe9b06300c313013c1089 [0,2,0,0,0,0|0,1,0]=3 671 B9R0.5 COCCNC(=O)CON e64f36108eff0def1c33c6738bec620e [0,2,0,0,0,0|1,1,0]=4 672 B9R0.5 COCCNC(=O)CSC 3a940bbcc690a26481b40d716f51d75b [0,2,0,0,0,0|0,2,0]=4 673 B9R0.5 COCOCC(=O)COC 7449521e3687d4ca34f0ee79710cdd82 [0,2,0,0,0,0|0,1,0]=3 674 B9R0.5 COC[C@@H](C)NCCSC 5500d32a6a35864280e74ee0f0adfb56 [0,2,0,0,0,0|1,0,1]=4 675 B9R0.5 COC[C@@H](C)OCCSC ad806fa6343d16ccd8245838f952bdde [0,2,0,0,0,0|1,0,1]=4 676 B9R0.5 COC[C@@H](O)CNCSC c9ff80418f9464f64c2ddc6e448f6b2c [0,2,0,0,0,0|0,0,2]=4 677 B9R0.5 COC[C@H](C)COCSC 8d47dd89387d74aef86dfb118a66ff1f [0,2,0,0,0,0|1,0,1]=4 678 B9R0.5 COC[C@H](C)NCCSC 173f1b918ece43c258f3220f3ed7abea [0,2,0,0,0,0|1,0,1]=4 679 B9R0.5 COC[C@H](C)OCCSC 51d5b1a85d1808678167f1e587a20a9f [0,2,0,0,0,0|1,0,1]=4 680 B9R0.5 CSCCCC(=O)NC#N 809bb9216624e85d23b4ec47938a3aba [0,2,0,0,0,0|1,0,1]=4 681 B9R0.5 CSCCNC(=O)/C=C/Br 3640888caacfe8619c8741c27ce0e857 [0,2,0,0,0,0|1,0,1]=4 682 B9R0.5 CSCCNC(=O)/C=C/Cl fda091216fa08dd498a5298c202753fe [0,2,0,0,0,0|1,0,1]=4 683 B9R0.5 CSCCNC(=O)/C=C/I f1b5e50260ea0b9599ae13c2d49f9a97 [0,2,0,0,0,0|1,0,1]=4 684 B9R0.5 CSCCNC(=O)/C=C\Br 58764ee02ea347cad1deff28826d8247 [0,2,0,0,0,0|1,0,1]=4 685 B9R0.5 CSCCNC(=O)/C=C\Cl acaf3366deb5428329269f6d5a016a63 [0,2,0,0,0,0|1,0,1]=4 686 B9R0.5 CSCCNC(=O)/C=C\I 36b2ed37a089b5873bc86e87815a902b [0,2,0,0,0,0|1,0,1]=4 687 B9R0.5 CSCCNC(=O)C#CBr cf6a3677263bfc4a03045d3e05a5711f [0,2,0,0,0,0|1,0,1]=4 688 B9R0.5 CSCCNC(=O)C=CBr cfcb527c4e8af2dd8428ac482e58591e [0,2,0,0,0,0|1,0,1]=4 689 B9R0.5 CSCCNC(=O)C=CI 465cedb7041039eb8a06c6abc5b6fdf3 [0,2,0,0,0,0|1,0,1]=4 690 B9R0.5 CSCCNC(=O)CC#N 5bfbd90103b8a3d5037b8ad799561aa7 [0,2,0,0,0,0|1,0,1]=4 691 B9R0.5 CSCCNC(=O)CC=O b34a42cb893ad3b4e843f506c4e63d42 [0,2,0,0,0,0|1,0,1]=4 692 B9R0.5 CSCCNC(=O)CCF 976855bf6bbc92279851c6db72b3fe06 [0,2,0,0,0,0|1,0,0]=3 693 B9R0.5 CSCCNC(=O)CCO 43f57de6b29a2d1d41363767bdf0c9f1 [0,2,0,0,0,0|1,0,0]=3 694 B9R0.5 CSCCNC(=O)CCS cc2a240397388430a40e2a34c43c5050 [0,2,0,0,0,0|1,0,0]=3 695 B9R0.5 CSCCNC(=O)CON fe5786406220ccbcd54bd35905f73b29 [0,2,0,0,0,0|1,0,0]=3 696 B9R0.5 CSCCNC(=O)CSC 2dbace4ea8ec9c7a8b0a6a20b93d81ea [0,2,0,0,0,0|0,1,0]=3 697 B9R0.5 CSCCNC(=O)NC#N 7c2d1af67245b7741bc2c68b274f662d [0,2,0,0,0,0|1,0,1]=4 698 B9R0.5 CSSCCC(=O)NC#N 27ebd14fe6daa70e417579b2cb3fa74d [0,2,0,0,0,0|1,0,1]=4 699 B9R0.8 C#CC(=O)N(C)CCSC 9c1c34841cb6008fc5131a358e0d48f5 [0,2,0,0,0,0|1,0,1]=4 700 B9R0.8 C#CCNC(C)C(=O)OC 79493a8714d347ee0d461b9b042951bb [0,2,0,0,0,0|1,0,1]=4 701 B9R0.8 C#CCN[C@@H](C)C(=O)OC 8b8f97a83c723d443b206638bfb34ea5 [0,2,0,0,0,0|1,0,1]=4 702 B9R0.8 C#CCN[C@H](C)C(=O)OC 86cd9bde80b45cd85e071a58d37ec0b4 [0,2,0,0,0,0|1,0,1]=4 703 B9R0.8 C#CCOC(C)C(=O)OC cd145511d3569e22f0340b1c4bdbc77e [0,2,0,0,0,0|1,0,1]=4 704 B9R0.8 C#CCO[C@@H](C)C(=O)OC 14e66cc1de076cf8124483d618acb933 [0,2,0,0,0,0|1,0,1]=4 705 B9R0.8 C#CCO[C@H](C)C(=O)OC 9cd4c2dd8efdf42c441a65cb6361db43 [0,2,0,0,0,0|1,0,1]=4 706 B9R0.8 C=C(COCC)C(=O)OC ae9c69942d2175975ce6919e23e76991 [0,2,0,0,0,0|0,1,1]=4 707 B9R0.8 C=C(COCF)C(=O)OC 9fb9e20113e074bcf1b9aa06545d64b4 [0,2,0,0,0,0|0,1,1]=4 708 B9R0.8 C=CC(=O)N(C)CCSC 678c2a94ed9ef7a615308b14c2ecd056 [0,2,0,0,0,0|1,0,1]=4 709 B9R0.8 C=CCOC(C)C(=O)OC 0a7875fb2a25b273f84335b6e58236de [0,2,0,0,0,0|1,0,1]=4 710 B9R0.8 C=CCO[C@@H](C)C(=O)OC 88d79d5d7d17fe2b83159311c71ded61 [0,2,0,0,0,0|1,0,1]=4 711 B9R0.8 C=CCO[C@H](C)C(=O)OC d121fcdbf30bfc10a7ac2529b9eaad73 [0,2,0,0,0,0|1,0,1]=4 712 B9R0.8 CCC(=O)C(C)OCOC 3addba24d482e33b3f3ace5923030d28 [0,2,0,0,0,0|1,1,0]=4 713 B9R0.8 CCC(=O)N(C)CCOC f7bd9d478d8c782d3736c126b1486194 [0,2,0,0,0,0|1,1,0]=4 714 B9R0.8 CCC(=O)N(C)CCSC aab6c2a6f5f967173dcbf121b5f2b04a [0,2,0,0,0,0|1,0,0]=3 715 B9R0.8 CCCCC(=O)N(C)CC 3b76ee884ca3badac26f8203708e917a [0,2,0,0,0,0|2,0,0]=4 716 B9R0.8 CCCCN(C)C(=O)CC 0e002209ec811d39c4d1fc3cb831356f [0,2,0,0,0,0|2,0,0]=4 717 B9R0.8 CCCNC(=O)C(=O)OC 4b33c548ce70d1a847225c6eb880f588 [0,2,0,0,0,0|1,0,1]=4 718 B9R0.8 CCCNC(=O)C(C)OC 009dd3829fd7f640327de48ee647ac3e [0,2,0,0,0,0|2,0,0]=4 719 B9R0.8 CCCNC(=O)[C@@H](C)OC f19ba5ac19918fafa2b05b77a0c30d45 [0,2,0,0,0,0|2,0,0]=4 720 B9R0.8 CCCNC(=O)[C@H](C)OC 2e8ae98230847236ad2d28191ce3bb9e [0,2,0,0,0,0|2,0,0]=4 721 B9R0.8 CCCNC(C)C(=O)CC 0217f82457b5f9eb91d7c99d41f3f7e0 [0,2,0,0,0,0|2,0,0]=4 722 B9R0.8 CCCNC(C)C(=O)NC 7e671fb821570ee51777de2cb4346876 [0,2,0,0,0,0|2,0,0]=4 723 B9R0.8 CCCNC(C)C(=O)OC 31247040e57fcd82f8a5006ea35f44b3 [0,2,0,0,0,0|1,0,0]=3 724 B9R0.8 CCCN[C@@H](C)C(=O)OC 59d491ac2868b6f8a0c3d1e8728d0ebe [0,2,0,0,0,0|1,0,0]=3 725 B9R0.8 CCCN[C@H](C)C(=O)OC 341714f23671a6f279f2ba9d2fc394e9 [0,2,0,0,0,0|1,0,0]=3 726 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,2,0,0,0,0|2,0,0]=4 727 B9R0.8 CCCOC(C)C(=O)NC 6c6db500b3d123e7885d4c8a3542da86 [0,2,0,0,0,0|2,0,0]=4 728 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,2,0,0,0,0|1,0,0]=3 729 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,2,0,0,0,0|1,0,0]=3 730 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,2,0,0,0,0|1,0,0]=3 731 B9R0.8 CCN(C)C(=O)CCOC 12efcb8903fa8774b65e426d72faaa46 [0,2,0,0,0,0|1,1,0]=4 732 B9R0.8 CCN(C)C(=O)CCSC fb6bfe34974fe6f4d63bc1e3eca693e5 [0,2,0,0,0,0|1,0,0]=3 733 B9R0.8 CCN(C)C(=O)CSSC 307bc8251e5134ef58a6ce58ce16fae2 [0,2,0,0,0,0|2,0,0]=4 734 B9R0.8 CCNCC(C)C(=O)OC 23788628878427ebf06f8ab1848fc209 [0,2,0,0,0,0|1,0,0]=3 735 B9R0.8 CCOCC(C)C(=O)OC 80236c9332b15389a08a7441e9591cd6 [0,2,0,0,0,0|0,1,0]=3 736 B9R0.8 CCOCC(F)C(=O)OC 293289f16cf9b946a849bc2001cde08d [0,2,0,0,0,0|0,1,0]=3 737 B9R0.8 CCOC[C@@H](C)C(=O)OC 906e0220267f0d94eef2fb7d2be7e97d [0,2,0,0,0,0|0,1,0]=3 738 B9R0.8 CCOC[C@H](C)C(=O)OC d76376f8be763bf61f075f3cd3189478 [0,2,0,0,0,0|0,1,0]=3 739 B9R0.8 CNC(=O)C(C)NCOC f457961c38fd2aae6d29e1b3fd385826 [0,2,0,0,0,0|1,1,0]=4 740 B9R0.8 CNC(=O)C(C)NCSC ea1716faf340f1818806a7abcc0c6840 [0,2,0,0,0,0|1,0,0]=3 741 B9R0.8 COC(=O)C(C)CNC#N 47351a0c5ed270af094358da8ef45703 [0,2,0,0,0,0|1,0,1]=4 742 B9R0.8 COC(=O)C(C)CNC=O 08ab41b0f2d4b1534c0f9bd051c36c82 [0,2,0,0,0,0|1,0,1]=4 743 B9R0.8 COC(=O)C(C)CNCF cb798ae47354359e4aa3ce08e5780b21 [0,2,0,0,0,0|1,0,0]=3 744 B9R0.8 COC(=O)C(C)CNCO 39ae0c3a7f42291995fad179d22a5a37 [0,2,0,0,0,0|1,0,0]=3 745 B9R0.8 COC(=O)C(C)COCF 44c811abb8c01f8301de11413ac270b8 [0,2,0,0,0,0|0,1,0]=3 746 B9R0.8 COC(=O)C(C)NCC#N f08d4fdbcc4eb133ab632275c153f6a3 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.8 COC(=O)C(C)NCCBr 318217e792ebb1d973731bba243d49af [0,2,0,0,0,0|2,0,0]=4 748 B9R0.8 COC(=O)C(C)NCCF 71d141bda7d2e6224ae3a7dfa1cc21b5 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.8 COC(=O)C(C)NCCI 808cf0c74c9ef45588975ce10780d025 [0,2,0,0,0,0|2,0,0]=4 750 B9R0.8 COC(=O)C(C)NCCO 3704bd53df6df337c4b06e83d714ea07 [0,2,0,0,0,0|2,0,0]=4 751 B9R0.8 COC(=O)C(C)NCCS d967f38e4459ed498d224e4b3cdd61d6 [0,2,0,0,0,0|2,0,0]=4 752 B9R0.8 COC(=O)C(C)OCC#N b8c7a08fa202e0cca2d3921c24270ded [0,2,0,0,0,0|2,0,0]=4 753 B9R0.8 COC(=O)C(C)OCC=O 544d16fbbef4927eadcf41fbbdf31009 [0,2,0,0,0,0|2,0,0]=4 754 B9R0.8 COC(=O)C(C)OCCF 100059756fd900098c62556a2ae1ce35 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.8 COC(=O)C(C)OCCS e7025bf903a8d5f820d0296de478345d [0,2,0,0,0,0|2,0,0]=4 756 B9R0.8 COC(=O)C(C)OCSC ebd918713d697a3d130a3e5b592f95ea [0,2,0,0,0,0|0,0,0]=2 757 B9R0.8 COC(=O)C(F)COCF 2dc6959195a5fe8d4df94c060794b142 [0,2,0,0,0,0|0,1,0]=3 758 B9R0.8 COC(=O)C(O)CNC#N f3ec49120b183617e89509191346e178 [0,2,0,0,0,0|1,0,1]=4 759 B9R0.8 COC(=O)[C@@H](C)CNC#N d020303d424b8630e827e3884d162e09 [0,2,0,0,0,0|1,0,1]=4 760 B9R0.8 COC(=O)[C@@H](C)COCF 1a2bfc633e0045cecdf11723a1d5a8ff [0,2,0,0,0,0|0,1,0]=3 761 B9R0.8 COC(=O)[C@@H](C)NCC#N 9a1a982e5ecc8763e7fd5f330da8c87a [0,2,0,0,0,0|2,0,0]=4 762 B9R0.8 COC(=O)[C@@H](C)NCCBr a7727686203549a3c6c9f0e726c31918 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.8 COC(=O)[C@@H](C)NCCF 854f6045fdda5f63c114321a012dcb77 [0,2,0,0,0,0|2,0,0]=4 764 B9R0.8 COC(=O)[C@@H](C)NCCI bff6d9e508b7c6d11972d1a2df59cf2b [0,2,0,0,0,0|2,0,0]=4 765 B9R0.8 COC(=O)[C@@H](C)NCCO b68c9ce4d70e10c92b29d39f736b232c [0,2,0,0,0,0|2,0,0]=4 766 B9R0.8 COC(=O)[C@@H](C)NCCS 16fd58839d6241df4620a33b0b32294f [0,2,0,0,0,0|2,0,0]=4 767 B9R0.8 COC(=O)[C@@H](C)OCC#N 2d5df1c12733f602f863ea4b764b26eb [0,2,0,0,0,0|2,0,0]=4 768 B9R0.8 COC(=O)[C@@H](C)OCC=O 3fa6ef2247221ceccdf82915172d9dd4 [0,2,0,0,0,0|2,0,0]=4 769 B9R0.8 COC(=O)[C@@H](C)OCCF d1c1991f25a8b884548cfd60d33876dd [0,2,0,0,0,0|2,0,0]=4 770 B9R0.8 COC(=O)[C@@H](C)OCCS 9ef70f4f282a66cce9dfb1e835575055 [0,2,0,0,0,0|2,0,0]=4 771 B9R0.8 COC(=O)[C@@H](C)OCSC 28e79a44863d047cc528276a78c0c9cd [0,2,0,0,0,0|0,0,0]=2 772 B9R0.8 COC(=O)[C@H](C)CNC#N 71434f13b9fe517e9aa675c0bf6dfd95 [0,2,0,0,0,0|1,0,1]=4 773 B9R0.8 COC(=O)[C@H](C)COCF 2f05fad9d2d30bccec9db2790e196eb9 [0,2,0,0,0,0|0,1,0]=3 774 B9R0.8 COC(=O)[C@H](C)NCC#N e11abdcf62651e521fc666960c5a413f [0,2,0,0,0,0|2,0,0]=4 775 B9R0.8 COC(=O)[C@H](C)NCCBr 931d0ff08d117885f89eb4b7587512d9 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.8 COC(=O)[C@H](C)NCCF 74e88c5906e78f07303f636bab0e6889 [0,2,0,0,0,0|2,0,0]=4 777 B9R0.8 COC(=O)[C@H](C)NCCI 8a19482f865475e7e3188051cf1bf197 [0,2,0,0,0,0|2,0,0]=4 778 B9R0.8 COC(=O)[C@H](C)NCCO cdd55a005482a8e8a4c2e356ff4de70b [0,2,0,0,0,0|2,0,0]=4 779 B9R0.8 COC(=O)[C@H](C)NCCS 908f3e3fb039ce6a81955ab5f0462302 [0,2,0,0,0,0|2,0,0]=4 780 B9R0.8 COC(=O)[C@H](C)OCC#N ab508d98c49678dbcfcdfbef7a0754e0 [0,2,0,0,0,0|2,0,0]=4 781 B9R0.8 COC(=O)[C@H](C)OCC=O 2b1944f43b7a0d9412d824c87b148e35 [0,2,0,0,0,0|2,0,0]=4 782 B9R0.8 COC(=O)[C@H](C)OCCF 29fbfe09a06b54c89987b94c571cc4e4 [0,2,0,0,0,0|2,0,0]=4 783 B9R0.8 COC(=O)[C@H](C)OCCS cacca195083b683b3e20b6ded7274a88 [0,2,0,0,0,0|2,0,0]=4 784 B9R0.8 COC(=O)[C@H](C)OCSC 18a62ed2db31e4b687bb63a6d3283424 [0,2,0,0,0,0|0,0,0]=2 785 B9R0.8 COC(C)C(C)OCSC 4849201aad273ba020eb621c1c192fb9 [0,2,0,0,0,0|1,0,1]=4 786 B9R0.8 COCOC(C)C(=O)OC 9848f05d221db1285aa396c5cdb54009 [0,2,0,0,0,0|0,1,0]=3 787 B9R0.8 COCO[C@@H](C)C(=O)OC d3164128e1fe62adbc450c7289f3cf7d [0,2,0,0,0,0|0,1,0]=3 788 B9R0.8 COCO[C@H](C)C(=O)OC 17521579f3e79d24afec0b769bf2889d [0,2,0,0,0,0|0,1,0]=3 789 B9R0.8 CSCCN(C)C(=O)C=O b6062168d5c130d510edba05705a19b6 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.8 CSCCN(C)C(=O)CF 30138cc738fe153c7dc4905c7992f55d [0,2,0,0,0,0|2,0,0]=4 791 B9R0.8 CSCCN(C)C(=O)CO 82f74320f315c444aa3bc2b7091c9fd8 [0,2,0,0,0,0|2,0,0]=4 792 B9R0.8 CSCCN(C)C(=O)CS 3b3e818ac6200d69e4af12be898541f0 [0,2,0,0,0,0|2,0,0]=4 793 B9R0.18 C#CCNC(=O)CCCC 3d3f3bc88905304d134b4af31dd48618 [0,2,0,0,0,0|2,0,0]=4 794 B9R0.18 C#CCNC(=O)CCOC 542936251c1cae785d3b607c3ca7387c [0,2,0,0,0,0|1,1,0]=4 795 B9R0.18 C#CCNC(=O)CCSC 7086aa684322ccec2c3e4260dd7fcb4d [0,2,0,0,0,0|1,0,0]=3 796 B9R0.18 C#CCNC(=O)CSSC d43acaf6a99ed016a41596873cb19592 [0,2,0,0,0,0|2,0,0]=4 797 B9R0.18 C#CCOC(C)CCSC cb7acaaf119a49f1ba868faafe59db9d [0,2,0,0,0,0|1,0,1]=4 798 B9R0.18 C=CCOC(C)CCSC c718e5cdece70b71b1fcdd31f660a068 [0,2,0,0,0,0|1,0,1]=4 799 B9R0.18 CCCCC(=O)NCC#N 647f3326e822a65de00523bd57231ccf [0,2,0,0,0,0|2,0,0]=4 800 B9R0.18 CCCCC(=O)NCCBr 8af219e0e77c4fc0ca9d539df0908bd7 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.18 CCCCC(=O)NCCC b85686110cd08860fec3169645c4d3bc [0,2,0,0,0,0|2,0,0]=4 802 B9R0.18 CCCCC(=O)NCCF b275f982f0ad827f00e9f57eb71a2f59 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.18 CCCCC(=O)NCCI 9863fe9ac927a6229bfaad02f965a727 [0,2,0,0,0,0|2,0,0]=4 804 B9R0.18 CCCCC(=O)NCCO 7ece651dd2827f5e83d2c51f7847968d [0,2,0,0,0,0|2,0,0]=4 805 B9R0.18 CCCCC(=O)NCCS 7815db24b5b4c021be3fed7542d4cbf1 [0,2,0,0,0,0|2,0,0]=4 806 B9R0.18 CCCNC(=O)/C=C/OC c5592272967d4efa44d6fb8a54bb72ea [0,2,0,0,0,0|2,0,0]=4 807 B9R0.18 CCCNC(=O)C=COC a5c0f3873625ddeaddcb2b26ccbd1309 [0,2,0,0,0,0|2,0,0]=4 808 B9R0.18 CCCNC(=O)CCOC 6cd117ddc5922928321b15c7b6e23d01 [0,2,0,0,0,0|1,1,0]=4 809 B9R0.18 CCCNC(=O)CCSC 37189979a283ab62744d36502a721481 [0,2,0,0,0,0|1,0,0]=3 810 B9R0.18 CCCNC(=O)COCC 8f39e652af99ce623f6f9a406b6adee9 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.18 CCCNC(=O)CSSC 8af2df8b10dc9638c50f82a7925427c1 [0,2,0,0,0,0|2,0,0]=4 812 B9R0.18 CCCOC(C)CCSC 73142708a2860b7c297104e6b288642f [0,2,0,0,0,0|1,0,1]=4 813 B9R0.18 CCOCN(C)CCSC 96d8a321121f97c1fc972bb132e56323 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.18 COCCC(=O)NCC#N 1b9d719f45780bc015d2f0f0b198c090 [0,2,0,0,0,0|1,1,0]=4 815 B9R0.18 COCCC(=O)NCCBr f130c056ed3790213fdd2960494db613 [0,2,0,0,0,0|1,1,0]=4 816 B9R0.18 COCCC(=O)NCCF 3b79550f64f4a7039b2c4be8e9b846c4 [0,2,0,0,0,0|1,1,0]=4 817 B9R0.18 COCCC(=O)NCCI a733b34d537a87c545ba48cdc7acc291 [0,2,0,0,0,0|1,1,0]=4 818 B9R0.18 COCCC(=O)NCCO b5e285b41937c9aa98027cb971fe056b [0,2,0,0,0,0|1,1,0]=4 819 B9R0.18 COCCC(=O)NCCS a993c904600b344252bc84f04a69db79 [0,2,0,0,0,0|1,1,0]=4 820 B9R0.18 COCCN(C)CCSC 46dd6992be4a81884b22e8085e26092b [0,2,0,0,0,0|2,0,0]=4 821 B9R0.18 CSCCC(=O)CNC#N 41b1f9f08cdcac4f0046b113fba686df [0,2,0,0,0,0|1,0,1]=4 822 B9R0.18 CSCCC(=O)NCC#N 7a03f529e7e14acc3e7cdf4cbee9a488 [0,2,0,0,0,0|1,0,0]=3 823 B9R0.18 CSCCC(=O)NCCBr ea08a7bfbf45e1f8a38b3f26dca6c117 [0,2,0,0,0,0|1,0,0]=3 824 B9R0.18 CSCCC(=O)NCCF 6f7acbde84975c223e97e32c1cc35da8 [0,2,0,0,0,0|1,0,0]=3 825 B9R0.18 CSCCC(=O)NCCI 93f1353dc20c43b8184cf13e3552539a [0,2,0,0,0,0|1,0,0]=3 826 B9R0.18 CSCCC(=O)NCCO cd589d7a0e4d026a26420d69f13f3bd8 [0,2,0,0,0,0|1,0,0]=3 827 B9R0.18 CSCCC(=O)NCCS fe572177d565b550f9b6d1c54b01450c [0,2,0,0,0,0|1,0,0]=3 828 B9R0.18 CSCCC(C)OCC#N 9d81f5786c87761d5b23755944592fc5 [0,2,0,0,0,0|1,0,1]=4 829 B9R0.18 CSCCC(C)OCC=O 1beb2ad0681904a21447ab254d6c6257 [0,2,0,0,0,0|1,0,1]=4 830 B9R0.18 CSCCC(C)OCCF 7958bc388daebbc4b4c6242d21ae3a47 [0,2,0,0,0,0|1,0,1]=4 831 B9R0.18 CSCCC(C)OCCS 3c871f2597540a05c3984907234db18b [0,2,0,0,0,0|1,0,1]=4 832 B9R0.18 CSCCC(C)OCSC ee2bc520039b1d67636371da812c9808 [0,2,0,0,0,0|1,0,1]=4 833 B9R0.18 CSSCC(=O)NCC#N 59061452b7c61b1a343ba2d74bae1e7e [0,2,0,0,0,0|2,0,0]=4 834 B9R0.18 CSSCC(=O)NCCBr 7aeab67d520ef9d3b62c3e1e1d375865 [0,2,0,0,0,0|2,0,0]=4 835 B9R0.18 CSSCC(=O)NCCF aabda97110c3e64bc73d5ac3d226b7f1 [0,2,0,0,0,0|2,0,0]=4 836 B9R0.18 CSSCC(=O)NCCI af2295c42b68ef707b3dd97562c3d235 [0,2,0,0,0,0|2,0,0]=4 837 B9R0.18 CSSCC(=O)NCCO d93786c470c8be236b53f6ec772c4301 [0,2,0,0,0,0|2,0,0]=4 838 B9R0.18 CSSCC(=O)NCCS 674fb9647bb10c7e14142dc05ea001bd [0,2,0,0,0,0|2,0,0]=4 839 B9R0.34 C#CCN(C)CC(=O)OC bec8bb6e750bee07ee53d35c56adbcd3 [0,2,0,0,0,0|1,0,1]=4 840 B9R0.34 C=C(CN(C)CCC)OC 4b1347482598cf292a1ac84b6f7cec98 [0,2,0,0,0,0|2,0,0]=4 841 B9R0.34 C=CCN(C)CC(=O)OC f2e9736a5a1e55a617f4ebb315071d59 [0,2,0,0,0,0|1,0,1]=4 842 B9R0.34 CCC(=O)NC(C)COC 9d038691261b178e2c31a5ae222e85e5 [0,2,0,0,0,0|1,1,0]=4 843 B9R0.34 CCC(=O)N[C@@H](C)COC 18b9f52b18f606df44997eabf4ae8872 [0,2,0,0,0,0|1,1,0]=4 844 B9R0.34 CCC(=O)N[C@H](C)COC 4456c5ca59fc7a24d1313850c49ec7c2 [0,2,0,0,0,0|1,1,0]=4 845 B9R0.34 CCC(C)NC(=O)COC 16f2a377fe0f0e899c23e3908d3f7f10 [0,2,0,0,0,0|2,0,0]=4 846 B9R0.34 CCCC(C)NC(=O)CC 1c5e7d013b6d8314fad6ff12635fab4a [0,2,0,0,0,0|2,0,0]=4 847 B9R0.34 CCCN(C)CC(=O)CC c80c7d6de1d5253ede7d75a7d9fc6b4c [0,2,0,0,0,0|2,0,0]=4 848 B9R0.34 CCCN(C)CC(=O)NC d85e1507ae005559e38ddcbdbef008c1 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.34 CCCN(C)CC(=O)OC c724ec5b9ab34c00a457a6a511b7bf14 [0,2,0,0,0,0|1,0,0]=3 850 B9R0.34 CCC[C@H](C)NC(=O)CC ad5f66cc617489af6f8b7c428b7d7795 [0,2,0,0,0,0|2,0,0]=4 851 B9R0.34 CCN(C)CC(=O)COC c71c185d9ff1671c026b501ccf0bd57f [0,2,0,0,0,0|2,0,0]=4 852 B9R0.34 CCNC(C)CC(=O)OC 8f5a36e5208499c391d24b252a12bf38 [0,2,0,0,0,0|1,0,0]=3 853 B9R0.34 CCN[C@@H](C)CC(=O)OC 9e23f1bf52061ebf026cb501e421df05 [0,2,0,0,0,0|1,0,0]=3 854 B9R0.34 CCN[C@H](C)CC(=O)OC 996cd301be79ec168f4649523ee618f0 [0,2,0,0,0,0|1,0,0]=3 855 B9R0.34 CCOC(=O)CN(C)CC a8474fa2e310db8d1704be7deba7f938 [0,2,0,0,0,0|2,0,0]=4 856 B9R0.34 CCOC(C)CC(=O)OC bb8935a6b3f2527590add1883d9af4ba [0,2,0,0,0,0|0,1,0]=3 857 B9R0.34 CCO[C@@H](C)CC(=O)OC aac0a176fbc44f8c523dab5a743853de [0,2,0,0,0,0|0,1,0]=3 858 B9R0.34 CCO[C@H](C)CC(=O)OC 3c6c55836fc2ed2696b0ec29d17e7dcf [0,2,0,0,0,0|0,1,0]=3 859 B9R0.34 CC[C@@H](C)NC(=O)COC 48e1c453949bea3e32bb0d96c962c7ca [0,2,0,0,0,0|2,0,0]=4 860 B9R0.34 CC[C@H](C)NC(=O)COC 1594ed02551392a9437845ba84793c38 [0,2,0,0,0,0|2,0,0]=4 861 B9R0.34 CNC(=O)CN(C)COC c9d8140bf14832dbc84770f6fc0f2146 [0,2,0,0,0,0|1,1,0]=4 862 B9R0.34 CNC(=O)CN(C)CSC 5d7dd8ba42ec1e1e76234eb87b1d093e [0,2,0,0,0,0|1,0,0]=3 863 B9R0.34 COC(=O)CC(C)NC#N df38146e7a667b28846b4ba6c043d6ce [0,2,0,0,0,0|1,0,1]=4 864 B9R0.34 COC(=O)CC(C)NC=O b72211864df35ffd2380f82f65b89de4 [0,2,0,0,0,0|1,0,1]=4 865 B9R0.34 COC(=O)CC(C)NCF 0a7538be72429a002b6b34a850e63618 [0,2,0,0,0,0|1,0,0]=3 866 B9R0.34 COC(=O)CC(C)NCO 9753ba70d33825a7595610867e756db2 [0,2,0,0,0,0|1,0,0]=3 867 B9R0.34 COC(=O)CC(C)OCF 68dbeec4b12b0259cc1cb07aaaa75105 [0,2,0,0,0,0|0,1,0]=3 868 B9R0.34 COC(=O)CN(C)CC#N 6228a1773b5138a97c278f0d758ea010 [0,2,0,0,0,0|2,0,0]=4 869 B9R0.34 COC(=O)CN(C)CC=O cc00c0b6da1d7eba3533da3045fb7caa [0,2,0,0,0,0|2,0,0]=4 870 B9R0.34 COC(=O)CN(C)CCF 7b41865c913d9b2c4d4122ccac5837a9 [0,2,0,0,0,0|2,0,0]=4 871 B9R0.34 COC(=O)CN(C)CCO 1aad489fa1b45518825201dd6f7c38ac [0,2,0,0,0,0|2,0,0]=4 872 B9R0.34 COC(=O)CN(C)CCS 8a8c2fe6c6a87cff3965790c5275f6ca [0,2,0,0,0,0|2,0,0]=4 873 B9R0.34 COC(=O)CN(C)CSC 0d6887e7a7c91b703c53f416b59021da [0,2,0,0,0,0|0,0,0]=2 874 B9R0.34 COC(=O)C[C@@H](C)NC=O 7aa9f69886994f74910370c29191665a [0,2,0,0,0,0|1,0,1]=4 875 B9R0.34 COC(=O)C[C@@H](C)NCF e8a318d42732337cd2ff2138a3efff74 [0,2,0,0,0,0|1,0,0]=3 876 B9R0.34 COC(=O)C[C@@H](C)NCO d777fda6d4f2319c41cbabe57c5b3877 [0,2,0,0,0,0|1,0,0]=3 877 B9R0.34 COC(=O)C[C@@H](C)OCF 7f7d1856387b433cec9b5e54411bfa81 [0,2,0,0,0,0|0,1,0]=3 878 B9R0.34 COC(=O)C[C@H](C)NC#N 9ef41ece7628552e3e57d5f377c7df0b [0,2,0,0,0,0|1,0,1]=4 879 B9R0.34 COC(=O)C[C@H](C)NC=O 4500b3412c0f97479f50647dae47746c [0,2,0,0,0,0|1,0,1]=4 880 B9R0.34 COC(=O)C[C@H](C)NCF 2e3f06d4fde4df2be2e62c70eb519f8b [0,2,0,0,0,0|1,0,0]=3 881 B9R0.34 COC(=O)C[C@H](C)NCO 3fd4d27b51ca9c405e6a5685f286ea0c [0,2,0,0,0,0|1,0,0]=3 882 B9R0.34 COC(=O)C[C@H](C)OCF 5de665b9654f96b29e1d14acbc21116f [0,2,0,0,0,0|0,1,0]=3 883 B9R0.34 COCN(C)CC(=O)OC 33349a2663dda1be891b3184c8c7f1e3 [0,2,0,0,0,0|0,1,0]=3 884 B9R0.35 CCCN(C)C(=O)COC 762ec05ebc48f693f57ef51bddec7e34 [0,2,0,0,0,0|2,0,0]=4 885 B9R0.35 CCN[C@H](C)C(=O)OCC 6875bcc526feb7ae66bd8400bcf3b7da [0,2,0,0,0,0|2,0,0]=4 886 B9R0.35 CCOC(=O)C(C)OCC f445527160852fc0c43d12c8fe5320cc [0,2,0,0,0,0|2,0,0]=4 887 B9R0.35 CCOC(=O)[C@@H](C)OCC 631e97abb6fd65233abf22b379a869bf [0,2,0,0,0,0|2,0,0]=4 888 B9R0.35 CCOC(=O)[C@H](C)OCC 62fff8344bfc0cb3adfb9e62dd68064a [0,2,0,0,0,0|2,0,0]=4 889 B9R0.35 CSCC(O)C(=O)NC#N 4697509a6fbaa8d2d2e2ef8f2e1e64b2 [0,2,0,0,0,0|1,0,1]=4 890 B9R0.48 C=C(C)CNC(=O)COC 7927f533b7fcfd491d5570cbc592dd9d [0,2,0,0,0,0|2,0,0]=4 891 B9R0.48 CCOC(=O)CNC(=O)C eefea8b66cbae53eb0645dbc6dff51ca [0,2,0,0,0,0|2,0,0]=4 892 B9R0.48 CCOC(=O)CNC(C)C 80d7999aed865ea280b457aaf3d32f53 [0,2,0,0,0,0|2,0,0]=4 893 B9R0.48 CCOC(=O)COC(C)C 228e90334048907c42f17a3b8b5d3d98 [0,2,0,0,0,0|2,0,0]=4 894 B9R0.48 COCC(=O)COC(C)C 8939b2d2f657a9aa8b5fe020856934ec [0,2,0,0,0,0|2,0,0]=4 895 B9R0.48 COCC(=O)NCC(=O)C 9366c1fb376d52d38cd3913860d123e1 [0,2,0,0,0,0|2,0,0]=4 896 B9R0.48 COCC(=O)NCC(C)C c4daec739ffacc829175580449ce011a [0,2,0,0,0,0|2,0,0]=4 897 B9R0.48 COCC(=O)NCC(C)O f8b1886d725f96091277fd4292d75f7c [0,2,0,0,0,0|2,0,0]=4 898 B9R0.48 COCC(=O)NC[C@@H](C)O 38cd21dd85798a5a788972e72e7b27b4 [0,2,0,0,0,0|2,0,0]=4 899 B9R0.48 COCC(=O)NC[C@H](C)O 7b1079842e2b577308d40cc0f954db1a [0,2,0,0,0,0|2,0,0]=4 900 B9R0.12 C=CC(OCC)C(=O)OC ba17400c182b6eb52292b1acf453e8ee [0,2,0,0,0,0|2,0,0]=4 901 B9R0.12 CCNC(C#N)C(=O)OC 2a2b6bcd48014bb369c11522fdd4163a [0,2,0,0,0,0|2,0,0]=4 902 B9R0.12 CCNC(CO)C(=O)OC 70d20069b7c2c33b6735ce5c2d2d9890 [0,2,0,0,0,0|2,0,0]=4 903 B9R0.12 CCN[C@@H](CC)C(=O)OC 999d31d45781ad98aaae06f410e03277 [0,2,0,0,0,0|2,0,0]=4 904 B9R0.12 CCN[C@@H](CO)C(=O)OC 783f1436070e4ef27e239c2bc5ae76f8 [0,2,0,0,0,0|2,0,0]=4 905 B9R0.12 CCN[C@@H](CS)C(=O)OC a3ae20d2eca73c3d6eb7c5baec80f314 [0,2,0,0,0,0|2,0,0]=4 906 B9R0.12 CCN[C@H](CC)C(=O)OC 56b2ee816420f8b5360e16d9be2a9530 [0,2,0,0,0,0|2,0,0]=4 907 B9R0.12 CCN[C@H](CO)C(=O)OC 7e7907490e3448d34d068e96647db937 [0,2,0,0,0,0|2,0,0]=4 908 B9R0.12 CCOC(C#N)C(=O)OC 7550b9a56c75dcfedb89f20d340f3156 [0,2,0,0,0,0|2,0,0]=4 909 B9R0.12 CCOC(CC)C(=O)OC dafeac8a9e49a0ca9bcc192bdedd1ece [0,2,0,0,0,0|2,0,0]=4 910 B9R0.12 CCOC(OC)C(=O)OC 739d4987749edc9d825824bfb39658eb [0,2,0,0,0,0|2,0,0]=4 911 B9R0.12 CCO[C@@H](CC)C(=O)OC 5a2831785b533bb4fd647aebbcb4d403 [0,2,0,0,0,0|2,0,0]=4 912 B9R0.12 CCO[C@H](CC)C(=O)OC 46c21ea7eed63401aa22bf6ce0cd90ba [0,2,0,0,0,0|2,0,0]=4 913 B9R0.23 COC(=O)C(C)OC(C)C a0a379023719ce693b1d023cd8b5033b [0,2,0,0,0,0|2,0,0]=4 914 B9R0.23 COC(=O)[C@@H](C)OC(C)C 00855389155a20f77742c699f5d3beaf [0,2,0,0,0,0|2,0,0]=4 915 B9R0.23 COC(=O)[C@H](C)OC(C)C e76a681e1150bbf690cc71533af4c7e6 [0,2,0,0,0,0|2,0,0]=4 916 B9R0.27 CCN(C)C(C)C(=O)OC 2ce66a10778347f29731811a6719d051 [0,2,0,0,0,0|2,0,0]=4 917 B9R0.27 CCN(C)[C@@H](C)C(=O)OC 6d44433b9c40980fb7ee5f9a4bba1762 [0,2,0,0,0,0|2,0,0]=4 918 B9R0.27 CCN(C)[C@H](C)C(=O)OC 66b78c8403f67c8c0912bf60edf2a5f6 [0,2,0,0,0,0|2,0,0]=4 919 B9R0.60 CCNC(C)(C)C(=O)OC de68fe61a044feebd40569c7fa579e60 [0,2,0,0,0,0|2,0,0]=4 920 B9R0.1 C=C(Br)CNCC(=O)OC fdab228507d1733658566d2550ee5bcc [0,2,0,0,0,0|1,0,1]=4 921 B9R0.1 C=C(Br)COCC(=O)OC 7bb79987d0416fbb7eadaab1bb1c908f [0,2,0,0,0,0|1,0,1]=4 922 B9R0.1 C=C(C)CCNC(=O)CC c0849ae324a4527830c5955e89b51c09 [0,2,0,0,0,0|2,0,0]=4 923 B9R0.1 C=C(C)CNCC(=C)OC 28e608cc8dfe414d8c58c2c36c2ac099 [0,2,0,0,0,0|2,0,0]=4 924 B9R0.1 C=C(C)CNCC(=O)CC cd454918bf8eb86d4e5c362f8a3004ea [0,2,0,0,0,0|2,0,0]=4 925 B9R0.1 C=C(C)CNCC(=O)NC fbde083ce8d8a2cff785f4d8c062baa1 [0,2,0,0,0,0|2,0,0]=4 926 B9R0.1 C=C(C)CNCC(=O)OC c333e980167d9fefdd828559eb49e425 [0,2,0,0,0,0|1,0,0]=3 927 B9R0.1 C=C(C)COCC(=C)OC 3af4b44923555d9ed756ea233d611a69 [0,2,0,0,0,0|2,0,0]=4 928 B9R0.1 C=C(C)COCC(=O)CC 99655a47b1d4e2a1598c06aa759ad9bc [0,2,0,0,0,0|2,0,0]=4 929 B9R0.1 C=C(C)COCC(=O)NC 5b65010df5794686ec07c4d328d5487e [0,2,0,0,0,0|2,0,0]=4 930 B9R0.1 C=C(C)COCC(=O)OC ef2f938506a463bb6101f9cac476c9e5 [0,2,0,0,0,0|1,0,0]=3 931 B9R0.1 C=C(CNCC(=O)C)OC b39ddd803e0868ca46809ac47789f196 [0,2,0,0,0,0|2,0,0]=4 932 B9R0.1 C=C(CNCC(C)C)OC bf9b4f59f58eaec222a3a6cdd8a92bd5 [0,2,0,0,0,0|2,0,0]=4 933 B9R0.1 C=C(CNCC(C)O)OC f2ce10bc8c3506268b8a2dc5bfec215d [0,2,0,0,0,0|2,0,0]=4 934 B9R0.1 C=C(CNC[C@@H](C)O)OC 1a33465ce3ac8fff2511c4f5b7f1135e [0,2,0,0,0,0|2,0,0]=4 935 B9R0.1 C=C(CNC[C@H](C)O)OC 1329b71bf6831cbec9b01177a58eedc3 [0,2,0,0,0,0|2,0,0]=4 936 B9R0.1 C=C(COCC(=O)C)OC 09928f8b08416c32c791a53bc763a5ea [0,2,0,0,0,0|2,0,0]=4 937 B9R0.1 C=C(COCC(C)C)OC 521b02cb87efe41e53290b0868255ca0 [0,2,0,0,0,0|2,0,0]=4 938 B9R0.1 C=C(COCC(C)F)OC 5bda66444f5cbac6f36df2befdc0fd32 [0,2,0,0,0,0|2,0,0]=4 939 B9R0.1 C=C(COCC(C)S)OC 15c67f9238e46fcb84ffafd4d0a0a825 [0,2,0,0,0,0|2,0,0]=4 940 B9R0.1 C=C(COC[C@@H](C)F)OC 18b2024a3c402946f10b1f62ac3e1a64 [0,2,0,0,0,0|2,0,0]=4 941 B9R0.1 C=C(COC[C@H](C)F)OC 754e32c805ca08c867e9f5b1c04c66fa [0,2,0,0,0,0|2,0,0]=4 942 B9R0.1 C=C(Cl)CNCC(=O)OC 560a2c6b60f462dc680bd8d00682c5d0 [0,2,0,0,0,0|1,0,1]=4 943 B9R0.1 C=C(Cl)COCC(=O)OC 504d35413c6dde3f70bc00d9c50efd19 [0,2,0,0,0,0|1,0,1]=4 944 B9R0.1 C=C(F)CNCC(=O)OC 38b03005d15104b0ac50fda176f68a28 [0,2,0,0,0,0|1,0,1]=4 945 B9R0.1 C=C(F)COCC(=O)OC c0974ae63b493d16f1c408ca213ad4f4 [0,2,0,0,0,0|1,0,1]=4 946 B9R0.1 C=C(I)COCC(=O)OC 9dd33c46b90e4223d80b0020a345db61 [0,2,0,0,0,0|1,0,1]=4 947 B9R0.1 CCC(=O)CNCC(=O)C 938d73b249bc6dd4594641d324714cb6 [0,2,0,0,0,0|2,0,0]=4 948 B9R0.1 CCC(=O)CNCC(C)C f89eb8c1da421bdd2c2a0f52a3227e7b [0,2,0,0,0,0|2,0,0]=4 949 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,2,0,0,0,0|2,0,0]=4 950 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,2,0,0,0,0|2,0,0]=4 951 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,2,0,0,0,0|2,0,0]=4 952 B9R0.1 CCC(=O)COCC(=O)C c66cb35c51394e114e947994917edf5c [0,2,0,0,0,0|2,0,0]=4 953 B9R0.1 CCC(=O)COCC(C)C 1c45ddeeaf5a279e0fccbc8ffb25aed9 [0,2,0,0,0,0|2,0,0]=4 954 B9R0.1 CCC(=O)COCC(C)F 91df8a377e9f937cdf7b9a4dbc1d8ea9 [0,2,0,0,0,0|2,0,0]=4 955 B9R0.1 CCC(=O)COCC(C)S d1be480c334d894200d3e9bbcc1d4bf5 [0,2,0,0,0,0|2,0,0]=4 956 B9R0.1 CCC(=O)COCN(C)C dd8de0eeed69111efd83350139ed50fc [0,2,0,0,0,0|2,0,0]=4 957 B9R0.1 CCC(=O)COC[C@@H](C)F caad4436b920c8b328478f7df99675f5 [0,2,0,0,0,0|2,0,0]=4 958 B9R0.1 CCC(=O)COC[C@H](C)F afd400ebd46039e71d2dcae521490671 [0,2,0,0,0,0|2,0,0]=4 959 B9R0.1 CCC(=O)NCCC(C)C 15f0ff154b73608d9b867dc114dba5c0 [0,2,0,0,0,0|2,0,0]=4 960 B9R0.1 CCC(=O)NCCC(C)O 2aec2e6bb9fbc54ce13f19b2630a008a [0,2,0,0,0,0|2,0,0]=4 961 B9R0.1 CCC(=O)NCCN(C)C 3fd654a68244f1306eb040b308a88ab5 [0,2,0,0,0,0|2,0,0]=4 962 B9R0.1 CCC(=O)NCCS(=O)C 0a43abd0c9593f06f1b54bc82efd02c1 [0,2,0,0,0,0|1,0,1]=4 963 B9R0.1 CCC(=O)NCC[C@@H](C)O dc1da85b4b434a8327a030b4b9c29cc5 [0,2,0,0,0,0|2,0,0]=4 964 B9R0.1 CCC(=O)NCC[C@H](C)O e060f68859aae796ceb23995e0446069 [0,2,0,0,0,0|2,0,0]=4 965 B9R0.1 CNC(=O)CCNC(=O)C f3a3033dad8e1aab7fc770fc0743d310 [0,2,0,0,0,0|2,0,0]=4 966 B9R0.1 CNC(=O)CCNC(C)C 855f87f986c161aee85af79de8272fed [0,2,0,0,0,0|2,0,0]=4 967 B9R0.1 CNC(=O)CCOC(C)C 6a47444c5a2c07745f4f7dfd64d3b1d6 [0,2,0,0,0,0|1,1,0]=4 968 B9R0.1 CNC(=O)CNCC(=O)C 9553722055197c716954dc86f447aeb4 [0,2,0,0,0,0|2,0,0]=4 969 B9R0.1 CNC(=O)CNCC(C)C 3221640b219bd78ec2bb8c18ad769fcf [0,2,0,0,0,0|2,0,0]=4 970 B9R0.1 CNC(=O)CNCC(C)O a28ef65677ab53cd6c02da4523df1161 [0,2,0,0,0,0|2,0,0]=4 971 B9R0.1 CNC(=O)CNCN(C)C 4fdd37483f99f0a734ac1b77c7bf7496 [0,2,0,0,0,0|2,0,0]=4 972 B9R0.1 CNC(=O)CNC[C@@H](C)O efcf8ffc667f53fed279c5d7a3af9870 [0,2,0,0,0,0|2,0,0]=4 973 B9R0.1 CNC(=O)CNC[C@H](C)O 0c060a0a690e256b06eead82b2ad4d1e [0,2,0,0,0,0|2,0,0]=4 974 B9R0.1 CNC(=O)COCC(=O)C ff89b93418e37b61debdb32dce14d587 [0,2,0,0,0,0|2,0,0]=4 975 B9R0.1 CNC(=O)COCC(C)C 40c9e5555ca7067c1b75a79085d9227e [0,2,0,0,0,0|2,0,0]=4 976 B9R0.1 CNC(=O)COCC(C)F fa52b6f3d1a0e8b904c6593f91cbafd7 [0,2,0,0,0,0|2,0,0]=4 977 B9R0.1 CNC(=O)COCC(C)S 9a15f8cb95cc309974f4cd3bd405210f [0,2,0,0,0,0|2,0,0]=4 978 B9R0.1 CNC(=O)COCN(C)C 665ee29b62254af7868c6011e1c8eb08 [0,2,0,0,0,0|2,0,0]=4 979 B9R0.1 CNC(=O)COC[C@@H](C)F 5731cf667a988e44e01f3764bf2440c0 [0,2,0,0,0,0|2,0,0]=4 980 B9R0.1 CNC(=O)COC[C@H](C)F 6084954275979d4120883ba62d3df961 [0,2,0,0,0,0|2,0,0]=4 981 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [0,2,0,0,0,0|1,0,0]=3 982 B9R0.1 COC(=O)CCNC(C)C cca84c56a4f78d735d44ac567d8c7043 [0,2,0,0,0,0|1,0,0]=3 983 B9R0.1 COC(=O)CCOC(C)C 60b3b0e4ed197bd9b785527450b784a6 [0,2,0,0,0,0|0,1,0]=3 984 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [0,2,0,0,0,0|1,0,0]=3 985 B9R0.1 COC(=O)CNCC(=O)N 9163aa512c5802909ed25b2031da4389 [0,2,0,0,0,0|2,0,0]=4 986 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [0,2,0,0,0,0|2,0,0]=4 987 B9R0.1 COC(=O)CNCC(C)C f4529cfb679f9748b0c64270201236cc [0,2,0,0,0,0|1,0,0]=3 988 B9R0.1 COC(=O)CNCC(C)O 59a9a5fa9940991101df2294ecedabe2 [0,2,0,0,0,0|1,0,0]=3 989 B9R0.1 COC(=O)CNCC(F)F 99a11b46419d1919f76e3d3e6287302f [0,2,0,0,0,0|2,0,0]=4 990 B9R0.1 COC(=O)CNCN(C)C 0a2496fcd2e1da81aae705ca0c36b384 [0,2,0,0,0,0|1,0,0]=3 991 B9R0.1 COC(=O)CNC[C@@H](C)O c0520f27f33031c361272483aa523927 [0,2,0,0,0,0|1,0,0]=3 992 B9R0.1 COC(=O)CNC[C@H](C)O 0c585f1f65c56fea600dec50df736a15 [0,2,0,0,0,0|1,0,0]=3 993 B9R0.1 COC(=O)CNC[N+](=O)[O-] 3550e6deda1b83c4a6f2e5056eddfcc5 [0,2,0,0,0,0|2,0,0]=4 994 B9R0.1 COC(=O)COCC(=O)C c6badf6770087930f6d233ff5221dfc5 [0,2,0,0,0,0|1,0,0]=3 995 B9R0.1 COC(=O)COCC(=O)N 2e55244adc2571962e17fc15e71f3607 [0,2,0,0,0,0|2,0,0]=4 996 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [0,2,0,0,0,0|2,0,0]=4 997 B9R0.1 COC(=O)COCC(=S)N 074e27d2fc4b353e3abd9e34b073cda7 [0,2,0,0,0,0|2,0,0]=4 998 B9R0.1 COC(=O)COCC(C)C 4b1318611fb3f76585445eae1c414e70 [0,2,0,0,0,0|1,0,0]=3 999 B9R0.1 COC(=O)COCC(C)F ded48f7273675c40dff9df77741fd995 [0,2,0,0,0,0|1,0,0]=3 1000 B9R0.1 COC(=O)COCC(C)S 972eb2e1b84baea6663e77547a586ced [0,2,0,0,0,0|1,0,0]=3 1001 B9R0.1 COC(=O)COCC(F)F 5967460eac62631fab3c633dca5b4a80 [0,2,0,0,0,0|2,0,0]=4 1002 B9R0.1 COC(=O)COCN(C)C 68a7b0498b06764e3116c56a23a606fe [0,2,0,0,0,0|1,0,0]=3 1003 B9R0.1 COC(=O)COCS(=O)O 312ba3021bfe796259121a8421f51d8c [0,2,0,0,0,0|1,0,1]=4 1004 B9R0.1 COC(=O)COC[C@@H](C)F 2c354a5e8fdd5505f4e964176d19fdb9 [0,2,0,0,0,0|1,0,0]=3 1005 B9R0.1 COC(=O)COC[C@H](C)F 6ebc6b533639ba961e85b641e67b20d7 [0,2,0,0,0,0|1,0,0]=3 1006 B9R0.1 COC(=O)COC[N+](=O)[O-] ad5c4877c2121979a002df98934a7c85 [0,2,0,0,0,0|2,0,0]=4 1007 B9R0.1 COC(=O)OCOC(C)C 251eb519e02d8d49a94916f622d830be [0,2,0,0,0,0|1,1,0]=4 1008 B9R0.20 CCOCCS(=O)(=O)OC f5462b9518353984b62ef118cf6fa88f [0,2,0,0,0,0|1,1,0]=4 1009 B9R0.20 COC(C)(C)CNCSC e18a43b36c09cbd43249e240cc78e4df [0,2,0,0,0,0|1,0,1]=4 1010 B9R0.20 COC(C)(C)COCSC da31c01b794ba14f2e3f8e5a478f0cd8 [0,2,0,0,0,0|1,0,1]=4 1011 B9R0.20 COS(=O)(=O)CCOCF fa56cc06e422b3d7d5f03da0cd22af11 [0,2,0,0,0,0|1,1,0]=4 1012 B9R0.24 C#CC(C)NCC(=O)OC d3111511e0f3b63da9cf8fbb6803bdcd [0,2,0,0,0,0|1,0,1]=4 1013 B9R0.24 C#CC(C)OCC(=O)OC 3834f9929bdb310a6b6f26aa3aff2944 [0,2,0,0,0,0|1,0,1]=4 1014 B9R0.24 C#C[C@@H](C)NCC(=O)OC f70b2489bdb7e036e2d5461d0aad8357 [0,2,0,0,0,0|1,0,1]=4 1015 B9R0.24 C#C[C@@H](C)OCC(=O)OC 4a93ad57e77e78a44764b6d964c53854 [0,2,0,0,0,0|1,0,1]=4 1016 B9R0.24 C#C[C@H](C)NCC(=O)OC 7e17f72d06f7ebbab6d4051854da7b9a [0,2,0,0,0,0|1,0,1]=4 1017 B9R0.24 C#C[C@H](C)OCC(=O)OC d95b66e1f6f317e6a47b949ce99cc02f [0,2,0,0,0,0|1,0,1]=4 1018 B9R0.24 C=C(CNC(C)CC)OC 199745e170d7136057adf692fc38bc38 [0,2,0,0,0,0|2,0,0]=4 1019 B9R0.24 C=C(CN[C@@H](C)CC)OC 10f721623084d5e042fa686b6aba21f6 [0,2,0,0,0,0|2,0,0]=4 1020 B9R0.24 C=C(CN[C@H](C)CC)OC 36d91e5ccdad465db0f3ec237f974baa [0,2,0,0,0,0|2,0,0]=4 1021 B9R0.24 C=C(COC(C)CC)OC 58b6feaf19e6f1997c779268ea3fd7b1 [0,2,0,0,0,0|2,0,0]=4 1022 B9R0.24 C=C(CO[C@@H](C)CC)OC 5dbf68339d968dae26f268e1b4530471 [0,2,0,0,0,0|2,0,0]=4 1023 B9R0.24 C=C(CO[C@H](C)CC)OC 465be8e09831cc0a52bf3701e0ba6f9b [0,2,0,0,0,0|2,0,0]=4 1024 B9R0.24 C=CC(C)NCC(=O)OC 458ca9e0f72429bc5b6a0666dc9887f6 [0,2,0,0,0,0|1,0,1]=4 1025 B9R0.24 C=CC(C)OCC(=O)OC 49db1015aa1b9433cdff0d43f3b5ac9a [0,2,0,0,0,0|1,0,1]=4 1026 B9R0.24 C=C[C@H](C)OCC(=O)OC 3e0cc0a3880efc0cf26e8bb77e313458 [0,2,0,0,0,0|1,0,1]=4 1027 B9R0.24 CCC(=O)CNC(C)CC 8a7f34411ea9ff22baecd2bec9987e81 [0,2,0,0,0,0|2,0,0]=4 1028 B9R0.24 CCC(=O)CN[C@@H](C)CC cf0e7ed200bceabd78136172de6ecd6c [0,2,0,0,0,0|2,0,0]=4 1029 B9R0.24 CCC(=O)CN[C@H](C)CC e6fe0f86a523db447d188f70083e09d0 [0,2,0,0,0,0|2,0,0]=4 1030 B9R0.24 CCC(=O)COC(C)CC 29d5bfcc3cb37f7ca0dad75c651a7aa4 [0,2,0,0,0,0|2,0,0]=4 1031 B9R0.24 CCC(=O)CO[C@@H](C)CC 83299bde6aa7b405212942272cb01c0d [0,2,0,0,0,0|2,0,0]=4 1032 B9R0.24 CCC(=O)CO[C@H](C)CC 22a053d890b84a836a154b9ddc55610a [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.24 CCC(=O)NCC(=O)OC 5f6ec2d5f91cea317b39ea7a589feebf [0,2,0,0,0,0|1,0,1]=4 1034 B9R0.24 CCC(=O)NCC(C)CC 7a5f4f534369b61d9e8fb6bbf4fc8b31 [0,2,0,0,0,0|2,0,0]=4 1035 B9R0.24 CCC(=O)NCC(O)CC 0c6f585c4a613c01d94eec57c41006a2 [0,2,0,0,0,0|2,0,0]=4 1036 B9R0.24 CCC(=O)NC[C@@H](C)CC 20f140a9a510d7ecd72cce257acfa2d6 [0,2,0,0,0,0|2,0,0]=4 1037 B9R0.24 CCC(=O)NC[C@@H](C)OC 2b4d3bc307acd070b3e7f7cf9dd3ff4c [0,2,0,0,0,0|1,1,0]=4 1038 B9R0.24 CCC(=O)NC[C@H](C)OC e43467fd548414270671303609820f3d [0,2,0,0,0,0|1,1,0]=4 1039 B9R0.24 CCC(=O)NC[C@H](O)CC d28190137f6e71fee6c5823aba62fd52 [0,2,0,0,0,0|2,0,0]=4 1040 B9R0.24 CCC(C)NCC(=O)NC 2611a3dfb5b7c258664f7cb330ea6fec [0,2,0,0,0,0|2,0,0]=4 1041 B9R0.24 CCC(C)NCC(=O)OC 59c2530d5471f061d4aa62b34152d7d0 [0,2,0,0,0,0|1,0,0]=3 1042 B9R0.24 CCC(C)OCC(=O)NC fd2e488516bf2234fe71d5367b194c27 [0,2,0,0,0,0|2,0,0]=4 1043 B9R0.24 CCC(C)OCC(=O)OC 6aca864df4e41abf0022f5b67ba1eeb3 [0,2,0,0,0,0|1,0,0]=3 1044 B9R0.24 CCN(C)CCC(=O)NC 2662066c50046d25efb4730369bf3acc [0,2,0,0,0,0|2,0,0]=4 1045 B9R0.24 CCN(C)CCC(=O)OC d4cf3afdf7bf67f420c8138d9cf71b21 [0,2,0,0,0,0|1,0,0]=3 1046 B9R0.24 CCN(C)COC(=O)OC 7edde911e4bf2f7ddb416a1e0f67633c [0,2,0,0,0,0|2,0,0]=4 1047 B9R0.24 CC[C@@H](C)NCC(=O)NC 0ca27b77de1e030aca1751b3aa23f4cf [0,2,0,0,0,0|2,0,0]=4 1048 B9R0.24 CC[C@@H](C)NCC(=O)OC 64edeba17979e2fe49241dd635a58ddb [0,2,0,0,0,0|1,0,0]=3 1049 B9R0.24 CC[C@@H](C)OCC(=O)NC 817bc16c72cd78f6e12f450b6b571e69 [0,2,0,0,0,0|2,0,0]=4 1050 B9R0.24 CC[C@@H](C)OCC(=O)OC 3145e5d285e192d9dfaf26cd6f7644e4 [0,2,0,0,0,0|1,0,0]=3 1051 B9R0.24 CC[C@H](C)NCC(=O)NC b6643c7b3c39b0dd63a44a929e3e3a20 [0,2,0,0,0,0|2,0,0]=4 1052 B9R0.24 CC[C@H](C)NCC(=O)OC 98f1fcbe76f73cc49ef7ab910e9d424b [0,2,0,0,0,0|1,0,0]=3 1053 B9R0.24 CC[C@H](C)OCC(=O)NC 8cc4a5382b0da495d42bf9faf91f3972 [0,2,0,0,0,0|2,0,0]=4 1054 B9R0.24 CC[C@H](C)OCC(=O)OC 86df6380b1146d2c264ca4f2009c7f20 [0,2,0,0,0,0|1,0,0]=3 1055 B9R0.24 CNC(=O)CCN(C)C=O b308bd7b0dfa7826ea24ba8207d7f5bb [0,2,0,0,0,0|2,0,0]=4 1056 B9R0.24 CNC(=O)CCN(C)CF 604d9cdf4915a0d40990e7e63e0a5b13 [0,2,0,0,0,0|2,0,0]=4 1057 B9R0.24 CNC(=O)CCN(C)CO da1c6696a533c1b82536cbb225347937 [0,2,0,0,0,0|2,0,0]=4 1058 B9R0.24 COC(=O)CCN(C)C=O c30203a4eca8affce824fc80a9b45f76 [0,2,0,0,0,0|1,0,0]=3 1059 B9R0.24 COC(=O)CCN(C)CF df1ecc151d3c48659c12397496c94279 [0,2,0,0,0,0|1,0,0]=3 1060 B9R0.24 COC(=O)CCN(C)CO ab8817d781dac8c00b417de9f0f45392 [0,2,0,0,0,0|1,0,0]=3 1061 B9R0.24 COC(=O)CNC(=O)CF b3ead293da577a849ff28915b38843bb [0,2,0,0,0,0|2,0,0]=4 1062 B9R0.24 COC(=O)CNC(=O)CO d176581f5d9690d46fec33f4e68508b3 [0,2,0,0,0,0|2,0,0]=4 1063 B9R0.24 COC(=O)CNC(=O)CS 6e06f3ed9018d8a3d709b154968f670a [0,2,0,0,0,0|2,0,0]=4 1064 B9R0.24 COC(=O)CNC(C)C#N fc01721820eed30ba9b4b8cb59d5d728 [0,2,0,0,0,0|2,0,0]=4 1065 B9R0.24 COC(=O)CNC(C)C=O 2dfcf6cde44b92f9471ba53f321fd2aa [0,2,0,0,0,0|2,0,0]=4 1066 B9R0.24 COC(=O)CNC(C)CO 77bfeb42b55f78705d2d10d16062fb5d [0,2,0,0,0,0|2,0,0]=4 1067 B9R0.24 COC(=O)CN[C@@H](C)CO a8bf9a0ee8b1f8cec0f7a692c165f630 [0,2,0,0,0,0|2,0,0]=4 1068 B9R0.24 COC(=O)CN[C@H](C)C=O 1463b380ab51139274cc8359c96a1f75 [0,2,0,0,0,0|2,0,0]=4 1069 B9R0.24 COC(=O)CN[C@H](C)CO 9b055f26dd8da05358a6f557b707100d [0,2,0,0,0,0|2,0,0]=4 1070 B9R0.24 COC(=O)COC(C)C=O 2893581629e04d22b3e4e05cd3ab89b1 [0,2,0,0,0,0|2,0,0]=4 1071 B9R0.24 COC(=O)COC(C)CF ae8e20076061c42c64980b5fad7cae0e [0,2,0,0,0,0|2,0,0]=4 1072 B9R0.24 COC(=O)COC(C)CS 9c5b6e99de02bc94886d5fea75f150a9 [0,2,0,0,0,0|2,0,0]=4 1073 B9R0.24 COC(=O)CO[C@H](C)C=O 18cc6747b068bee5fcd005922c770056 [0,2,0,0,0,0|2,0,0]=4 1074 B9R0.24 COC(=O)CO[C@H](C)CS 9763eb97166cb02d86ae0eeee7c72710 [0,2,0,0,0,0|2,0,0]=4 1075 B9R0.46 C#CC(=O)NCCCSC 483070dad8d74f4940d7e7706a09d9ce [0,2,0,0,0,0|1,0,1]=4 1076 B9R0.46 C#CC(=O)NCCSCC 91b900f5787dbc902ef5cb88ad96f3b7 [0,2,0,0,0,0|1,0,1]=4 1077 B9R0.46 C#CCCNCC(=O)OC c485dc1476c1513f489771dd13aac821 [0,2,0,0,0,0|1,0,1]=4 1078 B9R0.46 C#CCCOCC(=O)OC b0ca59a0a29aadff7bd388d5bdaa43fa [0,2,0,0,0,0|1,0,1]=4 1079 B9R0.46 C#CCNCCC(=O)NC 99078dcb6a24e327216dabdd8aa54edc [0,2,0,0,0,0|2,0,0]=4 1080 B9R0.46 C#CCNCCC(=O)OC e7d0bb4c4beece0f9f792dd00f08e2e6 [0,2,0,0,0,0|1,0,0]=3 1081 B9R0.46 C#CCNCOC(=O)OC 9c6539752e95d38343eab7bd2204d2b8 [0,2,0,0,0,0|1,0,1]=4 1082 B9R0.46 C#CCOCCC(=O)NC 677762b92b71997bedf253aeaa58a7d3 [0,2,0,0,0,0|1,1,0]=4 1083 B9R0.46 C#CCOCCC(=O)OC fff3858d9b350308919b5bdc22e670e0 [0,2,0,0,0,0|0,1,0]=3 1084 B9R0.46 C#CCOCOC(=O)OC 115f3528b71b49c5363d2205fb2e2d3a [0,2,0,0,0,0|1,0,1]=4 1085 B9R0.46 C/C=C/CNCC(=O)NC 8e3de86f1231002ff0267446d29ca177 [0,2,0,0,0,0|2,0,0]=4 1086 B9R0.46 C/C=C/CNCC(=O)OC 6f3d3544007b0e7617d15f94db3edb22 [0,2,0,0,0,0|1,0,0]=3 1087 B9R0.46 C/C=C/COCC(=O)CC e1656228407acd54ce7a771a1321ad28 [0,2,0,0,0,0|2,0,0]=4 1088 B9R0.46 C/C=C/COCC(=O)NC 7ca6eb8ef07f9102e1d5183e7cb2a20a [0,2,0,0,0,0|2,0,0]=4 1089 B9R0.46 C/C=C/COCC(=O)OC 5b8108bef0d1608d3bf5154a5bad1927 [0,2,0,0,0,0|1,0,0]=3 1090 B9R0.46 C/C=C\CNCC(=O)NC 8730501e22817d895a4bc3c7f6db43a1 [0,2,0,0,0,0|2,0,0]=4 1091 B9R0.46 C/C=C\CNCC(=O)OC 32a295fd0ddc1865d36e4b6355b75208 [0,2,0,0,0,0|1,0,0]=3 1092 B9R0.46 C/C=C\COCC(=O)CC c14112dc2d18bee881fce853ea783f26 [0,2,0,0,0,0|2,0,0]=4 1093 B9R0.46 C/C=C\COCC(=O)NC 0bafd4ee32f4c9b4725aa58574cfd6b6 [0,2,0,0,0,0|2,0,0]=4 1094 B9R0.46 C/C=C\COCC(=O)OC add1663ee33822f498b3a7c7964f86ff [0,2,0,0,0,0|1,0,0]=3 1095 B9R0.46 C=C(CC)CNCCSC 5561cb6b4f1cc2d4da2f5fb7a5afa5f1 [0,2,0,0,0,0|2,0,0]=4 1096 B9R0.46 C=C(CC)COCCSC a62d5e6a47c069175d940e7a0e3bdd8c [0,2,0,0,0,0|2,0,0]=4 1097 B9R0.46 C=C(CNCC#CC)OC 4eee9ac4e0d2fc2cd055fd9b45e7c42d [0,2,0,0,0,0|2,0,0]=4 1098 B9R0.46 C=C(CNCC=CC)OC 0f910476a8dd8695e1f91eb74bb5ec70 [0,2,0,0,0,0|2,0,0]=4 1099 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [0,2,0,0,0,0|2,0,0]=4 1100 B9R0.46 C=C(CNCCCCl)OC 45ac5622590db56ddaafec051158bcb5 [0,2,0,0,0,0|2,0,0]=4 1101 B9R0.46 C=C(CNCCCO)OC 00a68e6630546f3feaa98f7b90135299 [0,2,0,0,0,0|2,0,0]=4 1102 B9R0.46 C=C(CNCCOC)OC 6e194692b42896ff17574e3fa49259cf [0,2,0,0,0,0|1,1,0]=4 1103 B9R0.46 C=C(CNCCSC)OC b34e0e0396560f3b68edeac964d7dbdf [0,2,0,0,0,0|1,0,0]=3 1104 B9R0.46 C=C(COC/C=C/C)OC 4c2ccb0db0ff6196079e91a77d95cc8b [0,2,0,0,0,0|2,0,0]=4 1105 B9R0.46 C=C(COC/C=C\C)OC 8712c94e761cea02c5bb642cbe50a0cb [0,2,0,0,0,0|2,0,0]=4 1106 B9R0.46 C=C(COCC#CC)OC 05525f48b426db0a4010e033e544b11d [0,2,0,0,0,0|2,0,0]=4 1107 B9R0.46 C=C(COCC=CC)OC 3fa311aa07f9d52b7a314f9046542606 [0,2,0,0,0,0|2,0,0]=4 1108 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [0,2,0,0,0,0|2,0,0]=4 1109 B9R0.46 C=C(COCCCF)OC 4e9af8be2efb9dfedd020a71daf1ecc0 [0,2,0,0,0,0|2,0,0]=4 1110 B9R0.46 C=C(COCCCS)OC 009ce88ee6c0ad6e00f309bef511c05e [0,2,0,0,0,0|2,0,0]=4 1111 B9R0.46 C=C(COCCOC)OC 97dcad9a95359dfb19897cc892e86707 [0,2,0,0,0,0|1,1,0]=4 1112 B9R0.46 C=C(COCCSC)OC d48fe0c27a198758209cb684aabc4bdd [0,2,0,0,0,0|1,0,0]=3 1113 B9R0.46 C=CC(=O)NCCCSC c58aa27bbce2f539a76f326796f00759 [0,2,0,0,0,0|1,0,1]=4 1114 B9R0.46 C=CC(=O)NCCSCC db86a330ee341813a3c9eeeae4927fb3 [0,2,0,0,0,0|1,0,1]=4 1115 B9R0.46 C=CC(=O)NCOCSC e52b396612be67c89d7e43c9a3c43320 [0,2,0,0,0,0|1,0,1]=4 1116 B9R0.46 C=CCCNCC(=O)OC 5fb4be3d6bbd73ac1441b9f590623088 [0,2,0,0,0,0|1,0,1]=4 1117 B9R0.46 C=CCCOCC(=O)OC b9e51610685fdc73bf89906d5e006507 [0,2,0,0,0,0|1,0,1]=4 1118 B9R0.46 C=CCNCCC(=O)NC 1b9b4507384d165814320ccbb5b38ba6 [0,2,0,0,0,0|2,0,0]=4 1119 B9R0.46 C=CCNCCC(=O)OC 7b455ae9a4f1be1462f3b8b1dae2c2d5 [0,2,0,0,0,0|1,0,0]=3 1120 B9R0.46 C=CCOCCC(=O)NC 28a067a229e0e9ff2a2957cd58d920fb [0,2,0,0,0,0|1,1,0]=4 1121 B9R0.46 C=CCOCCC(=O)OC 46d19493bd3d42975ffe6dd72ccb8d71 [0,2,0,0,0,0|0,1,0]=3 1122 B9R0.46 CC#CCNCC(=O)CC f87af6f751e4d87a0957d736343b0a5d [0,2,0,0,0,0|2,0,0]=4 1123 B9R0.46 CC#CCNCC(=O)NC 1223356d3de5a56fe6ad5b066b39ac83 [0,2,0,0,0,0|2,0,0]=4 1124 B9R0.46 CC#CCNCC(=O)OC 37d35142201c1cd4b8670c62399a0d90 [0,2,0,0,0,0|1,0,0]=3 1125 B9R0.46 CC#CCOCC(=O)CC 5b3a6996232ecb6547cb05769e3a2752 [0,2,0,0,0,0|2,0,0]=4 1126 B9R0.46 CC#CCOCC(=O)NC e9369c57176358dbf198709d5653dfde [0,2,0,0,0,0|2,0,0]=4 1127 B9R0.46 CC#CCOCC(=O)OC 76e36bb6dd1e710ba91875ad19f0246a [0,2,0,0,0,0|1,0,0]=3 1128 B9R0.46 CC=CCNCC(=O)CC 3eb40bc620336efcbc3652bfc1f9b519 [0,2,0,0,0,0|2,0,0]=4 1129 B9R0.46 CC=CCNCC(=O)NC 27e493144ac31b01ede8d090926b11ec [0,2,0,0,0,0|2,0,0]=4 1130 B9R0.46 CC=CCNCC(=O)OC 87a5ef408de8dabff44eb18793f2a2b4 [0,2,0,0,0,0|1,0,0]=3 1131 B9R0.46 CC=CCOCC(=O)CC 19b16142301c4f605365fb0e3e29736d [0,2,0,0,0,0|2,0,0]=4 1132 B9R0.46 CC=CCOCC(=O)NC d82b9b1b09f4b55b854c822c86f580fa [0,2,0,0,0,0|2,0,0]=4 1133 B9R0.46 CC=CCOCC(=O)OC d0e0bfd862a552b349cd9e0bc933c965 [0,2,0,0,0,0|1,0,0]=3 1134 B9R0.46 CCC(=O)CNCCCCl 084f431780a63ff3cebb43ca20d6371f [0,2,0,0,0,0|2,0,0]=4 1135 B9R0.46 CCC(=O)CNCCCO ad1bcc1a73963d84d1bed75acffddf2c [0,2,0,0,0,0|2,0,0]=4 1136 B9R0.46 CCC(=O)CNCCOC 693ead41c34309cd3f7a29c394f51ce1 [0,2,0,0,0,0|1,1,0]=4 1137 B9R0.46 CCC(=O)CNCCSC 2cc7cb6ff233c8bbb657ae3043f92502 [0,2,0,0,0,0|1,0,0]=3 1138 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [0,2,0,0,0,0|2,0,0]=4 1139 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [0,2,0,0,0,0|2,0,0]=4 1140 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [0,2,0,0,0,0|1,1,0]=4 1141 B9R0.46 CCC(=O)COCCSC e6f60d5f418aa82fd04b87e25f46a06e [0,2,0,0,0,0|1,0,0]=3 1142 B9R0.46 CCC(=O)COCSC#N 97ebe19285422395c300721d172ed3a0 [0,2,0,0,0,0|1,0,1]=4 1143 B9R0.46 CCC(=O)NCCCCCl 8081b71d766c256ee6da55d9cbe39209 [0,2,0,0,0,0|2,0,0]=4 1144 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [0,2,0,0,0,0|2,0,0]=4 1145 B9R0.46 CCC(=O)NCCCCS 8259147db310bd3d03b77243f1626c91 [0,2,0,0,0,0|2,0,0]=4 1146 B9R0.46 CCC(=O)NCCCOC 3d06561303fae74e9ebe236f96b57cdc [0,2,0,0,0,0|1,1,0]=4 1147 B9R0.46 CCC(=O)NCCCSC c0a88e186e06619ed1f956bb505aa757 [0,2,0,0,0,0|1,0,0]=3 1148 B9R0.46 CCC(=O)NCCNCF 899c4179871cebc8419098e2257bf109 [0,2,0,0,0,0|2,0,0]=4 1149 B9R0.46 CCC(=O)NCCNCO 03dc81aae02f0d729bdddc35124dee9e [0,2,0,0,0,0|2,0,0]=4 1150 B9R0.46 CCC(=O)NCCOCF 23e78801b622f7fad277c2f392a8cb8f [0,2,0,0,0,0|1,1,0]=4 1151 B9R0.46 CCC(=O)OCCOCF dac9515ba882d559f224c99beb993b2d [0,2,0,0,0,0|1,1,0]=4 1152 B9R0.46 CCC(=O)OCOCOC b6e9338ebc927d2f6211f21a32802dfc [0,2,0,0,0,0|1,1,0]=4 1153 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [0,2,0,0,0,0|2,0,0]=4 1154 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [0,2,0,0,0,0|2,0,0]=4 1155 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [0,2,0,0,0,0|2,0,0]=4 1156 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [0,2,0,0,0,0|1,0,0]=3 1157 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [0,2,0,0,0,0|2,0,0]=4 1158 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [0,2,0,0,0,0|2,0,0]=4 1159 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [0,2,0,0,0,0|1,0,0]=3 1160 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [0,2,0,0,0,0|2,0,0]=4 1161 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [0,2,0,0,0,0|1,0,0]=3 1162 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [0,2,0,0,0,0|2,0,0]=4 1163 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [0,2,0,0,0,0|1,0,0]=3 1164 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [0,2,0,0,0,0|1,1,0]=4 1165 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [0,2,0,0,0,0|0,1,0]=3 1166 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [0,2,0,0,0,0|2,0,0]=4 1167 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [0,2,0,0,0,0|1,0,0]=3 1168 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [0,2,0,0,0,0|1,0,0]=3 1169 B9R0.46 CCNCCNC(=O)CC d05b1a7e2d3cebad7ef561e08a9f68d4 [0,2,0,0,0,0|2,0,0]=4 1170 B9R0.46 CCOC/C=C/C(=O)OC 768298698af36b745bc9dad60b33bf97 [0,2,0,0,0,0|0,1,1]=4 1171 B9R0.46 CCOCC#CC(=O)OC e15e1f9f4e388c6a32bbdba37a6a7dc7 [0,2,0,0,0,0|0,1,1]=4 1172 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [0,2,0,0,0,0|1,1,0]=4 1173 B9R0.46 CCOCCNC(=O)CC bb89549179010db70c29ee3b9f4248d0 [0,2,0,0,0,0|1,1,0]=4 1174 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [0,2,0,0,0,0|1,1,0]=4 1175 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [0,2,0,0,0,0|0,1,0]=3 1176 B9R0.46 CCOCNCC(=O)NC f84212f98b0436e90d32d034a917c879 [0,2,0,0,0,0|1,1,0]=4 1177 B9R0.46 CCOCNCC(=O)OC 27835f195b0bedba7d74a5f359d40b76 [0,2,0,0,0,0|0,1,0]=3 1178 B9R0.46 CCOCOCC(=O)CC a6933b2b2a32c7e2b806bc01fa6f7247 [0,2,0,0,0,0|1,1,0]=4 1179 B9R0.46 CCOCOCC(=O)NC 8e87944406fda3ab412201f3a710feed [0,2,0,0,0,0|1,1,0]=4 1180 B9R0.46 CCOCOCC(=O)OC 167c3e792b29957573aad87659d7bbe6 [0,2,0,0,0,0|0,1,0]=3 1181 B9R0.46 CCSCCNC(=O)C=O 3415b748537b6650cc2320e075e8660e [0,2,0,0,0,0|2,0,0]=4 1182 B9R0.46 CCSCCNC(=O)CC 70f4cbcf01905cc3c094d724b73e5668 [0,2,0,0,0,0|1,0,0]=3 1183 B9R0.46 CCSCCNC(=O)CF c8499d1a4cca566cb8cc55934ba02083 [0,2,0,0,0,0|2,0,0]=4 1184 B9R0.46 CCSCCNC(=O)CO f1c730e3c2ce8d72f812c2ff79daa704 [0,2,0,0,0,0|2,0,0]=4 1185 B9R0.46 CCSCCNC(=O)CS dde9b25e1370875d5dcea9a592ce2f24 [0,2,0,0,0,0|2,0,0]=4 1186 B9R0.46 CNC(=O)CCCOCF 65d9205729e2e6fd35291b183abc5c0f [0,2,0,0,0,0|1,1,0]=4 1187 B9R0.46 CNC(=O)CCNCC#N f9d9b9e0f612b8ed44f828a069dffade [0,2,0,0,0,0|2,0,0]=4 1188 B9R0.46 CNC(=O)CCNCC=O ab971eff2808e4d18fa50a459e3f9591 [0,2,0,0,0,0|2,0,0]=4 1189 B9R0.46 CNC(=O)CCNCCBr 58197e44cdc47ecbc8dd4c3ba9fbd95d [0,2,0,0,0,0|2,0,0]=4 1190 B9R0.46 CNC(=O)CCNCCF f16c5cbcb4052726e9c2dda8d55c554b [0,2,0,0,0,0|2,0,0]=4 1191 B9R0.46 CNC(=O)CCNCCI 836a7d9d868b77c781af9dba58b1ddcc [0,2,0,0,0,0|2,0,0]=4 1192 B9R0.46 CNC(=O)CCNCCO 98df73f33e1b075bda1acbb74fe1c8df [0,2,0,0,0,0|2,0,0]=4 1193 B9R0.46 CNC(=O)CCNCCS 4999ce45a3979a9d1ffaa8e0c584a82f [0,2,0,0,0,0|2,0,0]=4 1194 B9R0.46 CNC(=O)CCNCOC 7810742c9a7309d6a50e5583d1c7366c [0,2,0,0,0,0|1,1,0]=4 1195 B9R0.46 CNC(=O)CCNCSC 0dbf9ad1e8e43ecf93b4bf63fc81dbaa [0,2,0,0,0,0|1,0,0]=3 1196 B9R0.46 CNC(=O)CCOCC#N 1d6a2dedb348f5671b6fd3373837847c [0,2,0,0,0,0|1,1,0]=4 1197 B9R0.46 CNC(=O)CCOCC=O abc7294946efcd96050b75607b925699 [0,2,0,0,0,0|1,1,0]=4 1198 B9R0.46 CNC(=O)CCOCCF b2e22a035cc2bd25c7b85b567f74cd31 [0,2,0,0,0,0|1,1,0]=4 1199 B9R0.46 CNC(=O)CCOCCS 067360fe45250b4deb2a92820d379203 [0,2,0,0,0,0|1,1,0]=4 1200 B9R0.46 CNC(=O)CCOCOC 00bdc051d7b098bed36277179c4c7787 [0,2,0,0,0,0|1,1,0]=4 1201 B9R0.46 CNC(=O)CCOCSC 32815e6ae018d6bf0c0d70259f25dc15 [0,2,0,0,0,0|1,0,0]=3 1202 B9R0.46 CNC(=O)CNCCCCl f33da0edd3b1ca6fafd30e8619d6f908 [0,2,0,0,0,0|2,0,0]=4 1203 B9R0.46 CNC(=O)CNCCCF c99e6740355bd3fd86f46be04b37b088 [0,2,0,0,0,0|2,0,0]=4 1204 B9R0.46 CNC(=O)CNCCCO 04620384c25840fda6cec1980d6e4534 [0,2,0,0,0,0|2,0,0]=4 1205 B9R0.46 CNC(=O)CNCCCS 9aea9ea78dd221b27be1bb53af4227f5 [0,2,0,0,0,0|2,0,0]=4 1206 B9R0.46 CNC(=O)CNCCOC 3560372e49cfd1a2ba747ed656f2948c [0,2,0,0,0,0|1,1,0]=4 1207 B9R0.46 CNC(=O)CNCCSC 5d20087e449164cd64dc97de1cf3722d [0,2,0,0,0,0|1,0,0]=3 1208 B9R0.46 CNC(=O)CNCSC#N a52bf6e035697019685e9d4b80ee30cc [0,2,0,0,0,0|1,0,1]=4 1209 B9R0.46 CNC(=O)COCCCF 8229e19515927d2310fcb0ba5e5996c9 [0,2,0,0,0,0|2,0,0]=4 1210 B9R0.46 CNC(=O)COCCCS 5ab090b2e2f4779a1f6ba14a86fa323f [0,2,0,0,0,0|2,0,0]=4 1211 B9R0.46 CNC(=O)COCCOC b7ef10bc05872848d2a63f248fdeadb8 [0,2,0,0,0,0|1,1,0]=4 1212 B9R0.46 CNC(=O)COCCSC 843ca49f0bc1f19fb66ac222247b788e [0,2,0,0,0,0|1,0,0]=3 1213 B9R0.46 COC(=O)/C=C/COCF 14619ecef9c0e27816532aca1dafa54e [0,2,0,0,0,0|0,1,1]=4 1214 B9R0.46 COC(=O)C#CCOCF 2c49dc6e78eca5b4efbdd30c5a14c189 [0,2,0,0,0,0|0,1,1]=4 1215 B9R0.46 COC(=O)CCCNC#N c3ac6395e2552a003b0087420f82e6e2 [0,2,0,0,0,0|1,0,1]=4 1216 B9R0.46 COC(=O)CCCNC=O 8f1e475ecae02e6487f0d00c454ab8a4 [0,2,0,0,0,0|1,0,1]=4 1217 B9R0.46 COC(=O)CCCNCF e9250563d19357c2b217ddc01e5b54cc [0,2,0,0,0,0|1,0,0]=3 1218 B9R0.46 COC(=O)CCCNCO 7f4c543538d7d8c02923f8e5ee512b7d [0,2,0,0,0,0|1,0,0]=3 1219 B9R0.46 COC(=O)CCNCC#N f951188a0d42d764b1d0b96532bf9097 [0,2,0,0,0,0|1,0,0]=3 1220 B9R0.46 COC(=O)CCNCC=O 18818f3569d125c78fa9cd973dfcfc31 [0,2,0,0,0,0|1,0,0]=3 1221 B9R0.46 COC(=O)CCNCCBr 2e9d2d8ee2945dc03997f39ac9c22456 [0,2,0,0,0,0|1,0,0]=3 1222 B9R0.46 COC(=O)CCNCCF 2bfe6c663d75847c3cf0523a2f776449 [0,2,0,0,0,0|1,0,0]=3 1223 B9R0.46 COC(=O)CCNCCI f7228399f663e5c2847b83866d3779d1 [0,2,0,0,0,0|1,0,0]=3 1224 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [0,2,0,0,0,0|1,0,0]=3 1225 B9R0.46 COC(=O)CCNCCS 6b781ff091c75a1c77e9b99c78c0a8c2 [0,2,0,0,0,0|1,0,0]=3 1226 B9R0.46 COC(=O)CCNCSC f9cdc13e157a948defb075346b9d25c1 [0,2,0,0,0,0|0,0,0]=2 1227 B9R0.46 COC(=O)CCOCC#N e8ab08592658519cee32674e02824dae [0,2,0,0,0,0|0,1,0]=3 1228 B9R0.46 COC(=O)CCOCC=O e3e43780dfc83d77f81fdd568a9b5113 [0,2,0,0,0,0|0,1,0]=3 1229 B9R0.46 COC(=O)CCOCCF 628582c7630374a94e4bced8359c4233 [0,2,0,0,0,0|0,1,0]=3 1230 B9R0.46 COC(=O)CCOCCS 20528c74e4da9192ce01c8b31c16dba2 [0,2,0,0,0,0|0,1,0]=3 1231 B9R0.46 COC(=O)CCOCSC f8c9563c56621b9e36b8626b322b47d8 [0,2,0,0,0,0|0,0,0]=2 1232 B9R0.46 COC(=O)CNC/C=C/Cl a01434ef4f80386613e7473c35b07ee2 [0,2,0,0,0,0|1,0,1]=4 1233 B9R0.46 COC(=O)CNC/C=C\Cl 0d1c6b89fdaccd072fef481c844f4a10 [0,2,0,0,0,0|1,0,1]=4 1234 B9R0.46 COC(=O)CNC/C=C\O a9a562a66aacb3d83c4e8fefe4a8b08a [0,2,0,0,0,0|1,0,1]=4 1235 B9R0.46 COC(=O)CNCCC#N 3a5596acc946f2f66bd1780540815e17 [0,2,0,0,0,0|1,0,1]=4 1236 B9R0.46 COC(=O)CNCCC=O d85234be549d90df78a6b5c9d1ea9a55 [0,2,0,0,0,0|1,0,1]=4 1237 B9R0.46 COC(=O)CNCCCCl 55e51726dd18a7f132b3e21305569abc [0,2,0,0,0,0|1,0,0]=3 1238 B9R0.46 COC(=O)CNCCCF e93d46be851bbddb3a2f9941aeed8ff2 [0,2,0,0,0,0|1,0,0]=3 1239 B9R0.46 COC(=O)CNCCCO 46abbcbf049316d92b11742c7ee09635 [0,2,0,0,0,0|1,0,0]=3 1240 B9R0.46 COC(=O)CNCCCS cea58286d3c1d454f8ec51cb225d8c9b [0,2,0,0,0,0|1,0,0]=3 1241 B9R0.46 COC(=O)CNCCON 518a9c0719f794ca86addc5e0064106c [0,2,0,0,0,0|1,1,0]=4 1242 B9R0.46 COC(=O)CNCCSC 8c188a6ed92fc6374ee2a2dbcfcee1cb [0,2,0,0,0,0|0,0,0]=2 1243 B9R0.46 COC(=O)COC/C=C/Cl ca87e019fe654c1c30b4df9247271e00 [0,2,0,0,0,0|1,0,1]=4 1244 B9R0.46 COC(=O)COC/C=C\Cl 7e3835851c3d20a0e07693e7ac4e0797 [0,2,0,0,0,0|1,0,1]=4 1245 B9R0.46 COC(=O)COCC#CI 601d3a88a8af586628860f7e10a91540 [0,2,0,0,0,0|1,0,1]=4 1246 B9R0.46 COC(=O)COCC=CCl e95fa54a3b0e4875b8e3f651539cfbca [0,2,0,0,0,0|1,0,1]=4 1247 B9R0.46 COC(=O)COCCC#N b3c30530df1b1afb53bc332a70d862d0 [0,2,0,0,0,0|1,0,1]=4 1248 B9R0.46 COC(=O)COCCC=O d435b929cf2021dadfc1dd5d8636ed9e [0,2,0,0,0,0|1,0,1]=4 1249 B9R0.46 COC(=O)COCCCF eb4d08d12a32347963985a219a2436b3 [0,2,0,0,0,0|1,0,0]=3 1250 B9R0.46 COC(=O)COCCCS cead342093671334804d8e04218fd18f [0,2,0,0,0,0|1,0,0]=3 1251 B9R0.46 COC(=O)COCCSC f6bc7966168712e9ed4ac4cc1e9f6f92 [0,2,0,0,0,0|0,0,0]=2 1252 B9R0.46 COC(=O)COCSC#N 713279c141398d0d127d070507bc6224 [0,2,0,0,0,0|0,0,1]=3 1253 B9R0.46 COC(=O)OCCOCF e98dd05af7d2c94f94e4f3d0e2ed855c [0,2,0,0,0,0|0,1,0]=3 1254 B9R0.46 COC(=O)OCNCC#N 045f0884b9d475c06988e26f5121ff75 [0,2,0,0,0,0|2,0,0]=4 1255 B9R0.46 COC(=O)OCNCCBr 31572077acbc74c497adea5aac59608a [0,2,0,0,0,0|2,0,0]=4 1256 B9R0.46 COC(=O)OCNCCF 9ec05e01e27cce8275ad02a170f5dd3b [0,2,0,0,0,0|2,0,0]=4 1257 B9R0.46 COC(=O)OCNCCI dc24908a9e581c38488bf4a686543a37 [0,2,0,0,0,0|2,0,0]=4 1258 B9R0.46 COC(=O)OCNCCO b043b1f4c8b6ead733606d48fba1c12c [0,2,0,0,0,0|2,0,0]=4 1259 B9R0.46 COC(=O)OCNCCS cd076bc84e1a0cc472243a4b15b32669 [0,2,0,0,0,0|2,0,0]=4 1260 B9R0.46 COC(=O)OCOCC#N 279647fa46f04f17f6dab50372b69939 [0,2,0,0,0,0|1,1,0]=4 1261 B9R0.46 COC(=O)OCOCCF d50173eb55ebfa5b25ba82997eed753c [0,2,0,0,0,0|1,1,0]=4 1262 B9R0.46 COC(=O)OCOCCS 04092d40ea56244b727f94fb9a6b6f65 [0,2,0,0,0,0|1,1,0]=4 1263 B9R0.46 COC(C)CCOCSC fec9b5ceb3905c164175b48b0617f9e8 [0,2,0,0,0,0|1,0,1]=4 1264 B9R0.46 COC(C)CNCCSC bee3110cd636555634eaa3f638a90584 [0,2,0,0,0,0|1,0,1]=4 1265 B9R0.46 COC(C)COCCSC 1712cb8dc7dc99510f49e6135d79a303 [0,2,0,0,0,0|1,0,1]=4 1266 B9R0.46 COCCNCC(=O)OC c9c694c5a89b651170c8ff4da2275f98 [0,2,0,0,0,0|0,1,0]=3 1267 B9R0.46 COCCOCC(=O)OC 2c6ae10da48fe440860bfbd6b88c257a [0,2,0,0,0,0|0,1,0]=3 1268 B9R0.46 COCNCCC(=O)OC ce81a92d5ba5f01cc4823c162f22f501 [0,2,0,0,0,0|0,1,0]=3 1269 B9R0.46 COCOCCC(=O)OC 6aede0cdfec6dbd64f8c4300c142c36f [0,2,0,0,0,0|0,1,0]=3 1270 B9R0.46 COCOCOC(=O)OC 831dc3cd656f1065c91c21085ad03026 [0,2,0,0,0,0|0,1,0]=3 1271 B9R0.46 CO[C@@H](C)CNCCSC 823d9783fd20223f0cfa5f930cc37e10 [0,2,0,0,0,0|1,0,1]=4 1272 B9R0.46 CO[C@@H](C)COCCSC 06d7c64c32a29bcd6c4c052301655847 [0,2,0,0,0,0|1,0,1]=4 1273 B9R0.46 CO[C@H](C)CNCCSC f3d48b9147b91667148120f98170f240 [0,2,0,0,0,0|1,0,1]=4 1274 B9R0.46 CO[C@H](C)COCCSC 52a88c9bc4239f0e6e0ce23024040490 [0,2,0,0,0,0|1,0,1]=4 1275 B9R0.46 CSCCCNC(=O)C=O 28d590702e0165389862aff03ca57c7e [0,2,0,0,0,0|2,0,0]=4 1276 B9R0.46 CSCCCNC(=O)CF 9acc223c1c2784c04c0f9edcd685c29e [0,2,0,0,0,0|2,0,0]=4 1277 B9R0.46 CSCCCNC(=O)CO ce8082938571d6f8f53b5bb113c8236b [0,2,0,0,0,0|2,0,0]=4 1278 B9R0.46 CSCCCNC(=O)CS 3a7b1932bb117f738cca455d7c7d4dbd [0,2,0,0,0,0|2,0,0]=4 1279 B9R0.46 CSCCNCC(=O)CO 7c89e5a1f006448fd613535cd28802ad [0,2,0,0,0,0|2,0,0]=4 1280 B9R0.46 CSCCNCC(=O)NO f6a47dfef283be8a8bff346305d276b6 [0,2,0,0,0,0|2,0,0]=4 1281 B9R0.46 CSCNCCC(=O)NO 25a1df3c9f97b1c3c1f0ca74400b5fbb [0,2,0,0,0,0|2,0,0]=4 1282 B9R0.47 C=C(Br)C(=O)NCCSC 533e18dc72262d1f1266f8efdfd4eb7b [0,2,0,0,0,0|1,0,1]=4 1283 B9R0.47 C=C(C)C(=O)NCCCC 9633bcca99f1bcc8d8b16f91ececec4f [0,2,0,0,0,0|2,0,0]=4 1284 B9R0.47 C=C(C)C(=O)NCCOC 87850b33e1168d3d83dd4d909e222ff7 [0,2,0,0,0,0|1,1,0]=4 1285 B9R0.47 C=C(C)C(=O)NCCSC 1532490e2baec798b8deb350615b603d [0,2,0,0,0,0|1,0,0]=3 1286 B9R0.47 C=C(Cl)C(=O)NCCSC cdfaff3e799e059f1e09b178ee5724fd [0,2,0,0,0,0|1,0,1]=4 1287 B9R0.47 C=C(F)C(=O)NCCSC 5fc3231dbddcb17ae2a15c77acd8a95f [0,2,0,0,0,0|1,0,1]=4 1288 B9R0.47 CCCCNC(=O)C(=O)C e2af56b2a4daa16b7084e7fa0ba1fc1b [0,2,0,0,0,0|2,0,0]=4 1289 B9R0.47 CCCCNC(=O)C(C)F fdb65ff91133c27b3ebb75d20a9f2f4e [0,2,0,0,0,0|2,0,0]=4 1290 B9R0.47 CCCCNC(=O)C(C)O 869307c83e8c07004b30ff19276a13f2 [0,2,0,0,0,0|2,0,0]=4 1291 B9R0.47 CCCCNC(=O)C(C)S 407fba19f003dbd0035cfcbae9d2b461 [0,2,0,0,0,0|2,0,0]=4 1292 B9R0.47 CCCCNC(=O)[C@@H](C)F 802b8883268c6ffd6ce1498e2886bd12 [0,2,0,0,0,0|2,0,0]=4 1293 B9R0.47 CCCCNC(=O)[C@@H](C)O 7ecb649f950e3b6c5f53bd62fbec3619 [0,2,0,0,0,0|2,0,0]=4 1294 B9R0.47 CCCCNC(=O)[C@H](C)F be2c51c0de91c244b1db314ffeb2bb50 [0,2,0,0,0,0|2,0,0]=4 1295 B9R0.47 CCCCNC(=O)[C@H](C)O fd6bb0fb1788b038b750625ab18ad066 [0,2,0,0,0,0|2,0,0]=4 1296 B9R0.47 CCCNCC(=O)C(=O)C 7ba1a39130517d9740af6669e15ee16e [0,2,0,0,0,0|2,0,0]=4 1297 B9R0.47 CCCNCC(=O)C(C)C ab221357b3690899244bb21efed4f4b7 [0,2,0,0,0,0|2,0,0]=4 1298 B9R0.47 CCCNCC(=O)N(C)C 7dde1b38f644d84258d9ad7df395dcdf [0,2,0,0,0,0|2,0,0]=4 1299 B9R0.47 CCCOCC(=O)C(=O)C ab7906fc53dd4771247d3e1650b32b1f [0,2,0,0,0,0|2,0,0]=4 1300 B9R0.47 CCCOCC(=O)C(C)C 507657e3c567336d1a3cd45ed59e26ae [0,2,0,0,0,0|2,0,0]=4 1301 B9R0.47 CCCOCC(=O)N(C)C 60bb67d4b12ba83cc5c96b736e14dfde [0,2,0,0,0,0|2,0,0]=4 1302 B9R0.47 CCNCCC(=O)N(C)C 31ac88073e0390ad24f404467999f4e5 [0,2,0,0,0,0|2,0,0]=4 1303 B9R0.47 CCOCCC(=O)N(C)C 1fa443e67dc6c2b4f6ab7a2e8b19188d [0,2,0,0,0,0|1,1,0]=4 1304 B9R0.47 CN(C)C(=O)CCNCF 95ff0a67f346cc9f4d4d52396bcd7f5a [0,2,0,0,0,0|2,0,0]=4 1305 B9R0.47 CN(C)C(=O)CCNCO 09a0284ccfe751918482ae9cddd8d0c6 [0,2,0,0,0,0|2,0,0]=4 1306 B9R0.47 CN(C)C(=O)CCOCF 60c9f6a1cc14c33ac66b3731941678d0 [0,2,0,0,0,0|1,1,0]=4 1307 B9R0.47 COCCNC(=O)C(=O)C f846514379f6b702aa68a0ceacb0fbaf [0,2,0,0,0,0|1,1,0]=4 1308 B9R0.47 COCCNC(=O)C(C)F bc4e9d7c52d2c9dc255b10e9390297cb [0,2,0,0,0,0|1,1,0]=4 1309 B9R0.47 COCCNC(=O)C(C)O bd8eb58c32ebe9e951d589f141c95141 [0,2,0,0,0,0|1,1,0]=4 1310 B9R0.47 COCCNC(=O)C(C)S 877901446246d2e87745fd1379dff32a [0,2,0,0,0,0|1,1,0]=4 1311 B9R0.47 COCCNC(=O)[C@@H](C)F 495725064ae3f5a4a7da045df6fbdf77 [0,2,0,0,0,0|1,1,0]=4 1312 B9R0.47 COCCNC(=O)[C@@H](C)O 7a8a86452d9621b5e1c18fbcb9ec50d8 [0,2,0,0,0,0|1,1,0]=4 1313 B9R0.47 COCCNC(=O)[C@H](C)F 6217dc0226d1d43aafc74cceca41a0da [0,2,0,0,0,0|1,1,0]=4 1314 B9R0.47 COCCNC(=O)[C@H](C)O 4485241eb055d94366ddc2cb35c0e7d2 [0,2,0,0,0,0|1,1,0]=4 1315 B9R0.47 COCNCC(=O)N(C)C 6050d9c259d5521ad57e3bf105df1583 [0,2,0,0,0,0|1,1,0]=4 1316 B9R0.47 COCOCC(=O)C(=O)C 6fb590035196a179937faad388dc9d16 [0,2,0,0,0,0|1,1,0]=4 1317 B9R0.47 COCOCC(=O)C(C)C 290c28c668560071f1675bdabb074833 [0,2,0,0,0,0|1,1,0]=4 1318 B9R0.47 COCOCC(=O)N(C)C e768e1a20c3dc6484d2d24ffa5e965a1 [0,2,0,0,0,0|1,1,0]=4 1319 B9R0.47 CSCCNC(=O)C(=O)C 2bbabd291a0fdfcfdf5281a9d3814734 [0,2,0,0,0,0|1,0,0]=3 1320 B9R0.47 CSCCNC(=O)C(=O)N 26a21f63aa2ab3367d77d9f5bd3605aa [0,2,0,0,0,0|2,0,0]=4 1321 B9R0.47 CSCCNC(=O)C(C)F ee44ac9c3be57939b089791dfbcac985 [0,2,0,0,0,0|1,0,0]=3 1322 B9R0.47 CSCCNC(=O)C(C)O 2fca3a63eda15c01cfa499c290367943 [0,2,0,0,0,0|1,0,0]=3 1323 B9R0.47 CSCCNC(=O)C(C)S 5d659e6574e55e6387186ac6e83082fe [0,2,0,0,0,0|1,0,0]=3 1324 B9R0.47 CSCCNC(=O)C(F)F 3052a3b11e35ffa92541d85c16237c34 [0,2,0,0,0,0|2,0,0]=4 1325 B9R0.47 CSCCNC(=O)C(O)O c0910150bc9dee79530b65c326fbcd8f [0,2,0,0,0,0|2,0,0]=4 1326 B9R0.47 CSCCNC(=O)[C@@H](C)F 98d506db497bf2e809fefc12f1d0924d [0,2,0,0,0,0|1,0,0]=3 1327 B9R0.47 CSCCNC(=O)[C@@H](C)O 8feb4ed6a2e9dced3d478d495b9c087b [0,2,0,0,0,0|1,0,0]=3 1328 B9R0.47 CSCCNC(=O)[C@H](C)F 98797268d912f77241e8b23dbb46bb21 [0,2,0,0,0,0|1,0,0]=3 1329 B9R0.47 CSCCNC(=O)[C@H](C)O 0c0f478c1f70984ae691f560cea18521 [0,2,0,0,0,0|1,0,0]=3 1330 B9R0.47 CSCNCC(=O)N(C)C e854f740c4eb41bca6c50179e0f02dd2 [0,2,0,0,0,0|1,0,0]=3 1331 B9R0.47 CSCOCC(=O)N(C)C 62edd7c85dafe5713097af24db3df4d6 [0,2,0,0,0,0|1,0,0]=3 1332 B9R0.50 CCC(C=O)NCCSC 523893d38d6c6c97e917442488ac314c [0,2,0,0,0,0|1,0,1]=4 1333 B9R0.50 CCC(C=O)OCCSC 8780cba04cd3e16c25c511f3ea76bd12 [0,2,0,0,0,0|1,0,1]=4 1334 B9R0.50 CCC(COCSC)OC b475aa922f822dc418830a12ad6386b4 [0,2,0,0,0,0|1,0,1]=4 1335 B9R0.50 COC(CNCSC)OC 76d7a815a67126905f1a7ed8f1122acf [0,2,0,0,0,0|0,0,2]=4 1336 B9R0.50 COC(COCSC)OC 87d765fdc712c50c27889caa173356f3 [0,2,0,0,0,0|0,0,2]=4 1337 B9R0.50 CO[C@@H](CO)CNCSC 57f667f3ac6e7063be42dc4cb137cea2 [0,2,0,0,0,0|0,0,2]=4 1338 B9R0.13 C/C=C(\OCSC)/C(=O)O 9c894bfd9598c733e4f3bb22ad8e947c [0,2,0,0,0,0|2,0,0]=4 1339 B9R0.42 COC(=O)CN(C)C(=O)C dba6f619f41ce5364c69da2ce0a7a9a2 [0,2,0,0,0,0|2,0,0]=4 1340 B9R0.42 COC(=O)CN(C)C(C)C 2c82446aed6694c498b8b1d3cd1cfa29 [0,2,0,0,0,0|2,0,0]=4 1341 B9R0.21 COC(=O)CNC(C)(C)C 46c32fde144901f82ab920e5e82a2fde [0,2,0,0,0,0|2,0,0]=4 1342 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,1,0,0|2,0,0]=4 1343 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [1,0,0,1,0,0|2,0,0]=4 1344 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,1,0,1,0,0|2,0,0]=4 1345 B9R1.7 CCCN1CNC(=O)C1 3c5d5a0187668e5f708d17c495c62e95 [0,1,0,1,0,0|2,0,0]=4 1346 B9R1.7 CCNC1CNC(=O)C1 f034b1c0e5aa31eff338453bd1cde7f9 [0,1,0,1,0,0|2,0,0]=4 1347 B9R1.7 CCN[C@@H]1CNC(=O)C1 53d087e66deab9a5a56ba2147c98eebb [0,1,0,1,0,0|2,0,0]=4 1348 B9R1.7 CCN[C@H]1CNC(=O)C1 a0f226362b35f34e32c6ff7f460edeb1 [0,1,0,1,0,0|2,0,0]=4 1349 B9R1.7 CCOC1CCC(=O)C1 20f868b46959ea3477a4c5711e7faca7 [0,1,0,1,0,0|1,1,0]=4 1350 B9R1.7 CCOC1CNC(=O)C1 5dfdd0a06ecc1692efd79633b6c9fdb4 [0,1,0,1,0,0|1,1,0]=4 1351 B9R1.7 CCOC1COC(=O)C1 a14609c36cb4911f4d4f0326be24482c [0,1,0,1,0,0|0,1,0]=3 1352 B9R1.7 CCO[C@@H]1CNC(=O)C1 a15700fb6c9d37d8c11af797ede2320b [0,1,0,1,0,0|1,1,0]=4 1353 B9R1.7 CCO[C@@H]1COC(=O)C1 f08fd85a64aaf6d51d762bf437e965d8 [0,1,0,1,0,0|0,1,0]=3 1354 B9R1.7 CCO[C@H]1CNC(=O)C1 442cd5fabba5f8376815e4dbe7155a78 [0,1,0,1,0,0|1,1,0]=4 1355 B9R1.7 CCO[C@H]1COC(=O)C1 b5b6c1c9b0e94e583c1e7d2706c4af7c [0,1,0,1,0,0|0,1,0]=3 1356 B9R1.7 COCN1CNC(=O)C1 4d18d6941c5616557bae4715cf80a3fe [0,1,0,1,0,0|1,1,0]=4 1357 B9R1.7 CSCN1CNC(=O)C1 8211b253328c1403ea89b1b99e3beec2 [0,1,0,1,0,0|1,0,0]=3 1358 B9R1.7 O=C1CC(CN1)NCF 980988dcb4ccee82cda1dab38be331e2 [0,1,0,1,0,0|2,0,0]=4 1359 B9R1.7 O=C1CC(CN1)NCO c052098805d668d6f4ada358e57e4112 [0,1,0,1,0,0|2,0,0]=4 1360 B9R1.7 O=C1CC(CN1)OCF 23b0d8d04434c7a4a01cc694371532a0 [0,1,0,1,0,0|1,1,0]=4 1361 B9R1.7 O=C1CC(CO1)OCF 6ccdee68b23c369d52f71b4fd0fa7d68 [0,1,0,1,0,0|0,1,0]=3 1362 B9R1.7 O=C1CCC(C1)OCF 98c190e459e55f64b9e25e39bcd16a19 [0,1,0,1,0,0|1,1,0]=4 1363 B9R1.7 O=C1C[C@@H](CN1)NCF 411e6e79f87d54e44a2955c578af83cf [0,1,0,1,0,0|2,0,0]=4 1364 B9R1.7 O=C1C[C@@H](CN1)NCO b284e47e22d89750e99df8321f442760 [0,1,0,1,0,0|2,0,0]=4 1365 B9R1.7 O=C1C[C@@H](CN1)OCF 6723427409ff1f842102a48ad1f1d075 [0,1,0,1,0,0|1,1,0]=4 1366 B9R1.7 O=C1C[C@@H](CO1)OCF 51d79eb5dd5903751f5c379bd3b2cb3a [0,1,0,1,0,0|0,1,0]=3 1367 B9R1.7 O=C1C[C@H](CN1)NCF cd4abacc4820bcd0298dba28188d9f98 [0,1,0,1,0,0|2,0,0]=4 1368 B9R1.7 O=C1C[C@H](CN1)NCO 5fed0c6db4b7f4ec518dffff77ba236f [0,1,0,1,0,0|2,0,0]=4 1369 B9R1.7 O=C1C[C@H](CN1)OCF ef977050908cc65ab7cc2785915cf0cb [0,1,0,1,0,0|1,1,0]=4 1370 B9R1.7 O=C1C[C@H](CO1)OCF f528bbda1523620d35f6549c89ffa164 [0,1,0,1,0,0|0,1,0]=3 1371 B9R1.8 CCOC1CCSCC1 45ac356b0a4faae19c54a0a24f086ac8 [0,1,0,1,0,0|1,0,1]=4 1372 B9R1.8 COCN1CCSCC1 308d36f4884a7cae506767190520e482 [0,1,0,1,0,0|2,0,0]=4 1373 B9R1.8 FCOC1CCSCC1 ffe07c58d9e9428e4fca6606dc29744c [0,1,0,1,0,0|1,0,1]=4 1374 B9R1.20 CO[C@H]1C[C@H]1NCSC 5a29fd75c948781c76b5ee517de3d99a [0,1,0,1,0,0|1,0,1]=4 1375 B9R1.33 CCNC1CONC1=O d8916a3b97038fb92765b79c0c2fa307 [0,1,0,1,0,0|2,0,0]=4 1376 B9R1.33 CCN[C@@H]1CCOC1=O 74b3897799f45738d0bb44924384c10e [0,1,0,1,0,0|2,0,0]=4 1377 B9R1.33 CCN[C@@H]1CONC1=O e20045b5ef59313798e9b6a92cce0e1a [0,1,0,1,0,0|2,0,0]=4 1378 B9R1.33 CCN[C@H]1CCOC1=O 5ec21f69d9ce47df74aa6d4e2b7c83d0 [0,1,0,1,0,0|2,0,0]=4 1379 B9R1.33 CCN[C@H]1CONC1=O 12c871b200af3033c6d6052f529438ff [0,1,0,1,0,0|2,0,0]=4 1380 B9R1.58 COC1CN(C1)CSC ffcd81e2a3fb326a8069a65b2568b6e9 [0,1,0,1,0,0|1,0,1]=4 1381 B9R1.58 COCN1CC(C1)SC b334ad283739ca4cec10938827c9ff6d [0,1,0,1,0,0|2,0,0]=4 1382 B9R1.73 COCC(=O)N1CCC1 1be76b59a082c319721774708b7b97ff [0,1,0,1,0,0|2,0,0]=4 1383 B9R1.75 COCC(=O)NC1CC1 3e0ae29c7d67528f5cd80a5eb561d9e7 [0,1,0,1,0,0|2,0,0]=4 1384 B9R1.11 C#CC(=O)N1CCSC1 ef06811484d4f37b752b479a5dc3a849 [0,1,0,1,0,0|1,0,1]=4 1385 B9R1.11 C=CC(=O)N1CCSC1 a5599d2b46a9d9d8936fb5078325ddb8 [0,1,0,1,0,0|1,0,1]=4 1386 B9R1.11 CCC(=O)N1CCSC1 3ce8f4b9bb30c56930dd747741a3850d [0,1,0,1,0,0|1,0,0]=3 1387 B9R1.11 O=C(CF)N1CCSC1 eacbec5fcbfc18b5c0a66a32cbc0f69e [0,1,0,1,0,0|2,0,0]=4 1388 B9R1.11 O=C(CO)N1CCSC1 42095cf2ba0d7bb360a067bfcbd5ee52 [0,1,0,1,0,0|2,0,0]=4 1389 B9R1.11 O=C(CS)N1CCSC1 71a0523988e04d9809876a858a8ce17f [0,1,0,1,0,0|2,0,0]=4 1390 B9R1.11 O=CC(=O)N1CCSC1 02d916dd4e464b645172bc4a3b594cce [0,1,0,1,0,0|2,0,0]=4 1391 B9R1.88 CCN1CC1C(=O)OC f034603aa7057edd7cbcbf568fb8f16a [0,1,0,1,0,0|1,0,0]=3 1392 B9R1.88 CCN1C[C@H]1C(=O)OC f91fd31959795f4d191be975337de98c [0,1,0,1,0,0|1,0,0]=3 1393 B9R1.88 COC(=O)C1CN1C=O 588dcce17856369a72bee49e63aa5f80 [0,1,0,1,0,0|1,0,1]=4 1394 B9R1.88 COC(=O)C1CN1CF d8920555019a1b54b1f0294fbc450fb1 [0,1,0,1,0,0|1,0,0]=3 1395 B9R1.88 COC(=O)C1CN1CO 90cf4da76cb7c6fe31b6fb3dc60e8f6c [0,1,0,1,0,0|1,0,0]=3 1396 B9R1.88 COC(=O)[C@@H]1CN1C=O 82e6a0f30996b86a83ff0a70536c326f [0,1,0,1,0,0|1,0,1]=4 1397 B9R1.88 COC(=O)[C@@H]1CN1CF fc01eb2b8dee62155c1b6ba0209f1261 [0,1,0,1,0,0|1,0,0]=3 1398 B9R1.88 COC(=O)[C@@H]1CN1CO 09a2b35b3698420a9a82ac9cd52accec [0,1,0,1,0,0|1,0,0]=3 1399 B9R1.17 CSCNCC1CCO1 328bf74167d16da0914611f3f3e751dc [0,1,0,1,0,0|1,0,1]=4 1400 B9R1.17 CSCNC[C@@H]1CCO1 3c03b7cc5edaa459ca746f76327098c6 [0,1,0,1,0,0|1,0,1]=4 1401 B9R1.17 CSCNC[C@H]1CCO1 6992e1ef181b45eb16d0516db549e105 [0,1,0,1,0,0|1,0,1]=4 1402 B9R1.17 CSCOCC1CCO1 6c8e2111a3f94134e80bf8dc4d57f591 [0,1,0,1,0,0|1,0,1]=4 1403 B9R1.17 CSCOC[C@@H]1CCO1 8deef529a0cde32bbd303d6f89fa57ab [0,1,0,1,0,0|1,0,1]=4 1404 B9R1.17 CSCOC[C@H]1CCO1 63e1bb878dc9711500979a8b17c3ea2f [0,1,0,1,0,0|1,0,1]=4 1405 B9R1.39 CCCN[C@H]1CNC1=O d54fb2abe7455950df3e037f3ce21945 [0,1,0,1,0,0|2,0,0]=4 1406 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,1,0,1,0,0|2,0,0]=4 1407 B9R1.39 CCOCC1CCC1=O a06c32f97be82794ffc1ab53b750de7f [0,1,0,1,0,0|1,1,0]=4 1408 B9R1.39 COCN[C@H]1CNC1=O 79ec673944e269da0c81c295a4fdcfe4 [0,1,0,1,0,0|1,1,0]=4 1409 B9R1.39 COCOC1CCC1=O cb47f60d015388daefcfa2b6dd0ad8dd [0,1,0,1,0,0|1,1,0]=4 1410 B9R1.39 CSCNC1COC1C f33ebb234812c65dac41135acfb7c83e [0,1,0,1,0,0|1,0,1]=4 1411 B9R1.39 CSCN[C@H]1CNC1=O 13ab6649debaba6c049234ac9c541a81 [0,1,0,1,0,0|1,0,0]=3 1412 B9R1.39 CSCOC1CCC1=O 7048061bc11cd0d22a524721b970ff41 [0,1,0,1,0,0|1,0,0]=3 1413 B9R1.39 CSCOC1COC1C cb05f9c80aaeb7fc960a3c63ceeef86b [0,1,0,1,0,0|1,0,1]=4 1414 B9R1.39 N#CNCC1COC1=O 508bdf99e0140a74c7a5a76be82c820d [0,1,0,1,0,0|1,0,1]=4 1415 B9R1.39 O=C1CCC1COCF 1634c48acd08b0642ca0e9a669398342 [0,1,0,1,0,0|1,1,0]=4 1416 B9R1.78 CCC(=O)NC1CC1C 42c677a5541bbbde1b9869b4aa770e12 [0,1,0,1,0,0|2,0,0]=4 1417 B9R1.79 C=C(CN1CCC1)OC 23e2180b78c76bcf0541659ef038c4a5 [0,1,0,1,0,0|2,0,0]=4 1418 B9R1.79 CCC(=O)CN1CCC1 9b8a54515dd7b03c067360cc9113002b [0,1,0,1,0,0|2,0,0]=4 1419 B9R1.79 CCC(=O)NC1CCC1 269364fc2d30f4a38dda69b505509556 [0,1,0,1,0,0|2,0,0]=4 1420 B9R1.79 CCC(=O)NC1COC1 6739d08e29bd2fa57d1040e7a261b158 [0,1,0,1,0,0|1,1,0]=4 1421 B9R1.79 CNC(=O)CN1CCC1 34c940b2505425ba8a151c0b3e8838b6 [0,1,0,1,0,0|2,0,0]=4 1422 B9R1.79 COC(=O)CN1CCC1 a8f3fa2cf91e8163638e85cafd81936a [0,1,0,1,0,0|1,0,0]=3 1423 B9R1.80 C=C(CNC1CC1)OC 67f94deee5acc57666c6c6c03c894ee9 [0,1,0,1,0,0|2,0,0]=4 1424 B9R1.80 C=C(COC1CC1)OC 2ca81d70db6d04dc129c451b52b91565 [0,1,0,1,0,0|2,0,0]=4 1425 B9R1.80 CCC(=O)CNC1CC1 37826a98e92108ea7fc6fac87e9bc89f [0,1,0,1,0,0|2,0,0]=4 1426 B9R1.80 CCC(=O)COC1CC1 91b908d3bdda21bf408da4d85b40356e [0,1,0,1,0,0|2,0,0]=4 1427 B9R1.80 CCC(=O)NCC1CC1 0fd8034b5195a5a694e4806b7766cc71 [0,1,0,1,0,0|2,0,0]=4 1428 B9R1.80 CNC(=O)CNC1CC1 7b00deb42f44eacf971e8df243f3d5fb [0,1,0,1,0,0|2,0,0]=4 1429 B9R1.80 CNC(=O)COC1CC1 ff73b75ee898dc4ab042a3386accab58 [0,1,0,1,0,0|2,0,0]=4 1430 B9R1.80 COC(=O)CNC1CC1 37b7063fe7ca1fcea414d9751a83b310 [0,1,0,1,0,0|1,0,0]=3 1431 B9R1.80 COC(=O)COC1CC1 ac4fde0d4cebfa3b71c6179e0035aa22 [0,1,0,1,0,0|1,0,0]=3 1432 B9R1.70 CCN(C=O)C1CSC1 d12a39c4d741d0504a82fe55e5adf0a0 [0,1,0,1,0,0|2,0,0]=4