0 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,0,0,0,0,0|4,0,0]=4 2 B6R0.4 C=C(Br)CNCF 7c97187d15161b8d316e611ae308f21e [0,0,0,0,0,0|4,0,0]=4 3 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.4 C=C(Br)COCF 692f2becec52dcdf557b19f93fe68748 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,0,0,0,0,0|4,0,0]=4 7 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,0,0,0,0,0|4,0,0]=4 8 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,0,0,0,0,0|4,0,0]=4 11 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.4 C=C(Cl)COCF ca79da42122b4115d17b6448109deb3c [0,0,0,0,0,0|4,0,0]=4 13 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,0,0,0,0,0|4,0,0]=4 14 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,0,0,0,0,0|4,0,0]=4 15 B6R0.4 C=C(I)COCF 7e74b05c12bc279148db4a6a8dd56e90 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,0,0,0,0,0|3,0,0]=3 19 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,0,0,0,0,0|2,0,2]=4 21 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,0,0,0,0,0|3,0,0]=3 23 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,0,0,0,0,0|3,0,0]=3 24 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,0,0,0,0,0|3,0,1]=4 28 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,0,0,0,0,0|3,0,1]=4 33 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,0,0,0,0,0|3,0,1]=4 34 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,0,0,0,0,0|3,0,0]=3 36 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,0,0,0,0,0|3,0,0]=3 37 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,0,0,0,0,0|3,1,0]=4 39 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,0,0,0,0,0|3,0,0]=3 40 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,0,0,0,0,0|3,0,1]=4 41 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,0,0,0,0,0|3,0,1]=4 42 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,0,0,0,0,0|2,0,2]=4 45 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,0,0,0,0,0|1,0,2]=3 46 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,0,0,0,0,0|3,0,1]=4 47 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,0,0,0,0,0|3,0,0]=3 48 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,0,0,0,0,0|3,0,0]=3 49 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,0,0,0,0,0|3,0,0]=3 50 B6R0.4 NC(=S)COCF 656cb42c290d81f49517967a9160e9b8 [0,0,0,0,0,0|3,1,0]=4 51 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,0,0,0,0,0|2,0,0]=2 52 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,0,0,0,0,0|2,0,0]=2 53 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,0,0,0,0,0|2,0,0]=2 54 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,0,0,0,0,0|3,0,0]=3 55 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,0,0,0,0,0|1,0,2]=4 59 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [1,0,0,0,0,0|1,0,2]=4 60 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|2,0,0]=3 61 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|2,0,0]=3 62 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|2,0,0]=3 63 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|2,0,0]=3 64 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|2,0,0]=3 65 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,0,0,0,0,0|2,0,1]=4 66 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,0,0,0,0,0|2,0,1]=4 67 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,0,0,0,0,0|2,0,1]=4 70 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,0,0,0,0,0|2,0,1]=4 71 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,1,0,0,0,0|3,0,0]=4 74 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,1,0,0,0,0|3,0,0]=4 76 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,1,0,0,0,0|2,0,0]=3 77 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,1,0,0,0,0|3,0,0]=4 78 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,1,0,0,0,0|3,0,0]=4 79 B7R0.2 CN(CF)CC(=O)N 35f09c99eb4485b888503c93a96568a5 [0,1,0,0,0,0|3,0,0]=4 80 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [0,1,0,0,0,0|2,0,0]=3 81 B7R0.2 CN(CO)CC(=O)N 731e626c7cf4b35c02c8b97f3321d2b5 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,1,0,0,0,0|2,0,0]=3 83 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,1,0,0,0,0|3,0,0]=4 86 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,1,0,0,0,0|3,0,0]=4 88 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,1,0,0,0,0|3,0,0]=4 89 B7R0.3 C#CCNC(=O)CO 2c93e118ea6c2ce38cf0db5343c819bd [0,1,0,0,0,0|2,0,1]=4 90 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,0,0,0,0|3,0,0]=4 91 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,1,0,0,0,0|3,0,0]=4 92 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,1,0,0,0,0|3,0,0]=4 93 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,1,0,0,0,0|3,0,0]=4 94 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,0,0,0,0|3,0,0]=4 95 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,1,0,0,0,0|3,0,0]=4 96 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,1,0,0,0,0|3,0,0]=4 97 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,0,0,0,0|3,0,0]=4 98 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,1,0,0,0,0|3,0,0]=4 99 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,0,0,0,0|3,0,0]=4 100 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,0,0,0,0|3,0,0]=4 101 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,0,0,0,0|3,0,0]=4 104 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,1,0,0,0,0|3,0,0]=4 106 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,1,0,0,0,0|3,0,0]=4 107 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,0,0,0,0|2,0,1]=4 108 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,0,0,0,0|2,0,0]=3 111 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,0,0,0,0|2,1,0]=4 112 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,1,0,0,0,0|3,0,0]=4 113 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,1,0,0,0,0|2,0,0]=3 114 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,1,0,0,0,0|2,0,0]=3 115 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,0,0,0,0|3,0,0]=4 116 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,1,0,0,0,0|3,0,0]=4 117 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,1,0,0,0,0|3,0,0]=4 119 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,1,0,0,0,0|3,0,0]=4 120 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,1,0,0,0,0|3,0,0]=4 121 B7R0.3 CN(CO)CCON 9c2ef7d0d0911f18089b0c9ab5d1316f [0,1,0,0,0,0|3,0,0]=4 122 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,1,0,0,0,0|3,0,0]=4 123 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,1,0,0,0,0|3,0,0]=4 124 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [0,1,0,0,0,0|1,0,2]=4 126 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,1,0,0,0,0|2,0,1]=4 127 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,1,0,0,0,0|2,0,0]=3 128 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,1,0,0,0,0|2,0,0]=3 129 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.3 N#CCNC(=O)CO 8dbd9904ced2105da92f338ff81f2cd3 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.3 N#CNCC(=O)CO 70d7ce6c717a89b56589c42b1345533c [0,1,0,0,0,0|1,0,2]=4 132 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,1,0,0,0,0|3,0,0]=4 133 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,1,0,0,0,0|3,0,0]=4 134 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,1,0,0,0,0|3,0,0]=4 135 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [0,1,0,0,0,0|2,0,0]=3 138 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [0,1,0,0,0,0|2,0,0]=3 139 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,1,0,0,0,0|2,0,0]=3 140 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,1,0,0,0,0|2,0,0]=3 141 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,1,0,0,0,0|2,0,0]=3 142 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,1,0,0,0,0|2,0,0]=3 143 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,1,0,0,0,0|2,0,0]=3 144 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,1,0,0,0,0|2,1,0]=4 145 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,1,0,0,0,0|2,1,0]=4 146 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,1,0,0,0,0|2,1,0]=4 147 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,1,0,0,0,0|2,1,0]=4 148 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,1,0,0,0,0|2,1,0]=4 149 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,1,0,0,0,0|2,0,1]=4 150 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,1,0,0,0,0|2,0,1]=4 151 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.3 O=CNCC(=O)NO 2a6f44f0a455b32a62c0f05c89977d8b [0,1,0,0,0,0|2,0,1]=4 155 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,1,0,0,0,0|2,0,1]=4 157 B7R0.4 C#CCNCC(=O)N 192103ba8fad459d76fc07062abce874 [0,1,0,0,0,0|2,0,1]=4 158 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,1,0,0,0,0|1,0,1]=3 159 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,1,0,0,0,0|1,0,1]=3 162 B7R0.4 C#CCOCS(=O)O 461253e78134dc3f8ca81d83bd120613 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,1,0,0,0,0|3,0,0]=4 164 B7R0.4 C=C(Br)CCOCF ea4ba58a0dda0d4ff610398e2a49e354 [0,1,0,0,0,0|3,0,0]=4 165 B7R0.4 C=C(Br)CNCCBr a2af0ee62ca630ae997fcbeaeff3ecd2 [0,1,0,0,0,0|3,0,0]=4 166 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,1,0,0,0,0|3,0,0]=4 167 B7R0.4 C=C(Br)CNCCF bdffe3c671a0357e35ee82ddc2a4b0c6 [0,1,0,0,0,0|3,0,0]=4 168 B7R0.4 C=C(Br)CNCCI 4f584c60421c6beb30ceb5a392863e01 [0,1,0,0,0,0|3,0,0]=4 169 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [0,1,0,0,0,0|3,0,0]=4 170 B7R0.4 C=C(Br)CNCCS dca08c6fd8d32a0e9dbeabff228c3836 [0,1,0,0,0,0|3,0,0]=4 171 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,1,0,0,0,0|3,0,0]=4 172 B7R0.4 C=C(Br)COCCF cd028c386ab5c9854ed6d44716188962 [0,1,0,0,0,0|3,0,0]=4 173 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [0,1,0,0,0,0|3,0,0]=4 174 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,0,0,0,0|3,0,0]=4 175 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,1,0,0,0,0|3,0,0]=4 176 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,1,0,0,0,0|3,0,0]=4 177 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,0,0,0,0|3,0,0]=4 178 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,1,0,0,0,0|3,0,0]=4 179 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,1,0,0,0,0|3,0,0]=4 180 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,0,0,0,0|3,0,0]=4 181 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,1,0,0,0,0|3,0,0]=4 182 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,1,0,0,0,0|3,0,0]=4 184 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,1,0,0,0,0|3,0,0]=4 185 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,0,0,0,0|3,0,0]=4 186 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,1,0,0,0,0|3,0,0]=4 187 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.4 C=C(Cl)CNCCBr 4c903b5932a03e4f5653cd57667fc373 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,1,0,0,0,0|3,0,0]=4 190 B7R0.4 C=C(Cl)CNCCF d37e8a2e77cb5d4ae23c734a326ed96f [0,1,0,0,0,0|3,0,0]=4 191 B7R0.4 C=C(Cl)CNCCI 9ea850a83a4ec71e5e79dc8899c3ed82 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [0,1,0,0,0,0|3,0,0]=4 193 B7R0.4 C=C(Cl)CNCCS c3d4b5e9deb92301fa96d0a10ab7e0a9 [0,1,0,0,0,0|3,0,0]=4 194 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,1,0,0,0,0|3,0,0]=4 195 B7R0.4 C=C(Cl)COCCF bfeec13c0fc32fddad28bd44930cedd4 [0,1,0,0,0,0|3,0,0]=4 196 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [0,1,0,0,0,0|3,0,0]=4 197 B7R0.4 C=C(F)CNCCBr a95231baef5e5cc0c38c7177c04d4cb2 [0,1,0,0,0,0|3,0,0]=4 198 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,1,0,0,0,0|3,0,0]=4 199 B7R0.4 C=C(F)CNCCF 3c9599d455fab8f8b1b7798a035b518b [0,1,0,0,0,0|3,0,0]=4 200 B7R0.4 C=C(F)CNCCI 3acf03f3fc80bbf3bcc0b632080eb4d2 [0,1,0,0,0,0|3,0,0]=4 201 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.4 C=C(F)CNCCS 93ef00bb86767141facd92bc2b3d3770 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,1,0,0,0,0|3,0,0]=4 204 B7R0.4 C=C(F)COCCF b7eb1549e162ff12acf84ad5b4d7b85c [0,1,0,0,0,0|3,0,0]=4 205 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [0,1,0,0,0,0|3,0,0]=4 206 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,1,0,0,0,0|3,0,0]=4 207 B7R0.4 C=C(I)COCCF a7f60a4ec955fff2b06cd1137598c7d9 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [0,1,0,0,0,0|3,0,0]=4 209 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,1,0,0,0,0|2,0,1]=4 210 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,1,0,0,0,0|2,0,1]=4 211 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,1,0,0,0,0|2,0,1]=4 212 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,1,0,0,0,0|1,0,1]=3 213 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,1,0,0,0,0|2,0,1]=4 214 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,1,0,0,0,0|2,0,1]=4 215 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,1,0,0,0,0|1,0,1]=3 216 B7R0.4 C=CCOCS(=O)O a1ef4061d59bf78682bff1f70f194383 [0,1,0,0,0,0|2,0,1]=4 217 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,1,0,0,0,0|1,0,2]=4 218 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,0,0,0,0|2,0,0]=3 219 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,1,0,0,0,0|1,0,2]=4 220 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,1,0,0,0,0|2,0,1]=4 221 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,0,0,0,0|2,0,0]=3 222 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,0,0,0,0|2,0,0]=3 223 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,0,0,0,0|2,0,0]=3 224 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,1,0,0,0,0|1,0,2]=4 225 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,1,0,0,0,0|2,0,1]=4 226 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,1,0,0,0,0|2,0,0]=3 227 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,1,0,0,0,0|1,0,2]=4 229 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,1,0,0,0,0|2,0,0]=3 230 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,1,0,0,0,0|2,0,0]=3 231 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,1,0,0,0,0|2,0,0]=3 232 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,1,0,0,0,0|3,0,0]=4 233 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,1,0,0,0,0|2,0,1]=4 234 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,1,0,0,0,0|2,0,1]=4 236 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,1,0,0,0,0|2,0,1]=4 237 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,1,0,0,0,0|2,0,1]=4 238 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,1,0,0,0,0|2,0,1]=4 239 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,1,0,0,0,0|2,0,1]=4 240 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,0,0,0,0|2,0,0]=3 241 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,0,0,0,0|2,0,0]=3 242 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,0,0,0,0|2,0,0]=3 243 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,0,0,0,0|1,0,0]=2 244 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,1,0,0,0,0|2,0,1]=4 245 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,1,0,0,0,0|2,0,1]=4 246 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,0,0,0,0|2,0,0]=3 249 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,0,0,0,0|2,0,0]=3 250 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,0,0,0,0|1,0,0]=2 251 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [0,1,0,0,0,0|2,1,0]=4 252 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,1,0,0,0,0|2,0,0]=3 253 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [0,1,0,0,0,0|2,0,1]=4 254 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,0,0,0,0|2,0,0]=3 255 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,0,0,0,0|1,0,0]=2 256 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [0,1,0,0,0,0|2,1,0]=4 257 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,1,0,0,0,0|2,0,1]=4 258 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,1,0,0,0,0|2,0,0]=3 260 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,1,0,0,0,0|2,0,1]=4 261 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,1,0,0,0,0|2,0,1]=4 262 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,0,0,0,0|2,0,0]=3 264 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,0,0,0,0|1,0,0]=2 265 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,1,0,0,0,0|3,0,0]=4 266 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [0,1,0,0,0,0|2,0,1]=4 267 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,1,0,0,0,0|3,0,0]=4 268 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,1,0,0,0,0|3,0,0]=4 269 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,1,0,0,0,0|3,0,0]=4 270 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,1,0,0,0,0|3,0,0]=4 272 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,1,0,0,0,0|2,0,0]=3 273 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,1,0,0,0,0|3,0,0]=4 274 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,1,0,0,0,0|3,0,0]=4 275 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,1,0,0,0,0|2,0,0]=3 276 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,1,0,0,0,0|3,0,0]=4 277 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [0,1,0,0,0,0|3,0,0]=4 278 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,1,0,0,0,0|3,0,0]=4 279 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,1,0,0,0,0|3,0,0]=4 280 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,1,0,0,0,0|3,0,0]=4 281 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,0,0,0,0|3,0,0]=4 282 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,1,0,0,0,0|3,0,0]=4 283 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,1,0,0,0,0|2,0,0]=3 284 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,0,0,0,0|3,0,0]=4 285 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,1,0,0,0,0|3,0,0]=4 286 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,1,0,0,0,0|2,0,0]=3 287 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,1,0,0,0,0|3,0,0]=4 288 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,1,0,0,0,0|2,0,1]=4 289 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,1,0,0,0,0|2,0,1]=4 290 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,1,0,0,0,0|2,0,1]=4 291 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,1,0,0,0,0|2,0,1]=4 292 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,1,0,0,0,0|2,0,1]=4 293 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,1,0,0,0,0|2,0,1]=4 294 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,1,0,0,0,0|2,0,1]=4 295 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,1,0,0,0,0|2,0,1]=4 296 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,1,0,0,0,0|2,0,1]=4 297 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,1,0,0,0,0|2,0,1]=4 298 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,1,0,0,0,0|2,0,1]=4 299 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,1,0,0,0,0|2,0,1]=4 300 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,1,0,0,0,0|2,0,1]=4 301 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,1,0,0,0,0|2,0,1]=4 302 B7R0.4 N#CCNCC(=O)N 1b074661588ba0117e64361bcac47550 [0,1,0,0,0,0|1,0,2]=4 303 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,1,0,0,0,0|0,0,2]=3 304 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,1,0,0,0,0|1,0,2]=4 305 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,1,0,0,0,0|0,0,2]=3 306 B7R0.4 N#CCOCS(=O)O b212d5bf711bec53582e905085b60440 [0,1,0,0,0,0|1,0,2]=4 307 B7R0.4 N#CNCCC(=O)N 8dd90bc67de63e662194ecc9ed95a453 [0,1,0,0,0,0|1,0,2]=4 308 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,1,0,0,0,0|0,0,2]=3 309 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,1,0,0,0,0|2,0,1]=4 310 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,1,0,0,0,0|2,0,0]=3 311 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,0,0,0,0|2,0,0]=3 312 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,1,0,0,0,0|2,0,0]=3 313 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,1,0,0,0,0|2,0,1]=4 314 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,1,0,0,0,0|2,0,0]=3 315 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,1,0,0,0,0|2,0,0]=3 316 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,1,0,0,0,0|2,0,0]=3 317 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,0,0,0,0|2,0,0]=3 318 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,1,0,0,0,0|2,0,0]=3 319 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,1,0,0,0,0|2,0,1]=4 320 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,1,0,0,0,0|2,0,0]=3 321 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,1,0,0,0,0|2,0,0]=3 322 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,1,0,0,0,0|3,0,0]=4 323 B7R0.4 NC(=S)CCNCF 62012331f0f1d467ca5d05133af230db [0,1,0,0,0,0|2,1,0]=4 324 B7R0.4 NC(=S)CCNCO b1a1fcd18ad0532e4bcb643182feba55 [0,1,0,0,0,0|2,1,0]=4 325 B7R0.4 NC(=S)COCCF 8a5f1604a4177fa750cc685bdfff5a09 [0,1,0,0,0,0|2,1,0]=4 326 B7R0.4 NC(=S)COCCS d0f39cb8cbdd46f7cd10195660ea1028 [0,1,0,0,0,0|2,1,0]=4 327 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,1,0,0,0,0|1,0,0]=2 328 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,0,0,0,0|1,0,0]=2 329 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,1,0,0,0,0|1,0,0]=2 330 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,1,0,0,0,0|1,0,0]=2 331 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,1,0,0,0,0|1,0,0]=2 332 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,1,0,0,0,0|1,0,0]=2 333 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,0,0,0,0|1,0,0]=2 334 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,1,0,0,0,0|1,0,0]=2 335 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,1,0,0,0,0|1,0,0]=2 336 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,1,0,0,0,0|1,0,0]=2 337 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,1,0,0,0,0|1,0,1]=3 338 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,1,0,0,0,0|1,0,1]=3 339 B7R0.4 O=CCOCS(=O)O 141d1f578b26500f644754e34ae7763f [0,1,0,0,0,0|2,0,1]=4 340 B7R0.4 O=CNCCS(=O)O 70e230477665e9d8fed41cd897568279 [0,1,0,0,0,0|2,0,1]=4 341 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [0,1,0,0,0,0|2,0,0]=3 342 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,1,0,0,0,0|2,0,0]=3 343 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,1,0,0,0,0|2,0,0]=3 344 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,1,0,0,0,0|2,0,0]=3 345 B7R0.4 O=[N+]([O-])CCOCF 048ee64abce7b74ac8debb2e802099ad [0,1,0,0,0,0|2,0,1]=4 346 B7R0.4 O=[N+]([O-])CNCCBr 8d7dbc08ef9e7230477a17444ab7b5ae [0,1,0,0,0,0|2,0,1]=4 347 B7R0.4 O=[N+]([O-])CNCCF 477bcadb2f3c366321e1c6b2187a7835 [0,1,0,0,0,0|2,0,1]=4 348 B7R0.4 O=[N+]([O-])CNCCI 6776c7bda5b734558507b53f175be3fd [0,1,0,0,0,0|2,0,1]=4 349 B7R0.4 O=[N+]([O-])CNCCO 69325ec3c6bcdbf7a6cebb6b1eb9806b [0,1,0,0,0,0|2,0,1]=4 350 B7R0.4 O=[N+]([O-])CNCCS 295b59c1dfc9e00bdb8a8fce46a4d66a [0,1,0,0,0,0|2,0,1]=4 351 B7R0.4 O=[N+]([O-])COCCF 7f34e8cd8176ba8269c13784fe80127e [0,1,0,0,0,0|2,0,1]=4 352 B7R0.4 O=[N+]([O-])COCCS 3483ea2430a9838c713aea5e4187205b [0,1,0,0,0,0|2,0,1]=4 353 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,1,0,0,0,0|3,0,0]=4 354 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,1,0,0,0,0|3,0,0]=4 355 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,1,0,0,0,0|3,0,0]=4 356 B7R0.5 CC(NC#N)C(=O)O 392de9697c4a5dcddc67adbe8abaabb3 [0,1,0,0,0,0|1,0,2]=4 357 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [0,1,0,0,0,0|3,0,0]=4 358 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,1,0,0,0,0|2,0,0]=3 359 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,1,0,0,0,0|3,0,0]=4 360 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,1,0,0,0,0|2,0,0]=3 361 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,1,0,0,0,0|3,0,0]=4 362 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,1,0,0,0,0|2,0,0]=3 363 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,1,0,0,0,0|3,0,0]=4 364 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,1,0,0,0,0|3,0,0]=4 365 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,1,0,0,0,0|2,0,0]=3 366 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,1,0,0,0,0|2,0,0]=3 367 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,1,0,0,0,0|3,0,0]=4 368 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,1,0,0,0,0|2,0,0]=3 369 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,1,0,0,0,0|3,0,0]=4 370 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,1,0,0,0,0|2,0,0]=3 371 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,1,0,0,0,0|3,0,0]=4 372 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,1,0,0,0,0|3,0,0]=4 373 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,1,0,0,0,0|2,0,0]=3 374 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,1,0,0,0,0|3,0,0]=4 375 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,1,0,0,0,0|2,0,0]=3 376 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,1,0,0,0,0|3,0,0]=4 377 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,1,0,0,0,0|2,0,0]=3 378 B7R0.5 C[C@@H](NC#N)C(=O)O e0e1898c2dc69a65dfbe178be463caf4 [0,1,0,0,0,0|1,0,2]=4 379 B7R0.5 C[C@@H](NCF)C(=O)N fc8e15aaec185b1ab510ce9a3e07d389 [0,1,0,0,0,0|3,0,0]=4 380 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [0,1,0,0,0,0|2,0,0]=3 381 B7R0.5 C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,1,0,0,0,0|3,0,0]=4 382 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,1,0,0,0,0|2,0,0]=3 383 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,1,0,0,0,0|3,0,0]=4 384 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,1,0,0,0,0|2,0,0]=3 385 B7R0.5 C[C@H](NC#N)C(=O)O 001f1128fc667ba9af909598a06ab98b [0,1,0,0,0,0|1,0,2]=4 386 B7R0.5 C[C@H](NCF)C(=O)N ec9ad2764694c43582e2759286389cce [0,1,0,0,0,0|3,0,0]=4 387 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,1,0,0,0,0|2,0,0]=3 388 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,1,0,0,0,0|3,0,0]=4 389 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,1,0,0,0,0|2,0,0]=3 390 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,1,0,0,0,0|3,0,0]=4 391 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,1,0,0,0,0|2,0,0]=3 392 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,1,0,0,0,0|2,0,0]=3 393 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,1,0,0,0,0|2,0,0]=3 394 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,1,0,0,0,0|3,0,0]=4 395 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,1,0,0,0,0|3,0,0]=4 396 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,1,0,0,0,0|2,0,1]=4 397 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,1,0,0,0,0|3,0,0]=4 398 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,1,0,0,0,0|3,0,0]=4 399 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,1,0,0,0,0|3,0,0]=4 400 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,1,0,0,0,0|3,0,0]=4 401 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,1,0,0,0,0|3,0,0]=4 402 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,1,0,0,0,0|3,0,0]=4 403 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,1,0,0,0,0|2,0,0]=3 404 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,1,0,0,0,0|3,0,0]=4 405 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,1,0,0,0,0|2,0,0]=3 406 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,1,0,0,0,0|3,0,0]=4 407 B7R0.8 CCNCS(=O)(=O)O bbcfc5d6d557b34dea0908a35a8ee7e3 [0,1,0,0,0,0|3,0,0]=4 408 B7R0.8 O=S(=O)(O)CNCF 6ea5362290a19bda60796e264970bbdb [0,1,0,0,0,0|3,0,0]=4 409 B7R0.8 O=S(=O)(O)CNCO 423f9b4bc47552a40f5125b8cb5a3832 [0,1,0,0,0,0|3,0,0]=4 410 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,0,1,0,0|3,0,0]=4 411 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,0,0,1,0,0|3,0,0]=4 412 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,1,0,0,0,0|2,0,0]=4 413 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,1,0,0,0,0|2,0,0]=4 414 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,1,0,0,0,0|2,0,0]=4 415 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [1,1,0,0,0,0|2,0,0]=4 416 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [1,1,0,0,0,0|1,0,1]=4 417 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [1,1,0,0,0,0|1,0,1]=4 418 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [1,1,0,0,0,0|1,0,1]=4 419 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,1,0,0,0,0|1,0,1]=4 420 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,1,0,0,0,0|2,0,0]=4 421 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,1,0,0,0,0|2,0,0]=4 422 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,1,0,0,0,0|2,0,0]=4 423 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,1,0,0,0,0|2,0,0]=4 424 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,1,0,0,0,0|2,0,0]=4 425 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,1,0,0,0,0|2,0,0]=4 426 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,1,0,0,0,0|2,0,0]=4 427 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,1,0,0,0,0|2,0,0]=4 428 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,1,0,0,0,0|2,0,0]=4 429 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,1,0,0,0,0|2,0,0]=4 430 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,1,0,0,0,0|2,0,0]=4 431 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,1,0,0,0,0|2,0,0]=4 432 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,1,0,0,0,0|2,0,0]=4 433 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,1,0,0,0,0|2,0,0]=4 434 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,1,0,0,0,0|1,0,0]=3 435 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,1,0,0,0,0|1,0,1]=4 436 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,1,0,0,0,0|1,0,0]=3 437 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,1,0,0,0,0|1,0,1]=4 438 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,1,0,0,0,0|1,0,0]=3 439 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,1,0,0,0,0|1,0,1]=4 440 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,1,0,0,0,0|1,0,0]=3 441 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,1,0,0,0,0|2,0,0]=4 442 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,1,0,0,0,0|2,0,0]=4 443 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,1,0,0,0,0|2,0,0]=4 444 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [1,1,0,0,0,0|0,0,2]=4 445 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [1,1,0,0,0,0|0,0,2]=4 446 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [1,1,0,0,0,0|0,0,2]=4 447 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [1,1,0,0,0,0|0,0,2]=4 448 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [1,1,0,0,0,0|1,0,0]=3 449 B6R0.6 NOCCNCO 0cc9440611ac9dd9d9295e962a3dd39a [1,1,0,0,0,0|1,0,1]=4 450 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,1,0,0,0,0|1,0,0]=3 451 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,1,0,0,0,0|1,0,0]=3 452 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,1,0,0,0,0|1,0,0]=3 453 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,1,0,0,0,0|1,0,0]=3 454 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,1,0,0,0,0|1,0,0]=3 455 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,1,0,0,0,0|1,0,0]=3 456 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,1,0,0,0,0|1,0,0]=3 457 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,1,0,0,0,0|1,0,0]=3 458 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,1,0,0,0,0|1,0,0]=3 459 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,1,0,0,0,0|1,0,0]=3 460 B6R0.6 OCCCNCF d0f340a016e65bbf382f89af7024bb1f [1,1,0,0,0,0|1,0,1]=4 461 B6R0.6 OCCCNCO 61393d5d06c9202c0b94fa047d6ff099 [1,1,0,0,0,0|1,0,1]=4 462 B6R0.6 OCCNCCBr 0fc2af5bc6b566cb15b8698ad81d8a28 [1,1,0,0,0,0|1,0,1]=4 463 B6R0.6 OCCNCCF d8f328cc7923b202178773c12bcca59d [1,1,0,0,0,0|1,0,1]=4 464 B6R0.6 OCCNCCI 5ea510c923b7656c706e335f0707f13f [1,1,0,0,0,0|1,0,1]=4 465 B6R0.6 OCCNCCO 5ec55d5ff951afeb186b052871d5aed1 [1,1,0,0,0,0|1,0,1]=4 466 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [1,1,0,0,0,0|1,0,1]=4 467 B6R0.6 OCNCCCCl b5a3a94f1af195c7e59393df3fce5e89 [1,1,0,0,0,0|1,0,1]=4 468 B8R0.2 CC(C(=O)O)N(C)CF a3094bf427f297ebd8902941068ac9f2 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.2 CC(C(=O)O)N(C)CO b0a7b81e88a446de30ff43a7aa3ff0e5 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.2 CCN(C)C(C)C(=O)O 6f2a7033474106426aec9bd9ed3b37aa [0,2,0,0,0,0|2,0,0]=4 471 B8R0.2 CCN(C)[C@@H](C)C(=O)O ccda40b7947e3ec868172b2d11a39e32 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.2 CCN(C)[C@H](C)C(=O)O a423cd91a719c568f85e9128b6162ae1 [0,2,0,0,0,0|2,0,0]=4 473 B8R0.2 C[C@@H](C(=O)O)N(C)CF 0d6ed7ad4ea7484d5b39a392e405ff32 [0,2,0,0,0,0|2,0,0]=4 474 B8R0.2 C[C@@H](C(=O)O)N(C)CO c3f75a694235527c6388e6d7e2f17c01 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.2 C[C@H](C(=O)O)N(C)CF 61c68bea78cdcd7c2b85cec5a91e35a8 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.2 C[C@H](C(=O)O)N(C)CO 5d794c52438840dfb85878a5327b44ff [0,2,0,0,0,0|2,0,0]=4 477 B8R0.5 C#CCN(C)CC(=O)O 9abb39fbf4cdcac02269d67e50e724b5 [0,2,0,0,0,0|1,0,1]=4 478 B8R0.5 C=CCN(C)CC(=O)O 7ee8ca05079b6f72d0f00781a2b17cdf [0,2,0,0,0,0|1,0,1]=4 479 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,2,0,0,0,0|2,0,0]=4 481 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.5 CC(CC(=O)N)OCF 3e264f2c27636c1a0f540c1f468797f4 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.5 CC(CC(=O)O)NC#N 2707038014831afc2ce40ae6d3c44c2b [0,2,0,0,0,0|0,0,2]=4 484 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,2,0,0,0,0|1,0,0]=3 485 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,2,0,0,0,0|1,0,0]=3 486 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,2,0,0,0,0|1,0,0]=3 487 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,2,0,0,0,0|2,0,0]=4 488 B8R0.5 CCCN(C)CC(=O)N eac556bb053ce72a83d81df49c8f321b [0,2,0,0,0,0|2,0,0]=4 489 B8R0.5 CCCN(C)CC(=O)O afce971a9549e09777d29f9620e7b765 [0,2,0,0,0,0|1,0,0]=3 490 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,2,0,0,0,0|2,0,0]=4 491 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,2,0,0,0,0|1,0,0]=3 493 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,2,0,0,0,0|1,0,0]=3 494 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,2,0,0,0,0|1,0,0]=3 496 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,2,0,0,0,0|1,0,0]=3 497 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,2,0,0,0,0|1,0,0]=3 498 B8R0.5 CN(CC#N)CC(=O)O bc896e10abdeff2aa8e14b2e3c6e86cb [0,2,0,0,0,0|0,0,2]=4 499 B8R0.5 CN(CC=O)CC(=O)O 4f16c2423e66def517d0d42510089596 [0,2,0,0,0,0|1,0,1]=4 500 B8R0.5 CN(CCF)CC(=O)N d26c9ff0c6aeb9650633740b8e8fbdd2 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.5 CN(CCF)CC(=O)O 378a586b4ce9b0291e7e9d64e15c1748 [0,2,0,0,0,0|1,0,0]=3 502 B8R0.5 CN(CCO)CC(=O)N 0888a0a37efb8cd042350a61e8c75fb4 [0,2,0,0,0,0|2,0,0]=4 503 B8R0.5 CN(CCO)CC(=O)O e22eedcab85615a7cb9a01481995f5a1 [0,2,0,0,0,0|1,0,0]=3 504 B8R0.5 CN(CCS)CC(=O)N ac27f0a2a25a3457ae9c334515a984f5 [0,2,0,0,0,0|2,0,0]=4 505 B8R0.5 CN(CCS)CC(=O)O 20a126cdeaa5b2f572a540b4b00dcdb8 [0,2,0,0,0,0|1,0,0]=3 506 B8R0.5 COCN(C)CC(=O)O 38182438be3a4fb938d35352c6bcaa17 [0,2,0,0,0,0|2,0,0]=4 507 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,2,0,0,0,0|1,0,0]=3 509 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,2,0,0,0,0|1,0,0]=3 510 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,2,0,0,0,0|1,0,0]=3 511 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,2,0,0,0,0|1,0,0]=3 512 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,2,0,0,0,0|1,0,0]=3 513 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,2,0,0,0,0|1,0,0]=3 514 B8R0.16 CCN(CC)CC(=O)O 6fed7892c18c8ce9f89dfe191b146fca [0,2,0,0,0,0|2,0,0]=4 515 B8R0.16 CCN(CF)CC(=O)O 1572f10e4b030a4a402c19f513bf28bb [0,2,0,0,0,0|2,0,0]=4 516 B8R0.16 CCN(CO)CC(=O)O af04d4435f9e87502f4960e4fa163dc7 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.19 CC(CO)NC(=O)CO 36e7f0a9d41f765505ec00dee787948b [0,2,0,0,0,0|2,0,0]=4 518 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,2,0,0,0,0|2,0,0]=4 521 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.19 COC(=O)CN(C)CF 315bad3552c61e9bc012d524d408a643 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.19 COC(=O)CN(C)CO ead5047548ab9512878dca6e9fed3e38 [0,2,0,0,0,0|2,0,0]=4 525 B8R0.19 C[C@@H](CO)NC(=O)CO 4ef5922646eca2409cc0528bbe495536 [0,2,0,0,0,0|2,0,0]=4 526 B8R0.19 C[C@H](CO)NC(=O)CO 02a86c975d92184b3a8afd5bdd788d80 [0,2,0,0,0,0|2,0,0]=4 527 B8R0.23 CC(C)N(C)CC(=O)O 402f1d7c3b958af1fceb64bdcde4405c [0,2,0,0,0,0|2,0,0]=4 528 B8R0.23 CC(C)NC(C)C(=O)O 14fb43a096987787a4c4cfde0de411d4 [0,2,0,0,0,0|2,0,0]=4 529 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,2,0,0,0,0|2,0,0]=4 530 B8R0.23 CC(C)N[C@@H](C)C(=O)O 97090174d192ee499ea4beaa2fe31161 [0,2,0,0,0,0|2,0,0]=4 531 B8R0.23 CC(C)N[C@H](C)C(=O)O 1a6c2905adf438d6c173d7efe8c0cadc [0,2,0,0,0,0|2,0,0]=4 532 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,2,0,0,0,0|2,0,0]=4 533 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,2,0,0,0,0|2,0,0]=4 535 B8R0.1 CCCCC(=O)NC#N 2fe7c425eb1622681eebf36d3ea640ff [0,2,0,0,0,0|2,0,0]=4 536 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,2,0,0,0,0|2,0,0]=4 538 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,2,0,0,0,0|2,0,0]=4 540 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,2,0,0,0,0|2,0,0]=4 542 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,2,0,0,0,0|2,0,0]=4 543 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,2,0,0,0,0|2,0,0]=4 545 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,2,0,0,0,0|2,0,0]=4 546 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,2,0,0,0,0|2,0,0]=4 547 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,2,0,0,0,0|2,0,0]=4 548 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,2,0,0,0,0|2,0,0]=4 549 B8R0.1 N#CNC(=O)CCCF 62bfd5667a86cf008f3e5a7a3dced5f3 [0,2,0,0,0,0|2,0,0]=4 550 B8R0.1 N#CNC(=O)CCCS 97d957bc025416f4428f830074eec472 [0,2,0,0,0,0|2,0,0]=4 551 B8R0.1 N#CNC(=O)NCCN d97d79ed81de42f4cbf692a7ef6f3606 [0,2,0,0,0,0|2,0,0]=4 552 B8R0.1 NOCC(=O)NCCBr c0babb816ff6ad071d50637a90f5b53a [0,2,0,0,0,0|2,0,0]=4 553 B8R0.1 NOCC(=O)NCCF 9e810ff41c2108c50e8d8b1b8bd5f2d7 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.1 NOCC(=O)NCCI 1fcbed4147de39f8976794c95925d11c [0,2,0,0,0,0|2,0,0]=4 555 B8R0.1 NOCC(=O)NCCO fd618ddcd2c6c81b594a362cc110fd22 [0,2,0,0,0,0|2,0,0]=4 556 B8R0.1 NOCC(=O)NCCS 18d27bf78c6e7759f1c46eb3797eeb7e [0,2,0,0,0,0|2,0,0]=4 557 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,2,0,0,0,0|2,0,0]=4 558 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,2,0,0,0,0|2,0,0]=4 560 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,2,0,0,0,0|2,0,0]=4 562 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,2,0,0,0,0|2,0,0]=4 565 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,2,0,0,0,0|2,0,0]=4 566 B8R0.3 CN(CCF)C(=O)CO ddf97572daeb555520ada3a08ed124af [0,2,0,0,0,0|2,0,0]=4 567 B8R0.3 CN(CCO)C(=O)CO 8de638bdca0f8ac1cf08b4f0e65806cd [0,2,0,0,0,0|2,0,0]=4 568 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,2,0,0,0,0|2,0,0]=4 569 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,2,0,0,0,0|2,0,0]=4 570 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,2,0,0,0,0|2,0,0]=4 571 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,2,0,0,0,0|2,0,0]=4 572 B8R0.6 C#CC(=O)NCCCCl 1e6f7ab06ab7dcf88ea4205ff8340824 [0,2,0,0,0,0|2,0,0]=4 573 B8R0.6 C#CC(=O)NCCCO 12d57d1037b70231cb0862460a64755d [0,2,0,0,0,0|2,0,0]=4 574 B8R0.6 C#CC(=O)NCCON 4d62f4683e75975980b5ced503df8ce6 [0,2,0,0,0,0|2,0,0]=4 575 B8R0.6 C#CCCNC(=O)CO 245d05e33dd6d7c5b17cadbb8fcf8809 [0,2,0,0,0,0|1,0,1]=4 576 B8R0.6 C#CCNCC(=O)CO a3c792cf03c227602ef2fbb618cf5767 [0,2,0,0,0,0|1,0,1]=4 577 B8R0.6 C#CCNCC(=O)NO 88e8842cbeb38bffc7d949ea90d139a2 [0,2,0,0,0,0|1,0,1]=4 578 B8R0.6 C#CCNCC(=O)OC 45a330447218442f782052439de91cbb [0,2,0,0,0,0|1,0,1]=4 579 B8R0.6 C#CCOCC(=O)OC 1936252f7aa08c2478ab6a51c2564247 [0,2,0,0,0,0|1,0,1]=4 580 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,2,0,0,0,0|2,0,0]=4 581 B8R0.6 C=C(C=O)OCCCF 0eb811d6f95a63d3bfd1c30c0420353a [0,2,0,0,0,0|2,0,0]=4 582 B8R0.6 C=C(C=O)OCCCS f4c5b5b4eb066d1dde7e640ae8b83d6c [0,2,0,0,0,0|2,0,0]=4 583 B8R0.6 C=C(CNCCBr)OC efbac263e7650d3962d08edf3ce114db [0,2,0,0,0,0|2,0,0]=4 584 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,2,0,0,0,0|2,0,0]=4 585 B8R0.6 C=C(CNCCF)OC 0e8256fb644c0f85910115699008ab8e [0,2,0,0,0,0|2,0,0]=4 586 B8R0.6 C=C(CNCCI)OC fcef31f506379ae7bbc30bf7d4c63099 [0,2,0,0,0,0|2,0,0]=4 587 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,2,0,0,0,0|2,0,0]=4 588 B8R0.6 C=C(CNCCS)OC ce06596f455c7bf3f5895fe9ae52a28f [0,2,0,0,0,0|2,0,0]=4 589 B8R0.6 C=C(CO)CNCCBr 1538cd8f5a19aefe9ac0222cecb7abd4 [0,2,0,0,0,0|2,0,0]=4 590 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,2,0,0,0,0|2,0,0]=4 591 B8R0.6 C=C(CO)CNCCF 3eb09a81d0db8d32f14af9b7972e103d [0,2,0,0,0,0|2,0,0]=4 592 B8R0.6 C=C(CO)CNCCI 796bcf6c376951ccd776953135c6e059 [0,2,0,0,0,0|2,0,0]=4 593 B8R0.6 C=C(CO)CNCCO 894d7668b7763d0cb8a4050ef9b33650 [0,2,0,0,0,0|2,0,0]=4 594 B8R0.6 C=C(CO)CNCCS dfc962103906ef519e3299dc9c138cef [0,2,0,0,0,0|2,0,0]=4 595 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,2,0,0,0,0|2,0,0]=4 596 B8R0.6 C=C(COCCF)OC 781881c77dd820871f857506616f3c75 [0,2,0,0,0,0|2,0,0]=4 597 B8R0.6 C=C(COCCS)OC 4d7d697d0d7ec1ce88163ba6265f360d [0,2,0,0,0,0|2,0,0]=4 598 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,2,0,0,0,0|2,0,0]=4 599 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,2,0,0,0,0|2,0,0]=4 600 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,2,0,0,0,0|2,0,0]=4 601 B8R0.6 C=CC(=O)NCCON b1d9c0700408229ba8c491ea013d8097 [0,2,0,0,0,0|2,0,0]=4 602 B8R0.6 C=CCCNC(=O)CO 98f6aad136129263a9e12af8510e3e51 [0,2,0,0,0,0|1,0,1]=4 603 B8R0.6 C=CCNCC(=O)NO 119d64e5ab4b2a8f8a1bbdfd4a7063e5 [0,2,0,0,0,0|1,0,1]=4 604 B8R0.6 C=CCNCC(=O)OC 149a449e2131ace3a8ad23121b53b8be [0,2,0,0,0,0|1,0,1]=4 605 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,2,0,0,0,0|1,0,1]=4 606 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,2,0,0,0,0|2,0,0]=4 607 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,2,0,0,0,0|2,0,0]=4 609 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,2,0,0,0,0|2,0,0]=4 610 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,2,0,0,0,0|2,0,0]=4 611 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,2,0,0,0,0|2,0,0]=4 612 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,2,0,0,0,0|2,0,0]=4 613 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,2,0,0,0,0|2,0,0]=4 614 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,2,0,0,0,0|2,0,0]=4 615 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,2,0,0,0,0|2,0,0]=4 616 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,2,0,0,0,0|1,0,1]=4 617 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,2,0,0,0,0|2,0,0]=4 618 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,2,0,0,0,0|2,0,0]=4 619 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,2,0,0,0,0|1,0,0]=3 620 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,2,0,0,0,0|1,1,0]=4 621 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,2,0,0,0,0|2,0,0]=4 622 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,2,0,0,0,0|1,0,0]=3 623 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,2,0,0,0,0|2,0,0]=4 624 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,2,0,0,0,0|1,0,0]=3 625 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,2,0,0,0,0|1,0,0]=3 626 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,2,0,0,0,0|2,0,0]=4 627 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,2,0,0,0,0|2,0,0]=4 628 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,2,0,0,0,0|1,0,0]=3 629 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,2,0,0,0,0|2,0,0]=4 630 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,2,0,0,0,0|1,0,0]=3 631 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,2,0,0,0,0|1,0,0]=3 632 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,2,0,0,0,0|2,0,0]=4 633 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,2,0,0,0,0|1,0,0]=3 634 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,2,0,0,0,0|2,0,0]=4 635 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,2,0,0,0,0|2,0,0]=4 636 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,2,0,0,0,0|2,0,0]=4 637 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,2,0,0,0,0|2,0,0]=4 638 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,2,0,0,0,0|2,0,0]=4 639 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,2,0,0,0,0|2,0,0]=4 640 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,2,0,0,0,0|2,0,0]=4 641 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,2,0,0,0,0|2,0,0]=4 642 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,2,0,0,0,0|2,0,0]=4 643 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,2,0,0,0,0|2,0,0]=4 644 B8R0.6 COC(=O)CCNC#N 7a530d6d679d08354249cd6e728a86d9 [0,2,0,0,0,0|0,0,2]=4 645 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,2,0,0,0,0|1,0,1]=4 646 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,2,0,0,0,0|1,0,0]=3 647 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,2,0,0,0,0|1,0,0]=3 648 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,2,0,0,0,0|1,0,0]=3 649 B8R0.6 COC(=O)CNCC#N e54efd0e7cdfa4eb3c060e8dafdb53cb [0,2,0,0,0,0|0,0,2]=4 650 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,2,0,0,0,0|1,0,1]=4 651 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,2,0,0,0,0|1,0,0]=3 652 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,2,0,0,0,0|1,0,0]=3 653 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,2,0,0,0,0|1,0,0]=3 654 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,2,0,0,0,0|1,0,0]=3 655 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,2,0,0,0,0|1,0,0]=3 656 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,2,0,0,0,0|2,0,0]=4 657 B8R0.6 COC(=O)COCC#N d961317c976447afdfd8be4bef3f1d28 [0,2,0,0,0,0|0,0,2]=4 658 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,2,0,0,0,0|1,0,1]=4 659 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,2,0,0,0,0|1,0,0]=3 660 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,2,0,0,0,0|1,0,0]=3 661 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,2,0,0,0,0|2,0,0]=4 662 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,2,0,0,0,0|2,0,0]=4 663 B8R0.6 COCNCC(=O)NO 6370b599efa65c671e4aeafd65f9dc2d [0,2,0,0,0,0|2,0,0]=4 664 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,2,0,0,0,0|2,0,0]=4 665 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,2,0,0,0,0|2,0,0]=4 666 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,2,0,0,0,0|2,0,0]=4 667 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,2,0,0,0,0|2,0,0]=4 668 B8R0.6 N#CCCNC(=O)CO 87c406c5bc0dc45a014108f83918aa54 [0,2,0,0,0,0|0,0,2]=4 669 B8R0.6 N#CCNCC(=O)CO 5e8f28f2fb25f63df04e6bffce39c5fd [0,2,0,0,0,0|0,0,2]=4 670 B8R0.6 N#CCNCC(=O)NO 72cb15057f3de220b547eab3e774e0ce [0,2,0,0,0,0|0,0,2]=4 671 B8R0.6 NOCCNC(=O)C=O f5610ceeebf529895b18c2be26cd2513 [0,2,0,0,0,0|1,0,1]=4 672 B8R0.6 NOCCNC(=O)CF 46907fa58646111f9869cb76f3fa548d [0,2,0,0,0,0|2,0,0]=4 673 B8R0.6 NOCCNC(=O)CO d33eb512bcee6c5a14c6336e1dded456 [0,2,0,0,0,0|1,0,0]=3 674 B8R0.6 NOCCNC(=O)CS 0e95ecc1ba2742311363fa4125fb38fb [0,2,0,0,0,0|1,1,0]=4 675 B8R0.6 O=C(CCNCF)NO aaad06265f693e1393c4e11198291b97 [0,2,0,0,0,0|1,0,0]=3 676 B8R0.6 O=C(CCNCO)NO a2ec66bacb8f2a5bbd11eb6132728c80 [0,2,0,0,0,0|1,0,0]=3 677 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,2,0,0,0,0|2,0,0]=4 678 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,2,0,0,0,0|2,0,0]=4 679 B8R0.6 O=C(CNCCF)NO 4ede23953c58be1266bfab49008bd398 [0,2,0,0,0,0|1,0,0]=3 680 B8R0.6 O=C(CNCCO)NO 9399a3f3247500214a3724c003b791f0 [0,2,0,0,0,0|1,0,0]=3 681 B8R0.6 O=C(CNCCS)NO 6bd3c1ae8f710265188a27a831a6425d [0,2,0,0,0,0|1,0,0]=3 682 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,2,0,0,0,0|1,0,0]=3 683 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,2,0,0,0,0|1,0,0]=3 684 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,2,0,0,0,0|1,0,0]=3 685 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,2,0,0,0,0|1,0,0]=3 686 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,2,0,0,0,0|1,0,0]=3 687 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,2,0,0,0,0|1,0,0]=3 688 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,2,0,0,0,0|1,0,0]=3 689 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,2,0,0,0,0|1,1,0]=4 690 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,2,0,0,0,0|1,1,0]=4 691 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,2,0,0,0,0|1,0,1]=4 692 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,2,0,0,0,0|1,0,1]=4 693 B8R0.6 O=CCNCC(=O)NO e1b7011d11f3d9485584b87c7adb5be5 [0,2,0,0,0,0|1,0,1]=4 694 B8R0.6 O=CNCCC(=O)NO f4927e1f04fae0627a70804a3bc865c3 [0,2,0,0,0,0|1,0,1]=4 695 B8R0.8 C#CCNC(C)C(=O)O 4b99b7020e460036fc14906401430936 [0,2,0,0,0,0|1,0,1]=4 696 B8R0.8 C#CCNC(O)C(=O)O c2f87445089f25c4b184d132413f8006 [0,2,0,0,0,0|1,0,1]=4 697 B8R0.8 C#CCN[C@@H](C)C(=O)O 10bbfb92e2c549f58f291f130d16578f [0,2,0,0,0,0|1,0,1]=4 698 B8R0.8 C#CCN[C@H](C)C(=O)O c45ede9d1e43611c768a8090380c1868 [0,2,0,0,0,0|1,0,1]=4 699 B8R0.8 C#CCOC(C)C(=O)O 1adaa60fa476d6dc220f161b33abd609 [0,2,0,0,0,0|1,0,1]=4 700 B8R0.8 C#CCO[C@@H](C)C(=O)O 79781b9b2e6b822211278354159e2687 [0,2,0,0,0,0|1,0,1]=4 701 B8R0.8 C#CCO[C@H](C)C(=O)O 19885536196a71978196625cd8e9f2d3 [0,2,0,0,0,0|1,0,1]=4 702 B8R0.8 C=C(COCC)C(=O)O b3208edc35f04bc3c761d3282605ef24 [0,2,0,0,0,0|1,0,1]=4 703 B8R0.8 C=C(COCF)C(=O)O 482b63a8a7d21f3e3de9eb1368a89112 [0,2,0,0,0,0|1,0,1]=4 704 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [0,2,0,0,0,0|1,0,1]=4 705 B8R0.8 C=CCNC(O)C(=O)O 0ecf31d72e8de05d5ba28c50354b10f9 [0,2,0,0,0,0|1,0,1]=4 706 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [0,2,0,0,0,0|1,0,1]=4 707 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [0,2,0,0,0,0|1,0,1]=4 708 B8R0.8 C=CCOC(C)C(=O)O 950b3a8c28d6da5c53fb492d3fdc807b [0,2,0,0,0,0|1,0,1]=4 709 B8R0.8 C=CCO[C@@H](C)C(=O)O 25467a59582a2906ce4ce45146ee1287 [0,2,0,0,0,0|1,0,1]=4 710 B8R0.8 C=CCO[C@H](C)C(=O)O 0b91c4aaff97cd63715f015c1d0c9e20 [0,2,0,0,0,0|1,0,1]=4 711 B8R0.8 CC(=O)C(C)COCF c45f8ad47bb47acfc61ca43baa4a6417 [0,2,0,0,0,0|2,0,0]=4 712 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,2,0,0,0,0|2,0,0]=4 713 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,2,0,0,0,0|2,0,0]=4 714 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,2,0,0,0,0|2,0,0]=4 715 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,2,0,0,0,0|2,0,0]=4 716 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,2,0,0,0,0|2,0,0]=4 717 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,2,0,0,0,0|2,0,0]=4 718 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,2,0,0,0,0|2,0,0]=4 719 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,2,0,0,0,0|2,0,0]=4 720 B8R0.8 CC(=O)N(C)CCON 0222a89a982d3c098f88961a474eac69 [0,2,0,0,0,0|2,0,0]=4 721 B8R0.8 CC(CNC#N)C(=O)O bf116ef387bf30d93fcd9d2397a5d029 [0,2,0,0,0,0|0,0,2]=4 722 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,2,0,0,0,0|1,0,0]=3 723 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,2,0,0,0,0|1,0,0]=3 724 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,2,0,0,0,0|1,0,0]=3 725 B8R0.8 CC(NCC#N)C(=O)O 7e0caa8ab91252d82a8f6abf878f244d [0,2,0,0,0,0|0,0,2]=4 726 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [0,2,0,0,0,0|1,0,1]=4 727 B8R0.8 CC(NCCBr)C(=O)N e1b4730b5fd9d92a2dbd4fe63157cabb [0,2,0,0,0,0|2,0,0]=4 728 B8R0.8 CC(NCCF)C(=O)N 953b8e834ec847c492e06ef848bdb316 [0,2,0,0,0,0|2,0,0]=4 729 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,2,0,0,0,0|1,0,0]=3 730 B8R0.8 CC(NCCI)C(=O)N 7681945bc88c2670e6d790ebc46806ce [0,2,0,0,0,0|2,0,0]=4 731 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,2,0,0,0,0|1,0,0]=3 732 B8R0.8 CC(NCCO)C(=O)N 013333cfcf1fc8f500c98b282dda89b3 [0,2,0,0,0,0|2,0,0]=4 733 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,2,0,0,0,0|1,0,0]=3 734 B8R0.8 CC(NCCS)C(=O)N 572f0555a75dff8d0ea622872a8a561f [0,2,0,0,0,0|2,0,0]=4 735 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,2,0,0,0,0|1,0,0]=3 736 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,2,0,0,0,0|2,0,0]=4 737 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,2,0,0,0,0|2,0,0]=4 738 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,2,0,0,0,0|2,0,0]=4 739 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,2,0,0,0,0|2,0,0]=4 740 B8R0.8 CC(OCC#N)C(=O)O 9e60d39e5d4e06a279fadb11fff707cb [0,2,0,0,0,0|0,0,2]=4 741 B8R0.8 CC(OCC=O)C(=O)O f7d574d73325531577cc3be3ba579ff3 [0,2,0,0,0,0|1,0,1]=4 742 B8R0.8 CC(OCCF)C(=O)N 05325469e5b636b3a46e12613a8ebafe [0,2,0,0,0,0|2,0,0]=4 743 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,2,0,0,0,0|1,0,0]=3 744 B8R0.8 CC(OCCS)C(=O)N becba3e4bd5ddd0256495d0b8cb5436f [0,2,0,0,0,0|2,0,0]=4 745 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,2,0,0,0,0|1,0,0]=3 746 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,2,0,0,0,0|2,0,0]=4 747 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,2,0,0,0,0|2,0,0]=4 748 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,2,0,0,0,0|2,0,0]=4 749 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,2,0,0,0,0|2,0,0]=4 750 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,2,0,0,0,0|2,0,0]=4 751 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,2,0,0,0,0|2,0,0]=4 752 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,2,0,0,0,0|2,0,0]=4 753 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|1,0,0]=3 754 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,2,0,0,0,0|2,0,0]=4 755 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,2,0,0,0,0|1,0,0]=3 756 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,2,0,0,0,0|2,0,0]=4 757 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|1,0,0]=3 758 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|1,0,0]=3 760 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,2,0,0,0,0|2,0,0]=4 761 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,2,0,0,0,0|2,0,0]=4 762 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,2,0,0,0,0|1,0,0]=3 763 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,2,0,0,0,0|2,0,0]=4 765 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,2,0,0,0,0|1,0,0]=3 766 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,2,0,0,0,0|2,0,0]=4 767 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,2,0,0,0,0|1,0,0]=3 768 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,2,0,0,0,0|1,0,0]=3 769 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,2,0,0,0,0|1,0,0]=3 770 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,2,0,0,0,0|1,0,0]=3 771 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,2,0,0,0,0|1,0,0]=3 772 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,2,0,0,0,0|1,0,0]=3 773 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,2,0,0,0,0|1,0,0]=3 774 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,2,0,0,0,0|1,0,0]=3 775 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,2,0,0,0,0|2,0,0]=4 776 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,2,0,0,0,0|1,0,0]=3 777 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,2,0,0,0,0|1,0,0]=3 778 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,2,0,0,0,0|1,0,0]=3 779 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,2,0,0,0,0|2,0,0]=4 780 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,2,0,0,0,0|2,0,0]=4 782 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,2,0,0,0,0|2,0,0]=4 783 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,2,0,0,0,0|2,0,0]=4 784 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,2,0,0,0,0|2,0,0]=4 785 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,2,0,0,0,0|2,0,0]=4 786 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,2,0,0,0,0|2,0,0]=4 787 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,2,0,0,0,0|2,0,0]=4 788 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,2,0,0,0,0|2,0,0]=4 789 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,2,0,0,0,0|2,0,0]=4 790 B8R0.8 C[C@@H](CNCF)C(=O)O 4d9173719fc4f49e4611760c33799bb2 [0,2,0,0,0,0|1,0,0]=3 791 B8R0.8 C[C@@H](CNCO)C(=O)O 129419d76dc5f85eaf247a7f67fc6cef [0,2,0,0,0,0|1,0,0]=3 792 B8R0.8 C[C@@H](COCF)C(=O)O aa505f32f4e5eedb1609c9fa6ceb286b [0,2,0,0,0,0|1,0,0]=3 793 B8R0.8 C[C@@H](NCC#N)C(=O)O 972d08b332f352aa44c3e39d4ac17eb7 [0,2,0,0,0,0|0,0,2]=4 794 B8R0.8 C[C@@H](NCC=O)C(=O)O a9f70b757fe4612e75dea21e3835d008 [0,2,0,0,0,0|1,0,1]=4 795 B8R0.8 C[C@@H](NCCBr)C(=O)N 5f0fef2d25c875361a1c1fb6719cbf97 [0,2,0,0,0,0|2,0,0]=4 796 B8R0.8 C[C@@H](NCCF)C(=O)N 2c520067e170d47a3eab9e4fbe585908 [0,2,0,0,0,0|2,0,0]=4 797 B8R0.8 C[C@@H](NCCF)C(=O)O c985c930a75dd7ef32b597383fbe6b60 [0,2,0,0,0,0|1,0,0]=3 798 B8R0.8 C[C@@H](NCCI)C(=O)N 76a020fa2d2de1a12301f9ed6a01f3a0 [0,2,0,0,0,0|2,0,0]=4 799 B8R0.8 C[C@@H](NCCI)C(=O)O 8a10c2dc2b0ccfee702f35e3cbddbf0d [0,2,0,0,0,0|1,0,0]=3 800 B8R0.8 C[C@@H](NCCO)C(=O)N 11b4a7b8afa7b38c3221de9b75563071 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.8 C[C@@H](NCCO)C(=O)O 773cefab23e4277c3fec27f25db9fd3e [0,2,0,0,0,0|1,0,0]=3 802 B8R0.8 C[C@@H](NCCS)C(=O)N eaed8a8bc3443962f8e57846d7a55f89 [0,2,0,0,0,0|2,0,0]=4 803 B8R0.8 C[C@@H](NCCS)C(=O)O 19d484937376b7d19ec4ad31c032ffd8 [0,2,0,0,0,0|1,0,0]=3 804 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,2,0,0,0,0|2,0,0]=4 805 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,2,0,0,0,0|2,0,0]=4 806 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,2,0,0,0,0|2,0,0]=4 807 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,2,0,0,0,0|2,0,0]=4 808 B8R0.8 C[C@@H](OCC#N)C(=O)O c705a7a20d6bb82ff2eff911b8d9b552 [0,2,0,0,0,0|0,0,2]=4 809 B8R0.8 C[C@@H](OCC=O)C(=O)O ec661864679508fe308079c34ba0d948 [0,2,0,0,0,0|1,0,1]=4 810 B8R0.8 C[C@@H](OCCF)C(=O)N d40441105176013d30c8b95424c00d97 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.8 C[C@@H](OCCF)C(=O)O c9253212131f04406411165ed9fada60 [0,2,0,0,0,0|1,0,0]=3 812 B8R0.8 C[C@@H](OCCS)C(=O)N 88943ada137c1f0b099f509dc8869f73 [0,2,0,0,0,0|2,0,0]=4 813 B8R0.8 C[C@@H](OCCS)C(=O)O ac3bfc55d41f7a030484bfd593511e60 [0,2,0,0,0,0|1,0,0]=3 814 B8R0.8 C[C@H](CNCF)C(=O)O 9d81b94206f75ee21b4db163708e8702 [0,2,0,0,0,0|1,0,0]=3 815 B8R0.8 C[C@H](CNCO)C(=O)O 722d39fe0a80aec373909ca981cc2ac2 [0,2,0,0,0,0|1,0,0]=3 816 B8R0.8 C[C@H](COCF)C(=O)O 45766ea01c28bb0aca00c5be08dc9be3 [0,2,0,0,0,0|1,0,0]=3 817 B8R0.8 C[C@H](NCC#N)C(=O)O e4147ba99646ec3a91b79b66bb7623a1 [0,2,0,0,0,0|0,0,2]=4 818 B8R0.8 C[C@H](NCC=O)C(=O)O 8f3e3a2e655b122b5dbf67e5312baae9 [0,2,0,0,0,0|1,0,1]=4 819 B8R0.8 C[C@H](NCCBr)C(=O)N c654f0586f8c23ee904ea4efbdaa6282 [0,2,0,0,0,0|2,0,0]=4 820 B8R0.8 C[C@H](NCCF)C(=O)N e75d3c5e3e987293ab038f42699088fd [0,2,0,0,0,0|2,0,0]=4 821 B8R0.8 C[C@H](NCCF)C(=O)O fd1f98b23619529732be37e8295a849a [0,2,0,0,0,0|1,0,0]=3 822 B8R0.8 C[C@H](NCCI)C(=O)N 67fe932a80a9eec1720ad4855692ad60 [0,2,0,0,0,0|2,0,0]=4 823 B8R0.8 C[C@H](NCCI)C(=O)O 14879b70406900d3b9c0aef15c8804ba [0,2,0,0,0,0|1,0,0]=3 824 B8R0.8 C[C@H](NCCO)C(=O)N ead3141575cb05538a172d8fe0fd315f [0,2,0,0,0,0|2,0,0]=4 825 B8R0.8 C[C@H](NCCO)C(=O)O 76808623850f5a1065c978caf5c977ca [0,2,0,0,0,0|1,0,0]=3 826 B8R0.8 C[C@H](NCCS)C(=O)N 66f3a08d77bb976c0eb5f803b01afeb5 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.8 C[C@H](NCCS)C(=O)O f9c7d821f3499388f2c0c427911263cd [0,2,0,0,0,0|1,0,0]=3 828 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,2,0,0,0,0|2,0,0]=4 829 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,2,0,0,0,0|2,0,0]=4 830 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,2,0,0,0,0|2,0,0]=4 831 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,2,0,0,0,0|2,0,0]=4 832 B8R0.8 C[C@H](OCC#N)C(=O)O ba12b08c57ed09456d47d6e99832077b [0,2,0,0,0,0|0,0,2]=4 833 B8R0.8 C[C@H](OCC=O)C(=O)O 4ebe59700e459820040abe9c03f70752 [0,2,0,0,0,0|1,0,1]=4 834 B8R0.8 C[C@H](OCCF)C(=O)N 4e9bb5644f38dd86d9dd9823a1b49742 [0,2,0,0,0,0|2,0,0]=4 835 B8R0.8 C[C@H](OCCF)C(=O)O 743b16156cee7adc3f15423098970a5c [0,2,0,0,0,0|1,0,0]=3 836 B8R0.8 C[C@H](OCCS)C(=O)N b69b46e96c27664eee2ef8d1ebb4d82d [0,2,0,0,0,0|2,0,0]=4 837 B8R0.8 C[C@H](OCCS)C(=O)O b485ed5c5773edd40292f7e36c453e29 [0,2,0,0,0,0|1,0,0]=3 838 B8R0.8 N#CCNC(O)C(=O)O eec7ef83cf88af6ac7f289ccc2020fe0 [0,2,0,0,0,0|0,0,2]=4 839 B8R0.8 N#CNCC(O)C(=O)O 0943bc10363ee8c75700054dcf2c9843 [0,2,0,0,0,0|0,0,2]=4 840 B8R0.8 N#CNC[C@H](O)C(=O)O c374ceb0d5a55141801d235bcfbf9087 [0,2,0,0,0,0|0,0,2]=4 841 B8R0.8 NC(=O)C(F)NCCBr 7b2f59324313e93e737f5e8d44c95a2c [0,2,0,0,0,0|2,0,0]=4 842 B8R0.8 NC(=O)C(F)NCCI 4fa570523e6226333623796420bfec05 [0,2,0,0,0,0|2,0,0]=4 843 B8R0.8 NC(=O)C(F)NCCO 8ea465c04b3d341359f3e0754df88307 [0,2,0,0,0,0|2,0,0]=4 844 B8R0.8 NC(=O)C(F)OCCS 5172c9b0bf8c5357fae11cb57618deab [0,2,0,0,0,0|2,0,0]=4 845 B8R0.8 O=C(NCCBr)C(O)O 73e8ae7fdf2a88b7b30084be9bc85132 [0,2,0,0,0,0|2,0,0]=4 846 B8R0.8 O=C(NCCF)C(O)O 89e071c32fd10ed34517a44e130ca45c [0,2,0,0,0,0|2,0,0]=4 847 B8R0.8 O=C(NCCI)C(O)O fc84fbc71836adb80db7b674e8b28a10 [0,2,0,0,0,0|2,0,0]=4 848 B8R0.8 O=C(NCCO)C(O)O 98affbb0c0ffe6bee8332b346954c773 [0,2,0,0,0,0|2,0,0]=4 849 B8R0.8 O=C(NCCS)C(O)O 4438ec682b3eb2e23847b4b4cbb5ce72 [0,2,0,0,0,0|2,0,0]=4 850 B8R0.8 O=C(O)C(F)CNCF f1a9030b4e84b2808ed1cc96323a1748 [0,2,0,0,0,0|1,0,0]=3 851 B8R0.8 O=C(O)C(F)CNCO c5cb63252e280c78105d540035d06dac [0,2,0,0,0,0|1,0,0]=3 852 B8R0.8 O=C(O)C(O)CNCF b50e1442b5c6266934863854576a8d3d [0,2,0,0,0,0|1,0,0]=3 853 B8R0.8 O=C(O)C(O)CNCO 898dc7e3ebc74408e9fbb99b51d98f75 [0,2,0,0,0,0|1,0,0]=3 854 B8R0.8 O=C(O)C(O)NCCF f448ef4ffbf11843dbee1bb8436d2a0c [0,2,0,0,0,0|1,0,0]=3 855 B8R0.8 O=C(O)C(O)NCCO 698911e1d3457f5b9e37a340d950957a [0,2,0,0,0,0|1,0,0]=3 856 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,2,0,0,0,0|1,0,0]=3 857 B8R0.8 O=C(O)[C@@H](O)CNCF dfc3ee5c735555d7aca49144f695826d [0,2,0,0,0,0|1,0,0]=3 858 B8R0.8 O=C(O)[C@@H](O)CNCO cdd1082cc3946b226b2ffbc1066fef89 [0,2,0,0,0,0|1,0,0]=3 859 B8R0.8 O=C(O)[C@H](O)CNCF 5dbad60ab052faf0f2f5f615bfe59344 [0,2,0,0,0,0|1,0,0]=3 860 B8R0.8 O=C(O)[C@H](O)CNCO 71211b0d7c7b20837b97e49988848369 [0,2,0,0,0,0|1,0,0]=3 861 B8R0.8 O=CCNC(O)C(=O)O 8520717b1a1e11d4c35b09a14aaf7e93 [0,2,0,0,0,0|1,0,1]=4 862 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.9 C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,2,0,0,0,0|1,0,1]=4 864 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,2,0,0,0,0|1,0,1]=4 865 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,2,0,0,0,0|1,0,1]=4 866 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,2,0,0,0,0|1,0,1]=4 867 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,2,0,0,0,0|1,0,1]=4 868 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,2,0,0,0,0|1,0,1]=4 869 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,2,0,0,0,0|1,0,1]=4 870 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,2,0,0,0,0|1,0,1]=4 871 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,2,0,0,0,0|2,0,0]=4 872 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,2,0,0,0,0|2,0,0]=4 873 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,2,0,0,0,0|2,0,0]=4 874 B8R0.9 CC(=O)NCC(Br)CBr 026233203db163de359d5c31f32507c5 [0,2,0,0,0,0|2,0,0]=4 875 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,2,0,0,0,0|2,0,0]=4 876 B8R0.9 CC(=O)NCC(F)CO b8843bcee854bfdd401231e90b011422 [0,2,0,0,0,0|2,0,0]=4 877 B8R0.9 CC(=O)NCC(O)CO a7a306466b1599337a98d4a78b5d781e [0,2,0,0,0,0|2,0,0]=4 878 B8R0.9 CC(=O)NC[C@@H](F)CO 964c0a882da1253a8b823c85e90b43d9 [0,2,0,0,0,0|2,0,0]=4 879 B8R0.9 CC(=O)NC[C@@H](O)CO a8483dbc09c1c7f138b3ed243987530b [0,2,0,0,0,0|2,0,0]=4 880 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,2,0,0,0,0|2,0,0]=4 881 B8R0.9 CC(=O)NC[C@H](F)CO 938a8d1e230afccbf699e7334f08d345 [0,2,0,0,0,0|2,0,0]=4 882 B8R0.9 CC(=O)NC[C@H](O)CO 4c725599a6cf504375db5135be307edf [0,2,0,0,0,0|2,0,0]=4 883 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,2,0,0,0,0|0,0,2]=4 884 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,2,0,0,0,0|2,0,0]=4 885 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,2,0,0,0,0|2,0,0]=4 886 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,2,0,0,0,0|1,0,1]=4 887 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,2,0,0,0,0|1,0,1]=4 888 B8R0.9 CC(CF)OCC(=O)N 85ec4187286fdad5a9553ca5e7cee35f [0,2,0,0,0,0|2,0,0]=4 889 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,2,0,0,0,0|1,0,0]=3 890 B8R0.9 CC(CO)NCC(=O)N ca275a4ad15d32e500ba974468999137 [0,2,0,0,0,0|2,0,0]=4 891 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,2,0,0,0,0|1,0,0]=3 892 B8R0.9 CC(CS)OCC(=O)N b11e299a771877421c46b123080a3ea9 [0,2,0,0,0,0|2,0,0]=4 893 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,2,0,0,0,0|1,0,0]=3 894 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,2,0,0,0,0|2,0,0]=4 895 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,2,0,0,0,0|2,0,0]=4 896 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,2,0,0,0,0|2,0,0]=4 897 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,2,0,0,0,0|2,0,0]=4 898 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,2,0,0,0,0|1,0,0]=3 899 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,2,0,0,0,0|2,0,0]=4 900 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,2,0,0,0,0|2,0,0]=4 901 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,2,0,0,0,0|1,0,0]=3 902 B8R0.9 CCC(C)OCS(=O)O 218f2e14527146233901e95c42e5bea0 [0,2,0,0,0,0|2,0,0]=4 903 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,2,0,0,0,0|2,0,0]=4 904 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,2,0,0,0,0|2,0,0]=4 905 B8R0.9 CCN(C)CCC(=O)N 8598f908b554962aaf272d88582a793e [0,2,0,0,0,0|2,0,0]=4 906 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,2,0,0,0,0|1,0,0]=3 907 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,2,0,0,0,0|2,0,0]=4 908 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,2,0,0,0,0|1,0,0]=3 909 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,2,0,0,0,0|2,0,0]=4 910 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,2,0,0,0,0|1,0,0]=3 911 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,2,0,0,0,0|2,0,0]=4 912 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,2,0,0,0,0|2,0,0]=4 913 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,2,0,0,0,0|2,0,0]=4 914 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,2,0,0,0,0|1,0,0]=3 915 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,2,0,0,0,0|2,0,0]=4 916 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,2,0,0,0,0|1,0,0]=3 917 B8R0.9 CN(CF)CCC(=O)N 6d094d2271b3869e64c635a327791e7d [0,2,0,0,0,0|2,0,0]=4 918 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,2,0,0,0,0|1,0,0]=3 919 B8R0.9 CN(CO)CCC(=O)N e23409c848954f75cfbaa958caecdeb6 [0,2,0,0,0,0|2,0,0]=4 920 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,2,0,0,0,0|1,0,0]=3 921 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,2,0,0,0,0|2,0,0]=4 922 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,2,0,0,0,0|2,0,0]=4 923 B8R0.9 C[C@@H](CO)NCC(=O)N 1720c78da7cf8f54c6473f0f0ad3915f [0,2,0,0,0,0|2,0,0]=4 924 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,2,0,0,0,0|1,0,0]=3 925 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,2,0,0,0,0|2,0,0]=4 926 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,2,0,0,0,0|1,0,1]=4 927 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,2,0,0,0,0|1,0,1]=4 928 B8R0.9 C[C@H](CO)NCC(=O)N 280db7eb09d450dda3894db03e34aff2 [0,2,0,0,0,0|2,0,0]=4 929 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,2,0,0,0,0|1,0,0]=3 930 B8R0.9 C[C@H](CS)OCC(=O)N 99b35c1160d6521244a3a6571fb38a94 [0,2,0,0,0,0|2,0,0]=4 931 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,2,0,0,0,0|1,0,0]=3 932 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,2,0,0,0,0|2,0,0]=4 933 B8R0.9 NC(=O)CNC(=O)CO 653fe2a259064b2314936bfe631decbe [0,2,0,0,0,0|1,0,1]=4 934 B8R0.9 O=C(CO)NCC(F)F 7faddb9a1bd570be447e69247bbc7e41 [0,2,0,0,0,0|2,0,0]=4 935 B8R0.7 C#CCCCNC(=O)C 8bbad3dcf674b05cb5f90221808a2bb7 [0,2,0,0,0,0|2,0,0]=4 936 B8R0.7 C#CCCNCC(=O)C c4cc756a51afb7be13a15a9a08fcff4c [0,2,0,0,0,0|2,0,0]=4 937 B8R0.7 C#CCCNCC(=O)N 1f3003baf97abd2324b063149dfdad50 [0,2,0,0,0,0|2,0,0]=4 938 B8R0.7 C#CCCNCC(=O)O a62cfb736e7f82a3494237514cacf08e [0,2,0,0,0,0|1,0,0]=3 939 B8R0.7 C#CCCOCC(=O)C d40f062f5d5b5dd437467b58ad4478ba [0,2,0,0,0,0|2,0,0]=4 940 B8R0.7 C#CCCOCC(=O)N 16832b99fecfae9a9433e7f121c1b73e [0,2,0,0,0,0|2,0,0]=4 941 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [0,2,0,0,0,0|1,0,0]=3 942 B8R0.7 C#CCCOCS(=O)O 52a9dad7e56965cb03c5b726910557ba [0,2,0,0,0,0|2,0,0]=4 943 B8R0.7 C#CCNCCC(=O)C c404d0087dc2dc93430e30073cbb1872 [0,2,0,0,0,0|2,0,0]=4 944 B8R0.7 C#CCNCCC(=O)N 93be733b56fc479909304b7711180789 [0,2,0,0,0,0|2,0,0]=4 945 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [0,2,0,0,0,0|1,0,0]=3 946 B8R0.7 C#CCNCCS(=O)O 7ff05c6a9740070d86609c48acf0edce [0,2,0,0,0,0|2,0,0]=4 947 B8R0.7 C#CCOCCC(=O)C 5d051bea38d55a1d1b77591e946629a4 [0,2,0,0,0,0|2,0,0]=4 948 B8R0.7 C#CCOCCC(=O)N 238988e372393a30996f8238ceea5a3a [0,2,0,0,0,0|2,0,0]=4 949 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [0,2,0,0,0,0|1,0,0]=3 950 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [0,2,0,0,0,0|1,0,1]=4 951 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [0,2,0,0,0,0|1,0,1]=4 952 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [0,2,0,0,0,0|1,0,1]=4 953 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [0,2,0,0,0,0|1,0,1]=4 954 B8R0.7 C=C(Br)CNCCON 2b070794c064b0cfe59fdb5eddee40a8 [0,2,0,0,0,0|2,0,0]=4 955 B8R0.7 C=C(C)CCCNC#N c612edd9bc2a53b37db122446edd9280 [0,2,0,0,0,0|2,0,0]=4 956 B8R0.7 C=C(C)CNCCON 9c6b8a562452fc0bf302ecc1ca1cf54d [0,2,0,0,0,0|2,0,0]=4 957 B8R0.7 C=C(Cl)CNCCON 604552368f32141c1480f423df238381 [0,2,0,0,0,0|2,0,0]=4 958 B8R0.7 C=C(F)CNCCON 354ee244b65b730598f9ca3f0ca2c095 [0,2,0,0,0,0|2,0,0]=4 959 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [0,2,0,0,0,0|2,0,0]=4 960 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [0,2,0,0,0,0|2,0,0]=4 961 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [0,2,0,0,0,0|2,0,0]=4 962 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [0,2,0,0,0,0|1,0,0]=3 963 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [0,2,0,0,0,0|2,0,0]=4 964 B8R0.7 C=CCCOCC(=O)N a0132ffbe9a7c321f35b6b60f1c77d37 [0,2,0,0,0,0|2,0,0]=4 965 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [0,2,0,0,0,0|1,0,0]=3 966 B8R0.7 C=CCCOCS(=O)O 5d59a515ca3d25853f48deb4680da2af [0,2,0,0,0,0|2,0,0]=4 967 B8R0.7 C=CCNCCC(=O)N c4e22c4e97d549ee7501dda7440906e2 [0,2,0,0,0,0|2,0,0]=4 968 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [0,2,0,0,0,0|1,0,0]=3 969 B8R0.7 C=CCNCCS(=O)O 9269ef3a997b531d0228a411ad4b56e1 [0,2,0,0,0,0|2,0,0]=4 970 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [0,2,0,0,0,0|2,0,0]=4 971 B8R0.7 C=CCOCCC(=O)N c683f70750e78c699bdb2e05fabddbb6 [0,2,0,0,0,0|2,0,0]=4 972 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [0,2,0,0,0,0|1,0,0]=3 973 B8R0.7 CC#CCNCC(=O)O 839a83969460cb5276f0ce2f33e20420 [0,2,0,0,0,0|1,0,1]=4 974 B8R0.7 CC#CCOCC(=O)O fcec6ff15e4ba99fb579eff8ab750539 [0,2,0,0,0,0|1,0,1]=4 975 B8R0.7 CC(=O)CCCNC#N 8b7273c99af5c82cd0047226199ec8d9 [0,2,0,0,0,0|1,0,0]=3 976 B8R0.7 CC(=O)CCCOCF c94204172541830dae5131095b16871b [0,2,0,0,0,0|2,0,0]=4 977 B8R0.7 CC(=O)CCNCC#N 769fb98f7c4af2806e1b1e6106e1fb3b [0,2,0,0,0,0|1,0,1]=4 978 B8R0.7 CC(=O)CCNCCBr 24723ec774300f363e1c4ef5edc15c1c [0,2,0,0,0,0|2,0,0]=4 979 B8R0.7 CC(=O)CCNCCF 40798bc4989369da7dcdf726fe0e87a1 [0,2,0,0,0,0|2,0,0]=4 980 B8R0.7 CC(=O)CCNCCI d7d5a1870b965338fecd7489cd9c07db [0,2,0,0,0,0|2,0,0]=4 981 B8R0.7 CC(=O)CCNCCO a83400d724de744cf447c1456bef989f [0,2,0,0,0,0|2,0,0]=4 982 B8R0.7 CC(=O)CCNCCS 47ae194edd083db7c9ba93ef9079950b [0,2,0,0,0,0|2,0,0]=4 983 B8R0.7 CC(=O)CCOCC#N e0071fb57f9ed70e6e69159a4d59ad92 [0,2,0,0,0,0|1,0,1]=4 984 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [0,2,0,0,0,0|2,0,0]=4 985 B8R0.7 CC(=O)CCOCCF 7fad36a16ea18946b1976097922c5d63 [0,2,0,0,0,0|2,0,0]=4 986 B8R0.7 CC(=O)CCOCCS 9f3db6cd3be1dbc7c558d110015ffb61 [0,2,0,0,0,0|2,0,0]=4 987 B8R0.7 CC(=O)CNCCC#N cee37c97fe16e1f2f71518cd3f26d1c6 [0,2,0,0,0,0|1,0,1]=4 988 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [0,2,0,0,0,0|2,0,0]=4 989 B8R0.7 CC(=O)CNCCCF 01d09128914fbef0e9d6c6589849cfeb [0,2,0,0,0,0|2,0,0]=4 990 B8R0.7 CC(=O)CNCCCO 6b18feab134fa1608a1e961ad3762058 [0,2,0,0,0,0|2,0,0]=4 991 B8R0.7 CC(=O)CNCCCS 482b044f1453b6ed81cab115d2862b45 [0,2,0,0,0,0|2,0,0]=4 992 B8R0.7 CC(=O)COCCC#N 124c12496a741677c11befadae46beff [0,2,0,0,0,0|1,0,1]=4 993 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [0,2,0,0,0,0|2,0,0]=4 994 B8R0.7 CC(=O)COCCCF 7e71123e6763570d0b52e6653e8ee828 [0,2,0,0,0,0|2,0,0]=4 995 B8R0.7 CC(=O)COCCCS 638442dc16e5a63efd8808c1ef8dea5e [0,2,0,0,0,0|2,0,0]=4 996 B8R0.7 CC(=O)NCCCC#N 4c43f07b4dd9f661d7f672a979b3f954 [0,2,0,0,0,0|1,0,1]=4 997 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [0,2,0,0,0,0|2,0,0]=4 998 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [0,2,0,0,0,0|2,0,0]=4 999 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [0,2,0,0,0,0|2,0,0]=4 1000 B8R0.7 CC(=O)NCCNC#N 95efa0023bceb0a2b0d79fbdaebbcbbd [0,2,0,0,0,0|2,0,0]=4 1001 B8R0.7 CC(=O)NCCNC=O 4f32f9322d14cf6774bb2f41854d1526 [0,2,0,0,0,0|2,0,0]=4 1002 B8R0.7 CC(=O)NCCNCF db91b63aaf221a36f5f6ac9412eb39bb [0,2,0,0,0,0|2,0,0]=4 1003 B8R0.7 CC(=O)NCCNCO 818a1f0b2f9e527fc51c0718d6aa51ec [0,2,0,0,0,0|2,0,0]=4 1004 B8R0.7 CC(=O)NCCOCF 64711f295825afc1aa99ebd9c8f8a648 [0,2,0,0,0,0|2,0,0]=4 1005 B8R0.7 CC(=O)NCOCCF 71f4d510aaa6fcd6f0cc129128b41850 [0,2,0,0,0,0|2,0,0]=4 1006 B8R0.7 CC(=O)NCOCCS ea386d431c82b5e4a577412c44abfbbd [0,2,0,0,0,0|2,0,0]=4 1007 B8R0.7 CC(=O)OCCNC#N d3b7a34c2be1145ddbc69d025dbeb0a2 [0,2,0,0,0,0|2,0,0]=4 1008 B8R0.7 CC(=O)OCCOCF 756380d609b85c4340107bc6c786fe33 [0,2,0,0,0,0|2,0,0]=4 1009 B8R0.7 CC(=O)OCNCCBr 174298ba317d3d2bde96945db1ddc7ca [0,2,0,0,0,0|2,0,0]=4 1010 B8R0.7 CC(=O)OCNCCF 63fb375855a825e0738d855f91fad5fd [0,2,0,0,0,0|2,0,0]=4 1011 B8R0.7 CC(=O)OCNCCI dbce8e98f599d4912e85f711777f148f [0,2,0,0,0,0|2,0,0]=4 1012 B8R0.7 CC(=O)OCNCCO 02ed0f7075f3856f82fcf4a6039e490a [0,2,0,0,0,0|2,0,0]=4 1013 B8R0.7 CC(=O)OCNCCS 754743a28ff18a32145801e587e13f07 [0,2,0,0,0,0|2,0,0]=4 1014 B8R0.7 CC(=O)OCOCCF 5b1b288bc16deebdd842b5c68c58b799 [0,2,0,0,0,0|2,0,0]=4 1015 B8R0.7 CC(=O)OCOCCS 5bf0970c2800c0896344fcb315a8ccbb [0,2,0,0,0,0|2,0,0]=4 1016 B8R0.7 CC(=O)SCCNC#N 2ae6bbba50ca20c4c7a6599298b92317 [0,2,0,0,0,0|2,0,0]=4 1017 B8R0.7 CC(O)CCCNC#N f5204db338ac95f905fdf8c02ea602e4 [0,2,0,0,0,0|1,0,1]=4 1018 B8R0.7 CC(O)CNCCON b1f97ecb062790a9ea413ad85e71fa34 [0,2,0,0,0,0|1,0,1]=4 1019 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [0,2,0,0,0,0|1,0,1]=4 1020 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [0,2,0,0,0,0|1,0,1]=4 1021 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [0,2,0,0,0,0|2,0,0]=4 1022 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [0,2,0,0,0,0|2,0,0]=4 1023 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [0,2,0,0,0,0|2,0,0]=4 1024 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [0,2,0,0,0,0|1,0,0]=3 1025 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [0,2,0,0,0,0|2,0,0]=4 1026 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [0,2,0,0,0,0|2,0,0]=4 1027 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [0,2,0,0,0,0|1,0,0]=3 1028 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [0,2,0,0,0,0|2,0,0]=4 1029 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [0,2,0,0,0,0|2,0,0]=4 1030 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [0,2,0,0,0,0|2,0,0]=4 1031 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [0,2,0,0,0,0|1,0,0]=3 1032 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [0,2,0,0,0,0|2,0,0]=4 1033 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [0,2,0,0,0,0|2,0,0]=4 1034 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [0,2,0,0,0,0|2,0,0]=4 1035 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [0,2,0,0,0,0|2,0,0]=4 1036 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [0,2,0,0,0,0|2,0,0]=4 1037 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [0,2,0,0,0,0|1,0,0]=3 1038 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [0,2,0,0,0,0|2,0,0]=4 1039 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [0,2,0,0,0,0|2,0,0]=4 1040 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [0,2,0,0,0,0|2,0,0]=4 1041 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [0,2,0,0,0,0|2,0,0]=4 1042 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [0,2,0,0,0,0|0,0,2]=4 1043 B8R0.7 CCNCC#CC(=O)O 451eb2c163912cae12c5d5f7dc6a6856 [0,2,0,0,0,0|0,0,2]=4 1044 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [0,2,0,0,0,0|0,0,2]=4 1045 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [0,2,0,0,0,0|1,0,0]=3 1046 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [0,2,0,0,0,0|0,0,0]=2 1047 B8R0.7 CCNCCCS(=O)C 391b9e72626e76cdd4e5a903c9b4bc67 [0,2,0,0,0,0|2,0,0]=4 1048 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [0,2,0,0,0,0|2,0,0]=4 1049 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [0,2,0,0,0,0|1,0,1]=4 1050 B8R0.7 CCOCC#CC(=O)O c98c8c0a09bdc73b6fd1ff1e3aa38396 [0,2,0,0,0,0|1,0,1]=4 1051 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [0,2,0,0,0,0|1,0,1]=4 1052 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [0,2,0,0,0,0|2,0,0]=4 1053 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [0,2,0,0,0,0|2,0,0]=4 1054 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [0,2,0,0,0,0|2,0,0]=4 1055 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [0,2,0,0,0,0|2,0,0]=4 1056 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [0,2,0,0,0,0|2,0,0]=4 1057 B8R0.7 CCOCNCC(=O)C 534404aa2bb4eb60a9a5f4f7d068a4cd [0,2,0,0,0,0|2,0,0]=4 1058 B8R0.7 CCOCNCC(=O)N 8c5834421c71bace2ac17791d8413420 [0,2,0,0,0,0|2,0,0]=4 1059 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [0,2,0,0,0,0|1,0,0]=3 1060 B8R0.7 CCOCOCC(=O)C e044734fa15c25bee2b20056cca4f1a8 [0,2,0,0,0,0|2,0,0]=4 1061 B8R0.7 CCOCOCC(=O)N 4677b548e92ecffae954122455550d38 [0,2,0,0,0,0|2,0,0]=4 1062 B8R0.7 CCOCOCS(=O)O f0f6516ce26ef8345e6a1b5134db53f6 [0,2,0,0,0,0|2,0,0]=4 1063 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [0,2,0,0,0,0|2,0,0]=4 1064 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [0,2,0,0,0,0|2,0,0]=4 1065 B8R0.7 COCCNCC(=O)C 961ddbf961717199cb7ccbe5fdba9647 [0,2,0,0,0,0|2,0,0]=4 1066 B8R0.7 COCCNCC(=O)N 137fcc310030132af81430a136880512 [0,2,0,0,0,0|2,0,0]=4 1067 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [0,2,0,0,0,0|1,0,0]=3 1068 B8R0.7 COCCOCC(=O)C c43dd4e6beb50da293ecb7edbd68b366 [0,2,0,0,0,0|2,0,0]=4 1069 B8R0.7 COCCOCC(=O)N 52e3a5cb41b7881a4ace23e25a8bc04a [0,2,0,0,0,0|2,0,0]=4 1070 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [0,2,0,0,0,0|1,0,0]=3 1071 B8R0.7 COCCOCS(=O)O 9425fd968f35d546d46a8c1e3b670b55 [0,2,0,0,0,0|2,0,0]=4 1072 B8R0.7 COCNCCC(=O)N 75a34d6a21e65f0fa9c3ab03a203332a [0,2,0,0,0,0|2,0,0]=4 1073 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [0,2,0,0,0,0|1,0,0]=3 1074 B8R0.7 COCNCCS(=O)O 9b0f09c32fdad7545dd3373c6db4845f [0,2,0,0,0,0|2,0,0]=4 1075 B8R0.7 COCOCCC(=O)C 85ebfe45bbace861b367f83c75d33358 [0,2,0,0,0,0|2,0,0]=4 1076 B8R0.7 COCOCCC(=O)N dacd263a3e35c03bcd8f525b496ade95 [0,2,0,0,0,0|2,0,0]=4 1077 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [0,2,0,0,0,0|1,0,0]=3 1078 B8R0.7 CS(=O)CCCNC=O ac978e4dec6c59820deb2d60499ba3b0 [0,2,0,0,0,0|2,0,0]=4 1079 B8R0.7 CS(=O)CCCNCF 1782bd36c07605f68f0fc42848ad0ff8 [0,2,0,0,0,0|2,0,0]=4 1080 B8R0.7 CS(=O)CCCNCO 61e6364bb166cbf2cabd3dc6ad6ca626 [0,2,0,0,0,0|2,0,0]=4 1081 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [0,2,0,0,0,0|2,0,0]=4 1082 B8R0.7 CSCCNCC(=O)C 8b0311856afbb6796c6aad3a263d628d [0,2,0,0,0,0|2,0,0]=4 1083 B8R0.7 CSCCNCC(=O)N 4e8fca086c3faa7db23a74b3dfff0f2f [0,2,0,0,0,0|2,0,0]=4 1084 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [0,2,0,0,0,0|1,0,0]=3 1085 B8R0.7 CSCCOCC(=O)C fd4e693f71d7966351ba22f8108e19ff [0,2,0,0,0,0|2,0,0]=4 1086 B8R0.7 CSCCOCC(=O)N c731f0739b7e1ef13acc36f6574a92da [0,2,0,0,0,0|2,0,0]=4 1087 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [0,2,0,0,0,0|1,0,0]=3 1088 B8R0.7 CSCCOCS(=O)O 15541620354d70e96c81747abb1141b3 [0,2,0,0,0,0|2,0,0]=4 1089 B8R0.7 CSCNCCC(=O)N 2c9d140685046003cf9f9ad555d9359d [0,2,0,0,0,0|2,0,0]=4 1090 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [0,2,0,0,0,0|1,0,0]=3 1091 B8R0.7 CSCNCCS(=O)O 14787ffddc12e16cb93df9154674fbee [0,2,0,0,0,0|2,0,0]=4 1092 B8R0.7 CSCOCCC(=O)C b844a3f3dbea733d811f327fadd49286 [0,2,0,0,0,0|2,0,0]=4 1093 B8R0.7 CSCOCCC(=O)N 80656c5e91a3a0e1eab18691c1ff654d [0,2,0,0,0,0|2,0,0]=4 1094 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [0,2,0,0,0,0|1,0,0]=3 1095 B8R0.7 C[C@@H](O)CNCCON cf5735b15a5d6d2ceccc8de528ff0d1e [0,2,0,0,0,0|1,0,1]=4 1096 B8R0.7 C[C@H](O)CNCCON 0c3e84561343164f8035aff04b6f605b [0,2,0,0,0,0|1,0,1]=4 1097 B8R0.7 N#CCCNCC(=O)N 22baa5d30b3fc28c227dca0f335531a0 [0,2,0,0,0,0|1,0,1]=4 1098 B8R0.7 N#CCCNCC(=O)O 7bfcf1dd2660ba45e086fc214d0fdf1b [0,2,0,0,0,0|0,0,1]=3 1099 B8R0.7 N#CCCOCC(=O)N b99ce03c0315cf66d8d4c6d4a3bf1d14 [0,2,0,0,0,0|1,0,1]=4 1100 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [0,2,0,0,0,0|0,0,1]=3 1101 B8R0.7 N#CCCOCS(=O)O 6f47e4ac524ed4512872a0510dfb2a50 [0,2,0,0,0,0|1,0,1]=4 1102 B8R0.7 N#CCNCCC(=O)N dc2c92addb1257280c2705d4f7fcbab5 [0,2,0,0,0,0|1,0,1]=4 1103 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [0,2,0,0,0,0|0,0,1]=3 1104 B8R0.7 N#CCNCCS(=O)O a967ed9288a61b676a18650e41024e64 [0,2,0,0,0,0|1,0,1]=4 1105 B8R0.7 N#CCOCCC(=O)N 948f9d5fd94bc56f98e2861842051f65 [0,2,0,0,0,0|1,0,1]=4 1106 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [0,2,0,0,0,0|0,0,1]=3 1107 B8R0.7 N#CNC/C=C/C(=O)O 917c035ac4501d7b94c08fd15eb36b27 [0,2,0,0,0,0|0,0,2]=4 1108 B8R0.7 N#CNCC=CC(=O)O 36157bd0fc8f8536ac65283b8d7be8b2 [0,2,0,0,0,0|0,0,2]=4 1109 B8R0.7 N#CNCCCC(=O)N ef227e040a3bcca70ffd623e61b2b8f8 [0,2,0,0,0,0|1,0,0]=3 1110 B8R0.7 N#CNCCC[N+](=O)[O-] 323a70ac1a2c5b27867dee2b4c75951a [0,2,0,0,0,0|1,0,1]=4 1111 B8R0.7 N#CNCCNC(=O)N 2bc49058d4c251f227778da71dfe0589 [0,2,0,0,0,0|2,0,0]=4 1112 B8R0.7 N#CSCOCC(=O)O f04eba213eb0e16424d9312cff8fec49 [0,2,0,0,0,0|0,0,2]=4 1113 B8R0.7 NC(=O)CCCNC=O 5a008bd91d929501df5e65e014bf8d35 [0,2,0,0,0,0|1,0,0]=3 1114 B8R0.7 NC(=O)CCCNCF 69e545c202cd7c9a6342c69c6e6a5f59 [0,2,0,0,0,0|1,0,0]=3 1115 B8R0.7 NC(=O)CCCNCO f70a60c235672d89293f900a8d9cefa7 [0,2,0,0,0,0|1,0,0]=3 1116 B8R0.7 NC(=O)CCCOCF 15f9a4387dce16382a2e493f0dda5b13 [0,2,0,0,0,0|2,0,0]=4 1117 B8R0.7 NC(=O)CCNCC=O bc87ead88c5b068b2b991d595ef66ed6 [0,2,0,0,0,0|2,0,0]=4 1118 B8R0.7 NC(=O)CCNCCBr ef24ce00bd552b4c7b9798b47e83c534 [0,2,0,0,0,0|2,0,0]=4 1119 B8R0.7 NC(=O)CCNCCF 6b59759188d6118acfcc7c61e6ea8d88 [0,2,0,0,0,0|2,0,0]=4 1120 B8R0.7 NC(=O)CCNCCI 3bfe0d669e39520f94e74660ecea4a46 [0,2,0,0,0,0|2,0,0]=4 1121 B8R0.7 NC(=O)CCNCCO ea9a91e023644befadbf5d244e261bb0 [0,2,0,0,0,0|2,0,0]=4 1122 B8R0.7 NC(=O)CCNCCS c12ed7aa66bfc39da304ecb7c8d6cdd6 [0,2,0,0,0,0|2,0,0]=4 1123 B8R0.7 NC(=O)CCOCC=O 0f8544d00ceae7ccf81f543e5c4d2807 [0,2,0,0,0,0|2,0,0]=4 1124 B8R0.7 NC(=O)CCOCCF 21f605ef26e643b6ae8cba650c7f6b82 [0,2,0,0,0,0|2,0,0]=4 1125 B8R0.7 NC(=O)CCOCCS 2a5607f5a17aca280aa8d0bbb5f8e88b [0,2,0,0,0,0|2,0,0]=4 1126 B8R0.7 NC(=O)CNCCC=O 388d425389a4b244bea589395eabcddd [0,2,0,0,0,0|2,0,0]=4 1127 B8R0.7 NC(=O)CNCCCCl 1db53d8b6e8ec0b45f5ac5aea65a66af [0,2,0,0,0,0|2,0,0]=4 1128 B8R0.7 NC(=O)CNCCCF b8df96f83ebeea4472e3f0cf574d5c10 [0,2,0,0,0,0|2,0,0]=4 1129 B8R0.7 NC(=O)CNCCCO f7f428c6be3a0f96cc03fd2549aaf101 [0,2,0,0,0,0|2,0,0]=4 1130 B8R0.7 NC(=O)CNCCCS 0cd1ecba18cd09d4875eb7edc039e565 [0,2,0,0,0,0|2,0,0]=4 1131 B8R0.7 NC(=O)COCCC=O a002e12bccccfe874b23b19106d1c078 [0,2,0,0,0,0|2,0,0]=4 1132 B8R0.7 NC(=O)COCCCF 4c181403b43bd0150828aba20f5caec7 [0,2,0,0,0,0|2,0,0]=4 1133 B8R0.7 NC(=O)COCCCS 4ccafd8c8a1e89284daea9397b358185 [0,2,0,0,0,0|2,0,0]=4 1134 B8R0.7 NC(=O)NCCOCF 6cf2e6129bf0181d6cd1339653610748 [0,2,0,0,0,0|2,0,0]=4 1135 B8R0.7 NC(=O)NCOCCF 70e12722ed7f3cb3265862a7036f0a5b [0,2,0,0,0,0|2,0,0]=4 1136 B8R0.7 NC(=O)NCOCCS 31a58401280f8e87024f965b56e917c9 [0,2,0,0,0,0|2,0,0]=4 1137 B8R0.7 NC(=O)SCNCCBr a18bbb3388dfdcfd1f6f509fd5fbda0b [0,2,0,0,0,0|2,0,0]=4 1138 B8R0.7 NC(=O)SCNCCF 4a29eb06061c53fde2f8ddeddc4ba291 [0,2,0,0,0,0|2,0,0]=4 1139 B8R0.7 NC(=O)SCNCCI cb063e4fec88bd89544691f69806660f [0,2,0,0,0,0|2,0,0]=4 1140 B8R0.7 NC(=O)SCNCCO 1bbc095343c94ca3982d1ab4934c107c [0,2,0,0,0,0|2,0,0]=4 1141 B8R0.7 NC(=O)SCNCCS 0b0215353189fed4528d74a89e9c9b1e [0,2,0,0,0,0|2,0,0]=4 1142 B8R0.7 NC(=O)SCOCCS 7bd5c5dadb46c042939556ce57d641a3 [0,2,0,0,0,0|2,0,0]=4 1143 B8R0.7 NOCCNCC(=O)N 992a9e03e4089afbd7c51b6a0a2fa2b4 [0,2,0,0,0,0|1,0,0]=3 1144 B8R0.7 NOCCNCC(=O)O 567becea339978b1d5a450bf35e41e83 [0,2,0,0,0,0|0,0,0]=2 1145 B8R0.7 NOCCNC[N+](=O)[O-] 03f95cb178416a43c05f6e68aaae00de [0,2,0,0,0,0|1,0,1]=4 1146 B8R0.7 O=C(O)/C=C/CNCF bf1a500decef8c303d3f6a742fbbad66 [0,2,0,0,0,0|0,0,2]=4 1147 B8R0.7 O=C(O)/C=C/CNCO 636d80fa901fc7691204fa365c3594e9 [0,2,0,0,0,0|0,0,2]=4 1148 B8R0.7 O=C(O)/C=C/COCF ebed56b3d2d90acdfdb36d8c22e5f4aa [0,2,0,0,0,0|1,0,1]=4 1149 B8R0.7 O=C(O)C#CCNCF 7519bad034828dbb348ed63c84cc1b7c [0,2,0,0,0,0|0,0,2]=4 1150 B8R0.7 O=C(O)C#CCNCO 297294ec25ae437fba70a300a9c77cbc [0,2,0,0,0,0|0,0,2]=4 1151 B8R0.7 O=C(O)C#CCOCF 1f778b163f31fe4fd4bef0be35cf5468 [0,2,0,0,0,0|1,0,1]=4 1152 B8R0.7 O=C(O)C=CCNCF 3f514297543f3f20f01aa027e709b899 [0,2,0,0,0,0|0,0,2]=4 1153 B8R0.7 O=C(O)C=CCNCO d0e67b57ae84da8c5e0237ae3ec49a86 [0,2,0,0,0,0|0,0,2]=4 1154 B8R0.7 O=C(O)C=CCOCF ff531e5fc8f016fd8f892ee935d373af [0,2,0,0,0,0|1,0,1]=4 1155 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [0,2,0,0,0,0|0,0,0]=2 1156 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [0,2,0,0,0,0|0,0,0]=2 1157 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [0,2,0,0,0,0|1,0,0]=3 1158 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [0,2,0,0,0,0|1,0,0]=3 1159 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [0,2,0,0,0,0|1,0,0]=3 1160 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [0,2,0,0,0,0|1,0,0]=3 1161 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [0,2,0,0,0,0|1,0,0]=3 1162 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [0,2,0,0,0,0|1,0,0]=3 1163 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [0,2,0,0,0,0|1,0,0]=3 1164 B8R0.7 O=C(O)CNC/C=C/Cl a02c0fde949bfab42ff175ce598a29df [0,2,0,0,0,0|1,0,1]=4 1165 B8R0.7 O=C(O)CNC/C=C\Cl daa8db9a6890a10062e4294c482e15c4 [0,2,0,0,0,0|1,0,1]=4 1166 B8R0.7 O=C(O)CNC/C=C\O fcaf4aee7217c0e4fd5dd5a9fcf238f8 [0,2,0,0,0,0|1,0,1]=4 1167 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [0,2,0,0,0,0|1,0,0]=3 1168 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [0,2,0,0,0,0|1,0,0]=3 1169 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [0,2,0,0,0,0|1,0,0]=3 1170 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [0,2,0,0,0,0|1,0,0]=3 1171 B8R0.7 O=C(O)COC/C=C/Cl c3f3f7ffc75efe73a4f3269177d5d6f7 [0,2,0,0,0,0|1,0,1]=4 1172 B8R0.7 O=C(O)COC/C=C\Cl 606e0e0eece79d7db405143c5a9c7049 [0,2,0,0,0,0|1,0,1]=4 1173 B8R0.7 O=C(O)COCC#CI 7c61fccf86955d47ed0098a260c414a8 [0,2,0,0,0,0|1,0,1]=4 1174 B8R0.7 O=C(O)COCC=CCl 0752457ce4c981dbe25441df90db13c7 [0,2,0,0,0,0|1,0,1]=4 1175 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [0,2,0,0,0,0|1,0,0]=3 1176 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [0,2,0,0,0,0|1,0,0]=3 1177 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [0,2,0,0,0,0|1,0,0]=3 1178 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [0,2,0,0,0,0|1,0,0]=3 1179 B8R0.7 O=CCCOCS(=O)O 3a0ab0c4f21b2feafdd9aaf59c492e10 [0,2,0,0,0,0|2,0,0]=4 1180 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [0,2,0,0,0,0|1,0,0]=3 1181 B8R0.7 O=CCNCCS(=O)O 104aeeba492ec25284f66848d37f717a [0,2,0,0,0,0|2,0,0]=4 1182 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [0,2,0,0,0,0|1,0,0]=3 1183 B8R0.7 O=S(O)CCNCCF 6ae83f604fb3678c54ffa14683ab0e36 [0,2,0,0,0,0|2,0,0]=4 1184 B8R0.7 O=S(O)CCNCCO 7974b1bc97ad54f4d29705e06d65fa2c [0,2,0,0,0,0|2,0,0]=4 1185 B8R0.7 O=S(O)CCNCCS 55afdc590ce640566907268f0a80beef [0,2,0,0,0,0|2,0,0]=4 1186 B8R0.7 O=S(O)COCCCF 30d2ec6240fb1c16499271a4f6492117 [0,2,0,0,0,0|2,0,0]=4 1187 B8R0.7 O=S(O)COCCCS beb0163d74ad014150e5e05594464f98 [0,2,0,0,0,0|2,0,0]=4 1188 B8R0.21 CCCNCS(=O)(=O)O c0c272cba9e882210fb295ca9f24006a [0,2,0,0,0,0|2,0,0]=4 1189 B8R0.21 CCNCCS(=O)(=O)O 2a00cc1ab8033a535223ac3984606ce9 [0,2,0,0,0,0|2,0,0]=4 1190 B8R0.21 CCOCCS(=O)(=O)O 2698595bcb393ca998eedd4abca0a0be [0,2,0,0,0,0|2,0,0]=4 1191 B8R0.21 O=S(=O)(O)CCNCF 64721f07afe8803d68db9f095e41b240 [0,2,0,0,0,0|2,0,0]=4 1192 B8R0.21 O=S(=O)(O)CCNCO 2bf5c62c4ea2b6b7b699878157d83fbc [0,2,0,0,0,0|2,0,0]=4 1193 B8R0.21 O=S(=O)(O)CCOCF f0e9c029664c3637e20f92a702ad5e93 [0,2,0,0,0,0|2,0,0]=4 1194 B8R0.21 O=S(=O)(O)CNCCBr 39384781ab8ced3c46e702ed1a016fa0 [0,2,0,0,0,0|2,0,0]=4 1195 B8R0.21 O=S(=O)(O)CNCCF 518e304fb04a6d64296eeff3e3703547 [0,2,0,0,0,0|2,0,0]=4 1196 B8R0.21 O=S(=O)(O)CNCCI 980de2793553854b7b80f9bc404c21ae [0,2,0,0,0,0|2,0,0]=4 1197 B8R0.21 O=S(=O)(O)CNCCO 21a8a84caaf2ec0426f64a432c6ccee3 [0,2,0,0,0,0|2,0,0]=4 1198 B8R0.21 O=S(=O)(O)CNCCS dd21da3dfbd433caf9bcaab91f5648b2 [0,2,0,0,0,0|2,0,0]=4 1199 B8R0.28 C=C(Br)CNCC(=O)O 05b7dbb61d35e1c0bd7bb81a555d18bd [0,2,0,0,0,0|1,0,1]=4 1200 B8R0.28 C=C(Br)COCC(=O)O e8e184098bedf613b29dafbf59df235c [0,2,0,0,0,0|1,0,1]=4 1201 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [0,2,0,0,0,0|1,0,1]=4 1202 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [0,2,0,0,0,0|1,0,1]=4 1203 B8R0.28 C=C(Cl)CNCC(=O)O 0ea0d61f8e1c4c420d416d9dc1a60953 [0,2,0,0,0,0|1,0,1]=4 1204 B8R0.28 C=C(Cl)COCC(=O)O ee8599d3a22727e83bdc3c798e5397dc [0,2,0,0,0,0|1,0,1]=4 1205 B8R0.28 C=C(F)CNCC(=O)O aab76ef26695cab61ed52383b845bb72 [0,2,0,0,0,0|1,0,1]=4 1206 B8R0.28 C=C(F)COCC(=O)O f5776b84ba2c7eb610e1eea7ce1c5fab [0,2,0,0,0,0|1,0,1]=4 1207 B8R0.28 C=C(I)COCC(=O)O 52bbc10c521352de8ec4983b6d539a87 [0,2,0,0,0,0|1,0,1]=4 1208 B8R0.28 CC(=O)CCOC(C)C aa63e522dd0ebf165c9748d141547c49 [0,2,0,0,0,0|2,0,0]=4 1209 B8R0.28 CC(=O)CNCC(=O)N bbda1f980dd395779fd519fc93ff8e42 [0,2,0,0,0,0|1,0,1]=4 1210 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [0,2,0,0,0,0|1,0,1]=4 1211 B8R0.28 CC(=O)CNCC(C)C 58247fbcbea9991e7cd9ed1b77ee7a40 [0,2,0,0,0,0|2,0,0]=4 1212 B8R0.28 CC(=O)CNCC(C)O 5f353bb8460ab4b4998d7b1c0d718029 [0,2,0,0,0,0|2,0,0]=4 1213 B8R0.28 CC(=O)CNCC(F)F 040d59234b7876c01745adf80e5ff725 [0,2,0,0,0,0|2,0,0]=4 1214 B8R0.28 CC(=O)CNCN(C)C ec5ebd7a403a45eadc9cad461d333fc2 [0,2,0,0,0,0|2,0,0]=4 1215 B8R0.28 CC(=O)CNC[C@@H](C)O 289cb2833e34a4679529caaeb671569a [0,2,0,0,0,0|2,0,0]=4 1216 B8R0.28 CC(=O)CNC[C@H](C)O 8f9759e3f6a23502911152a314ede481 [0,2,0,0,0,0|2,0,0]=4 1217 B8R0.28 CC(=O)COCC(=O)N 7a09bf9a262295e1e2b0e443dba0be09 [0,2,0,0,0,0|1,0,1]=4 1218 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [0,2,0,0,0,0|1,0,1]=4 1219 B8R0.28 CC(=O)COCC(C)C 63d13f7ca3ddeaa73dc93b4258f7679e [0,2,0,0,0,0|2,0,0]=4 1220 B8R0.28 CC(=O)COCC(F)F 1c8a3357ef90b18ca0f3f98579cdfed3 [0,2,0,0,0,0|2,0,0]=4 1221 B8R0.28 CC(=O)COCN(C)C 0fabcf829b746355f1de3762558cb13f [0,2,0,0,0,0|2,0,0]=4 1222 B8R0.28 CC(=O)NCCC(=O)N 827b1ffc457a73bdad9dad1a9ea1d8a3 [0,2,0,0,0,0|1,0,1]=4 1223 B8R0.28 CC(=O)NCCC(=S)N 80570d0c786305766e6afa5b1bb610c3 [0,2,0,0,0,0|1,0,1]=4 1224 B8R0.28 CC(=O)NCCC(C)C b73f1b13554baa3e34a3560715777fc7 [0,2,0,0,0,0|2,0,0]=4 1225 B8R0.28 CC(=O)NCCC(C)O 9f83d99fdee0bda30ff85f31b4ee4b24 [0,2,0,0,0,0|2,0,0]=4 1226 B8R0.28 CC(=O)NCCC(F)F 4173536c2fddb4363b9de4250b8bab34 [0,2,0,0,0,0|2,0,0]=4 1227 B8R0.28 CC(=O)NCCN(C)C 4d10f56d353a729da2aad8b96e7ef495 [0,2,0,0,0,0|2,0,0]=4 1228 B8R0.28 CC(=O)NCC[C@@H](C)O 40ba395f3243b6aab3575e45be2f2594 [0,2,0,0,0,0|2,0,0]=4 1229 B8R0.28 CC(=O)NCC[C@H](C)O ac547764dcce609b723a03cd4268cf9c [0,2,0,0,0,0|2,0,0]=4 1230 B8R0.28 CC(C)CNCC(=O)N 387d837e6273849b1cdad6a6a721ebd2 [0,2,0,0,0,0|2,0,0]=4 1231 B8R0.28 CC(C)CNCC(=O)O e07c47544f784e3ece77975eaa39fa62 [0,2,0,0,0,0|1,0,0]=3 1232 B8R0.28 CC(C)COCC(=O)N 80d16d817ce82c87fac95f334c2d23e2 [0,2,0,0,0,0|2,0,0]=4 1233 B8R0.28 CC(C)COCC(=O)O 569b76ca429bc6806415c3ae92c5e81d [0,2,0,0,0,0|1,0,0]=3 1234 B8R0.28 CC(C)COCS(=O)O 28c686504a6dcd9fda3dd07e4e3670ff [0,2,0,0,0,0|2,0,0]=4 1235 B8R0.28 CC(C)NCCC(=O)N 69c941b0389a0756f6e4daf4a9ab0a1c [0,2,0,0,0,0|2,0,0]=4 1236 B8R0.28 CC(C)NCCC(=O)O f0554134cac289d8b7cbdbda8f5830d8 [0,2,0,0,0,0|1,0,0]=3 1237 B8R0.28 CC(C)NCCS(=O)O 263a3deff9fb38c3a098f5239db29a80 [0,2,0,0,0,0|2,0,0]=4 1238 B8R0.28 CC(C)OCCC(=O)N 4ee5da2191d5f265d860cb9cfbdd86d0 [0,2,0,0,0,0|2,0,0]=4 1239 B8R0.28 CC(C)OCCC(=O)O a2f1c0df938b61e89340f22784f5d552 [0,2,0,0,0,0|1,0,0]=3 1240 B8R0.28 CC(F)COCC(=O)N e9a9dcc4f520190840a7681321655420 [0,2,0,0,0,0|2,0,0]=4 1241 B8R0.28 CC(F)COCC(=O)O 5825b41f210e11c756bbcfb99cc1b006 [0,2,0,0,0,0|1,0,0]=3 1242 B8R0.28 CC(O)CNCC(=O)N 3341accee510efc87cc2f7b3f340be25 [0,2,0,0,0,0|2,0,0]=4 1243 B8R0.28 CC(O)CNCC(=O)O 0fd36ebbcdac4288c2c1e57036c66736 [0,2,0,0,0,0|1,0,0]=3 1244 B8R0.28 CC(S)COCC(=O)N 82763365c9d88e903f647e90bafc9568 [0,2,0,0,0,0|2,0,0]=4 1245 B8R0.28 CC(S)COCC(=O)O 572404985c8dcbb1715d2ff9748114ee [0,2,0,0,0,0|1,0,0]=3 1246 B8R0.28 CN(C)CNCC(=O)N 61dc06082070ca26d637fe3f6c04d6ee [0,2,0,0,0,0|2,0,0]=4 1247 B8R0.28 CN(C)CNCC(=O)O e6fa8314318b79cfd8ae4ca00ea3b758 [0,2,0,0,0,0|1,0,0]=3 1248 B8R0.28 CN(C)COCC(=O)N 419913c96364efa4322cd65a17692db0 [0,2,0,0,0,0|2,0,0]=4 1249 B8R0.28 CN(C)COCC(=O)O fc3ba42b9747b2743ad7eda51803bfcf [0,2,0,0,0,0|1,0,0]=3 1250 B8R0.28 CN(C)COCS(=O)O 31b80e781d9b95ad4f23dc71b05264ed [0,2,0,0,0,0|2,0,0]=4 1251 B8R0.28 C[C@@H](F)COCC(=O)N 26ec5b6c1520beb81cb66bb9beb36fee [0,2,0,0,0,0|2,0,0]=4 1252 B8R0.28 C[C@@H](F)COCC(=O)O d9eb7ecba762e434dc71a2e535d45ab3 [0,2,0,0,0,0|1,0,0]=3 1253 B8R0.28 C[C@@H](O)CNCC(=O)N f96380b9f6a9b4fe64a1f461f7c8c0ef [0,2,0,0,0,0|2,0,0]=4 1254 B8R0.28 C[C@@H](O)CNCC(=O)O 6173ec4fb928b6f3ec52f242f1027a0f [0,2,0,0,0,0|1,0,0]=3 1255 B8R0.28 C[C@H](F)COCC(=O)N 7c480ef07c1a9a0730d837d631e998ff [0,2,0,0,0,0|2,0,0]=4 1256 B8R0.28 C[C@H](F)COCC(=O)O 5eaade2b5a7f385567c5eb3b69b32ab7 [0,2,0,0,0,0|1,0,0]=3 1257 B8R0.28 C[C@H](O)CNCC(=O)N dab4e7fe2a5d0d056345029620f69bd6 [0,2,0,0,0,0|2,0,0]=4 1258 B8R0.28 C[C@H](O)CNCC(=O)O 369122c3216fc4d9a4a5ea858770fa62 [0,2,0,0,0,0|1,0,0]=3 1259 B8R0.28 NC(=O)CNCC(=O)N 1869e6b85d32c869afb793b481c9e53a [0,2,0,0,0,0|1,0,1]=4 1260 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [0,2,0,0,0,0|0,0,1]=3 1261 B8R0.28 NC(=O)CNCC(F)F 602feedc68194f5f28e59a8b32c64405 [0,2,0,0,0,0|2,0,0]=4 1262 B8R0.28 NC(=O)COCC(=O)N 1d54b946a21ae0d810b48883329d2917 [0,2,0,0,0,0|1,0,1]=4 1263 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [0,2,0,0,0,0|0,0,1]=3 1264 B8R0.28 NC(=O)COCC(=S)N 60355b737487d42bec12930c63b7fb72 [0,2,0,0,0,0|1,0,1]=4 1265 B8R0.28 NC(=O)COCC(F)F 1a68919610823a07c8896dac818d8351 [0,2,0,0,0,0|2,0,0]=4 1266 B8R0.28 NC(=O)COCS(=O)O 69298b969cdd7f9a6e0864a9e1722ad2 [0,2,0,0,0,0|1,0,1]=4 1267 B8R0.28 NC(=S)COCC(=O)O 29d31950ca99b5fd12dd696af3cc0c91 [0,2,0,0,0,0|0,0,1]=3 1268 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [0,2,0,0,0,0|1,0,1]=4 1269 B8R0.28 O=C(O)CNCC(F)F 040842ed6827b9851af762c119c56595 [0,2,0,0,0,0|1,0,0]=3 1270 B8R0.28 O=C(O)CNC[N+](=O)[O-] 806b61457d3ba2a02c5db02823c3bf09 [0,2,0,0,0,0|1,0,1]=4 1271 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [0,2,0,0,0,0|1,0,1]=4 1272 B8R0.28 O=C(O)COCC(F)F 9e8fe105feb56c3ab08ea5459b7002d2 [0,2,0,0,0,0|1,0,0]=3 1273 B8R0.28 O=C(O)COCS(=O)O 5f5dfe808e062671c6c68f22db3ca309 [0,2,0,0,0,0|2,0,0]=4 1274 B8R0.28 O=C(O)COC[N+](=O)[O-] 6de314e5255acc45a8e7039e67021f9e [0,2,0,0,0,0|1,0,1]=4 1275 B8R0.28 O=S(O)COCC(F)F b3ce82b3760f3d678a410c01efdbc28c [0,2,0,0,0,0|2,0,0]=4 1276 B8R0.12 CC(C)(NCF)C(=O)O f9e92278861b7cfa6593cc57e317672c [0,2,0,0,0,0|2,0,0]=4 1277 B8R0.12 CC(C)(NCO)C(=O)O b9fb05c46397d03ef9aa863b94853bfb [0,2,0,0,0,0|2,0,0]=4 1278 B8R0.12 CCNC(C)(C)C(=O)O 6a4bebf8bb98ff706835230f86b4cd13 [0,2,0,0,0,0|2,0,0]=4 1279 B8R0.15 C#CC(OCC)C(=O)O ad5f5db2dc84c44b6973fc430054569b [0,2,0,0,0,0|2,0,0]=4 1280 B8R0.15 C#CC(OCF)C(=O)O da8616f2b4b95281efb315c25eed2430 [0,2,0,0,0,0|2,0,0]=4 1281 B8R0.15 C=CC(NCC)C(=O)O b4ac7d60381bf72b1b23118f771cafec [0,2,0,0,0,0|2,0,0]=4 1282 B8R0.15 C=CC(NCF)C(=O)O 3b1cadf10156d31d21dabae90070459b [0,2,0,0,0,0|2,0,0]=4 1283 B8R0.15 C=CC(NCO)C(=O)O 02434f0cc2ab88a157fbbfde94d9a490 [0,2,0,0,0,0|2,0,0]=4 1284 B8R0.15 C=C[C@H](NCC)C(=O)O 5c2988d6d8a73101b114f1f85def6c90 [0,2,0,0,0,0|2,0,0]=4 1285 B8R0.15 C=C[C@H](NCF)C(=O)O d143ab86678a93c80c8a056198d3e9e0 [0,2,0,0,0,0|2,0,0]=4 1286 B8R0.15 C=C[C@H](NCO)C(=O)O 91a74614650e784312c5d23758a5a16b [0,2,0,0,0,0|2,0,0]=4 1287 B8R0.15 CCC(NCF)C(=O)O 850ee032ff8e5d86c20bab43e234fbb6 [0,2,0,0,0,0|2,0,0]=4 1288 B8R0.15 CCC(NCO)C(=O)O db363ec4295a86c2fa409aac06a566a2 [0,2,0,0,0,0|2,0,0]=4 1289 B8R0.15 CCC(OCF)C(=O)O ef6f04d4d4b7d499812df6ebe4668f47 [0,2,0,0,0,0|2,0,0]=4 1290 B8R0.15 CCNC(CC)C(=O)O 811bed40f759e9415b190b45b938f031 [0,2,0,0,0,0|2,0,0]=4 1291 B8R0.15 CCNC(CCl)C(=O)O a1a6122a812437e412d0d064cc9dd1e8 [0,2,0,0,0,0|2,0,0]=4 1292 B8R0.15 CCNC(CF)C(=O)O 017cf9dba405ee85cd9a648c4507e326 [0,2,0,0,0,0|2,0,0]=4 1293 B8R0.15 CCNC(CO)C(=O)O ebf98372f13717a9df2df682387bdc5a [0,2,0,0,0,0|2,0,0]=4 1294 B8R0.15 CCNC(CS)C(=O)O 8d04389a625618eb9889b3cd17b2e8e6 [0,2,0,0,0,0|2,0,0]=4 1295 B8R0.15 CCN[C@@H](CC)C(=O)O ad39164e8fc918d5e58308b586171474 [0,2,0,0,0,0|2,0,0]=4 1296 B8R0.15 CCN[C@@H](CCl)C(=O)O 81a0c413a80ec8dc4a086548b2e2f8a3 [0,2,0,0,0,0|2,0,0]=4 1297 B8R0.15 CCN[C@@H](CO)C(=O)O e2d91799e466e2d5ad0fbeab938b0c5a [0,2,0,0,0,0|2,0,0]=4 1298 B8R0.15 CCN[C@@H](CS)C(=O)O ecb0401bca4bb7db9d87809814f9d4f3 [0,2,0,0,0,0|2,0,0]=4 1299 B8R0.15 CCN[C@H](CC)C(=O)O f7f7d1d8bf30d5fe2da91fe96021fe3c [0,2,0,0,0,0|2,0,0]=4 1300 B8R0.15 CCN[C@H](CCl)C(=O)O 26dcc066f21950a5ba1142c74ad60cbc [0,2,0,0,0,0|2,0,0]=4 1301 B8R0.15 CCN[C@H](CO)C(=O)O ceca2f5f870f50fddc0292e18011d619 [0,2,0,0,0,0|2,0,0]=4 1302 B8R0.15 CCN[C@H](CS)C(=O)O 7c010ea0d3f5055c0e7214a8d340a87c [0,2,0,0,0,0|2,0,0]=4 1303 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [0,2,0,0,0,0|2,0,0]=4 1304 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [0,2,0,0,0,0|2,0,0]=4 1305 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [0,2,0,0,0,0|2,0,0]=4 1306 B8R0.15 CCO[C@H](CF)C(=O)O afbab515ead87d58e6c9f68e24ff80d8 [0,2,0,0,0,0|2,0,0]=4 1307 B8R0.15 CC[C@@H](NCF)C(=O)O 9592ba18488e06d007c56e3bb749b243 [0,2,0,0,0,0|2,0,0]=4 1308 B8R0.15 CC[C@@H](NCO)C(=O)O 97715112de1ce5ecb2509133cc9cdaa1 [0,2,0,0,0,0|2,0,0]=4 1309 B8R0.15 CC[C@@H](OCF)C(=O)O 04c614c037a7fb2cad756976721bea17 [0,2,0,0,0,0|2,0,0]=4 1310 B8R0.15 CC[C@H](NCF)C(=O)O 92c72ae7fc2c9386004189c4ccda19a9 [0,2,0,0,0,0|2,0,0]=4 1311 B8R0.15 CC[C@H](NCO)C(=O)O 095847387652246d94b75d260940e322 [0,2,0,0,0,0|2,0,0]=4 1312 B8R0.15 CC[C@H](OCF)C(=O)O c3e3503168943a92d052ee029c13c59a [0,2,0,0,0,0|2,0,0]=4 1313 B8R0.15 O=C(O)C(CCl)NCF 345f20f31e3e9323b766d08f3e4d0312 [0,2,0,0,0,0|2,0,0]=4 1314 B8R0.15 O=C(O)C(CCl)NCO 87909341b2a2401adb94a3e449acbeeb [0,2,0,0,0,0|2,0,0]=4 1315 B8R0.15 O=C(O)C(CF)NCF 3c68b2ec2d74233cffc4fb4e71bbb94b [0,2,0,0,0,0|2,0,0]=4 1316 B8R0.15 O=C(O)C(CF)NCO 8882ba16164d78cec81fe4b00fda2ae1 [0,2,0,0,0,0|2,0,0]=4 1317 B8R0.15 O=C(O)C(CO)NCF 9eea1e72a00cd3dd12c33ca4052b702a [0,2,0,0,0,0|2,0,0]=4 1318 B8R0.15 O=C(O)C(CO)NCO 81ff67930a96f8f373a876534f5a354d [0,2,0,0,0,0|2,0,0]=4 1319 B8R0.15 O=C(O)C(CS)NCF d2bcc921a07d6c66ec8feced8008b3d2 [0,2,0,0,0,0|2,0,0]=4 1320 B8R0.15 O=C(O)C(CS)NCO b3a632b39e14452fb76e40a3b45f1330 [0,2,0,0,0,0|2,0,0]=4 1321 B8R0.15 O=C(O)[C@@H](CCl)NCF 0f4882ad0f84646d0776c613bf998da9 [0,2,0,0,0,0|2,0,0]=4 1322 B8R0.15 O=C(O)[C@@H](CCl)NCO a657e82377b90be09b01db5df6746084 [0,2,0,0,0,0|2,0,0]=4 1323 B8R0.15 O=C(O)[C@@H](CF)OCF 5ca8d51c8b5d5b379a86da0372761524 [0,2,0,0,0,0|2,0,0]=4 1324 B8R0.15 O=C(O)[C@@H](CO)NCF b58ae15b4649cf9eff033a92ba589b35 [0,2,0,0,0,0|2,0,0]=4 1325 B8R0.15 O=C(O)[C@@H](CO)NCO cfec0a60446fa32f24138a7f54bc9bb8 [0,2,0,0,0,0|2,0,0]=4 1326 B8R0.15 O=C(O)[C@@H](CS)NCF f755fd948c7a145e65bf11358747b457 [0,2,0,0,0,0|2,0,0]=4 1327 B8R0.15 O=C(O)[C@@H](CS)NCO 0f499f5952378dffba3785ff4ae4c019 [0,2,0,0,0,0|2,0,0]=4 1328 B8R0.15 O=C(O)[C@H](CCl)NCF 750706009ff6f282f1ca980848f7e16b [0,2,0,0,0,0|2,0,0]=4 1329 B8R0.15 O=C(O)[C@H](CCl)NCO 45f6f42413f314b49f1c79dfa3cea815 [0,2,0,0,0,0|2,0,0]=4 1330 B8R0.15 O=C(O)[C@H](CO)NCF e3967553d1a093cbd0dce0f9d6a1e608 [0,2,0,0,0,0|2,0,0]=4 1331 B8R0.15 O=C(O)[C@H](CO)NCO 08a1cdec07261d180e41b733dfd606d7 [0,2,0,0,0,0|2,0,0]=4 1332 B8R0.15 O=C(O)[C@H](CS)NCF acd5dd73331d3e22705923fab1a8feaf [0,2,0,0,0,0|2,0,0]=4 1333 B8R0.15 O=C(O)[C@H](CS)NCO 1ed62aac1780461a449b2c14b61eaf37 [0,2,0,0,0,0|2,0,0]=4 1334 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,2,0,0,0,0|2,0,0]=4 1335 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|2,0,0]=4 1336 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,1,0,1,0,0|2,0,0]=4 1337 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,1,0,1,0,0|2,0,0]=4 1338 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,1,0,1,0,0|2,0,0]=4 1339 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,1,0,1,0,0|2,0,0]=4 1340 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,1,0,1,0,0|2,0,0]=4 1341 B8R1.34 NC(=O)CN1CCC1 6c3508be38699fc0f43e1dd694ce2a15 [0,1,0,1,0,0|2,0,0]=4 1342 B8R1.34 O=C(O)CN1CCC1 ae8e836e7c2a4bf3a61b53e9068f6f2f [0,1,0,1,0,0|1,0,0]=3 1343 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,1,0,1,0,0|2,0,0]=4 1344 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,1,0,1,0,0|2,0,0]=4 1345 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,1,0,1,0,0|2,0,0]=4 1346 B8R1.6 O=C1CC(C1)OCF c33823c82929be54a27457e340273af2 [0,1,0,1,0,0|2,0,0]=4 1347 B8R1.35 CC(=O)CNC1CC1 bc0778517edf8997c2cb438d2c68c0b3 [0,1,0,1,0,0|2,0,0]=4 1348 B8R1.35 CC(=O)COC1CC1 609f3b6a39f515f0075f8f8591a3a733 [0,1,0,1,0,0|2,0,0]=4 1349 B8R1.35 CC(=O)NCC1CC1 a9186e5a31a6f613e1b56d3a88df1d54 [0,1,0,1,0,0|2,0,0]=4 1350 B8R1.35 NC(=O)CNC1CC1 a00288a750d00bc42baa6fd0a0cd1bb6 [0,1,0,1,0,0|2,0,0]=4 1351 B8R1.35 NC(=O)COC1CC1 d832967b8065c8155f8f7bfb171fc20f [0,1,0,1,0,0|2,0,0]=4 1352 B8R1.35 O=C(O)CNC1CC1 b2ef6ef58e3db3eafb40e50595acdfb4 [0,1,0,1,0,0|1,0,0]=3 1353 B8R1.35 O=C(O)COC1CC1 7246c239d90b158329e958bbc0895f52 [0,1,0,1,0,0|1,0,0]=3 1354 B8R1.35 O=S(O)COC1CC1 85bbc60ec3a8ee46735b8745b51b860d [0,1,0,1,0,0|2,0,0]=4