0 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [0,0,0,0,0,0|2,0,2]=4 7 B7R0.3 C=C(C#N)COCC 0c840f773075998533681b448d00e61c [0,0,0,0,0,0|4,0,0]=4 8 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,0,0,0,0,0|4,0,0]=4 9 B7R0.3 C=C(CNC#N)OC d6eb2dac09980e5fa7fc46fab00d6b72 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,0,0,0,0,0|2,0,1]=3 12 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,0,0,0,0,0|3,0,1]=4 13 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,0,0,0,0,0|3,0,1]=4 14 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,0,0,0,0,0|3,0,0]=3 18 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,0,0,0,0,0|3,0,0]=3 20 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,0,0,0,0,0|3,0,0]=3 22 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,0,0,0,0,0|3,0,0]=3 23 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,0,0,0,0,0|3,0,0]=3 24 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,0,0,0,0,0|4,0,0]=4 25 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [0,0,0,0,0,0|4,0,0]=4 27 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,0,0,0,0,0|4,0,0]=4 28 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,0,0,0,0,0|3,0,0]=3 29 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,0,0,0,0,0|2,0,0]=2 30 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,0,0,0,0,0|3,0,0]=3 31 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,0,0,0,0,0|3,0,0]=3 32 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,0,0,0,0,0|3,0,0]=3 33 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,0,0,0,0,0|3,0,1]=4 34 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,0,0,0,0,0|3,0,1]=4 35 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,0,0,0,0,0|3,0,1]=4 36 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,0,0,0,0,0|3,0,1]=4 37 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,0,0,0,0,0|3,0,1]=4 38 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,0,0,0,0,0|3,0,1]=4 39 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,0,0,0,0,0|4,0,0]=4 40 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,0,0,0,0,0|4,0,0]=4 41 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,0,0,0,0,0|4,0,0]=4 42 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,0,0,0,0,0|4,0,0]=4 43 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,0,0,0,0,0|4,0,0]=4 44 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,0,0,0,0,0|2,0,0]=2 45 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,0,0,0,0,0|3,0,0]=3 46 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,0,0,0,0,0|1,0,0]=1 47 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,0,0,0,0,0|3,0,1]=4 48 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,0,0,0,0,0|2,0,2]=4 49 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,0,0,0,0,0|3,0,1]=4 50 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,0,0,0,0,0|2,0,1]=3 51 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,0,0,0,0,0|2,0,1]=3 52 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,0,0,0,0,0|2,0,2]=4 53 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,0,0,0,0,0|4,0,0]=4 54 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,0,0,0,0,0|4,0,0]=4 55 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,0,0,0,0,0|2,0,0]=2 56 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,0,0,0,0,0|2,0,0]=2 57 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,0,0,0,0,0|1,0,0]=1 58 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,0,0,0,0,0|3,0,1]=4 59 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [0,0,0,0,0,0|4,0,0]=4 61 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,0,0,0,0,0|3,0,1]=4 62 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,0,0,0,0,0|2,0,1]=3 63 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,0,0,0,0,0|3,0,1]=4 64 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,0,0,0,0,0|2,0,1]=3 65 B7R0.3 CNC(=O)CNC#N 7ba4abe3fad3b11746e82f87bf46d0a1 [0,0,0,0,0,0|3,0,1]=4 66 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,0,0,0,0,0|3,0,1]=4 67 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,0,0,0,0,0|3,0,0]=3 68 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,0,0,0,0,0|3,0,0]=3 69 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,0,0,0,0,0|3,0,0]=3 70 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [0,0,0,0,0,0|2,0,1]=3 71 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,0,0,0,0,0|2,0,1]=3 72 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,0,0,0,0,0|2,0,0]=2 73 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,0,0,0,0,0|2,0,0]=2 74 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,0,0,0,0,0|2,0,0]=2 75 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,0,0,0,0,0|3,0,1]=4 76 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [0,0,0,0,0,0|3,0,1]=4 77 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,0,0,0,0,0|3,0,1]=4 78 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,0,0,0,0,0|3,0,1]=4 79 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [0,0,0,0,0,0|3,0,1]=4 80 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,0,0,0,0,0|3,0,1]=4 81 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,0,0,0,0,0|3,0,1]=4 82 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,0,0,0,0,0|4,0,0]=4 83 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,0,0,0,0,0|4,0,0]=4 84 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,0,0,0,0,0|4,0,0]=4 85 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,0,0,0,0,0|4,0,0]=4 86 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,0,0,0,0,0|4,0,0]=4 87 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [0,0,0,0,0,0|4,0,0]=4 88 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [0,0,0,0,0,0|4,0,0]=4 89 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,0,0,0,0,0|4,0,0]=4 90 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,0,0,0,0,0|4,0,0]=4 91 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,0,0,0,0,0|4,0,0]=4 92 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,0,0,0,0,0|4,0,0]=4 93 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,0,0,0,0,0|4,0,0]=4 94 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,0,0,0,0,0|4,0,0]=4 95 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,0,0,0,0,0|4,0,0]=4 96 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,0,0,0,0,0|4,0,0]=4 97 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,0,0,0,0,0|4,0,0]=4 98 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,0,0,0,0,0|4,0,0]=4 99 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,0,0,0,0,0|4,0,0]=4 100 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,0,0,0,0,0|4,0,0]=4 101 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,0,0,0,0,0|4,0,0]=4 102 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,0,0,0,0,0|4,0,0]=4 103 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,0,0,0,0,0|4,0,0]=4 104 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,0,0,0,0|3,0,0]=4 105 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [1,0,0,0,0,0|1,0,2]=4 106 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,0,0,0,0,0|2,0,1]=4 107 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,0,0,0,0,0|2,0,1]=4 108 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,0,0,0,0,0|2,0,0]=3 109 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [1,0,0,0,0,0|3,0,0]=4 110 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,0,0,0,0,0|3,0,0]=4 111 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,0,0,0,0|2,0,0]=3 112 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [1,0,0,0,0,0|3,0,0]=4 113 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,0,0,0,0,0|2,0,1]=4 114 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,0,0,0,0,0|2,0,1]=4 115 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,0,0,0,0,0|2,0,1]=4 116 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,0,0,0,0,0|2,0,1]=4 117 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,0,0,0,0,0|2,0,0]=3 118 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,0,0,0,0,0|2,0,0]=3 119 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,0,0,0,0,0|2,0,0]=3 120 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [1,0,0,0,0,0|2,0,1]=4 121 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,0,0,0,0,0|2,0,0]=3 122 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,0,0,0,0,0|2,0,0]=3 123 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,0,0,0,0,0|2,0,0]=3 124 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,0,0,0,0,0|2,0,0]=3 125 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,0,0,0,0,0|2,0,0]=3 126 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,0,0,0,0,0|1,0,0]=2 127 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,0,0,0,0,0|2,0,1]=4 128 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,0,0,0,0,0|2,0,1]=4 129 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,0,0,0,0,0|1,0,0]=2 130 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,0,0,0,0,0|2,0,0]=3 131 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,0,0,0,0,0|1,0,0]=2 132 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,0,0,0,0,0|2,0,1]=4 133 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,0,0,0,0|1,0,2]=4 134 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,0,0,0,0|1,0,2]=4 135 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,0,0,0,0|1,0,2]=4 136 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,0,0,0,0|1,0,0]=2 137 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,0,0,0,0,0|2,0,0]=3 138 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,0,0,0,0,0|1,0,0]=2 139 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [1,0,0,0,0,0|2,1,0]=4 140 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,0,0,0,0,0|2,0,1]=4 141 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,0,0,0,0,0|1,1,1]=4 143 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,0,0,0,0,0|2,0,0]=3 144 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,0,0,0,0,0|3,0,0]=4 148 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,0,0,0,0,0|3,0,0]=4 149 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,0,0,0,0,0|3,0,0]=4 150 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,0,0,0,0,0|2,0,0]=3 151 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [1,0,0,0,0,0|3,0,0]=4 154 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,0,0,0,0,0|2,0,0]=3 155 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,0,0,0,0,0|2,0,0]=3 157 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,0,0,0,0,0|3,0,0]=4 158 B6R0.6 CC#CCNCC a6f1b76f7ded3d3d75d35a122acc0b8f [1,0,0,0,0,0|2,0,1]=4 159 B6R0.6 CC#CCOCC 150599371f7a5020048fdfb73583470c [1,0,0,0,0,0|2,0,1]=4 160 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,0,0,0,0,0|2,0,0]=3 161 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,0,0,0,0,0|2,0,0]=3 164 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,0,0,0,0,0|3,0,0]=4 165 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [1,0,0,0,0,0|3,0,0]=4 166 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,0,0,0,0,0|3,0,0]=4 167 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|2,0,0]=3 168 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,0,0,0,0,0|3,0,0]=4 169 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|2,0,0]=3 171 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,0,0,0,0|3,0,0]=4 172 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,0,0,0,0,0|1,0,1]=3 174 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,0,0,0,0,0|1,1,1]=4 175 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,0,0,0,0|2,0,1]=4 176 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,0,0,0,0,0|1,0,1]=3 177 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,0,0,0,0,0|1,1,1]=4 178 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,0,0,0,0|3,0,0]=4 180 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,0,0,0,0,0|1,0,1]=3 181 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [1,0,0,0,0,0|2,0,1]=4 182 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,0,0,0,0,0|1,1,1]=4 183 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,0,0,0,0,0|3,0,0]=4 184 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,0,0,0,0,0|3,0,0]=4 185 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,0,0,0,0|3,0,0]=4 186 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,0,0,0,0|3,0,0]=4 187 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|1,0,1]=3 188 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|1,1,1]=4 189 B6R0.6 COCCNCF e77dc04900c9c99d5994a5d30132520a [1,0,0,0,0,0|2,0,1]=4 190 B6R0.6 COCCNCO aeefc508a99790e9ff885514143e167b [1,0,0,0,0,0|2,0,1]=4 191 B6R0.6 COCCOCF c6fb5a621cf5e8cd94e24b0621578457 [1,0,0,0,0,0|2,0,1]=4 192 B6R0.6 COCNCCBr cc0c7490b746ceca79f01407d355ea03 [1,0,0,0,0,0|2,0,1]=4 193 B6R0.6 COCNCCF 2f29adbcc69c16fb45653c78fbf21233 [1,0,0,0,0,0|2,0,1]=4 194 B6R0.6 COCNCCI 397b4e96463dc133fb2c78ebc9b4b8aa [1,0,0,0,0,0|2,0,1]=4 195 B6R0.6 COCNCCO d157601c59ef2c697e67935359e46769 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [1,0,0,0,0,0|2,0,1]=4 197 B6R0.6 COCOCCF 2e4d69c3ff16b703ccfaad8173ebee7c [1,0,0,0,0,0|2,0,1]=4 198 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [1,0,0,0,0,0|2,0,1]=4 199 B6R0.6 COCOCOC d3131f37af1710bbb3d5077bedf5507c [1,0,0,0,0,0|2,0,1]=4 200 B6R0.6 COCOCSC 260c220356aac0c84d20de9f8b1dabb1 [1,0,0,0,0,0|2,0,1]=4 201 B8R0.1 C#CCC(=O)NCCC 02e18d00f6cac127c3ba925ff7cc6fd1 [0,1,0,0,0,0|2,0,1]=4 202 B8R0.1 C#CCNC(=O)COC 0339c52ff36ce70a96ce9a88fff2f8c4 [0,1,0,0,0,0|1,0,2]=4 203 B8R0.1 C/C=C/C(=O)NCCBr 1a948754dff20d168e9361d04d66258d [0,1,0,0,0,0|3,0,0]=4 204 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.1 C/C=C/C(=O)NCCF f849769f8bdb582b93b497aea7baa092 [0,1,0,0,0,0|3,0,0]=4 206 B8R0.1 C/C=C/C(=O)NCCI 52e8106e222480d032713c2c859846aa [0,1,0,0,0,0|3,0,0]=4 207 B8R0.1 C/C=C/C(=O)NCCO a9d7e927df580e87cdbec0136302f443 [0,1,0,0,0,0|3,0,0]=4 208 B8R0.1 C/C=C/C(=O)NCCS 5eb021a8ec06b5b9d6208abe4a08327e [0,1,0,0,0,0|3,0,0]=4 209 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,1,0,0,0,0|2,0,1]=4 210 B8R0.1 CC#CC(=O)NCCBr 88fb977d43b76e3334f184344ba493ef [0,1,0,0,0,0|3,0,0]=4 211 B8R0.1 CC#CC(=O)NCCC f3929637650271102a5b6c505641e7e8 [0,1,0,0,0,0|2,0,0]=3 212 B8R0.1 CC#CC(=O)NCCF 1227adeb43ec7455199bd22620e5253c [0,1,0,0,0,0|3,0,0]=4 213 B8R0.1 CC#CC(=O)NCCI dbbc6bd9b3b670571c9a53642d339035 [0,1,0,0,0,0|3,0,0]=4 214 B8R0.1 CC#CC(=O)NCCO f885362aa6b004ac92e1add94f791e9e [0,1,0,0,0,0|3,0,0]=4 215 B8R0.1 CC#CC(=O)NCCS 40eb9ceaf9e9d627793690711560ba71 [0,1,0,0,0,0|3,0,0]=4 216 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,1,0,0,0,0|3,0,0]=4 217 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,1,0,0,0,0|3,0,0]=4 218 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,1,0,0,0,0|3,0,0]=4 219 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,1,0,0,0,0|3,0,0]=4 221 B8R0.1 CCCCC(=O)NC#N 2fe7c425eb1622681eebf36d3ea640ff [0,1,0,0,0,0|1,0,1]=3 222 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,1,0,0,0,0|2,0,1]=4 223 B8R0.1 CCCCC(C)NCF db34d3f788f978f6333b2ef84533bba3 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,0,0,0,0|1,0,1]=3 226 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,1,0,0,0,0|1,0,1]=3 227 B8R0.1 CCCCN(C)CCC 598958f1bf27154d8760346aca3fc1c7 [0,1,0,0,0,0|3,0,0]=4 228 B8R0.1 CCCCN(C)CCF dea221ed9395f7cb1e71d7be0afd021b [0,1,0,0,0,0|3,0,0]=4 229 B8R0.1 CCCCN(C)CCO d3a1d2ca604b1d792baba16d692e347d [0,1,0,0,0,0|3,0,0]=4 230 B8R0.1 CCCCN(C)CCS 3e265071a664b45e2ee59abc544de5e5 [0,1,0,0,0,0|3,0,0]=4 231 B8R0.1 CCCCN(C)COC 82c59ffeb372941e62ade16842f09aa1 [0,1,0,0,0,0|2,0,0]=3 232 B8R0.1 CCCCN(C)CSC 5fbed4fdfac4006dd6d43bf0d13197ea [0,1,0,0,0,0|2,1,0]=4 233 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,1,0,0,0,0|2,0,1]=4 234 B8R0.1 CCCC[C@@H](C)NCF 370b9a3d7cbc257e234752372becfe14 [0,1,0,0,0,0|2,0,1]=4 235 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,1,0,0,0,0|2,0,1]=4 236 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,0,0,0,0|1,0,1]=3 237 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,1,0,0,0,0|1,0,1]=3 238 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,0,0,0,0|1,0,1]=3 239 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,1,0,0,0,0|1,0,1]=3 240 B8R0.1 CCCNC(=O)/C=C/Br b1926545c958d5233a97eecf45ef793e [0,1,0,0,0,0|2,0,1]=4 241 B8R0.1 CCCNC(=O)/C=C/Cl 5d162a53ee9ec44c434e097fbf07a78f [0,1,0,0,0,0|2,0,1]=4 242 B8R0.1 CCCNC(=O)/C=C/I 3483980bedd76cbe76739ba0675640bc [0,1,0,0,0,0|2,0,1]=4 243 B8R0.1 CCCNC(=O)/C=C\Br 587063f23ad9d4c3a5d091f654b1750d [0,1,0,0,0,0|2,0,1]=4 244 B8R0.1 CCCNC(=O)/C=C\Cl 80de1f593bb86fc7c7361689ff20ca17 [0,1,0,0,0,0|2,0,1]=4 245 B8R0.1 CCCNC(=O)/C=C\I 30402a319b6c1a883b3206c216549b42 [0,1,0,0,0,0|2,0,1]=4 246 B8R0.1 CCCNC(=O)C#CBr c870aa8bcaa9c74afac7e765262d412d [0,1,0,0,0,0|2,0,1]=4 247 B8R0.1 CCCNC(=O)C=CBr 9a0fc142e13566664539b9eb458de53b [0,1,0,0,0,0|2,0,1]=4 248 B8R0.1 CCCNC(=O)C=CI 68a3e0e9c9707da402b670771198154c [0,1,0,0,0,0|2,0,1]=4 249 B8R0.1 CCCNC(=O)CC#N a35df4e334c2327f92e0bafe31098739 [0,1,0,0,0,0|2,0,1]=4 250 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,1,0,0,0,0|2,0,1]=4 251 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,1,0,0,0,0|2,0,0]=3 252 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,1,0,0,0,0|2,0,0]=3 253 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,1,0,0,0,0|2,0,0]=3 254 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,1,0,0,0,0|2,0,0]=3 255 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,1,0,0,0,0|1,0,0]=2 256 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,1,0,0,0,0|2,0,0]=3 257 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,1,0,0,0,0|1,1,0]=3 258 B8R0.1 CCCNC(=O)NC#N 27ed8603a99c17a3d820a7b56b6ed318 [0,1,0,0,0,0|2,0,1]=4 259 B8R0.1 CCCNC(C)COC 4346ed93e9ed26ed30cbd2c33a1a3971 [0,1,0,0,0,0|2,0,1]=4 260 B8R0.1 CCCN[C@@H](C)COC c1bfae4cdff368ae020ea427a86f20a2 [0,1,0,0,0,0|2,0,1]=4 261 B8R0.1 CCCN[C@H](C)COC db62694081776beb55a87c04a01b7e4c [0,1,0,0,0,0|2,0,1]=4 262 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,1,0,0,0,0|2,1,0]=4 263 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,1,0,0,0,0|2,0,1]=4 264 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,1,0,0,0,0|2,0,1]=4 265 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,1,0,0,0,0|2,0,1]=4 266 B8R0.1 CCNC(=O)CNCF 00b80b6827b81d8895e54234ac75d43c [0,1,0,0,0,0|3,0,0]=4 267 B8R0.1 CCNC(=O)CNCO ce3cba50f7ed87e7409428e42c23fd71 [0,1,0,0,0,0|3,0,0]=4 268 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,1,0,0,0,0|2,0,0]=3 269 B8R0.1 CCNC(=O)COCF 07accf9dfadaaccc536f5c34a66ac1b1 [0,1,0,0,0,0|3,0,0]=4 270 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,1,0,0,0,0|2,0,0]=3 271 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,1,0,0,0,0|1,0,0]=2 272 B8R0.1 CCNCC(C)OCC eada9db090733897974960683afe5496 [0,1,0,0,0,0|2,0,1]=4 273 B8R0.1 CCNCC(O)COC f6b0536e22df73e563264ad1928c3a48 [0,1,0,0,0,0|1,0,2]=4 274 B8R0.1 CCNC[C@H](O)COC 5c0728270cf850017ded59cb547c9167 [0,1,0,0,0,0|1,0,2]=4 275 B8R0.1 CCOC(=O)CNC#N 5d84038a545807021d0d5d796040f780 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,1,0,0,0,0|2,0,0]=3 278 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,1,0,0,0,0|2,0,0]=3 279 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,1,0,0,0,0|2,0,0]=3 280 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,1,0,0,0,0|2,0,1]=4 281 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,1,0,0,0,0|2,0,1]=4 282 B8R0.1 CCOCC(=O)NC#N b14d7678dab8d31dfd317a29925c01b8 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,1,0,0,0,0|1,0,0]=2 284 B8R0.1 CCOCC(C)OCC 20a9fb9f86ef4d51ef11c7f7a467151a [0,1,0,0,0,0|2,0,1]=4 285 B8R0.1 CCOCC(C)OCF bcb6d4f0696d0db17649578eada29ff8 [0,1,0,0,0,0|2,0,1]=4 286 B8R0.1 CCSCC(=O)NC#N 0f21ec1e57519d161a741bee2fc49ed9 [0,1,0,0,0,0|2,0,1]=4 287 B8R0.1 COCC(=O)CNC#N 3b88c69df65aae2aef2104252f95eee8 [0,1,0,0,0,0|2,0,1]=4 288 B8R0.1 COCC(=O)NCC#N b9b1e25677cd4c9f33e77a62bc136b71 [0,1,0,0,0,0|2,0,1]=4 289 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,1,0,0,0,0|2,0,0]=3 290 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,1,0,0,0,0|2,0,0]=3 291 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,1,0,0,0,0|2,0,0]=3 292 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,1,0,0,0,0|2,0,0]=3 293 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,1,0,0,0,0|2,0,0]=3 294 B8R0.1 COCCC(=O)NC#N 0164696a986e1f0378c0b9e07c237c02 [0,1,0,0,0,0|2,0,1]=4 295 B8R0.1 COCCC(C)OCF 1c24462098656029d24876204a2cded4 [0,1,0,0,0,0|2,0,1]=4 296 B8R0.1 COCCN(C)COC 988caaf7b0acbc240227baa170a3504a [0,1,0,0,0,0|3,0,0]=4 297 B8R0.1 COCN(C)CCCO 56bf23a0f821c588da38c52571d1a699 [0,1,0,0,0,0|3,0,0]=4 298 B8R0.1 COCN(C)CCSC 602ce5b7bc7a225ea70b75ddd3304e98 [0,1,0,0,0,0|3,0,0]=4 299 B8R0.1 CSCC(=O)NCCBr 98705a0f39eb077061bcbd29b0672e6a [0,1,0,0,0,0|2,1,0]=4 300 B8R0.1 CSCC(=O)NCCF dfda28d66fa36cfb5ce50a1350224197 [0,1,0,0,0,0|2,1,0]=4 301 B8R0.1 CSCC(=O)NCCI 7bfc8d164efaef654c34edd5d1d07835 [0,1,0,0,0,0|2,1,0]=4 302 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,1,0,0,0,0|2,1,0]=4 303 B8R0.1 CSCC(=O)NCCS 0c7243c53eb1aa5322c2775032ee2b33 [0,1,0,0,0,0|2,1,0]=4 304 B8R0.1 CSCCC(=O)NC#N aef0d4e74706fd59073e203e77c34320 [0,1,0,0,0,0|2,0,1]=4 305 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,1,0,0,0,0|2,0,1]=4 306 B8R0.1 N#CNC(=O)CCCF 62bfd5667a86cf008f3e5a7a3dced5f3 [0,1,0,0,0,0|2,0,1]=4 307 B8R0.1 N#CNC(=O)CCCS 97d957bc025416f4428f830074eec472 [0,1,0,0,0,0|2,0,1]=4 308 B8R0.1 NOCC(=O)NCCBr c0babb816ff6ad071d50637a90f5b53a [0,1,0,0,0,0|3,0,0]=4 309 B8R0.1 NOCC(=O)NCCF 9e810ff41c2108c50e8d8b1b8bd5f2d7 [0,1,0,0,0,0|3,0,0]=4 310 B8R0.1 NOCC(=O)NCCI 1fcbed4147de39f8976794c95925d11c [0,1,0,0,0,0|3,0,0]=4 311 B8R0.1 NOCC(=O)NCCO fd618ddcd2c6c81b594a362cc110fd22 [0,1,0,0,0,0|3,0,0]=4 312 B8R0.1 NOCC(=O)NCCS 18d27bf78c6e7759f1c46eb3797eeb7e [0,1,0,0,0,0|3,0,0]=4 313 B8R0.1 O=C(CCF)NCCBr 4e6a83a04fff0ae2002d06f5532a71cf [0,1,0,0,0,0|3,0,0]=4 314 B8R0.1 O=C(CCF)NCCF 3ee47b2b4a969933bf6a2b7769d886d8 [0,1,0,0,0,0|3,0,0]=4 315 B8R0.1 O=C(CCF)NCCI 0514d32be9a459d35ff2d3dd8e59c8c1 [0,1,0,0,0,0|3,0,0]=4 316 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,1,0,0,0,0|3,0,0]=4 317 B8R0.1 O=C(CCF)NCCS cc499bcf14cc4ef20c4a540fd4249535 [0,1,0,0,0,0|3,0,0]=4 318 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,1,0,0,0,0|3,0,0]=4 319 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,1,0,0,0,0|3,0,0]=4 320 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,1,0,0,0,0|3,0,0]=4 321 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,1,0,0,0,0|3,0,0]=4 322 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,1,0,0,0,0|3,0,0]=4 323 B8R0.1 O=C(CCS)NCCBr 0eb47b0aecf2287af30d9b3e94e8bc58 [0,1,0,0,0,0|3,0,0]=4 324 B8R0.1 O=C(CCS)NCCF b7e186cad638003cfed1aa574b20f812 [0,1,0,0,0,0|3,0,0]=4 325 B8R0.1 O=C(CCS)NCCI 56f9d8039c6ce5f07f13c307d4e588bf [0,1,0,0,0,0|3,0,0]=4 326 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,1,0,0,0,0|3,0,0]=4 327 B8R0.1 O=C(CCS)NCCS a425fac0fa57c463ae17426b0d0c8bcc [0,1,0,0,0,0|3,0,0]=4 328 B8R0.3 C#CC(=O)N(C)CCC e31f79932e58626d6b59443bb0ca318b [0,1,0,0,0,0|2,0,1]=4 329 B8R0.3 C=CC(=O)N(C)CCC f05c81ec6e4b8b88c210d66f3d63ec26 [0,1,0,0,0,0|2,0,1]=4 330 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,1,0,0,0,0|3,0,0]=4 331 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,1,0,0,0,0|3,0,0]=4 332 B8R0.3 CCCC(C)N(C)CC 6499897a93030fa97deb05cc92a0b8e3 [0,1,0,0,0,0|3,0,0]=4 333 B8R0.3 CCCN(C)C(=O)C=O ae9046810fc57b836f1225fb4fa409a0 [0,1,0,0,0,0|3,0,0]=4 334 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,1,0,0,0,0|2,0,0]=3 335 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,1,0,0,0,0|3,0,0]=4 336 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,1,0,0,0,0|3,0,0]=4 337 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,1,0,0,0,0|3,0,0]=4 338 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,1,0,0,0,0|2,0,0]=3 339 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,1,0,0,0,0|1,0,0]=2 340 B8R0.3 CCOC(C)C(C)OC 9c4f80364c61bd6b6d6dccb09e64f357 [0,1,0,0,0,0|2,0,1]=4 341 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,1,0,0,0,0|1,0,0]=2 342 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,1,0,0,0,0|1,0,0]=2 343 B8R0.3 CNC(=O)C(C)NCF 36961f48791e8b3196a594acce9c8e8a [0,1,0,0,0,0|3,0,0]=4 344 B8R0.3 CNC(=O)C(C)NCO a34e41a62dab697e3cedeec3c087b7b0 [0,1,0,0,0,0|3,0,0]=4 345 B8R0.3 COC(=O)C(C)NC#N 0da26f030d7cbb617c3d102fad361d22 [0,1,0,0,0,0|2,0,1]=4 346 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,1,0,0,0,0|2,0,0]=3 347 B8R0.3 COC(=O)[C@@H](C)NC#N c796307ff0b9ba8fc5b9db354520dce4 [0,1,0,0,0,0|2,0,1]=4 348 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,1,0,0,0,0|2,0,0]=3 349 B8R0.3 COC(=O)[C@H](C)NC#N 33f198992691a24d8b15f51815640099 [0,1,0,0,0,0|2,0,1]=4 350 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,1,0,0,0,0|2,0,0]=3 351 B8R0.6 C#CC(=O)NCCCC 7b05ebf03d7d7168df7348c28a985d62 [0,1,0,0,0,0|1,0,1]=3 352 B8R0.6 C#CC(=O)NCCCCl 1e6f7ab06ab7dcf88ea4205ff8340824 [0,1,0,0,0,0|2,0,1]=4 353 B8R0.6 C#CC(=O)NCCCO 12d57d1037b70231cb0862460a64755d [0,1,0,0,0,0|2,0,1]=4 354 B8R0.6 C#CC(=O)NCCOC 27d5f534cf46c1b30aac020f37738689 [0,1,0,0,0,0|2,0,1]=4 355 B8R0.6 C#CC(=O)NCCSC 1d2889159a53b2ae0146f8d2c63c8c49 [0,1,0,0,0,0|2,0,1]=4 356 B8R0.6 C#CCCNC(=O)CC 675df9b37ab5c9ee6d5c9db4e0b3cee9 [0,1,0,0,0,0|1,0,2]=4 357 B8R0.6 C#CCNCC(=C)OC 7bb6e3ec06a323360f1936227e96623a [0,1,0,0,0,0|1,0,2]=4 358 B8R0.6 C#CCNCC(=O)CC c306a58106d871d66f9632f16da5a734 [0,1,0,0,0,0|1,0,2]=4 359 B8R0.6 C#CCNCC(=O)NC 0734edd1a455cb52847005383d65287a [0,1,0,0,0,0|1,0,2]=4 360 B8R0.6 C#CCNCC(=O)OC 45a330447218442f782052439de91cbb [0,1,0,0,0,0|0,0,2]=3 361 B8R0.6 C#CCOCC(=C)OC 0f84e70b3f47c50d1587c61f9019e2bb [0,1,0,0,0,0|1,0,2]=4 362 B8R0.6 C#CCOCC(=O)CC 432ed08c7ed6528d6b4d9248e66c13d7 [0,1,0,0,0,0|1,0,2]=4 363 B8R0.6 C#CCOCC(=O)NC c431f788de734fb576e66eb9c43d15bd [0,1,0,0,0,0|1,0,2]=4 364 B8R0.6 C#CCOCC(=O)OC 1936252f7aa08c2478ab6a51c2564247 [0,1,0,0,0,0|0,0,2]=3 365 B8R0.6 C=C(C#N)CNCCC 6f0a9e6523e92673194892ef08de17fb [0,1,0,0,0,0|3,0,0]=4 366 B8R0.6 C=C(C#N)COCCC 2c67684a3c90ed3f20287957e9f99586 [0,1,0,0,0,0|3,0,0]=4 367 B8R0.6 C=C(C=O)OCCCC 6ce71ca855175b3f8b8b50951f61cb4c [0,1,0,0,0,0|3,0,0]=4 368 B8R0.6 C=C(CC)CNCCBr 2997f31300e075e12280de78a538d6f2 [0,1,0,0,0,0|3,0,0]=4 369 B8R0.6 C=C(CC)CNCCC 13f11be9634d172790672a2fd9a9840c [0,1,0,0,0,0|2,0,0]=3 370 B8R0.6 C=C(CC)CNCCF 85aeaea14bf77498afd0be50514993fb [0,1,0,0,0,0|3,0,0]=4 371 B8R0.6 C=C(CC)CNCCI 9c0b35da1e0c58b009e99741b9bb42bf [0,1,0,0,0,0|3,0,0]=4 372 B8R0.6 C=C(CC)CNCCO 223a30784a1107a501d92d7e0122084b [0,1,0,0,0,0|3,0,0]=4 373 B8R0.6 C=C(CC)CNCCS 1b35fc01c4a35914bb8ff69eeb12966e [0,1,0,0,0,0|3,0,0]=4 374 B8R0.6 C=C(CC)COCCC 9a03753bc1b5bbc7ba706f1688ccd4c0 [0,1,0,0,0,0|2,0,0]=3 375 B8R0.6 C=C(CC)COCCF e29bcc08014545601ec41df77fd3afb1 [0,1,0,0,0,0|3,0,0]=4 376 B8R0.6 C=C(CC)COCCS 1954896189fc03c4d7a15c9e17b08731 [0,1,0,0,0,0|3,0,0]=4 377 B8R0.6 C=C(CC)COCOC 8620d2b3e026d934a9f25c9b8e5eed2b [0,1,0,0,0,0|3,0,0]=4 378 B8R0.6 C=C(CNCC#N)OC f7eaa19edebb5345654ebb5f79ad32a9 [0,1,0,0,0,0|2,0,1]=4 379 B8R0.6 C=C(CNCCBr)OC efbac263e7650d3962d08edf3ce114db [0,1,0,0,0,0|2,0,0]=3 380 B8R0.6 C=C(CNCCC)OC 087b8e9db7c5cf69f544a95d2e04b5df [0,1,0,0,0,0|1,0,0]=2 381 B8R0.6 C=C(CNCCF)OC 0e8256fb644c0f85910115699008ab8e [0,1,0,0,0,0|2,0,0]=3 382 B8R0.6 C=C(CNCCI)OC fcef31f506379ae7bbc30bf7d4c63099 [0,1,0,0,0,0|2,0,0]=3 383 B8R0.6 C=C(CNCCO)OC 134961a9d4e5df4956eb4f36508e1326 [0,1,0,0,0,0|2,0,0]=3 384 B8R0.6 C=C(CNCCS)OC ce06596f455c7bf3f5895fe9ae52a28f [0,1,0,0,0,0|2,0,0]=3 385 B8R0.6 C=C(CO)CNCCC 1a3d72efe9d3ce84e285b2c8b91ed59f [0,1,0,0,0,0|3,0,0]=4 386 B8R0.6 C=C(COCC#N)OC fc2d8aaf7e78208e2c57e9bc02a2b0e6 [0,1,0,0,0,0|2,0,1]=4 387 B8R0.6 C=C(COCCC)OC 35a576a479e84b27dbf4c71b4925086f [0,1,0,0,0,0|1,0,0]=2 388 B8R0.6 C=C(COCCF)OC 781881c77dd820871f857506616f3c75 [0,1,0,0,0,0|2,0,0]=3 389 B8R0.6 C=C(COCCS)OC 4d7d697d0d7ec1ce88163ba6265f360d [0,1,0,0,0,0|2,0,0]=3 390 B8R0.6 C=C(COCOC)OC ecada7a2d0836d223f9478db3a9a4d4b [0,1,0,0,0,0|2,0,0]=3 391 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,1,0,0,0,0|1,0,1]=3 392 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,1,0,0,0,0|2,0,1]=4 393 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,1,0,0,0,0|2,0,1]=4 394 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,1,0,0,0,0|2,0,1]=4 395 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,1,0,0,0,0|2,0,1]=4 396 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,1,0,0,0,0|2,0,1]=4 397 B8R0.6 C=CCCNC(=O)CC ff184ef1399f6dc8c7e919b7f0c5c0dc [0,1,0,0,0,0|1,0,2]=4 398 B8R0.6 C=CCNCC(=O)NC f548b9ed621af83174e69d5d65b71e11 [0,1,0,0,0,0|1,0,2]=4 399 B8R0.6 C=CCNCC(=O)OC 149a449e2131ace3a8ad23121b53b8be [0,1,0,0,0,0|0,0,2]=3 400 B8R0.6 C=CCOCC(=O)CC 048d3235ebc96f1d1022e6a0b9b0b262 [0,1,0,0,0,0|1,0,2]=4 401 B8R0.6 C=CCOCC(=O)NC 78ae20439406612f9980a44f6c28e411 [0,1,0,0,0,0|1,0,2]=4 402 B8R0.6 C=CCOCC(=O)OC 4af7941697fe7abf28d3bb985f3618ec [0,1,0,0,0,0|0,0,2]=3 403 B8R0.6 CC#CCNC(=O)CC 6d9ddda364502c2ffe7bd0b913f40e69 [0,1,0,0,0,0|1,0,2]=4 404 B8R0.6 CC=CCNC(=O)CC 0567aadeecba276bde20c091c56d95d3 [0,1,0,0,0,0|1,0,2]=4 405 B8R0.6 CCC(=O)CNCC#N cd2d4ac86eb31d1927746a139e109e79 [0,1,0,0,0,0|2,0,1]=4 406 B8R0.6 CCC(=O)CNCCBr 4ae86c97534187fa67e366dfd1eebd3b [0,1,0,0,0,0|2,0,0]=3 407 B8R0.6 CCC(=O)CNCCF 0bc469d08994cf5b5fbc36250b4ccf28 [0,1,0,0,0,0|2,0,0]=3 408 B8R0.6 CCC(=O)CNCCI 652e280753f4ad7ee550469669c66e91 [0,1,0,0,0,0|2,0,0]=3 409 B8R0.6 CCC(=O)CNCCO c42e5d5f257b37e8ba7acbbae4993f31 [0,1,0,0,0,0|2,0,0]=3 410 B8R0.6 CCC(=O)CNCCS 5d6e1d449d9df5ddcd81a9e54a1f9bcc [0,1,0,0,0,0|2,0,0]=3 411 B8R0.6 CCC(=O)COCC#N df5b26610d1a9f1f635c4ac5e628d5dd [0,1,0,0,0,0|2,0,1]=4 412 B8R0.6 CCC(=O)COCC=O 7cd085a6fb80112ec425ed1d474b4c25 [0,1,0,0,0,0|2,0,1]=4 413 B8R0.6 CCC(=O)COCCF 42452841604a6e08503574a608b88150 [0,1,0,0,0,0|2,0,0]=3 414 B8R0.6 CCC(=O)COCCS 361d7f9395122f7ce5b0a13a0b0a8b7e [0,1,0,0,0,0|2,0,0]=3 415 B8R0.6 CCC(=O)COCOC 2080604d4fba0b9d8e850f3f84775a84 [0,1,0,0,0,0|2,0,0]=3 416 B8R0.6 CCC(=O)COCSC 20ce94165e7ab9ceae1e7c23a6d6840a [0,1,0,0,0,0|2,0,0]=3 417 B8R0.6 CCC(=O)NCCC#N 48cc6a86c0c6f5553ba199e61ccae9bf [0,1,0,0,0,0|2,0,1]=4 418 B8R0.6 CCC(=O)NCCCCl 8c01153ec31ae9cc62389708147e768e [0,1,0,0,0,0|2,0,0]=3 419 B8R0.6 CCC(=O)NCCCO f98fa75986b7788f9e80577d0f4b70ab [0,1,0,0,0,0|2,0,0]=3 420 B8R0.6 CCC(=O)NCCOC 23e877e020a2c5b2736fc6a95b7c4f02 [0,1,0,0,0,0|2,0,0]=3 421 B8R0.6 CCC(=O)NCCON 5aa4ed8a34147e98db8513bba6021eb1 [0,1,0,0,0,0|3,0,0]=4 422 B8R0.6 CCC(=O)NCCSC c0f9bf4f85b22a82daaa8b7807daec1c [0,1,0,0,0,0|2,0,0]=3 423 B8R0.6 CCCCCN(C)CC 9518c2300d9243488291f90365ee6acc [0,1,0,0,0,0|3,0,0]=4 424 B8R0.6 CCCCNC(=O)C=O f208026ec74ccdc3b90201942951f82d [0,1,0,0,0,0|2,0,0]=3 425 B8R0.6 CCCCNC(=O)CC 285e0c69f0d3b13983c95eed26c8d721 [0,1,0,0,0,0|1,0,0]=2 426 B8R0.6 CCCCNC(=O)CF ccc4967a8e0a27400c7d0139924f7409 [0,1,0,0,0,0|2,0,0]=3 427 B8R0.6 CCCCNC(=O)CO a7ebdf854bf2900347fbb690e8e35978 [0,1,0,0,0,0|2,0,0]=3 428 B8R0.6 CCCCNC(=O)CS c89622d02eae8eb9fb1a47fc8bb6fb10 [0,1,0,0,0,0|2,0,0]=3 429 B8R0.6 CCCCNC(C)CC 2d727d0865e21d5f41a267ce6ca08059 [0,1,0,0,0,0|2,0,1]=4 430 B8R0.6 CCCCN[C@@H](C)CC a2ad9889b2a85548549a6f2a7991a4fa [0,1,0,0,0,0|2,0,1]=4 431 B8R0.6 CCCCN[C@H](C)CC 3ba343d5b09052d6e4ca4f315fa7a56a [0,1,0,0,0,0|2,0,1]=4 432 B8R0.6 CCCCOC(C)CC 7b743840237d8f1167e2a19145e2bb11 [0,1,0,0,0,0|2,0,1]=4 433 B8R0.6 CCCCO[C@@H](C)CC 0568b6feb97809cefc1cbb08ceebedee [0,1,0,0,0,0|2,0,1]=4 434 B8R0.6 CCCCO[C@H](C)CC 62d88e9696eb4ecbfe2b32e610c029fe [0,1,0,0,0,0|2,0,1]=4 435 B8R0.6 CCCNC/C(=C/Cl)/Cl f1f7c339e4b876083db2ade75f21e5c2 [0,1,0,0,0,0|3,0,0]=4 436 B8R0.6 CCCNCC(=O)CC 5f434fb49a11666bfc9ba500f0cbcfca [0,1,0,0,0,0|1,0,0]=2 437 B8R0.6 CCCNCC(=O)CO c0d2ea34a02dfba5aebbad6447271711 [0,1,0,0,0,0|2,0,0]=3 438 B8R0.6 CCCNCC(=O)NC eb0d012f1c9ad7dec4f4287f037196b3 [0,1,0,0,0,0|1,0,0]=2 439 B8R0.6 CCCNCC(=O)NO ef6f70702891ae45e4d4bb0573b2f089 [0,1,0,0,0,0|2,0,0]=3 440 B8R0.6 CCCNCC(=O)OC 3b0745436e6aac5047a752faa3629f9d [0,1,0,0,0,0|0,0,0]=1 441 B8R0.6 CCCNCC(C)CC dfac60b2da2755308d3835afbc0d45f5 [0,1,0,0,0,0|2,0,1]=4 442 B8R0.6 CCCNCC(C)OC bd6716a4c02dbafa7f9c481c37c944c0 [0,1,0,0,0,0|1,0,1]=3 443 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,1,0,0,0,0|1,0,2]=4 444 B8R0.6 CCCNC[C@@H](C)CC 73078e899264ad747d5de555aa4e0e85 [0,1,0,0,0,0|2,0,1]=4 445 B8R0.6 CCCNC[C@@H](C)OC 712811cbf0634af356bd0b3d815e320d [0,1,0,0,0,0|1,0,1]=3 446 B8R0.6 CCCNC[C@H](C)CC eb45f8e833f0797e2ccdb45de94e8f7b [0,1,0,0,0,0|2,0,1]=4 447 B8R0.6 CCCNC[C@H](C)OC 4d27d55773d254ee8a45a0433e267214 [0,1,0,0,0,0|1,0,1]=3 448 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,1,0,0,0,0|1,0,2]=4 449 B8R0.6 CCCOC/C(=C/Cl)/Cl a465139a0b7ab6d0987e779c3247a97c [0,1,0,0,0,0|3,0,0]=4 450 B8R0.6 CCCOC/C(=C/I)/C dc8f9e85d6578ff08977a63eedf944cc [0,1,0,0,0,0|3,0,0]=4 451 B8R0.6 CCCOCC(=CI)C b3b55d96dd2a298243d83d73d18b42c8 [0,1,0,0,0,0|3,0,0]=4 452 B8R0.6 CCCOCC(=O)CC 3f397a74b90866b03f1163a524097d68 [0,1,0,0,0,0|1,0,0]=2 453 B8R0.6 CCCOCC(=O)NC 58f4813a2cc9a1be45793f06ebe468ea [0,1,0,0,0,0|1,0,0]=2 454 B8R0.6 CCCOCC(=O)OC c6e77fb768013ea608698b73991c1be0 [0,1,0,0,0,0|0,0,0]=1 455 B8R0.6 CCCOCC(C)CC 8336a8fc5b3ea2d1a4239fcc430df35e [0,1,0,0,0,0|2,0,1]=4 456 B8R0.6 CCCOCC(C)OC 86e432709025d8d66d578a47ae11b938 [0,1,0,0,0,0|1,0,1]=3 457 B8R0.6 CCCOC[C@@H](C)CC c84fe828e09e77472347432e2d809559 [0,1,0,0,0,0|2,0,1]=4 458 B8R0.6 CCCOC[C@@H](C)OC 1926133421e267d531d7481f3e43e385 [0,1,0,0,0,0|1,0,1]=3 459 B8R0.6 CCCOC[C@H](C)CC a570cde5a141abc9ae194e132ed8fa20 [0,1,0,0,0,0|2,0,1]=4 460 B8R0.6 CCCOC[C@H](C)OC 932ff7b543b44a4374b83d4adcb8d986 [0,1,0,0,0,0|1,0,1]=3 461 B8R0.6 CCN(C)CCCCF 9cba963fe29e0e981772352c51d7f232 [0,1,0,0,0,0|3,0,0]=4 462 B8R0.6 CCN(C)CCCCO ef06c44e12b4087385bee7efb58bc669 [0,1,0,0,0,0|3,0,0]=4 463 B8R0.6 CCN(C)CCCOC 9daef8ee27bac836bae693fac9c07495 [0,1,0,0,0,0|3,0,0]=4 464 B8R0.6 CCN(C)CCCSC 730187a2113fbfde3873dca10ec6b3c0 [0,1,0,0,0,0|3,0,0]=4 465 B8R0.6 CCNCCC(=O)NC 1e9b17ee02ba0e5b6aaaa347b3dcbe57 [0,1,0,0,0,0|1,0,0]=2 466 B8R0.6 CCNCCC(=O)NO 160d8ac572661099c06b72037ca2e0ea [0,1,0,0,0,0|2,0,0]=3 467 B8R0.6 CCNCCC(=O)OC bbd99f235af5ec44deb263c1fbced8c5 [0,1,0,0,0,0|0,0,0]=1 468 B8R0.6 CCNCCC(C)CC 7d7a35762e8ac86a31a49df307629678 [0,1,0,0,0,0|2,0,1]=4 469 B8R0.6 CCOCCC(=O)NC 04f56cfd8d6885a7e2cb20782e900533 [0,1,0,0,0,0|1,0,0]=2 470 B8R0.6 CCOCCC(=O)OC 6c8ac8346f4b448f7b384f7ba30dc419 [0,1,0,0,0,0|0,0,0]=1 471 B8R0.6 CCOCCC(C)CC 0554257e939379702c3853cde29331cf [0,1,0,0,0,0|2,0,1]=4 472 B8R0.6 CCOCCC(C)OC aca392573287df7e0b1f4fb0d4e1cdef [0,1,0,0,0,0|1,0,1]=3 473 B8R0.6 CCOCCC(S)CC b96bbf1eb0d6bf468c99e0b8751c21b4 [0,1,0,0,0,0|1,1,1]=4 474 B8R0.6 CCOCCN(C)CC 5ffc8bba3835a9b9f54e3085f5b172e3 [0,1,0,0,0,0|3,0,0]=4 475 B8R0.6 CCOCC[C@@H](C)CC 6ed2f49f8ab9032ae166b1c906dbc07b [0,1,0,0,0,0|2,0,1]=4 476 B8R0.6 CCSCCN(C)CC 077f8ad0cd3fd5bb632eef062cc525ef [0,1,0,0,0,0|3,0,0]=4 477 B8R0.6 CNC(=O)CCNC#N 9df6bde8ff5527a9a9b73672aa2859de [0,1,0,0,0,0|2,0,1]=4 478 B8R0.6 CNC(=O)CCNC=O 0287357d6b05e381fe3090944ec763f1 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.6 CNC(=O)CCNCF 7d032297ec7b15962e82d70691941148 [0,1,0,0,0,0|2,0,0]=3 480 B8R0.6 CNC(=O)CCNCO f9748f0c4978ae72b7a558591315c7a3 [0,1,0,0,0,0|2,0,0]=3 481 B8R0.6 CNC(=O)CCOCF d44958e5865e9e15b8b4578e30ceba1f [0,1,0,0,0,0|2,0,0]=3 482 B8R0.6 CNC(=O)CNCC#N 995edbbfaf01ad1a0a32b6c67bcaab1a [0,1,0,0,0,0|2,0,1]=4 483 B8R0.6 CNC(=O)CNCC=O cfe6c3d1fbc6a8a471727a0cb22b0fb6 [0,1,0,0,0,0|2,0,1]=4 484 B8R0.6 CNC(=O)CNCCBr 6c7bbb2b8e2277851a9c4b1ee98b855e [0,1,0,0,0,0|2,0,0]=3 485 B8R0.6 CNC(=O)CNCCF ad7e29831d5186eb0f908b77a11c392c [0,1,0,0,0,0|2,0,0]=3 486 B8R0.6 CNC(=O)CNCCI e2ceae3c2127a1926854bc9548bd60de [0,1,0,0,0,0|2,0,0]=3 487 B8R0.6 CNC(=O)CNCCO 6524c53498939c1e86b45867695a7210 [0,1,0,0,0,0|2,0,0]=3 488 B8R0.6 CNC(=O)CNCCS 910fb23341c3da7d5e154bf7558a8aca [0,1,0,0,0,0|2,0,0]=3 489 B8R0.6 CNC(=O)CNCOC 8847ec992234bab2b496b10120a2af91 [0,1,0,0,0,0|2,0,0]=3 490 B8R0.6 CNC(=O)CNCSC 885b3d7715d4a99b7fd1330a008578d3 [0,1,0,0,0,0|2,0,0]=3 491 B8R0.6 CNC(=O)COCC#N b0d1e0c2d2fe987e58b15aa862461a14 [0,1,0,0,0,0|2,0,1]=4 492 B8R0.6 CNC(=O)COCC=O 8efd894a0631a7157c9af1a4a1868776 [0,1,0,0,0,0|2,0,1]=4 493 B8R0.6 CNC(=O)COCCF 12ab537cbcf65659b34d887d9c7fb928 [0,1,0,0,0,0|2,0,0]=3 494 B8R0.6 CNC(=O)COCCS 63270616340bb3c6f39f4a96b70e09a6 [0,1,0,0,0,0|2,0,0]=3 495 B8R0.6 CNC(=O)COCOC 3537c715a815bdbf6b14bfada111b9bd [0,1,0,0,0,0|2,0,0]=3 496 B8R0.6 CNC(=O)COCSC 241621ed8c34a22b0f5a33905a2ce887 [0,1,0,0,0,0|2,0,0]=3 497 B8R0.6 COC(=O)CCNC#N 7a530d6d679d08354249cd6e728a86d9 [0,1,0,0,0,0|1,0,1]=3 498 B8R0.6 COC(=O)CCNC=O 8ac47f4f93ba11ad1bac38fab4d03870 [0,1,0,0,0,0|1,0,1]=3 499 B8R0.6 COC(=O)CCNCF c9ea88c8e4da792c48ff261f6679c953 [0,1,0,0,0,0|1,0,0]=2 500 B8R0.6 COC(=O)CCNCO 9bc4822c35c94c877fc0ddc05b282774 [0,1,0,0,0,0|1,0,0]=2 501 B8R0.6 COC(=O)CCOCF 2f015a84e5a71939cec0c0c38276031f [0,1,0,0,0,0|1,0,0]=2 502 B8R0.6 COC(=O)CNCC#N e54efd0e7cdfa4eb3c060e8dafdb53cb [0,1,0,0,0,0|1,0,1]=3 503 B8R0.6 COC(=O)CNCC=O 1fc8d9a11636943df274e536a047e50f [0,1,0,0,0,0|1,0,1]=3 504 B8R0.6 COC(=O)CNCCBr e28aeca94e61f0de9c0ea2f9b9e87e88 [0,1,0,0,0,0|1,0,0]=2 505 B8R0.6 COC(=O)CNCCF d4a8c2b68347ac06f3cf07a0af263386 [0,1,0,0,0,0|1,0,0]=2 506 B8R0.6 COC(=O)CNCCI 45efb0e66cb53512c5450123a0571534 [0,1,0,0,0,0|1,0,0]=2 507 B8R0.6 COC(=O)CNCCO 9abf03e13c5594ade083b34dd22b9514 [0,1,0,0,0,0|1,0,0]=2 508 B8R0.6 COC(=O)CNCCS dafa382862b39c74b9bcdca9e45699c9 [0,1,0,0,0,0|1,0,0]=2 509 B8R0.6 COC(=O)CNCSC 8f9e6be1c8a25920663107a786d297b6 [0,1,0,0,0,0|1,0,0]=2 510 B8R0.6 COC(=O)COCC#N d961317c976447afdfd8be4bef3f1d28 [0,1,0,0,0,0|1,0,1]=3 511 B8R0.6 COC(=O)COCC=O 0afb003629944418146881e5868bab6a [0,1,0,0,0,0|1,0,1]=3 512 B8R0.6 COC(=O)COCCF 5fd538a27028a3025713a820ebe3ece9 [0,1,0,0,0,0|1,0,0]=2 513 B8R0.6 COC(=O)COCCS 8cf490d3a85a4d72de5bf7120c96cf93 [0,1,0,0,0,0|1,0,0]=2 514 B8R0.6 COC(=O)COCSC 0a7a5ae46e24085ed1063ee9467aa6ec [0,1,0,0,0,0|1,0,0]=2 515 B8R0.6 COC(=O)OCNC#N 68a1636c7d8817a5e8ec4b65f17a1204 [0,1,0,0,0,0|2,0,1]=4 516 B8R0.6 COC(C)CCOCF beae3c76f3600c0e0ecf07e49acce172 [0,1,0,0,0,0|2,0,1]=4 517 B8R0.6 COC(C)CNCCBr 343df0611702d315f20ba2f6e4b5d89e [0,1,0,0,0,0|2,0,1]=4 518 B8R0.6 COC(C)CNCCF 10866d4849ed6a7df5091f46a6ea088f [0,1,0,0,0,0|2,0,1]=4 519 B8R0.6 COC(C)CNCCI 8fad70571733b4fba11deb0bfcd773f8 [0,1,0,0,0,0|2,0,1]=4 520 B8R0.6 COC(C)CNCCO 0f8da2fe020173b495a919bb7366dd98 [0,1,0,0,0,0|2,0,1]=4 521 B8R0.6 COC(C)CNCCS f3b08876a57f08b549aea7a7a64ef627 [0,1,0,0,0,0|2,0,1]=4 522 B8R0.6 COC(C)COCCF 5159862ff77079abf873c153601e6960 [0,1,0,0,0,0|2,0,1]=4 523 B8R0.6 COC(C)COCCS 01eabf4ff56744b1f00192cd8f7d9372 [0,1,0,0,0,0|2,0,1]=4 524 B8R0.6 COC(C)COCSC c95dbaa03076c7f4675e922f7c6327fa [0,1,0,0,0,0|2,0,1]=4 525 B8R0.6 COCCNC(=O)C=O 479a8f4f41f775ca2b6ce8e0cf56b6b2 [0,1,0,0,0,0|3,0,0]=4 526 B8R0.6 COCCNC(=O)CF a94db18f72aef2ec4c716239c23c2008 [0,1,0,0,0,0|3,0,0]=4 527 B8R0.6 COCCNC(=O)CO d671289b16ab36037d0c8d78118b8d68 [0,1,0,0,0,0|3,0,0]=4 528 B8R0.6 COCCNC(=O)CS 4b3174b27751971a4c745429c4f67196 [0,1,0,0,0,0|3,0,0]=4 529 B8R0.6 COCNCC(=O)NO 6370b599efa65c671e4aeafd65f9dc2d [0,1,0,0,0,0|3,0,0]=4 530 B8R0.6 COCNCC(=O)OC 418d993c7f5c594cafa954c9550f79e1 [0,1,0,0,0,0|1,0,0]=2 531 B8R0.6 COCNC[C@@H](C)OC 8719badde24da218495728acf9da382d [0,1,0,0,0,0|2,0,1]=4 532 B8R0.6 COCNC[C@H](C)OC 0a6541aa22390aaad41f3e5d8953386c [0,1,0,0,0,0|2,0,1]=4 533 B8R0.6 COCOCC(=O)OC 2b399bb8cae6f66d03fa8086bd2ee628 [0,1,0,0,0,0|1,0,0]=2 534 B8R0.6 COCOCC(C)OC c05c58edc019f9219269006f32e8e653 [0,1,0,0,0,0|2,0,1]=4 535 B8R0.6 COCOC[C@@H](C)OC de9e91a19b19de64061abe48af26aa5f [0,1,0,0,0,0|2,0,1]=4 536 B8R0.6 COCOC[C@H](C)OC ad233134d7aadab353a6532bf99fe148 [0,1,0,0,0,0|2,0,1]=4 537 B8R0.6 CO[C@@H](C)CNCCBr 575520c7f8c5474ebd1a904f097eda0b [0,1,0,0,0,0|2,0,1]=4 538 B8R0.6 CO[C@@H](C)CNCCF aee6edb2eb80cfeeadac0acf7e33fac1 [0,1,0,0,0,0|2,0,1]=4 539 B8R0.6 CO[C@@H](C)CNCCI b65ec83d63f1e1893ea7f614e7bae64a [0,1,0,0,0,0|2,0,1]=4 540 B8R0.6 CO[C@@H](C)CNCCO bdc5af120e21fed0e9f5ff90640d6138 [0,1,0,0,0,0|2,0,1]=4 541 B8R0.6 CO[C@@H](C)CNCCS a5e9464e04656120c787441fd79c0eab [0,1,0,0,0,0|2,0,1]=4 542 B8R0.6 CO[C@@H](C)CNCSC 78931860676203d976e0374c798e7258 [0,1,0,0,0,0|2,0,1]=4 543 B8R0.6 CO[C@@H](C)COCCF 9de32b5c20f229d509647aa46de5af21 [0,1,0,0,0,0|2,0,1]=4 544 B8R0.6 CO[C@@H](C)COCCS ba23216a89cb693c1a306650cc6ad1f9 [0,1,0,0,0,0|2,0,1]=4 545 B8R0.6 CO[C@@H](C)COCSC 3d16e33683997381bb9d0caeea283c9d [0,1,0,0,0,0|2,0,1]=4 546 B8R0.6 CO[C@H](C)CNCCBr 569141d3b7c9c39130902631da0de609 [0,1,0,0,0,0|2,0,1]=4 547 B8R0.6 CO[C@H](C)CNCCF 1d79eaee53d341a8b7c0bca1964a4b8b [0,1,0,0,0,0|2,0,1]=4 548 B8R0.6 CO[C@H](C)CNCCI ef50295858d4acfee43909b511e6075c [0,1,0,0,0,0|2,0,1]=4 549 B8R0.6 CO[C@H](C)CNCCO eb0d14126ad888b1d3378c286328a08a [0,1,0,0,0,0|2,0,1]=4 550 B8R0.6 CO[C@H](C)CNCCS aba97d35ef4ac3709331e9b6c733191d [0,1,0,0,0,0|2,0,1]=4 551 B8R0.6 CO[C@H](C)CNCSC c3d3388a32eb99bbae83c0a117ed495b [0,1,0,0,0,0|2,0,1]=4 552 B8R0.6 CO[C@H](C)COCCF 331b775553b628c61f60475d9f4716e1 [0,1,0,0,0,0|2,0,1]=4 553 B8R0.6 CO[C@H](C)COCCS a0b19a1c6390e25349d6d4b4dc06403c [0,1,0,0,0,0|2,0,1]=4 554 B8R0.6 CO[C@H](C)COCSC bab8e0bbdfc17dc0e96f555e2d16602d [0,1,0,0,0,0|2,0,1]=4 555 B8R0.6 CSCCNC(=O)C=O 7c8e4143d4355f24a51fc16bfc32d9a1 [0,1,0,0,0,0|3,0,0]=4 556 B8R0.6 CSCCNC(=O)CF 57944584a9e694467df2be000c951ad6 [0,1,0,0,0,0|3,0,0]=4 557 B8R0.6 CSCCNC(=O)CO 65e8216c2feaa293039f65fdae32ef6d [0,1,0,0,0,0|3,0,0]=4 558 B8R0.6 CSCCNC(=O)CS 2af34aeed751cd9e812792b0dc7e1060 [0,1,0,0,0,0|3,0,0]=4 559 B8R0.6 CSCNCC(=O)NO 9162eae199ecb4fcb04238ef65fba3a9 [0,1,0,0,0,0|3,0,0]=4 560 B8R0.6 O=C(CCNCF)NO aaad06265f693e1393c4e11198291b97 [0,1,0,0,0,0|3,0,0]=4 561 B8R0.6 O=C(CCNCO)NO a2ec66bacb8f2a5bbd11eb6132728c80 [0,1,0,0,0,0|3,0,0]=4 562 B8R0.6 O=C(CF)NCCCCl 934b8e6ee889c80727ea8b7e3cae7f71 [0,1,0,0,0,0|3,0,0]=4 563 B8R0.6 O=C(CF)NCCCO f98476c767e724b095b3ceb9c47c191c [0,1,0,0,0,0|3,0,0]=4 564 B8R0.6 O=C(CNCCF)NO 4ede23953c58be1266bfab49008bd398 [0,1,0,0,0,0|3,0,0]=4 565 B8R0.6 O=C(CNCCO)NO 9399a3f3247500214a3724c003b791f0 [0,1,0,0,0,0|3,0,0]=4 566 B8R0.6 O=C(CNCCS)NO 6bd3c1ae8f710265188a27a831a6425d [0,1,0,0,0,0|3,0,0]=4 567 B8R0.6 O=C(CO)CNCCBr 4b4dd4df91e92b925ca40ac918c073a9 [0,1,0,0,0,0|3,0,0]=4 568 B8R0.6 O=C(CO)CNCCF 9f05edaf4811ba7f9ac498eb6a37ffc4 [0,1,0,0,0,0|3,0,0]=4 569 B8R0.6 O=C(CO)CNCCI fad7dbe7caa4eb2201e5d92c6c999ddf [0,1,0,0,0,0|3,0,0]=4 570 B8R0.6 O=C(CO)CNCCO 8473c1767740ea9d135f46111299d63c [0,1,0,0,0,0|3,0,0]=4 571 B8R0.6 O=C(CO)CNCCS 0b181a826e47050c4e6ba69a8d17fa11 [0,1,0,0,0,0|3,0,0]=4 572 B8R0.6 O=C(CO)NCCCCl 0c789d035d9d5ee643962906d4106d8a [0,1,0,0,0,0|3,0,0]=4 573 B8R0.6 O=C(CO)NCCCO 8d20a4d16a68281342a6c9aa794f8168 [0,1,0,0,0,0|3,0,0]=4 574 B8R0.6 O=C(CS)NCCCCl 17654daec75e68e56a406f3209f982cd [0,1,0,0,0,0|3,0,0]=4 575 B8R0.6 O=C(CS)NCCCO 9609fec7c0df8b51e8b529e1db0af996 [0,1,0,0,0,0|3,0,0]=4 576 B8R0.6 O=CC(=O)NCCCCl 64f1b2357217366e1bf6fcb0b40fa18e [0,1,0,0,0,0|3,0,0]=4 577 B8R0.6 O=CC(=O)NCCCO c7baf2e22cfdb49043ef0f7982d363e4 [0,1,0,0,0,0|3,0,0]=4 578 B8R0.8 C=C(Br)C(=O)NCCC 2837c9555b8dd6316a0bf9942b0335eb [0,1,0,0,0,0|2,0,1]=4 579 B8R0.8 C=C(C)C(=O)NCCBr 61120e26dbeb4e895f737bdf6d4436bb [0,1,0,0,0,0|3,0,0]=4 580 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,1,0,0,0,0|2,0,0]=3 581 B8R0.8 C=C(C)C(=O)NCCF 72013eef2585a0c39d2ebbaa6d0c72b9 [0,1,0,0,0,0|3,0,0]=4 582 B8R0.8 C=C(C)C(=O)NCCI cb5688c5d662b39b7123ac0fec17c67d [0,1,0,0,0,0|3,0,0]=4 583 B8R0.8 C=C(C)C(=O)NCCO 5937f095d3991cd8f739a66f2a9c04e9 [0,1,0,0,0,0|3,0,0]=4 584 B8R0.8 C=C(C)C(=O)NCCS 338ac740b4761d63bc015d9cb77d6c81 [0,1,0,0,0,0|3,0,0]=4 585 B8R0.8 C=C(Cl)C(=O)NCCC 7fabd2186cb29ffd4c2fa87ca91a4c93 [0,1,0,0,0,0|2,0,1]=4 586 B8R0.8 C=C(F)C(=O)NCCC 94823a38af8f5e8e7e73928fc821ff79 [0,1,0,0,0,0|2,0,1]=4 587 B8R0.8 CC(=O)C(=O)NCCBr b951238298d8a5693ac2dc119d2a6125 [0,1,0,0,0,0|3,0,0]=4 588 B8R0.8 CC(=O)C(=O)NCCF f10a316fe81eca6c402987edef00d0b4 [0,1,0,0,0,0|3,0,0]=4 589 B8R0.8 CC(=O)C(=O)NCCI 49a7fa58657568758ac0aac23ff45607 [0,1,0,0,0,0|3,0,0]=4 590 B8R0.8 CC(=O)C(=O)NCCO 68aa5fa37dd1955ac40b92420671c9c7 [0,1,0,0,0,0|3,0,0]=4 591 B8R0.8 CC(=O)C(=O)NCCS 0e86c38b29bd2555c9be005ee65dd41e [0,1,0,0,0,0|3,0,0]=4 592 B8R0.8 CC(F)C(=O)NCCI 8a0369cfed1018ee828f00a2e04759cb [0,1,0,0,0,0|3,0,0]=4 593 B8R0.8 CC(F)C(=O)NCCO 5714b08de3ce4f90a90b82e533206732 [0,1,0,0,0,0|3,0,0]=4 594 B8R0.8 CC(F)C(=O)NCCS b39d80e8f07ef9221c0aa27f4f78917f [0,1,0,0,0,0|3,0,0]=4 595 B8R0.8 CC(O)C(=O)NCCF 91832489eb3405f9b8e768fbbfba918a [0,1,0,0,0,0|3,0,0]=4 596 B8R0.8 CC(O)C(=O)NCCI 5facf5561b562fe9df389faa15b577b9 [0,1,0,0,0,0|3,0,0]=4 597 B8R0.8 CC(O)C(=O)NCCO 6eae43744294511500b3285e9523f49e [0,1,0,0,0,0|3,0,0]=4 598 B8R0.8 CC(O)C(=O)NCCS e3260ab4fe247ca165e429cfa29782cf [0,1,0,0,0,0|3,0,0]=4 599 B8R0.8 CC(S)C(=O)NCCBr 126071a5e51b1b4d749efb8373eb23f1 [0,1,0,0,0,0|3,0,0]=4 600 B8R0.8 CC(S)C(=O)NCCF bd1e9d5683d56052e1e5cebd3f28f61a [0,1,0,0,0,0|3,0,0]=4 601 B8R0.8 CC(S)C(=O)NCCI d038059eeddb4ba2e800fd8c5ef18be5 [0,1,0,0,0,0|3,0,0]=4 602 B8R0.8 CC(S)C(=O)NCCO 3004d33b884c289d9839660aa24797db [0,1,0,0,0,0|3,0,0]=4 603 B8R0.8 CC(S)C(=O)NCCS 94de661ebd08e98861fe24c1031e17a2 [0,1,0,0,0,0|3,0,0]=4 604 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,1,0,0,0,0|3,0,0]=4 605 B8R0.8 CCCCN(C)C(C)C 4a3f335e6c2bdd887eef651ff194ba1b [0,1,0,0,0,0|3,0,0]=4 606 B8R0.8 CCCNC(=O)C(=O)C 6616f52ba2db0bc51edea61ef0a86e36 [0,1,0,0,0,0|2,0,0]=3 607 B8R0.8 CCCNC(=O)C(=O)N 13b9d7246a4f43d25f7b6094605e09c1 [0,1,0,0,0,0|3,0,0]=4 608 B8R0.8 CCCNC(=O)C(C)F 26c3e292e8bf81a2774c215b87fe205c [0,1,0,0,0,0|2,0,0]=3 609 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,1,0,0,0,0|2,0,0]=3 610 B8R0.8 CCCNC(=O)C(C)S 14ef60dcd7bf53e38f1b48b3ac0916eb [0,1,0,0,0,0|2,0,0]=3 611 B8R0.8 CCCNC(=O)C(F)F 071dc3f73dcbda1779f15b4fb1ae3271 [0,1,0,0,0,0|3,0,0]=4 612 B8R0.8 CCCNC(=O)C(O)O 1935daac569a1d73c1bfec746173b734 [0,1,0,0,0,0|3,0,0]=4 613 B8R0.8 CCCNC(=O)[C@@H](C)F 56745f27d02daa9bdc007207f8e02ad7 [0,1,0,0,0,0|2,0,0]=3 614 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,1,0,0,0,0|2,0,0]=3 615 B8R0.8 CCCNC(=O)[C@H](C)F a5efcba7d8423bf0c2ba50ff959f1165 [0,1,0,0,0,0|2,0,0]=3 616 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,1,0,0,0,0|2,0,0]=3 617 B8R0.8 CCNCC(=O)N(C)C cbb9e14980a25920980b7a9bd2e1ff0d [0,1,0,0,0,0|2,0,0]=3 618 B8R0.8 CCOCC(=O)N(C)C d0c210c00ef540f269d37621e03eeac7 [0,1,0,0,0,0|2,0,0]=3 619 B8R0.8 CN(C)C(=O)CNCF 995a01d774effc285f46d6754b581835 [0,1,0,0,0,0|3,0,0]=4 620 B8R0.8 CN(C)C(=O)CNCO 96d5a62ee0387bff5870c231652b10bc [0,1,0,0,0,0|3,0,0]=4 621 B8R0.8 CN(C)C(=O)COCF 2eb473ab3b971690a1d108e40a5614a8 [0,1,0,0,0,0|3,0,0]=4 622 B8R0.8 C[C@@H](F)C(=O)NCCI 3800b05361fad7ddfa1629fce9d20fa0 [0,1,0,0,0,0|3,0,0]=4 623 B8R0.8 C[C@@H](F)C(=O)NCCO d7174fc5c801463ae00a56232eff941a [0,1,0,0,0,0|3,0,0]=4 624 B8R0.8 C[C@@H](F)C(=O)NCCS 749fd7706d0ec6e0daade6c7e1cd3708 [0,1,0,0,0,0|3,0,0]=4 625 B8R0.8 C[C@@H](O)C(=O)NCCF a16414928601b2d6fce8684097146547 [0,1,0,0,0,0|3,0,0]=4 626 B8R0.8 C[C@@H](O)C(=O)NCCI 12bd14996ece1fc55d11b04df696dca9 [0,1,0,0,0,0|3,0,0]=4 627 B8R0.8 C[C@@H](O)C(=O)NCCO 35de042b0d140c54bda91feb1cdb127d [0,1,0,0,0,0|3,0,0]=4 628 B8R0.8 C[C@@H](O)C(=O)NCCS 4ea55b84babe82864696fb723221b8ee [0,1,0,0,0,0|3,0,0]=4 629 B8R0.8 C[C@H](F)C(=O)NCCI 5f656c51ae2dfaf00b4ef9a34c71ecd6 [0,1,0,0,0,0|3,0,0]=4 630 B8R0.8 C[C@H](F)C(=O)NCCO 3757477e5dbeaeb7bd7368631f26cff2 [0,1,0,0,0,0|3,0,0]=4 631 B8R0.8 C[C@H](F)C(=O)NCCS 768c95e6a0f1ac131a654b3bd54857ca [0,1,0,0,0,0|3,0,0]=4 632 B8R0.8 C[C@H](O)C(=O)NCCF 9cb153874861efa121a2a3efd64f7b30 [0,1,0,0,0,0|3,0,0]=4 633 B8R0.8 C[C@H](O)C(=O)NCCI fb8bee75ecdef23926c8dd96e5a8446c [0,1,0,0,0,0|3,0,0]=4 634 B8R0.8 C[C@H](O)C(=O)NCCO a8a620bab8ff63cc8d6c82762d26d446 [0,1,0,0,0,0|3,0,0]=4 635 B8R0.8 C[C@H](O)C(=O)NCCS 473cfe5bd499406c2c4ec28ce5acf099 [0,1,0,0,0,0|3,0,0]=4 636 B8R0.9 C#CC(=O)NCC(C)C 1b59405d1466ebf3ed688b4fa128ca83 [0,1,0,0,0,0|2,0,1]=4 637 B8R0.9 C#CC(=O)NCC(C)O d06b1fbbe3bccdb17bbcfe3d455fa3bd [0,1,0,0,0,0|2,0,1]=4 638 B8R0.9 C#CC(=O)NC[C@@H](C)O 10b3294b5638bea9282cda41b0b922a3 [0,1,0,0,0,0|2,0,1]=4 639 B8R0.9 C#CC(=O)NC[C@H](C)O 8c9f626c9458795b5c2c126773a4669e [0,1,0,0,0,0|2,0,1]=4 640 B8R0.9 C=C(C)CNC(=O)CC 32c4b91879f81cdaadb4286b48c67a5d [0,1,0,0,0,0|2,0,1]=4 641 B8R0.9 C=C(CC)COC(C)C 158b3c8f8440057d90f95fd6ad44dfdf [0,1,0,0,0,0|3,0,0]=4 642 B8R0.9 C=C(COC(C)C)OC 96f850636a0fcded9cc7f40aac2f05a4 [0,1,0,0,0,0|2,0,0]=3 643 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,1,0,0,0,0|2,0,1]=4 644 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,1,0,0,0,0|2,0,1]=4 645 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,1,0,0,0,0|2,0,1]=4 646 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,1,0,0,0,0|2,0,1]=4 647 B8R0.9 CC(C)CNC(=O)C=O b40cc57029845c8997b7aa8efc245b60 [0,1,0,0,0,0|3,0,0]=4 648 B8R0.9 CC(C)CNC(=O)CF 9eb01591588fc3f21824d07c6994c4ce [0,1,0,0,0,0|3,0,0]=4 649 B8R0.9 CC(C)CNC(=O)CO 748dd4a1556e9d036080c13c38338fdb [0,1,0,0,0,0|3,0,0]=4 650 B8R0.9 CC(C)CNC(=O)CS 24a37322ef0bc9a4c645dfd16fd4ed0f [0,1,0,0,0,0|3,0,0]=4 651 B8R0.9 CC(C)NCC(=O)NO d714842a0c42249cabffc4dfd5ab50bd [0,1,0,0,0,0|3,0,0]=4 652 B8R0.9 CC(O)CNC(=O)C=O a19c80ebbd3c5b0340f36c5c68b9e508 [0,1,0,0,0,0|3,0,0]=4 653 B8R0.9 CC(O)CNC(=O)CF d59c5e79c77aa7d822e3ecb11dcaef82 [0,1,0,0,0,0|3,0,0]=4 654 B8R0.9 CC(O)CNC(=O)CO 9be864f31d0f9194e8eb36240c465097 [0,1,0,0,0,0|3,0,0]=4 655 B8R0.9 CC(O)CNC(=O)CS dbff926c910e39aef95fc4a90e7f24a8 [0,1,0,0,0,0|3,0,0]=4 656 B8R0.9 CCC(=O)COC(C)C 5c8d297b0416149f24332452b8f0f1e3 [0,1,0,0,0,0|2,0,0]=3 657 B8R0.9 CCC(=O)NCC(=O)C 5911502c3a8395822fc4c0959647e135 [0,1,0,0,0,0|2,0,1]=4 658 B8R0.9 CCC(=O)NCC(C)C 80d4e4c057e6f7b9eae8a2bfacaea014 [0,1,0,0,0,0|2,0,0]=3 659 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,1,0,0,0,0|2,0,0]=3 660 B8R0.9 CCC(=O)NCC(F)F 4cc4f3b720e259ef94d2e9ddeae5379b [0,1,0,0,0,0|3,0,0]=4 661 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,1,0,0,0,0|2,0,0]=3 662 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,1,0,0,0,0|2,0,0]=3 663 B8R0.9 CCN(C)CCC(C)C cccf47d146781af2a5619f47aba63cf9 [0,1,0,0,0,0|3,0,0]=4 664 B8R0.9 CCN(C)CCC(C)O 4308bf1a991d7ca66cadc45942e7cdad [0,1,0,0,0,0|3,0,0]=4 665 B8R0.9 CNC(=O)CNC(=O)C c907d9576897cc728ca9c254cf3b05e9 [0,1,0,0,0,0|2,0,1]=4 666 B8R0.9 CNC(=O)CNC(C)C 566e2c52ea2eed119c48dda13ee7cd22 [0,1,0,0,0,0|2,0,0]=3 667 B8R0.9 CNC(=O)COC(C)C ac98fb8d262335081328b24dd3b587d1 [0,1,0,0,0,0|2,0,0]=3 668 B8R0.9 COC(=O)CNC(=O)C b0f97d8003dd4b6278e13b9959e4a2e1 [0,1,0,0,0,0|1,0,1]=3 669 B8R0.9 COC(=O)CNC(C)C c3733748a55be9c482138184ed5baa45 [0,1,0,0,0,0|1,0,0]=2 670 B8R0.9 COC(=O)COC(C)C 532fce5a880346bf56d52549b85157a8 [0,1,0,0,0,0|1,0,0]=2 671 B8R0.9 COC(C)COC(C)C e0f36ed0d37cc72967fbcb31b176fbbc [0,1,0,0,0,0|2,0,1]=4 672 B8R0.9 CO[C@@H](C)CNC(C)C eecabc1ac3a4e8ac38a6083cfc2aa6d9 [0,1,0,0,0,0|2,0,1]=4 673 B8R0.9 CO[C@@H](C)COC(C)C e5a767f401763c27f1a4b5f4477a554e [0,1,0,0,0,0|2,0,1]=4 674 B8R0.9 CO[C@H](C)CNC(C)C d8682f4f6865fec3b1570e72c54ecebc [0,1,0,0,0,0|2,0,1]=4 675 B8R0.9 CO[C@H](C)COC(C)C c1851bedfec20c17d08aaba18efdab41 [0,1,0,0,0,0|2,0,1]=4 676 B8R0.9 C[C@@H](O)CNC(=O)C=O 2603ee2d0f069eae7661384f7ee697eb [0,1,0,0,0,0|3,0,0]=4 677 B8R0.9 C[C@@H](O)CNC(=O)CF 6a61f49e9c0d24ab6d4f46deb1461e7d [0,1,0,0,0,0|3,0,0]=4 678 B8R0.9 C[C@@H](O)CNC(=O)CO 9634e7d0b81aeff4d0ebcb0b1d05ff89 [0,1,0,0,0,0|3,0,0]=4 679 B8R0.9 C[C@@H](O)CNC(=O)CS 74f2114c184fa00cea5ec42867e295a6 [0,1,0,0,0,0|3,0,0]=4 680 B8R0.9 C[C@H](O)CNC(=O)C=O 93688556993d21a2fc23a4f3acf54052 [0,1,0,0,0,0|3,0,0]=4 681 B8R0.9 C[C@H](O)CNC(=O)CF de054442a5e1e940c151636e21f7cde2 [0,1,0,0,0,0|3,0,0]=4 682 B8R0.9 C[C@H](O)CNC(=O)CO a9cb6b1498a706bccaa6d180a5a461c7 [0,1,0,0,0,0|3,0,0]=4 683 B8R0.9 C[C@H](O)CNC(=O)CS a2cc47a92507f6d2ddfbe5205109d70d [0,1,0,0,0,0|3,0,0]=4 684 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [0,1,0,0,0,0|2,0,0]=3 685 B8R0.11 CCCCN(CC)CC 799082ccac5d401a30542c693df9a037 [0,1,0,0,0,0|3,0,0]=4 686 B8R0.11 CCCCN(CC)CF 191f83d5d3d3672b3280b00206bb418d [0,1,0,0,0,0|3,0,0]=4 687 B8R0.11 CCCCN(CC)CO 357cfc04e742bfe2a111c827fc08c91d [0,1,0,0,0,0|2,0,1]=4 688 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,1,0,0,0,0|2,0,1]=4 689 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [0,1,0,0,0,0|2,0,1]=4 690 B8R0.11 CCN(C=O)CCCO 1400c17018da6a8c616cf48985189e21 [0,1,0,0,0,0|3,0,0]=4 691 B8R0.11 CCN(C=O)CCOC 57d3ddcf433d03a3e450ecf7301ce02d [0,1,0,0,0,0|3,0,0]=4 692 B8R0.11 CCNCC(OC)OC 26fa377ed2d7d3b7dcf0856e2500bca6 [0,1,0,0,0,0|1,0,2]=4 693 B8R0.11 CCNC[C@H](CO)OC f1b838e35b3971f2096ee819dd16e94f [0,1,0,0,0,0|1,0,2]=4 694 B8R0.11 CCOCC(CC)OC 77f87423c25a9b6cc7e7d85adf6c40fb [0,1,0,0,0,0|2,0,1]=4 695 B8R0.11 CCOCC(OC)OC b71dbc024373adcdb0cb2f1e19de9934 [0,1,0,0,0,0|1,0,2]=4 696 B8R0.19 C#CC(=O)NC(C)CC 61d9b7eb83f4ff7eb7086f9d7e1ae285 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.19 C#CC(=O)N[C@@H](C)CC e4430e1df3d27e1f60bfd6ac8cb2107b [0,1,0,0,0,0|2,0,1]=4 698 B8R0.19 C#CC(=O)N[C@H](C)CC 4b809239b5091186dfbcfe36ab818a64 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.19 C=C(CC)CN(C)CC a5edac56bd516c3e08abe80274b2ef4e [0,1,0,0,0,0|3,0,0]=4 700 B8R0.19 C=C(CN(C)CC)OC ae7aed41eaced6b8d6d4f4656a97dade [0,1,0,0,0,0|2,0,0]=3 701 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,1,0,0,0,0|2,0,1]=4 702 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,1,0,0,0,0|2,0,1]=4 703 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,1,0,0,0,0|2,0,1]=4 704 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,1,0,0,0,0|2,0,0]=3 705 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,1,0,0,0,0|2,0,0]=3 706 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,1,0,0,0,0|3,0,0]=4 707 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,1,0,0,0,0|2,0,0]=3 708 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,1,0,0,0,0|3,0,0]=4 709 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,1,0,0,0,0|2,0,0]=3 710 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,1,0,0,0,0|3,0,0]=4 711 B8R0.19 CCC(C)CN(C)CC c97a2f07dd5fecc0e91af558e8842f65 [0,1,0,0,0,0|3,0,0]=4 712 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,1,0,0,0,0|3,0,0]=4 713 B8R0.19 CCC(C)NC(=O)CF be99e999222b335d1cb75f36b6d9cd45 [0,1,0,0,0,0|3,0,0]=4 714 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,1,0,0,0,0|3,0,0]=4 715 B8R0.19 CCC(C)NC(=O)CS 2bbecd1472ce4a0c07af9c3693119c31 [0,1,0,0,0,0|3,0,0]=4 716 B8R0.19 CCC(O)CN(C)CC 05ba2ce1cbf52722b11091eb58aa8124 [0,1,0,0,0,0|3,0,0]=4 717 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,1,0,0,0,0|3,0,0]=4 718 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,1,0,0,0,0|2,0,0]=3 719 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,1,0,0,0,0|1,0,0]=2 720 B8R0.19 CCN(C)CC(C)OC 377b6e41a65d04757b988ceba2b54f82 [0,1,0,0,0,0|2,0,1]=4 721 B8R0.19 CCN(C)C[C@@H](C)OC 423ec57342e946c8b4839b0ec5409baa [0,1,0,0,0,0|2,0,1]=4 722 B8R0.19 CCN(C)C[C@H](C)OC fbb444e22eeeab9bc96df09d063788d3 [0,1,0,0,0,0|2,0,1]=4 723 B8R0.19 CC[C@@H](C)CN(C)CC c7c9b5c0068d5d12f050f43bd2f96d97 [0,1,0,0,0,0|3,0,0]=4 724 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,1,0,0,0,0|3,0,0]=4 725 B8R0.19 CC[C@@H](C)NC(=O)CF 972ccf96eab46daa18ae78e952074e33 [0,1,0,0,0,0|3,0,0]=4 726 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,1,0,0,0,0|3,0,0]=4 727 B8R0.19 CC[C@@H](C)NC(=O)CS 6576ffdd87c3ad0b66c846698b8c9218 [0,1,0,0,0,0|3,0,0]=4 728 B8R0.19 CC[C@H](C)CN(C)CC a2f007d5d2fc9c89853c614ebf5a2522 [0,1,0,0,0,0|3,0,0]=4 729 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,1,0,0,0,0|3,0,0]=4 730 B8R0.19 CC[C@H](C)NC(=O)CF 4effc7db6392db0aa027693c9704097d [0,1,0,0,0,0|3,0,0]=4 731 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,1,0,0,0,0|3,0,0]=4 732 B8R0.19 CC[C@H](C)NC(=O)CS 035bd81fae7cc99474ceaac0a841b71d [0,1,0,0,0,0|3,0,0]=4 733 B8R0.19 CNC(=O)CN(C)CF c4335c7de1ec7a5bdf4619e54da80079 [0,1,0,0,0,0|3,0,0]=4 734 B8R0.19 CNC(=O)CN(C)CO 5e5aacc592b2dd5b7a781dd38b53445b [0,1,0,0,0,0|3,0,0]=4 735 B8R0.19 COC(=O)CN(C)C=O 943cc5729a7d321dfa7dcb2f4fa86c17 [0,1,0,0,0,0|2,0,1]=4 736 B8R0.19 COC(=O)CN(C)CF 315bad3552c61e9bc012d524d408a643 [0,1,0,0,0,0|2,0,0]=3 737 B8R0.19 COC(=O)CN(C)CO ead5047548ab9512878dca6e9fed3e38 [0,1,0,0,0,0|2,0,0]=3 738 B8R0.25 CCNCC(C)(C)OC c3bca34b08f59550af2778bc2b8a901a [0,1,0,0,0,0|2,0,1]=4 739 B8R0.25 CCOCC(C)(C)OC b1e241064e68048b57392d53b6432a3b [0,1,0,0,0,0|2,0,1]=4 740 B8R1.1 CCN1CCC(C1)C c5b0c6261615cc6c7323d9c48f305770 [0,0,0,1,0,0|3,0,0]=4 741 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,0,0,1,0,0|2,0,0]=3 742 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,0,0,1,0,0|3,0,0]=4 743 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,0,0,1,0,0|3,0,0]=4 744 B8R1.10 CCCCN1CCC1 7fbca42388bc0dd3c1b836c8bc1c15ea [0,0,0,1,0,0|3,0,0]=4 745 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,0,0,1,0,0|2,0,1]=4 746 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,0,0,1,0,0|2,0,1]=4 747 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,0,0,1,0,0|2,0,1]=4 748 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,0,0,1,0,0|2,0,1]=4 749 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,0,0,1,0,0|2,0,1]=4 750 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,0,0,1,0,0|2,0,1]=4 751 B8R1.13 CCNC1COC1C 374ee97892517da30cf5002a479f4531 [0,0,0,1,0,0|2,0,1]=4 752 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,0,0,1,0,0|2,0,0]=3 753 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,0,0,1,0,0|2,0,0]=3 754 B8R1.13 CCOC1COC1C 292e3380dc65ec96d8cfb63b3a1d4796 [0,0,0,1,0,0|2,0,1]=4 755 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,0,0,1,0,0|3,0,0]=4 756 B8R1.13 O=C1NC[C@@H]1NCF 0d76b77004abe2bde2fffde83ac370da [0,0,0,1,0,0|3,0,0]=4 757 B8R1.13 O=C1NC[C@@H]1NCO 13e7ef24d5bda6a447193e9ab8c1b3ed [0,0,0,1,0,0|3,0,0]=4 758 B8R1.17 CCN[C@@H]1C[C@@H]1OC ad259a5443520644deb60f8f52443384 [0,0,0,1,0,0|2,0,1]=4 759 B8R1.38 C#CC(=O)N1CCC1 ee88789ac1776648008850b2a3fc2fcb [0,0,0,1,0,0|2,0,1]=4 760 B8R1.38 C=CC(=O)N1CCC1 d0139f7b17a74aad2f7c1656c4595cf8 [0,0,0,1,0,0|2,0,1]=4 761 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,0,0,1,0,0|2,0,0]=3 762 B8R1.38 CCN(C)C1CCC1 f4c71fad86f93d124aa033d80b305738 [0,0,0,1,0,0|3,0,0]=4 763 B8R1.38 O=C(CF)N1CCC1 e1631cac567168a725b0163e106fbfc3 [0,0,0,1,0,0|3,0,0]=4 764 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,0,0,1,0,0|3,0,0]=4 765 B8R1.38 O=C(CS)N1CCC1 483ef26b984ed24bd38f07147cc524a3 [0,0,0,1,0,0|3,0,0]=4 766 B8R1.38 O=CC(=O)N1CCC1 3cd44a972429668a2e301e83de6705a9 [0,0,0,1,0,0|3,0,0]=4 767 B8R1.40 C#CC(=O)NC1CC1 da5e3817a968937fe8ebc526d822a2bb [0,0,0,1,0,0|2,0,1]=4 768 B8R1.40 C=CC(=O)NC1CC1 ae1867ae5f1dd1acb685caa201da262d [0,0,0,1,0,0|2,0,1]=4 769 B8R1.40 CCC(=O)NC1CC1 bc1edd04b4e58cbfa3a5f5c726ebfe6b [0,0,0,1,0,0|2,0,0]=3 770 B8R1.40 CCN(C)CC1CC1 54cb31e95fbf3de98bdb1be424bfef82 [0,0,0,1,0,0|3,0,0]=4 771 B8R1.40 O=C(CF)NC1CC1 9ccf83dad7006c7283aead2cfdfd9cfa [0,0,0,1,0,0|3,0,0]=4 772 B8R1.40 O=C(CO)NC1CC1 bb096758b55cfb0505bd2d10961bc923 [0,0,0,1,0,0|3,0,0]=4 773 B8R1.40 O=C(CS)NC1CC1 47ed3dec057db245af795d634c1f00f4 [0,0,0,1,0,0|3,0,0]=4 774 B8R1.40 O=CC(=O)NC1CC1 288abfcb7bdb635fa8f12884916c723b [0,0,0,1,0,0|3,0,0]=4 775 B8R1.47 CCC1CN(C1)CC 27929d598393fc53e615f7cb52a3273d [0,0,0,1,0,0|3,0,0]=4 776 B8R1.47 CCN1CC(C1)OC c8d6a3d95b85a0be9074dc6d9bfa1ff3 [0,0,0,1,0,0|2,0,1]=4 777 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [2,0,0,0,0,0|1,0,0]=3 778 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,1]=4 779 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [2,0,0,0,0,0|1,0,1]=4 780 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|1,0,1]=4 781 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,0,1]=4 782 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|1,0,0]=3 783 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [2,0,0,0,0,0|2,0,0]=4 784 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [2,0,0,0,0,0|2,0,0]=4 785 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [2,0,0,0,0,0|2,0,0]=4 786 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [2,0,0,0,0,0|2,0,0]=4 787 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [2,0,0,0,0,0|2,0,0]=4 788 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [2,0,0,0,0,0|2,0,0]=4 789 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [1,1,0,0,0,0|1,0,1]=4 790 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [1,1,0,0,0,0|0,1,0]=3 791 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [1,1,0,0,0,0|0,1,0]=3 792 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,1,0,0,0,0|1,0,1]=4 793 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [1,1,0,0,0,0|1,0,1]=4 794 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [1,1,0,0,0,0|2,0,0]=4 795 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,1,0,0,0,0|1,0,1]=4 796 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [1,1,0,0,0,0|1,0,1]=4 797 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,1,0,0,0,0|1,0,1]=4 798 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [1,1,0,0,0,0|1,0,1]=4 799 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [1,1,0,0,0,0|2,0,0]=4 800 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [1,1,0,0,0,0|2,0,0]=4 801 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [1,1,0,0,0,0|0,0,2]=4 802 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [1,1,0,0,0,0|0,0,2]=4 803 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [1,1,0,0,0,0|0,0,2]=4 804 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [1,1,0,0,0,0|0,0,2]=4 805 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [1,1,0,0,0,0|0,0,2]=4 806 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [1,1,0,0,0,0|1,0,1]=4 807 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [1,1,0,0,0,0|1,0,1]=4 808 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [1,1,0,0,0,0|1,0,1]=4 809 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [1,1,0,0,0,0|1,0,0]=3 810 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [1,1,0,0,0,0|2,0,0]=4 811 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [1,1,0,0,0,0|2,0,0]=4 812 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [1,1,0,0,0,0|1,0,0]=3 813 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [1,1,0,0,0,0|2,0,0]=4 814 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [1,1,0,0,0,0|2,0,0]=4 815 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [1,1,0,0,0,0|1,0,0]=3 816 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [1,1,0,0,0,0|2,0,0]=4 817 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [1,1,0,0,0,0|2,0,0]=4 818 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [1,1,0,0,0,0|2,0,0]=4 819 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [1,1,0,0,0,0|2,0,0]=4 820 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [1,1,0,0,0,0|2,0,0]=4 821 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [1,1,0,0,0,0|2,0,0]=4 822 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [1,1,0,0,0,0|1,0,0]=3 823 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [1,1,0,0,0,0|2,0,0]=4 824 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [1,1,0,0,0,0|2,0,0]=4 825 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [1,1,0,0,0,0|2,0,0]=4 826 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [1,1,0,0,0,0|2,0,0]=4 827 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [1,1,0,0,0,0|1,0,1]=4 828 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [1,1,0,0,0,0|1,0,1]=4 829 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [1,1,0,0,0,0|1,0,1]=4 830 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [1,1,0,0,0,0|1,0,1]=4 831 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [1,1,0,0,0,0|1,0,1]=4 832 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [1,1,0,0,0,0|0,0,2]=4 833 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,1,0,0,0,0|0,0,2]=4 834 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,1,0,0,0,0|0,0,2]=4 835 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,1,0,0,0,0|0,0,2]=4 836 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [1,1,0,0,0,0|0,0,2]=4 837 B7R0.4 CC#CCNC(=O)C 0b9b1f8c1419bc28dc48ec1c6507ca3d [1,1,0,0,0,0|0,0,2]=4 838 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [1,1,0,0,0,0|1,0,1]=4 839 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [1,1,0,0,0,0|1,0,0]=3 840 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [1,1,0,0,0,0|1,0,1]=4 841 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,1,0,0,0,0|1,0,1]=4 842 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [1,1,0,0,0,0|1,0,0]=3 843 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [1,1,0,0,0,0|1,0,0]=3 844 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [1,1,0,0,0,0|1,0,0]=3 845 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [1,1,0,0,0,0|1,0,1]=4 846 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,1,0,0,0,0|1,0,1]=4 847 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [1,1,0,0,0,0|1,0,0]=3 848 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [1,1,0,0,0,0|1,0,0]=3 849 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [1,1,0,0,0,0|1,0,1]=4 850 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [1,1,0,0,0,0|1,0,0]=3 851 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [1,1,0,0,0,0|1,0,0]=3 852 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [1,1,0,0,0,0|2,0,0]=4 853 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [1,1,0,0,0,0|2,0,0]=4 854 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [1,1,0,0,0,0|0,0,2]=4 855 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [1,1,0,0,0,0|0,0,0]=2 856 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [1,1,0,0,0,0|1,0,1]=4 857 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [1,1,0,0,0,0|1,0,1]=4 858 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [1,1,0,0,0,0|0,0,0]=2 859 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [1,1,0,0,0,0|1,0,0]=3 860 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,1,0,0,0,0|0,0,0]=2 861 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [1,1,0,0,0,0|1,0,1]=4 862 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [1,1,0,0,0,0|0,0,2]=4 863 B7R0.4 CCCNCN(C)C 6cfa8606f274157e5146a9a1a1e43db8 [1,1,0,0,0,0|2,0,0]=4 864 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [1,1,0,0,0,0|0,0,2]=4 865 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [1,1,0,0,0,0|0,0,2]=4 866 B7R0.4 CCCNC[N+](=O)[O-] 419587d101301b41277d69884923c893 [1,1,0,0,0,0|1,0,1]=4 867 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [1,1,0,0,0,0|0,0,0]=2 868 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [1,1,0,0,0,0|1,0,0]=3 869 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,1,0,0,0,0|0,0,0]=2 870 B7R0.4 CCCOCC(=S)N de4cf6b87e1a0924ce6659273b2f578f [1,1,0,0,0,0|1,1,0]=4 871 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [1,1,0,0,0,0|1,0,1]=4 872 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [1,1,0,0,0,0|1,0,1]=4 873 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [1,1,0,0,0,0|0,1,1]=4 874 B7R0.4 CCCOCN(C)C 36ffd2679676671661da29a84172c95d [1,1,0,0,0,0|2,0,0]=4 875 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [1,1,0,0,0,0|1,0,0]=3 876 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [1,1,0,0,0,0|1,0,1]=4 877 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [1,1,0,0,0,0|1,0,1]=4 878 B7R0.4 CCCOC[N+](=O)[O-] 57fc1d5897b3bb3312e1a8c9c07caf8c [1,1,0,0,0,0|1,0,1]=4 879 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [1,1,0,0,0,0|1,0,1]=4 880 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [1,1,0,0,0,0|1,0,0]=3 881 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,1,0,0,0,0|0,0,0]=2 882 B7R0.4 CCNCCC(=S)N 76a84de3aae7ce57b9732b2228d88da8 [1,1,0,0,0,0|1,1,0]=4 883 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [1,1,0,0,0,0|1,0,1]=4 884 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [1,1,0,0,0,0|0,0,2]=4 885 B7R0.4 CCNCCN(C)C 623f50aa4be9ebc8f28d6a0c3c6ed1a7 [1,1,0,0,0,0|2,0,0]=4 886 B7R0.4 CCNCCS(=O)C 6adfbd2d8fb4ec32091a9ce07fb581f6 [1,1,0,0,0,0|1,0,0]=3 887 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [1,1,0,0,0,0|1,0,0]=3 888 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [1,1,0,0,0,0|0,0,2]=4 889 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [1,1,0,0,0,0|0,0,2]=4 890 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [1,1,0,0,0,0|1,0,1]=4 891 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [1,1,0,0,0,0|1,0,1]=4 892 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [1,1,0,0,0,0|1,0,1]=4 893 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [1,1,0,0,0,0|1,0,1]=4 894 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [1,1,0,0,0,0|0,0,0]=2 895 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [1,1,0,0,0,0|1,0,0]=3 896 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,1,0,0,0,0|0,0,0]=2 897 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,1,0,0,0,0|1,0,1]=4 898 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [1,1,0,0,0,0|2,0,0]=4 899 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [1,1,0,0,0,0|1,0,0]=3 900 B7R0.4 CCOCC[N+](=O)[O-] 8e5e0c25af9383a49962ecbafeaf1cdb [1,1,0,0,0,0|1,0,1]=4 901 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [1,1,0,0,0,0|1,0,0]=3 902 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [1,1,0,0,0,0|2,0,0]=4 903 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [1,1,0,0,0,0|1,0,0]=3 904 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [1,1,0,0,0,0|1,0,0]=3 905 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [1,1,0,0,0,0|2,0,0]=4 906 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,1,0,0,0,0|1,0,0]=3 907 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [1,1,0,0,0,0|1,0,0]=3 908 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [1,1,0,0,0,0|2,0,0]=4 909 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,1,0,0,0,0|1,0,0]=3 910 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [1,1,0,0,0,0|2,0,0]=4 911 B7R0.4 CS(=O)CCNCF d9c1484515d26db91a75e89c525299ec [1,1,0,0,0,0|2,0,0]=4 912 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [1,1,0,0,0,0|2,0,0]=4 913 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [1,1,0,0,0,0|2,0,0]=4 914 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [1,1,0,0,0,0|1,0,0]=3 915 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [1,1,0,0,0,0|1,0,0]=3 916 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [1,1,0,0,0,0|2,0,0]=4 917 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,1,0,0,0,0|1,0,0]=3 918 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [1,1,0,0,0,0|1,0,0]=3 919 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [1,1,0,0,0,0|2,0,0]=4 920 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,1,0,0,0,0|1,0,0]=3 921 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [1,1,0,0,0,0|2,0,0]=4 922 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [1,1,0,0,0,0|1,0,1]=4 923 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [1,1,0,0,0,0|1,0,1]=4 924 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [1,1,0,0,0,0|1,0,1]=4 925 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [1,1,0,0,0,0|2,0,0]=4 926 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [1,1,0,0,0,0|2,0,0]=4 927 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [1,1,0,0,0,0|2,0,0]=4 928 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [1,1,0,0,0,0|2,0,0]=4 929 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [1,1,0,0,0,0|2,0,0]=4 930 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [1,1,0,0,0,0|2,0,0]=4 931 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [1,1,0,0,0,0|2,0,0]=4 932 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [1,1,0,0,0,0|2,0,0]=4 933 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [1,1,0,0,0,0|2,0,0]=4 934 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [1,1,0,0,0,0|2,0,0]=4 935 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,1,0,0,0,0|1,0,0]=3 936 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,1,0,0,0,0|1,0,0]=3 937 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,1,0,0,0,0|1,0,0]=3 938 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,1,0,0,0,0|1,0,0]=3 939 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,1,0,0,0,0|1,0,0]=3 940 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,1,0,0,0,0|1,0,0]=3 941 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [1,1,0,0,0,0|1,0,0]=3 942 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [1,1,0,0,0,0|1,0,0]=3 943 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [1,1,0,0,0,0|1,0,0]=3 944 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [1,1,0,0,0,0|1,0,0]=3 945 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [1,1,0,0,0,0|1,0,1]=4 946 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [1,1,0,0,0,0|1,0,1]=4 947 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [1,1,0,0,0,0|2,0,0]=4 948 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [1,1,0,0,0,0|2,0,0]=4 949 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [1,1,0,0,0,0|2,0,0]=4 950 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [1,1,0,0,0,0|2,0,0]=4 951 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [1,1,0,0,0,0|1,0,1]=4 952 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [1,1,0,0,0,0|2,0,0]=4 953 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [1,1,0,0,0,0|2,0,0]=4 954 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [1,1,0,0,0,0|1,0,1]=4 955 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [1,1,0,0,0,0|1,0,0]=3 956 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [1,1,0,0,0,0|1,0,0]=3 957 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [1,1,0,0,0,0|1,0,0]=3 958 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [1,1,0,0,0,0|1,0,0]=3 959 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [1,1,0,0,0,0|2,0,0]=4 960 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [1,1,0,0,0,0|1,0,0]=3 961 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [1,1,0,0,0,0|1,0,0]=3 962 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [1,1,0,0,0,0|2,0,0]=4 963 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [1,1,0,0,0,0|1,0,0]=3 964 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [1,1,0,0,0,0|2,0,0]=4 965 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,1,0,0,0,0|1,0,0]=3 966 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [1,1,0,0,0,0|2,0,0]=4 967 B7R0.8 CCNCS(=O)(=O)O bbcfc5d6d557b34dea0908a35a8ee7e3 [1,1,0,0,0,0|2,0,0]=4 968 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [1,1,0,0,0,0|1,0,0]=3 969 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [1,1,0,0,0,0|2,0,0]=4 970 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [1,1,0,0,0,0|2,0,0]=4 971 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [1,1,0,0,0,0|1,0,0]=3 972 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [1,1,0,0,0,0|2,0,0]=4 973 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [1,1,0,0,0,0|2,0,0]=4 974 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [1,1,0,0,0,0|2,0,0]=4 975 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [1,1,0,0,0,0|2,0,0]=4 976 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [1,1,0,0,0,0|1,0,0]=3 977 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [1,1,0,0,0,0|2,0,0]=4 978 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [1,1,0,0,0,0|2,0,0]=4 979 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [1,1,0,0,0,0|2,0,0]=4 980 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [1,1,0,0,0,0|2,0,0]=4 981 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [1,1,0,0,0,0|2,0,0]=4 982 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [1,1,0,0,0,0|1,0,0]=3 983 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [1,1,0,0,0,0|2,0,0]=4 984 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [1,1,0,0,0,0|2,0,0]=4 985 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [1,1,0,0,0,0|2,0,0]=4 986 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [1,1,0,0,0,0|2,0,0]=4 987 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [1,1,0,0,0,0|1,0,0]=3 988 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [1,1,0,0,0,0|2,0,0]=4 989 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [1,1,0,0,0,0|2,0,0]=4 990 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [1,1,0,0,0,0|2,0,0]=4 991 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [1,1,0,0,0,0|2,0,0]=4 992 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [1,1,0,0,0,0|1,0,1]=4 993 B7R0.1 CC#CCCOCC 57277b2d6042ec0ef25dc33b854150f3 [1,1,0,0,0,0|1,0,1]=4 994 B7R0.1 CC#CCNCCC 4b414b3d9a07af6bbc361621c1ca05f6 [1,1,0,0,0,0|1,0,1]=4 995 B7R0.1 CC#CCOCCC 96b5db71ecc94b22411d45119de902db [1,1,0,0,0,0|1,0,1]=4 996 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [1,1,0,0,0,0|1,0,1]=4 997 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [1,1,0,0,0,0|1,0,1]=4 998 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [1,1,0,0,0,0|1,0,0]=3 999 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [1,1,0,0,0,0|2,0,0]=4 1000 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [1,1,0,0,0,0|2,0,0]=4 1001 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [1,1,0,0,0,0|2,0,0]=4 1002 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [1,1,0,0,0,0|2,0,0]=4 1003 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [1,1,0,0,0,0|2,0,0]=4 1004 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [1,1,0,0,0,0|1,0,0]=3 1005 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [1,1,0,0,0,0|2,0,0]=4 1006 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [1,1,0,0,0,0|2,0,0]=4 1007 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [1,1,0,0,0,0|2,0,0]=4 1008 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [1,1,0,0,0,0|2,0,0]=4 1009 B7R0.1 CCCCCNCC e4fc231c21797e6191f546ff9bcbf191 [1,1,0,0,0,0|1,0,1]=4 1010 B7R0.1 CCCCCNCF ac90ce28f099294c590373d3f9f6da79 [1,1,0,0,0,0|1,0,1]=4 1011 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [1,1,0,0,0,0|1,0,1]=4 1012 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [1,1,0,0,0,0|0,0,1]=3 1013 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [1,1,0,0,0,0|0,0,1]=3 1014 B7R0.1 CCCCNCCBr 6994c0f761f70c79e3636f87821a4da7 [1,1,0,0,0,0|2,0,0]=4 1015 B7R0.1 CCCCNCCC a3b3a945f6f1baa84f39f99cc86c2768 [1,1,0,0,0,0|1,0,1]=4 1016 B7R0.1 CCCCNCCF a4a379fc89c7098446dbe8e70a8f3629 [1,1,0,0,0,0|2,0,0]=4 1017 B7R0.1 CCCCNCCI 9d533ae71c7c61157641b188cb16d262 [1,1,0,0,0,0|2,0,0]=4 1018 B7R0.1 CCCCNCCO 45e09e0eaf8e70243153c679742c268d [1,1,0,0,0,0|2,0,0]=4 1019 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [1,1,0,0,0,0|2,0,0]=4 1020 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [1,1,0,0,0,0|0,0,1]=3 1021 B7R0.1 CCCCNCSC 10583efc20422e1524a2f4955b629777 [1,1,0,0,0,0|0,1,1]=4 1022 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [1,1,0,0,0,0|1,0,1]=4 1023 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [1,1,0,0,0,0|2,0,0]=4 1024 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [1,1,0,0,0,0|2,0,0]=4 1025 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [1,1,0,0,0,0|0,0,1]=3 1026 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [1,1,0,0,0,0|0,1,1]=4 1027 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [1,1,0,0,0,0|2,0,0]=4 1028 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [1,1,0,0,0,0|2,0,0]=4 1029 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [1,1,0,0,0,0|2,0,0]=4 1030 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [1,1,0,0,0,0|0,0,1]=3 1031 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [1,1,0,0,0,0|1,0,1]=4 1032 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [1,1,0,0,0,0|0,1,1]=4 1033 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [1,1,0,0,0,0|1,0,1]=4 1034 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [1,1,0,0,0,0|2,0,0]=4 1035 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [1,1,0,0,0,0|2,0,0]=4 1036 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [1,1,0,0,0,0|2,0,0]=4 1037 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [1,1,0,0,0,0|0,0,1]=3 1038 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [1,1,0,0,0,0|0,1,1]=4 1039 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [1,1,0,0,0,0|1,0,1]=4 1040 B7R0.1 CCNCCCCCl 4d7dec7a70ffb7caf22f71709e83606c [1,1,0,0,0,0|2,0,0]=4 1041 B7R0.1 CCNCCCCO 8314b38fc58537828c26adc5093ed491 [1,1,0,0,0,0|2,0,0]=4 1042 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [1,1,0,0,0,0|2,0,0]=4 1043 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [1,1,0,0,0,0|0,0,1]=3 1044 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [1,1,0,0,0,0|0,1,1]=4 1045 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [1,1,0,0,0,0|1,0,1]=4 1046 B7R0.1 CCNCCSCC edb2f0059a33d413061b7eb66b7302b3 [1,1,0,0,0,0|2,0,0]=4 1047 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [1,1,0,0,0,0|1,0,1]=4 1048 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [1,1,0,0,0,0|1,0,1]=4 1049 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [1,1,0,0,0,0|0,0,1]=3 1050 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [1,1,0,0,0,0|0,1,1]=4 1051 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [1,1,0,0,0,0|1,0,1]=4 1052 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [1,1,0,0,0,0|1,0,1]=4 1053 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [1,1,0,0,0,0|1,0,1]=4 1054 B7R0.1 CCOCOCOC 886e60a6bdd12e955350fa9fc5f12763 [1,1,0,0,0,0|1,0,1]=4 1055 B7R0.1 CCSCCOCF 1f42e8881d9b6b5eaf1c6a145775650a [1,1,0,0,0,0|1,0,1]=4 1056 B7R0.1 COCCCNCF 0de913c50fcf952c40c1eb9acd73fe8a [1,1,0,0,0,0|1,0,1]=4 1057 B7R0.1 COCCCNCO 7f15d3e78e16ebdbf4dea7c28747923f [1,1,0,0,0,0|1,0,1]=4 1058 B7R0.1 COCCCOCF 383f82bc810c552636ded41a86a82688 [1,1,0,0,0,0|1,0,1]=4 1059 B7R0.1 COCCNCCBr 2c0ba12fa96886ef5fdb5581980e28f1 [1,1,0,0,0,0|1,0,1]=4 1060 B7R0.1 COCCNCCF 6ecb1cffa67194968eb41c79846d8012 [1,1,0,0,0,0|1,0,1]=4 1061 B7R0.1 COCCNCCI ed8d29688d82e189aba9361797d463b8 [1,1,0,0,0,0|1,0,1]=4 1062 B7R0.1 COCCNCCO fc530150283f0a9894550a64892a4dcb [1,1,0,0,0,0|1,0,1]=4 1063 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [1,1,0,0,0,0|1,0,1]=4 1064 B7R0.1 COCCNCOC 480d61e36aa567c09ff8b4ee22ba8fb7 [1,1,0,0,0,0|1,0,1]=4 1065 B7R0.1 COCCNCSC 72ab39c075daf29b6ecad1caa1c97854 [1,1,0,0,0,0|1,0,1]=4 1066 B7R0.1 COCCOCCF d9d67c9b64f4650916e8f6b281251603 [1,1,0,0,0,0|1,0,1]=4 1067 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [1,1,0,0,0,0|1,0,1]=4 1068 B7R0.1 COCCOCOC 3ee644b2e59bd74fbd558211d7299c19 [1,1,0,0,0,0|1,0,1]=4 1069 B7R0.1 COCCOCSC 5c26bae9265ce5a87c900f7aa15dfe78 [1,1,0,0,0,0|1,0,1]=4 1070 B7R0.1 COCNCCCCl e11c6750f379b7dd0f2aa8aa12ea432c [1,1,0,0,0,0|1,0,1]=4 1071 B7R0.1 COCNCCCO 514e51520c1fb8a1d3be4a389b10ee42 [1,1,0,0,0,0|1,0,1]=4 1072 B7R0.1 COCNCCSC 006b3262e1fae93890055c509edc01aa [1,1,0,0,0,0|1,0,1]=4 1073 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [1,1,0,0,0,0|1,0,1]=4 1074 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [1,1,0,0,0,0|1,0,1]=4 1075 B7R0.1 COCOCCSC 0ec0a0ffe6fa6c0de12bdad5b2c783a1 [1,1,0,0,0,0|1,0,1]=4 1076 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [1,1,0,0,0,0|1,0,1]=4 1077 B7R0.1 FCCCCOCF aa349be2c27536d4cce8f169856f8ad3 [1,1,0,0,0,0|1,0,1]=4 1078 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [1,1,0,0,0,0|1,0,1]=4 1079 B9R0.4 C=C(C)CC(=O)NCCC 35128dd5ec45d53c690e0349cab94572 [0,2,0,0,0,0|2,0,0]=4 1080 B9R0.4 CC(C)OC(=O)COCF f7410181de637c69760136afa1a62a91 [0,2,0,0,0,0|2,0,0]=4 1081 B9R0.4 CCCCC(C)OC(C)C 7d0041807bb32d7526544e4be63436cc [0,2,0,0,0,0|1,0,1]=4 1082 B9R0.4 CCCC[C@@H](C)OC(C)C f2902ac7b36ddb0c2d5e60097d1384f3 [0,2,0,0,0,0|1,0,1]=4 1083 B9R0.4 CCCC[C@H](C)OC(C)C 8664abbc4990f641117154ef08ccd4ca [0,2,0,0,0,0|1,0,1]=4 1084 B9R0.4 CCCNC(=O)/C=C(/C)\Cl 3ad290e5fb927211a192ca6a5eb42268 [0,2,0,0,0,0|2,0,0]=4 1085 B9R0.4 CCCNC(=O)/C=C(/C)\I a3f4180321854769f73290ff7d98412f [0,2,0,0,0,0|2,0,0]=4 1086 B9R0.4 CCCNC(=O)/C=C(\C)/Cl ab8b7f34026c6bfb0dbfd351bdb35df8 [0,2,0,0,0,0|2,0,0]=4 1087 B9R0.4 CCCNC(=O)C=C(C)C d425d129552ce3c7dca23fa16b981100 [0,2,0,0,0,0|2,0,0]=4 1088 B9R0.4 CCCNC(=O)C=C(C)I ef4ccd837cfd6208ecd1f7a8f75ed342 [0,2,0,0,0,0|2,0,0]=4 1089 B9R0.4 CCCNC(=O)CC(=O)C 3d765e0f91c6d37be151ce60eea0bf0d [0,2,0,0,0,0|2,0,0]=4 1090 B9R0.4 CCCNC(=O)CC(C)C 758b6e1cd25acf226be8847d4e56cf2d [0,2,0,0,0,0|2,0,0]=4 1091 B9R0.4 CCCNC(=O)CC(C)O 7110cd96b9f553bdbd25c874da6cd8e3 [0,2,0,0,0,0|2,0,0]=4 1092 B9R0.4 CCCNC(=O)CC(F)F 52c68a9d950bb2a6a33b5b1de9720b80 [0,2,0,0,0,0|2,0,0]=4 1093 B9R0.4 CCCNC(=O)CN(C)C ae0e18acfeedc54aac3915a1bc0a0d75 [0,2,0,0,0,0|2,0,0]=4 1094 B9R0.4 CCCNC(=O)C[C@@H](C)O 3cf3a463b314165c7bf9273f0f25f256 [0,2,0,0,0,0|2,0,0]=4 1095 B9R0.4 CCCNC(=O)C[C@H](C)O fa4a14e2d0b155af615e65989556a1f9 [0,2,0,0,0,0|2,0,0]=4 1096 B9R0.4 CCNCC(=O)NC(C)C d0a476cf293a50ce526d48d0080d41db [0,2,0,0,0,0|2,0,0]=4 1097 B9R0.4 CCOCC(=O)NC(C)C 18e0b25d15c2ef546bbcf6627c9ea33b [0,2,0,0,0,0|2,0,0]=4 1098 B9R0.4 CCOCC(=O)OC(C)C a46f2e33e4c4b2ce3b4ebe5c5f8af7d8 [0,2,0,0,0,0|1,0,0]=3 1099 B9R0.5 C#CCC(=O)NCCCC ba93a74075d3af473d0ae40cb1c8a7e9 [0,2,0,0,0,0|1,0,1]=4 1100 B9R0.5 C#CCCNC(=O)COC a493718bc4811424aba75655b83d6bc6 [0,2,0,0,0,0|0,0,2]=4 1101 B9R0.5 C#CCNCC(=O)COC 09bc9ef90310647b19febc33ceb08e73 [0,2,0,0,0,0|0,0,2]=4 1102 B9R0.5 C#CCNCC(=O)OCC 3caaed1b796817b3e6405fbf790c0d84 [0,2,0,0,0,0|0,0,2]=4 1103 B9R0.5 C#CCOCC(=O)COC 4d51b110f53a3738ff377e659b9d5455 [0,2,0,0,0,0|0,0,2]=4 1104 B9R0.5 C#CCOCC(=O)OCC 5491ddb425f5118c7f41ad7bdc7f8f32 [0,2,0,0,0,0|0,0,2]=4 1105 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [0,2,0,0,0,0|1,0,0]=3 1106 B9R0.5 C/C=C/C(=O)NCCCCl 72ebced048e65361aa0416f80fde7cde [0,2,0,0,0,0|2,0,0]=4 1107 B9R0.5 C/C=C/C(=O)NCCCO 7adefb77f361f1e215c63db1f5ca0742 [0,2,0,0,0,0|2,0,0]=4 1108 B9R0.5 C/C=C/C(=O)NCCOC 6e391f6495435144a973ce8834e3945b [0,2,0,0,0,0|2,0,0]=4 1109 B9R0.5 C/C=C/C(=O)NCCSC 511f725aa22409925ae3fcaac286c68d [0,2,0,0,0,0|2,0,0]=4 1110 B9R0.5 C=CCC(=O)NCCCC aa4e9cc01c944a911bc93657ec8591fa [0,2,0,0,0,0|1,0,1]=4 1111 B9R0.5 C=CCCNC(=O)COC ac90e32a3493ecd6e7c22c8335f2b22a [0,2,0,0,0,0|0,0,2]=4 1112 B9R0.5 C=CCNCC(=O)OCC 9c75fab8aca43806fda755027554c371 [0,2,0,0,0,0|0,0,2]=4 1113 B9R0.5 C=CCOCC(=O)OCC 9a263b5396d3bde89fbebf34ff6fb949 [0,2,0,0,0,0|0,0,2]=4 1114 B9R0.5 C=COC(=O)CNCCBr 5c8c7ab9e3793e247c6b7c0dc0c3d3ad [0,2,0,0,0,0|1,0,1]=4 1115 B9R0.5 C=COC(=O)CNCCC 3fcb2e78c6d37ddb589d8fb06a6c54d6 [0,2,0,0,0,0|0,0,1]=3 1116 B9R0.5 C=COC(=O)CNCCF 1864711886ed107d41f9f069f3a52f24 [0,2,0,0,0,0|1,0,1]=4 1117 B9R0.5 C=COC(=O)CNCCI b70610246e923c08e363f9d8d6a22a9d [0,2,0,0,0,0|1,0,1]=4 1118 B9R0.5 C=COC(=O)CNCCO a1eec180984048515bfe2768f3d6b9e0 [0,2,0,0,0,0|1,0,1]=4 1119 B9R0.5 C=COC(=O)CNCCS a7811feac419e0739763434f7b7270f6 [0,2,0,0,0,0|1,0,1]=4 1120 B9R0.5 C=COC(=O)COCCC 5f1ff34a229b00591eee62972bb38422 [0,2,0,0,0,0|0,0,1]=3 1121 B9R0.5 C=COC(=O)COCCF ede556e34bfc8eb6c6d6f69b0b611e07 [0,2,0,0,0,0|1,0,1]=4 1122 B9R0.5 C=COC(=O)COCCS 67cab09cb8f1036cca6d2ef62c8fe19c [0,2,0,0,0,0|1,0,1]=4 1123 B9R0.5 C=COC(=O)COCOC 24ce59484e68b6ebaae58f61a71407ff [0,2,0,0,0,0|1,0,1]=4 1124 B9R0.5 CC#CC(=O)NCCCC 41434018c71b7cd84c9c1094b4f5059d [0,2,0,0,0,0|1,0,0]=3 1125 B9R0.5 CC#CC(=O)NCCCCl 0e8b8d4c4d8eb1a08dec2f81819a520a [0,2,0,0,0,0|2,0,0]=4 1126 B9R0.5 CC#CC(=O)NCCCO f38ed9ce9dfbbc2e5e15d23111a85583 [0,2,0,0,0,0|2,0,0]=4 1127 B9R0.5 CC#CC(=O)NCCOC e109e719ec3ba55977d548da72502b53 [0,2,0,0,0,0|2,0,0]=4 1128 B9R0.5 CC#CC(=O)NCCSC d8202abac41ad881e3e466bef9502ebb [0,2,0,0,0,0|2,0,0]=4 1129 B9R0.5 CC#CCNC(=O)COC c9262f48b050b2d37b09fd849d38d12a [0,2,0,0,0,0|0,0,2]=4 1130 B9R0.5 CC=CCNC(=O)COC a1a4cd7248c5a0e045fc4c87be71c275 [0,2,0,0,0,0|0,0,2]=4 1131 B9R0.5 CCCC(=O)CNCCBr 580d9097d971fedfdfa14df158dde72d [0,2,0,0,0,0|2,0,0]=4 1132 B9R0.5 CCCC(=O)CNCCF 90b6a3d4e2b646692ac2f8be60f35cfc [0,2,0,0,0,0|2,0,0]=4 1133 B9R0.5 CCCC(=O)CNCCI e6c431c6a36f932e7e7bd540be83f7d4 [0,2,0,0,0,0|2,0,0]=4 1134 B9R0.5 CCCC(=O)CNCCO 19eaae24439cf65d8d2d752c6a63c8d7 [0,2,0,0,0,0|2,0,0]=4 1135 B9R0.5 CCCC(=O)CNCCS 1dd21d52255aa998e3f67c462a833edf [0,2,0,0,0,0|2,0,0]=4 1136 B9R0.5 CCCC(=O)COCCF 51c78131a5436c656772daa28f0121d0 [0,2,0,0,0,0|2,0,0]=4 1137 B9R0.5 CCCC(=O)COCCS 77d185d452b3bc72588d0bc7dfa35de5 [0,2,0,0,0,0|2,0,0]=4 1138 B9R0.5 CCCC(=O)COCOC 2e9034a32d4ad47f72112a5c4899eca9 [0,2,0,0,0,0|2,0,0]=4 1139 B9R0.5 CCCC(=O)NCCCCl f1d9e9d02a2632caa1296262930794c7 [0,2,0,0,0,0|2,0,0]=4 1140 B9R0.5 CCCC(=O)NCCCO 592c3668cf1954e32eae53f9d9310fe4 [0,2,0,0,0,0|2,0,0]=4 1141 B9R0.5 CCCC(=O)NCCOC d85beb1e2ae7c191540a491c38a5bdee [0,2,0,0,0,0|2,0,0]=4 1142 B9R0.5 CCCC(=O)NCCSC a7f90a8bca211f42c79fa85f13ca66c5 [0,2,0,0,0,0|2,0,0]=4 1143 B9R0.5 CCCCCC(=O)NC#N 608ac8706cb8f7927089caf9f4c8964c [0,2,0,0,0,0|1,0,1]=4 1144 B9R0.5 CCCCCC(C)OCC 730550df732f69eef1e6a549de510b2c [0,2,0,0,0,0|1,0,1]=4 1145 B9R0.5 CCCCCC(C)OCF 91cb6ddeef5e8a675eb7cdefedcad036 [0,2,0,0,0,0|1,0,1]=4 1146 B9R0.5 CCCCCN(C)COC 962ac7aa69c9adf59a4c23134026ede4 [0,2,0,0,0,0|2,0,0]=4 1147 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [0,2,0,0,0,0|1,0,1]=4 1148 B9R0.5 CCCCC[C@@H](C)OCF dddbd16c736b0cf2a41037d9959ad3e8 [0,2,0,0,0,0|1,0,1]=4 1149 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [0,2,0,0,0,0|1,0,1]=4 1150 B9R0.5 CCCCC[C@H](C)OCF 127043f0fb9c13be21bff612ac563c1b [0,2,0,0,0,0|1,0,1]=4 1151 B9R0.5 CCCCNC(=O)/C=C/Br 0dbf6af00ee33ccc94775c9b10e14f2d [0,2,0,0,0,0|1,0,1]=4 1152 B9R0.5 CCCCNC(=O)/C=C/Cl fb70afe77876110b5a0d3d6f58130074 [0,2,0,0,0,0|1,0,1]=4 1153 B9R0.5 CCCCNC(=O)/C=C/I 08fac6c7b0e84b5c53498e160a252913 [0,2,0,0,0,0|1,0,1]=4 1154 B9R0.5 CCCCNC(=O)/C=C\Br 110d3567aadc8708039726a6bf79929a [0,2,0,0,0,0|1,0,1]=4 1155 B9R0.5 CCCCNC(=O)/C=C\Cl 64b3a61ed02d229a647bad55a8000a4d [0,2,0,0,0,0|1,0,1]=4 1156 B9R0.5 CCCCNC(=O)/C=C\I dae7cd6cc453b79a863443f276a900b7 [0,2,0,0,0,0|1,0,1]=4 1157 B9R0.5 CCCCNC(=O)C#CBr 3eefe890be00b806102579b989752b89 [0,2,0,0,0,0|1,0,1]=4 1158 B9R0.5 CCCCNC(=O)C=CBr 8793bc76d4d65e4bf0ad7dc4bd382289 [0,2,0,0,0,0|1,0,1]=4 1159 B9R0.5 CCCCNC(=O)C=CI bfc7d529d3d35a1a9f3c76e20f482d83 [0,2,0,0,0,0|1,0,1]=4 1160 B9R0.5 CCCCNC(=O)CC#N 053d3ec5d1d045be31522ff85b2cf2ec [0,2,0,0,0,0|1,0,1]=4 1161 B9R0.5 CCCCNC(=O)CC=O 836473a80945117a02207b121e995b64 [0,2,0,0,0,0|1,0,1]=4 1162 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [0,2,0,0,0,0|1,0,0]=3 1163 B9R0.5 CCCCNC(=O)CCF 53b9813d116057ff8c4b15658e94e51c [0,2,0,0,0,0|1,0,0]=3 1164 B9R0.5 CCCCNC(=O)CCO 0298cd2468e4d9499261be651df2adcd [0,2,0,0,0,0|1,0,0]=3 1165 B9R0.5 CCCCNC(=O)CCS 1641ac5db70e3fc675ef1771e3defee2 [0,2,0,0,0,0|1,0,0]=3 1166 B9R0.5 CCCCNC(=O)COC 36ff378b0254a17f19e8bd23cda67723 [0,2,0,0,0,0|0,0,0]=2 1167 B9R0.5 CCCCNC(=O)CON ff8aaf07597bc421ccecffa926ce5e77 [0,2,0,0,0,0|1,0,0]=3 1168 B9R0.5 CCCCNC(=O)CSC fd9e07d4285a6169aceb5bd025ecd890 [0,2,0,0,0,0|0,1,0]=3 1169 B9R0.5 CCCCNC(=O)NC#N d445f658e640f58ae292600748b16d07 [0,2,0,0,0,0|1,0,1]=4 1170 B9R0.5 CCCCNC(C)COC 8021317d143fe74bc4de849e2a843e02 [0,2,0,0,0,0|1,0,1]=4 1171 B9R0.5 CCCCN[C@@H](C)COC cdbee656892f2d069b5a9f437e42a186 [0,2,0,0,0,0|1,0,1]=4 1172 B9R0.5 CCCCN[C@H](C)COC 0bd1a16deaecd7846b5d6903e134942d [0,2,0,0,0,0|1,0,1]=4 1173 B9R0.5 CCCCOC(=S)CCC f1235a4363bf9e2174e43a15f0090624 [0,2,0,0,0,0|1,1,0]=4 1174 B9R0.5 CCCCOC(C)COC ba4e551fe4b685878d8e23a8545ffdea [0,2,0,0,0,0|1,0,1]=4 1175 B9R0.5 CCCCO[C@@H](C)COC fdc2da5dba6e3d0a9e63de45ba95a113 [0,2,0,0,0,0|1,0,1]=4 1176 B9R0.5 CCCCO[C@H](C)COC 15bbc144a56a666747dad75b1789a610 [0,2,0,0,0,0|1,0,1]=4 1177 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [0,2,0,0,0,0|1,0,0]=3 1178 B9R0.5 CCCNCC(=O)COC 9c76efdc9995e8503c8a81dc87078b10 [0,2,0,0,0,0|0,0,0]=2 1179 B9R0.5 CCCNCC(=O)NCC ce07571aa3fa6f7b572f45c714e29f13 [0,2,0,0,0,0|1,0,0]=3 1180 B9R0.5 CCCNCC(=O)NCO 0eb1e391e229900686c61210a46d0652 [0,2,0,0,0,0|1,0,0]=3 1181 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [0,2,0,0,0,0|0,0,0]=2 1182 B9R0.5 CCCNCC(C)OCC 67b61dd333dbaac4f86976019539379e [0,2,0,0,0,0|1,0,1]=4 1183 B9R0.5 CCCNCC(O)COC 5f738e26a93bd5e6157dfb0a62e3a620 [0,2,0,0,0,0|0,0,2]=4 1184 B9R0.5 CCCNC[C@H](O)COC 6fd1326b6f8389bef3955d38e292fd6f [0,2,0,0,0,0|0,0,2]=4 1185 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [0,2,0,0,0,0|1,0,0]=3 1186 B9R0.5 CCCOCC(=O)COC 3d7dfb506e9c0757447f18e9df05797b [0,2,0,0,0,0|0,0,0]=2 1187 B9R0.5 CCCOCC(=O)NC#N f9d05328110019f4072f7170f6d394a9 [0,2,0,0,0,0|1,0,1]=4 1188 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [0,2,0,0,0,0|1,0,0]=3 1189 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [0,2,0,0,0,0|0,0,0]=2 1190 B9R0.5 CCCOCC(C)OCC a9309e87d325b6f2b1644b3d0636499f [0,2,0,0,0,0|1,0,1]=4 1191 B9R0.5 CCCOCC(C)OCF 3c217a0a0555b3f9e34d23a6269a5c80 [0,2,0,0,0,0|1,0,1]=4 1192 B9R0.5 CCCSCC(=O)NC#N e4406987472062efb0b81eae1b839675 [0,2,0,0,0,0|1,0,1]=4 1193 B9R0.5 CCNC(=O)CNCCBr eba0f553ee6b07591a41e44f3a5aa8e2 [0,2,0,0,0,0|2,0,0]=4 1194 B9R0.5 CCNC(=O)CNCCF 0f5dd9d468b31da44c24ebb652eb530c [0,2,0,0,0,0|2,0,0]=4 1195 B9R0.5 CCNC(=O)CNCCI 90892e8fd08d23d8cb8012740b700d11 [0,2,0,0,0,0|2,0,0]=4 1196 B9R0.5 CCNC(=O)CNCCO 442a95bc56d02077e9b0f659a35d10bf [0,2,0,0,0,0|2,0,0]=4 1197 B9R0.5 CCNC(=O)CNCCS 336193fa38be46171431893753910df2 [0,2,0,0,0,0|2,0,0]=4 1198 B9R0.5 CCNC(=O)CNCOC 418fc9ea4e66286d14d012781355c640 [0,2,0,0,0,0|2,0,0]=4 1199 B9R0.5 CCNC(=O)CNCSC 581cd0eb74e9a8a8bdc513b22d20213a [0,2,0,0,0,0|2,0,0]=4 1200 B9R0.5 CCNC(=O)COCCF 812c23840362a8ca0725db39d692bb07 [0,2,0,0,0,0|2,0,0]=4 1201 B9R0.5 CCNC(=O)COCCS 72830f9544a815a06bd3444d77122c12 [0,2,0,0,0,0|2,0,0]=4 1202 B9R0.5 CCNC(=O)COCOC f4b52e7b701729895cf1ba81b82493e5 [0,2,0,0,0,0|2,0,0]=4 1203 B9R0.5 CCNC(=O)COCSC 36a6937f66bbc3380df8d44f8b9020d8 [0,2,0,0,0,0|2,0,0]=4 1204 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [0,2,0,0,0,0|0,0,0]=2 1205 B9R0.5 CCOC(=O)CCNC#N 2970a7082d564ca9a0ac60d8e6dde822 [0,2,0,0,0,0|1,0,1]=4 1206 B9R0.5 CCOC(=O)CCNC=O f014a3a016d6b2ab3edecfa8ad9e1400 [0,2,0,0,0,0|1,0,1]=4 1207 B9R0.5 CCOC(=O)CCNCF dc0e8e938f3e0f9376067101916fab11 [0,2,0,0,0,0|1,0,0]=3 1208 B9R0.5 CCOC(=O)CCNCO 0d43318aba0286304d28e6f5f875b75e [0,2,0,0,0,0|1,0,0]=3 1209 B9R0.5 CCOC(=O)CCOCF b923097280e6d745523067d0f7821723 [0,2,0,0,0,0|1,0,0]=3 1210 B9R0.5 CCOC(=O)CNCC#N 57c0a5d0ba92ba22cb60b1db3fae37f4 [0,2,0,0,0,0|1,0,1]=4 1211 B9R0.5 CCOC(=O)CNCC=O 13639f7e3d69faa2001497754bfed8b5 [0,2,0,0,0,0|1,0,1]=4 1212 B9R0.5 CCOC(=O)CNCCBr 2d8ed3ea34766b7d343241f665b80229 [0,2,0,0,0,0|1,0,0]=3 1213 B9R0.5 CCOC(=O)CNCCF 99d39e110ac23618c63f1317b2282cce [0,2,0,0,0,0|1,0,0]=3 1214 B9R0.5 CCOC(=O)CNCCI 75072515d706cd5c15a349fb418110fa [0,2,0,0,0,0|1,0,0]=3 1215 B9R0.5 CCOC(=O)CNCCO a3891831c63b1d5fc3c5a1b6e875e04a [0,2,0,0,0,0|1,0,0]=3 1216 B9R0.5 CCOC(=O)CNCCS 2d2d40dfd5cc8614b9490097a11bc9af [0,2,0,0,0,0|1,0,0]=3 1217 B9R0.5 CCOC(=O)CNCOC 3338587ded14e7c228302d0aec1db622 [0,2,0,0,0,0|1,0,0]=3 1218 B9R0.5 CCOC(=O)CNCSC 83cee1aea68795d140c24e1cd1c34d73 [0,2,0,0,0,0|1,0,0]=3 1219 B9R0.5 CCOC(=O)COCC#N c09a17fd9d8768b76ffa5a569bc14f50 [0,2,0,0,0,0|1,0,1]=4 1220 B9R0.5 CCOC(=O)COCC=O 934135784a2711e60bdbd22faf98fe13 [0,2,0,0,0,0|1,0,1]=4 1221 B9R0.5 CCOC(=O)COCCF 8ab9a071055414651ab59279d1d89a94 [0,2,0,0,0,0|1,0,0]=3 1222 B9R0.5 CCOC(=O)COCCS 5b2c52a4049396ac0e633dc62c60b2f2 [0,2,0,0,0,0|1,0,0]=3 1223 B9R0.5 CCOC(=O)COCOC cae80a72de3b9dd4c77bad68b601ad39 [0,2,0,0,0,0|1,0,0]=3 1224 B9R0.5 CCOC(=O)COCSC d1c9bb1a8c14847f19476af8bd4e260f [0,2,0,0,0,0|1,0,0]=3 1225 B9R0.5 CCOCCC(=O)NC#N 6b23dd2c785a8c4581fd533000163a32 [0,2,0,0,0,0|1,0,1]=4 1226 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [0,2,0,0,0,0|0,0,0]=2 1227 B9R0.5 CCOCCN(C)COC ed0cacbb8656a2a673ac8810e565cd9f [0,2,0,0,0,0|2,0,0]=4 1228 B9R0.5 CCSCCC(=O)NC#N 7e230a024776180aa692714162a233fe [0,2,0,0,0,0|1,0,1]=4 1229 B9R0.5 COCC(=O)CNCC#N 84d31d1ea3c0ebd9a1acc2b01a378755 [0,2,0,0,0,0|1,0,1]=4 1230 B9R0.5 COCC(=O)CNCCI de001d33d2a83ecbcdbf60168bdb71b4 [0,2,0,0,0,0|1,0,0]=3 1231 B9R0.5 COCC(=O)CNCCO 2826556ba2b391e97043cba9d2c76ebb [0,2,0,0,0,0|1,0,0]=3 1232 B9R0.5 COCC(=O)CNCCS 998c86e7067a208995617aaf569ee24d [0,2,0,0,0,0|1,0,0]=3 1233 B9R0.5 COCC(=O)COCC#N 1e6c1323799853bf48d83e7b4c9d41c1 [0,2,0,0,0,0|1,0,1]=4 1234 B9R0.5 COCC(=O)COCCS 4c50ce8dad8eb47119f9c3bca158fc1a [0,2,0,0,0,0|1,0,0]=3 1235 B9R0.5 COCC(=O)NCCC#N 4d01199aa77a8f287cf546255125fe45 [0,2,0,0,0,0|1,0,1]=4 1236 B9R0.5 COCC(=O)NCCCCl 9b8e00a91bd11b43b2cced22d7f8490f [0,2,0,0,0,0|1,0,0]=3 1237 B9R0.5 COCC(=O)NCCCO 8066d497a25e88f2387cdf27e9376a33 [0,2,0,0,0,0|1,0,0]=3 1238 B9R0.5 COCC(=O)NCCON daa0b92b382c41955505069479aa56db [0,2,0,0,0,0|2,0,0]=4 1239 B9R0.5 COCC(=O)NCCSC ae9802b73da9588e64754d62c956dbe2 [0,2,0,0,0,0|1,0,0]=3 1240 B9R0.5 COCCCC(=O)NC#N 4f7e21515e1951d2c5f437464275b88d [0,2,0,0,0,0|1,0,1]=4 1241 B9R0.5 COCCCN(C)COC e60475db840b77d0bd3b4096252bda9a [0,2,0,0,0,0|2,0,0]=4 1242 B9R0.5 COCCNC(=O)CCF 703c6442db6e4c16b32cf0385fe1f071 [0,2,0,0,0,0|2,0,0]=4 1243 B9R0.5 COCCNC(=O)CCO da506b7eb06569e31b2bdbe6c4e1e62a [0,2,0,0,0,0|2,0,0]=4 1244 B9R0.5 COCCNC(=O)CCS b8ee435c0e502f7ec824944f584c26af [0,2,0,0,0,0|2,0,0]=4 1245 B9R0.5 COCCNC(=O)COC b53dbf929afbe9b06300c313013c1089 [0,2,0,0,0,0|1,0,0]=3 1246 B9R0.5 COCCNC(=O)CON e64f36108eff0def1c33c6738bec620e [0,2,0,0,0,0|2,0,0]=4 1247 B9R0.5 COCCNC(=O)CSC 3a940bbcc690a26481b40d716f51d75b [0,2,0,0,0,0|1,1,0]=4 1248 B9R0.5 COCN(C)CCCCO 4cd66c5afcea0d08088e6a3f9b04a8a7 [0,2,0,0,0,0|2,0,0]=4 1249 B9R0.5 COCOCC(=O)COC 7449521e3687d4ca34f0ee79710cdd82 [0,2,0,0,0,0|1,0,0]=3 1250 B9R0.5 CSCC(=O)NCCCCl f8e5807b04533e1f0294eb15b05b589e [0,2,0,0,0,0|1,1,0]=4 1251 B9R0.5 CSCC(=O)NCCCO 5640a773b24a2079e88c1538d74a13f3 [0,2,0,0,0,0|1,1,0]=4 1252 B9R0.5 CSCCCC(=O)NC#N 809bb9216624e85d23b4ec47938a3aba [0,2,0,0,0,0|1,0,1]=4 1253 B9R0.5 CSCCNC(=O)CCF 976855bf6bbc92279851c6db72b3fe06 [0,2,0,0,0,0|2,0,0]=4 1254 B9R0.5 CSCCNC(=O)CCO 43f57de6b29a2d1d41363767bdf0c9f1 [0,2,0,0,0,0|2,0,0]=4 1255 B9R0.5 CSCCNC(=O)CCS cc2a240397388430a40e2a34c43c5050 [0,2,0,0,0,0|2,0,0]=4 1256 B9R0.5 CSCCNC(=O)CON fe5786406220ccbcd54bd35905f73b29 [0,2,0,0,0,0|2,0,0]=4 1257 B9R0.5 CSCCNC(=O)CSC 2dbace4ea8ec9c7a8b0a6a20b93d81ea [0,2,0,0,0,0|1,1,0]=4 1258 B9R0.5 N#CNC(=O)CCCCF ace8e80e8324c85ff771b505e2ab04a9 [0,2,0,0,0,0|1,0,1]=4 1259 B9R0.5 N#CNC(=O)CCCCO 37111c2c43f9cdec6bf59ef45e8c2f04 [0,2,0,0,0,0|1,0,1]=4 1260 B9R0.5 N#CNC(=O)CCCCS 30b341b20ba8b9de48210c99ee02e378 [0,2,0,0,0,0|1,0,1]=4 1261 B9R0.5 NOCC(=O)NCCCCl 534011695b8fa71c354e1d9e9bb75b65 [0,2,0,0,0,0|2,0,0]=4 1262 B9R0.5 NOCC(=O)NCCCO a92bfea9c5f926aa654e629afce28ec3 [0,2,0,0,0,0|2,0,0]=4 1263 B9R0.5 O=C(CCF)NCCCCl 450f9e397437565bfe33b39b053c4245 [0,2,0,0,0,0|2,0,0]=4 1264 B9R0.5 O=C(CCF)NCCCO 3c99316c0047228a6d04ddef64744a30 [0,2,0,0,0,0|2,0,0]=4 1265 B9R0.5 O=C(CCO)NCCCCl abeaa24b07e6d3bdfe3ff6d05860a8be [0,2,0,0,0,0|2,0,0]=4 1266 B9R0.5 O=C(CCO)NCCCO 2d4903d2493c9af6a68704182db4d55c [0,2,0,0,0,0|2,0,0]=4 1267 B9R0.5 O=C(CCS)NCCCCl 5d4cbf1d3f8d26cc0fcfe1598b77ca0e [0,2,0,0,0,0|2,0,0]=4 1268 B9R0.5 O=C(CCS)NCCCO d39ac9fd8653d19eae81484da48b1f73 [0,2,0,0,0,0|2,0,0]=4 1269 B9R0.5 O=C(CNCCBr)NCO 8a4ef0e940cd180edb41a03dd112cfb6 [0,2,0,0,0,0|2,0,0]=4 1270 B9R0.5 O=C(CNCCF)NCO 686f6c2258f206c3d0cc4f6e5b2bdd64 [0,2,0,0,0,0|2,0,0]=4 1271 B9R0.5 O=C(CNCCI)NCO d860f7f6a4cd71eaa2ec3210d2610844 [0,2,0,0,0,0|2,0,0]=4 1272 B9R0.5 O=C(CNCCO)NCO d770621adfcecfe087926cb2eca6ebfc [0,2,0,0,0,0|2,0,0]=4 1273 B9R0.5 O=C(CNCCS)NCO ef03bbcb74c5d1041da25250cdf53fa0 [0,2,0,0,0,0|2,0,0]=4 1274 B9R0.8 C#CC(=O)N(C)CCCC 982193d7698117672f4d7e3567180a56 [0,2,0,0,0,0|1,0,1]=4 1275 B9R0.8 C#CCNC(C)C(=O)OC 79493a8714d347ee0d461b9b042951bb [0,2,0,0,0,0|0,0,2]=4 1276 B9R0.8 C#CCN[C@@H](C)C(=O)OC 8b8f97a83c723d443b206638bfb34ea5 [0,2,0,0,0,0|0,0,2]=4 1277 B9R0.8 C#CCN[C@H](C)C(=O)OC 86cd9bde80b45cd85e071a58d37ec0b4 [0,2,0,0,0,0|0,0,2]=4 1278 B9R0.8 C#CCOC(C)C(=O)OC cd145511d3569e22f0340b1c4bdbc77e [0,2,0,0,0,0|0,0,2]=4 1279 B9R0.8 C#CCO[C@@H](C)C(=O)OC 14e66cc1de076cf8124483d618acb933 [0,2,0,0,0,0|0,0,2]=4 1280 B9R0.8 C#CCO[C@H](C)C(=O)OC 9cd4c2dd8efdf42c441a65cb6361db43 [0,2,0,0,0,0|0,0,2]=4 1281 B9R0.8 C/C=C(/C)\C(=O)NCCC 76bee184509c6b407a5f278dad37cd89 [0,2,0,0,0,0|2,0,0]=4 1282 B9R0.8 C/C=C(\Br)/C(=O)NCCC 6ac93f175cf18b4a0f6eef070e4cfa24 [0,2,0,0,0,0|2,0,0]=4 1283 B9R0.8 C/C=C(\C)/C(=O)NCCC 8612f7fe245bdda74a48ef20b2ceffdb [0,2,0,0,0,0|2,0,0]=4 1284 B9R0.8 C/C=C(\Cl)/C(=O)NCCC 6736ed1a11a628b0b687c7dc68880baf [0,2,0,0,0,0|2,0,0]=4 1285 B9R0.8 C/C=C(\O)/C(=O)NCCC 23ea8aa451a9786ffb4e55e9ca0b886c [0,2,0,0,0,0|2,0,0]=4 1286 B9R0.8 C=C(CC)C(=O)NCCC 198297579d2c46e6f527f9db79959810 [0,2,0,0,0,0|2,0,0]=4 1287 B9R0.8 C=C(CO)C(=O)NCCC c3504c3ea7e29f01a12531c42d19d98e [0,2,0,0,0,0|2,0,0]=4 1288 B9R0.8 C=C(COCC)C(=O)OC ae9c69942d2175975ce6919e23e76991 [0,2,0,0,0,0|0,0,1]=3 1289 B9R0.8 C=C(COCF)C(=O)OC 9fb9e20113e074bcf1b9aa06545d64b4 [0,2,0,0,0,0|1,0,1]=4 1290 B9R0.8 C=CC(=O)N(C)CCCC b6746789bae1db9fe64148b7a62e68a4 [0,2,0,0,0,0|1,0,1]=4 1291 B9R0.8 C=CCOC(C)C(=O)OC 0a7875fb2a25b273f84335b6e58236de [0,2,0,0,0,0|0,0,2]=4 1292 B9R0.8 C=CCO[C@@H](C)C(=O)OC 88d79d5d7d17fe2b83159311c71ded61 [0,2,0,0,0,0|0,0,2]=4 1293 B9R0.8 C=CCO[C@H](C)C(=O)OC d121fcdbf30bfc10a7ac2529b9eaad73 [0,2,0,0,0,0|0,0,2]=4 1294 B9R0.8 CC=C(C)C(=O)NCCC 9666b21f195424042b6e24bf8eb9f5b9 [0,2,0,0,0,0|2,0,0]=4 1295 B9R0.8 CCC(=O)C(C)NCCBr 64e34f4df5f4e8d1bef3f4978862f1f8 [0,2,0,0,0,0|2,0,0]=4 1296 B9R0.8 CCC(=O)C(C)NCCF 5e70f984eb2d5dc4c1903fcb0a3e2f41 [0,2,0,0,0,0|2,0,0]=4 1297 B9R0.8 CCC(=O)C(C)NCCI bc4fd901bdb585c117088feb170c7ea7 [0,2,0,0,0,0|2,0,0]=4 1298 B9R0.8 CCC(=O)C(C)NCCO a6ca7b75b4dcee243dcdf60254103368 [0,2,0,0,0,0|2,0,0]=4 1299 B9R0.8 CCC(=O)C(C)NCCS bb59428fe74c12422654a92f73d8b77f [0,2,0,0,0,0|2,0,0]=4 1300 B9R0.8 CCC(=O)C(C)OCCF a2a3e7db9ccfd3c538c971c8b56be4b0 [0,2,0,0,0,0|2,0,0]=4 1301 B9R0.8 CCC(=O)C(C)OCCS 972e0b806873bc366e31ae5f8572a7b3 [0,2,0,0,0,0|2,0,0]=4 1302 B9R0.8 CCC(=O)C(C)OCOC 3addba24d482e33b3f3ace5923030d28 [0,2,0,0,0,0|2,0,0]=4 1303 B9R0.8 CCC(=O)N(C)CCCO abe1c532feffa5d924432cc826e9ba1a [0,2,0,0,0,0|2,0,0]=4 1304 B9R0.8 CCC(=O)N(C)CCOC f7bd9d478d8c782d3736c126b1486194 [0,2,0,0,0,0|2,0,0]=4 1305 B9R0.8 CCC(=O)N(C)CCSC aab6c2a6f5f967173dcbf121b5f2b04a [0,2,0,0,0,0|2,0,0]=4 1306 B9R0.8 CCCCC(=O)N(C)CC 3b76ee884ca3badac26f8203708e917a [0,2,0,0,0,0|1,0,0]=3 1307 B9R0.8 CCCCN(C)C(=O)C=O ed88baf3777d406fb62edc639f2ad7fc [0,2,0,0,0,0|2,0,0]=4 1308 B9R0.8 CCCCN(C)C(=O)CC 0e002209ec811d39c4d1fc3cb831356f [0,2,0,0,0,0|1,0,0]=3 1309 B9R0.8 CCCCN(C)C(=O)CF f74557b45a03626a8ff166c34b446fd4 [0,2,0,0,0,0|2,0,0]=4 1310 B9R0.8 CCCCN(C)C(=O)CO 4ba88839945a674ab9ac3fbe8c51fb1c [0,2,0,0,0,0|2,0,0]=4 1311 B9R0.8 CCCCN(C)C(=O)CS 062af0d1684fb716d13d17c60980012b [0,2,0,0,0,0|2,0,0]=4 1312 B9R0.8 CCCNC(=O)C(=O)CC 50c3528e2a3a36795036ff6fd39f19ea [0,2,0,0,0,0|1,0,1]=4 1313 B9R0.8 CCCNC(=O)C(=O)CS f77a300a00a8626828cedcc47e555849 [0,2,0,0,0,0|2,0,0]=4 1314 B9R0.8 CCCNC(=O)C(=O)NC e46f12d3c545490ec9dbfc1a136b4b02 [0,2,0,0,0,0|1,0,1]=4 1315 B9R0.8 CCCNC(=O)C(=O)OC 4b33c548ce70d1a847225c6eb880f588 [0,2,0,0,0,0|0,0,1]=3 1316 B9R0.8 CCCNC(=O)C(C)OC 009dd3829fd7f640327de48ee647ac3e [0,2,0,0,0,0|1,0,0]=3 1317 B9R0.8 CCCNC(=O)C(C)SC c1cd647c94c4a028f65708b4f9b40b01 [0,2,0,0,0,0|1,1,0]=4 1318 B9R0.8 CCCNC(=O)C(O)CC edd04219b33ab5e22cf9bff2adb8263b [0,2,0,0,0,0|2,0,0]=4 1319 B9R0.8 CCCNC(=O)C(O)CO d7c655595f96eab9d65b9b07299f3143 [0,2,0,0,0,0|2,0,0]=4 1320 B9R0.8 CCCNC(=O)N(C)CC 8cc4e3845201ed6a5f54aeb0c58369f2 [0,2,0,0,0,0|2,0,0]=4 1321 B9R0.8 CCCNC(=O)[C@@H](C)OC f19ba5ac19918fafa2b05b77a0c30d45 [0,2,0,0,0,0|1,0,0]=3 1322 B9R0.8 CCCNC(=O)[C@@H](O)CC 6213de286f3cc084357619621a240c57 [0,2,0,0,0,0|2,0,0]=4 1323 B9R0.8 CCCNC(=O)[C@@H](O)CO cddf6fa28ced77253bf372319fed5d9e [0,2,0,0,0,0|2,0,0]=4 1324 B9R0.8 CCCNC(=O)[C@@H](S)CC 307adf8ab625a0844c694fbfab2ae1cc [0,2,0,0,0,0|2,0,0]=4 1325 B9R0.8 CCCNC(=O)[C@H](C)OC 2e8ae98230847236ad2d28191ce3bb9e [0,2,0,0,0,0|1,0,0]=3 1326 B9R0.8 CCCNC(=O)[C@H](O)CC af51f60b56be4879c2275bcf120b5462 [0,2,0,0,0,0|2,0,0]=4 1327 B9R0.8 CCCNC(=O)[C@H](O)CF c398a2eaadc782e2e0bcfee633a2e30d [0,2,0,0,0,0|2,0,0]=4 1328 B9R0.8 CCCNC(C)C(=O)CC 0217f82457b5f9eb91d7c99d41f3f7e0 [0,2,0,0,0,0|1,0,0]=3 1329 B9R0.8 CCCNC(C)C(=O)NC 7e671fb821570ee51777de2cb4346876 [0,2,0,0,0,0|1,0,0]=3 1330 B9R0.8 CCCNC(C)C(=O)OC 31247040e57fcd82f8a5006ea35f44b3 [0,2,0,0,0,0|0,0,0]=2 1331 B9R0.8 CCCN[C@@H](C)C(=O)OC 59d491ac2868b6f8a0c3d1e8728d0ebe [0,2,0,0,0,0|0,0,0]=2 1332 B9R0.8 CCCN[C@H](C)C(=O)OC 341714f23671a6f279f2ba9d2fc394e9 [0,2,0,0,0,0|0,0,0]=2 1333 B9R0.8 CCCOC(C)C(=O)CC 8ed9139bb3e33585a0fa3a410f80c3d4 [0,2,0,0,0,0|1,0,0]=3 1334 B9R0.8 CCCOC(C)C(=O)NC 6c6db500b3d123e7885d4c8a3542da86 [0,2,0,0,0,0|1,0,0]=3 1335 B9R0.8 CCCOC(C)C(=O)OC 6aeb6cf87a11cad68a57c617fd4dd6b3 [0,2,0,0,0,0|0,0,0]=2 1336 B9R0.8 CCCOC(C)C(C)OC fd3176827a21545dd285f6fc06157a6f [0,2,0,0,0,0|1,0,1]=4 1337 B9R0.8 CCCO[C@@H](C)C(=O)OC 74882931e69b82142f87fd9cd5771d40 [0,2,0,0,0,0|0,0,0]=2 1338 B9R0.8 CCCO[C@H](C)C(=O)OC df7cac25b325230b3fd4729465a84aae [0,2,0,0,0,0|0,0,0]=2 1339 B9R0.8 CCN(C)C(=O)CCCF 71a0c344902e76af27c94c81ecfb5689 [0,2,0,0,0,0|2,0,0]=4 1340 B9R0.8 CCN(C)C(=O)CCCS ebcb8168812b12d3e6201ff6520bbfde [0,2,0,0,0,0|2,0,0]=4 1341 B9R0.8 CCN(C)C(=O)CCOC 12efcb8903fa8774b65e426d72faaa46 [0,2,0,0,0,0|2,0,0]=4 1342 B9R0.8 CCN(C)C(=O)CCSC fb6bfe34974fe6f4d63bc1e3eca693e5 [0,2,0,0,0,0|2,0,0]=4 1343 B9R0.8 CCNCC(=O)N(C)CC 5cf52a07cf1f87dade5004287639de93 [0,2,0,0,0,0|2,0,0]=4 1344 B9R0.8 CCNCC(C)C(=O)OC 23788628878427ebf06f8ab1848fc209 [0,2,0,0,0,0|0,0,0]=2 1345 B9R0.8 CCOC=C(F)C(=O)OC 8533dc5da2314954488a7df259a72902 [0,2,0,0,0,0|0,0,2]=4 1346 B9R0.8 CCOCC(=O)N(C)CC 3add8cdab6a5ad857d619a20fc9f3f22 [0,2,0,0,0,0|2,0,0]=4 1347 B9R0.8 CCOCC(C)C(=O)OC 80236c9332b15389a08a7441e9591cd6 [0,2,0,0,0,0|0,0,0]=2 1348 B9R0.8 CCOCC(F)C(=O)OC 293289f16cf9b946a849bc2001cde08d [0,2,0,0,0,0|0,0,0]=2 1349 B9R0.8 CCOC[C@@H](C)C(=O)OC 906e0220267f0d94eef2fb7d2be7e97d [0,2,0,0,0,0|0,0,0]=2 1350 B9R0.8 CCOC[C@H](C)C(=O)OC d76376f8be763bf61f075f3cd3189478 [0,2,0,0,0,0|0,0,0]=2 1351 B9R0.8 CCSCC(=O)N(C)CC 0877064f4b888cfcb3222fa75ee19001 [0,2,0,0,0,0|2,0,0]=4 1352 B9R0.8 CNC(=O)C(C)NCCBr 04d70022f61dc3985f03392a1ed02fef [0,2,0,0,0,0|2,0,0]=4 1353 B9R0.8 CNC(=O)C(C)NCCF 6975bc8f18a0b322fa3dad951c9d2ede [0,2,0,0,0,0|2,0,0]=4 1354 B9R0.8 CNC(=O)C(C)NCCI f861448d15ed8e9fc626cc94e80002ed [0,2,0,0,0,0|2,0,0]=4 1355 B9R0.8 CNC(=O)C(C)NCCO 6f83d014da645ae22e5c0822e45b17b2 [0,2,0,0,0,0|2,0,0]=4 1356 B9R0.8 CNC(=O)C(C)NCCS 8ec31e91c5f181165dde530c6dd4fb83 [0,2,0,0,0,0|2,0,0]=4 1357 B9R0.8 CNC(=O)C(C)NCOC f457961c38fd2aae6d29e1b3fd385826 [0,2,0,0,0,0|2,0,0]=4 1358 B9R0.8 CNC(=O)C(C)NCSC ea1716faf340f1818806a7abcc0c6840 [0,2,0,0,0,0|2,0,0]=4 1359 B9R0.8 CNC(=O)C(F)NCCI 5c016cd351927b7b38c514bcad2b80ee [0,2,0,0,0,0|2,0,0]=4 1360 B9R0.8 COC(=O)C(=O)NCCBr 8767aa6d98ff9d853f8410f1b29b8d95 [0,2,0,0,0,0|1,0,1]=4 1361 B9R0.8 COC(=O)C(=O)NCCF 7400fc8b15c2ce19bc52ed1c216b9ad5 [0,2,0,0,0,0|1,0,1]=4 1362 B9R0.8 COC(=O)C(=O)NCCI 0df42588091d055b1188e4ae0243eb0c [0,2,0,0,0,0|1,0,1]=4 1363 B9R0.8 COC(=O)C(=O)NCCO c95a2a1ebbe11de2b9a41a25c915d3ee [0,2,0,0,0,0|1,0,1]=4 1364 B9R0.8 COC(=O)C(=O)NCCS df5b83bbed2d7e5f3575f51f891b322f [0,2,0,0,0,0|1,0,1]=4 1365 B9R0.8 COC(=O)C(C)CNC#N 47351a0c5ed270af094358da8ef45703 [0,2,0,0,0,0|1,0,1]=4 1366 B9R0.8 COC(=O)C(C)CNC=O 08ab41b0f2d4b1534c0f9bd051c36c82 [0,2,0,0,0,0|1,0,1]=4 1367 B9R0.8 COC(=O)C(C)CNCF cb798ae47354359e4aa3ce08e5780b21 [0,2,0,0,0,0|1,0,0]=3 1368 B9R0.8 COC(=O)C(C)CNCO 39ae0c3a7f42291995fad179d22a5a37 [0,2,0,0,0,0|1,0,0]=3 1369 B9R0.8 COC(=O)C(C)COCF 44c811abb8c01f8301de11413ac270b8 [0,2,0,0,0,0|1,0,0]=3 1370 B9R0.8 COC(=O)C(C)NCC#N f08d4fdbcc4eb133ab632275c153f6a3 [0,2,0,0,0,0|1,0,1]=4 1371 B9R0.8 COC(=O)C(C)NCCBr 318217e792ebb1d973731bba243d49af [0,2,0,0,0,0|1,0,0]=3 1372 B9R0.8 COC(=O)C(C)NCCF 71d141bda7d2e6224ae3a7dfa1cc21b5 [0,2,0,0,0,0|1,0,0]=3 1373 B9R0.8 COC(=O)C(C)NCCI 808cf0c74c9ef45588975ce10780d025 [0,2,0,0,0,0|1,0,0]=3 1374 B9R0.8 COC(=O)C(C)NCCO 3704bd53df6df337c4b06e83d714ea07 [0,2,0,0,0,0|1,0,0]=3 1375 B9R0.8 COC(=O)C(C)NCCS d967f38e4459ed498d224e4b3cdd61d6 [0,2,0,0,0,0|1,0,0]=3 1376 B9R0.8 COC(=O)C(C)OCC#N b8c7a08fa202e0cca2d3921c24270ded [0,2,0,0,0,0|1,0,1]=4 1377 B9R0.8 COC(=O)C(C)OCC=O 544d16fbbef4927eadcf41fbbdf31009 [0,2,0,0,0,0|1,0,1]=4 1378 B9R0.8 COC(=O)C(C)OCCF 100059756fd900098c62556a2ae1ce35 [0,2,0,0,0,0|1,0,0]=3 1379 B9R0.8 COC(=O)C(C)OCCS e7025bf903a8d5f820d0296de478345d [0,2,0,0,0,0|1,0,0]=3 1380 B9R0.8 COC(=O)C(C)OCSC ebd918713d697a3d130a3e5b592f95ea [0,2,0,0,0,0|1,0,0]=3 1381 B9R0.8 COC(=O)C(F)COCF 2dc6959195a5fe8d4df94c060794b142 [0,2,0,0,0,0|1,0,0]=3 1382 B9R0.8 COC(=O)C(O)CNC#N f3ec49120b183617e89509191346e178 [0,2,0,0,0,0|1,0,1]=4 1383 B9R0.8 COC(=O)[C@@H](C)CNC#N d020303d424b8630e827e3884d162e09 [0,2,0,0,0,0|1,0,1]=4 1384 B9R0.8 COC(=O)[C@@H](C)COCF 1a2bfc633e0045cecdf11723a1d5a8ff [0,2,0,0,0,0|1,0,0]=3 1385 B9R0.8 COC(=O)[C@@H](C)NCC#N 9a1a982e5ecc8763e7fd5f330da8c87a [0,2,0,0,0,0|1,0,1]=4 1386 B9R0.8 COC(=O)[C@@H](C)NCCBr a7727686203549a3c6c9f0e726c31918 [0,2,0,0,0,0|1,0,0]=3 1387 B9R0.8 COC(=O)[C@@H](C)NCCF 854f6045fdda5f63c114321a012dcb77 [0,2,0,0,0,0|1,0,0]=3 1388 B9R0.8 COC(=O)[C@@H](C)NCCI bff6d9e508b7c6d11972d1a2df59cf2b [0,2,0,0,0,0|1,0,0]=3 1389 B9R0.8 COC(=O)[C@@H](C)NCCO b68c9ce4d70e10c92b29d39f736b232c [0,2,0,0,0,0|1,0,0]=3 1390 B9R0.8 COC(=O)[C@@H](C)NCCS 16fd58839d6241df4620a33b0b32294f [0,2,0,0,0,0|1,0,0]=3 1391 B9R0.8 COC(=O)[C@@H](C)OCC#N 2d5df1c12733f602f863ea4b764b26eb [0,2,0,0,0,0|1,0,1]=4 1392 B9R0.8 COC(=O)[C@@H](C)OCC=O 3fa6ef2247221ceccdf82915172d9dd4 [0,2,0,0,0,0|1,0,1]=4 1393 B9R0.8 COC(=O)[C@@H](C)OCCF d1c1991f25a8b884548cfd60d33876dd [0,2,0,0,0,0|1,0,0]=3 1394 B9R0.8 COC(=O)[C@@H](C)OCCS 9ef70f4f282a66cce9dfb1e835575055 [0,2,0,0,0,0|1,0,0]=3 1395 B9R0.8 COC(=O)[C@@H](C)OCSC 28e79a44863d047cc528276a78c0c9cd [0,2,0,0,0,0|1,0,0]=3 1396 B9R0.8 COC(=O)[C@H](C)CNC#N 71434f13b9fe517e9aa675c0bf6dfd95 [0,2,0,0,0,0|1,0,1]=4 1397 B9R0.8 COC(=O)[C@H](C)COCF 2f05fad9d2d30bccec9db2790e196eb9 [0,2,0,0,0,0|1,0,0]=3 1398 B9R0.8 COC(=O)[C@H](C)NCC#N e11abdcf62651e521fc666960c5a413f [0,2,0,0,0,0|1,0,1]=4 1399 B9R0.8 COC(=O)[C@H](C)NCCBr 931d0ff08d117885f89eb4b7587512d9 [0,2,0,0,0,0|1,0,0]=3 1400 B9R0.8 COC(=O)[C@H](C)NCCF 74e88c5906e78f07303f636bab0e6889 [0,2,0,0,0,0|1,0,0]=3 1401 B9R0.8 COC(=O)[C@H](C)NCCI 8a19482f865475e7e3188051cf1bf197 [0,2,0,0,0,0|1,0,0]=3 1402 B9R0.8 COC(=O)[C@H](C)NCCO cdd55a005482a8e8a4c2e356ff4de70b [0,2,0,0,0,0|1,0,0]=3 1403 B9R0.8 COC(=O)[C@H](C)NCCS 908f3e3fb039ce6a81955ab5f0462302 [0,2,0,0,0,0|1,0,0]=3 1404 B9R0.8 COC(=O)[C@H](C)OCC#N ab508d98c49678dbcfcdfbef7a0754e0 [0,2,0,0,0,0|1,0,1]=4 1405 B9R0.8 COC(=O)[C@H](C)OCC=O 2b1944f43b7a0d9412d824c87b148e35 [0,2,0,0,0,0|1,0,1]=4 1406 B9R0.8 COC(=O)[C@H](C)OCCF 29fbfe09a06b54c89987b94c571cc4e4 [0,2,0,0,0,0|1,0,0]=3 1407 B9R0.8 COC(=O)[C@H](C)OCCS cacca195083b683b3e20b6ded7274a88 [0,2,0,0,0,0|1,0,0]=3 1408 B9R0.8 COC(=O)[C@H](C)OCSC 18a62ed2db31e4b687bb63a6d3283424 [0,2,0,0,0,0|1,0,0]=3 1409 B9R0.8 COC(C)C(=O)NCCBr 70181b8f280d27866382783267cd6a80 [0,2,0,0,0,0|2,0,0]=4 1410 B9R0.8 COC(C)C(=O)NCCF 72536b365ea95b52adc5b90da2a860da [0,2,0,0,0,0|2,0,0]=4 1411 B9R0.8 COC(C)C(=O)NCCI 17a0e2e9fd1b7403f9862df913b90da0 [0,2,0,0,0,0|2,0,0]=4 1412 B9R0.8 COC(C)C(=O)NCCO f6d4742304c8e766bf3b2e11faaa599a [0,2,0,0,0,0|2,0,0]=4 1413 B9R0.8 COC(C)C(=O)NCCS d6f87202f49bb36bc929be090f10f0ea [0,2,0,0,0,0|2,0,0]=4 1414 B9R0.8 COCOC(C)C(=O)OC 9848f05d221db1285aa396c5cdb54009 [0,2,0,0,0,0|1,0,0]=3 1415 B9R0.8 COCO[C@@H](C)C(=O)OC d3164128e1fe62adbc450c7289f3cf7d [0,2,0,0,0,0|1,0,0]=3 1416 B9R0.8 COCO[C@H](C)C(=O)OC 17521579f3e79d24afec0b769bf2889d [0,2,0,0,0,0|1,0,0]=3 1417 B9R0.8 CO[C@@H](C)C(=O)NCCBr 9b79da78e4747bb924a81921bb34c214 [0,2,0,0,0,0|2,0,0]=4 1418 B9R0.8 CO[C@@H](C)C(=O)NCCF 7dd3bf2897b51b43a73f96ea085eaaa4 [0,2,0,0,0,0|2,0,0]=4 1419 B9R0.8 CO[C@@H](C)C(=O)NCCI cc4e3d8ffb24894e8d8d5e767c2c11ed [0,2,0,0,0,0|2,0,0]=4 1420 B9R0.8 CO[C@@H](C)C(=O)NCCO 722920cef60ae413ce35f7c386be7fa8 [0,2,0,0,0,0|2,0,0]=4 1421 B9R0.8 CO[C@@H](C)C(=O)NCCS 1cbeaa86510849c657b66794a7fb3ee6 [0,2,0,0,0,0|2,0,0]=4 1422 B9R0.8 CO[C@H](C)C(=O)NCCBr 9c6e5b2d7c7416260f1fcd90b9c20ca6 [0,2,0,0,0,0|2,0,0]=4 1423 B9R0.8 CO[C@H](C)C(=O)NCCF d906c93a7ac3ed4697cb3f9c26b47d50 [0,2,0,0,0,0|2,0,0]=4 1424 B9R0.8 CO[C@H](C)C(=O)NCCI 9b0d2adc0225cc8c5720789a9f854a3f [0,2,0,0,0,0|2,0,0]=4 1425 B9R0.8 CO[C@H](C)C(=O)NCCO 38a9292cd28c04ea3545214abb3d1df5 [0,2,0,0,0,0|2,0,0]=4 1426 B9R0.8 CO[C@H](C)C(=O)NCCS ddcd3912fc0e64986fc72434055291da [0,2,0,0,0,0|2,0,0]=4 1427 B9R0.18 C#CCCC(=O)NCCC f3c64f5165b1f279b3da708a35c3c2e4 [0,2,0,0,0,0|2,0,0]=4 1428 B9R0.18 C#CCNC(=O)CCCC 3d3f3bc88905304d134b4af31dd48618 [0,2,0,0,0,0|1,0,0]=3 1429 B9R0.18 C#CCNC(=O)CCCF ecb10897f109f7e8e58a171a1d700f31 [0,2,0,0,0,0|2,0,0]=4 1430 B9R0.18 C#CCNC(=O)CCCS 00f12bf631c659bbc2b6c919fdbad159 [0,2,0,0,0,0|2,0,0]=4 1431 B9R0.18 C#CCNC(=O)CCOC 542936251c1cae785d3b607c3ca7387c [0,2,0,0,0,0|2,0,0]=4 1432 B9R0.18 C#CCNC(=O)CCSC 7086aa684322ccec2c3e4260dd7fcb4d [0,2,0,0,0,0|2,0,0]=4 1433 B9R0.18 C#CCNC(=O)COCC 6728d3621c636d52cc87aceadfb51abb [0,2,0,0,0,0|2,0,0]=4 1434 B9R0.18 C#CCNC(=O)CSCC 2bedd45ec473bec1e5eb5cd018b6c8d1 [0,2,0,0,0,0|2,0,0]=4 1435 B9R0.18 C#CCNC(=O)NCCC d6c210dfb026e11075848662b906497c [0,2,0,0,0,0|2,0,0]=4 1436 B9R0.18 C#CCOC(C)CCCC a6bf8a2fbde7f7937d084a3ce3f21abb [0,2,0,0,0,0|1,0,1]=4 1437 B9R0.18 C#CCO[C@@H](C)CCCC d36d8187ba9fe99db945c7ac19c589a4 [0,2,0,0,0,0|1,0,1]=4 1438 B9R0.18 C#CCO[C@H](C)CCCC 4f5dddefc5ccbd74a979c1cd0f8b39d1 [0,2,0,0,0,0|1,0,1]=4 1439 B9R0.18 C/C=C/CC(=O)NCCC c4000eced9c5a645f9e27eaa7bbc369b [0,2,0,0,0,0|2,0,0]=4 1440 B9R0.18 C=CCCC(=O)NCCC 9f74062b96148fe9af5f57a314993165 [0,2,0,0,0,0|2,0,0]=4 1441 B9R0.18 C=CCNC(=O)COCC a11a89555864e96d8e78b57eec3b4d7c [0,2,0,0,0,0|2,0,0]=4 1442 B9R0.18 C=CCOC(C)CCCC e05948ecaeff8c28551c390203faa54a [0,2,0,0,0,0|1,0,1]=4 1443 B9R0.18 C=CCO[C@@H](C)CCCC 785b4fd0e7d2a1185c3f37e0ca8f48b9 [0,2,0,0,0,0|1,0,1]=4 1444 B9R0.18 C=CCO[C@H](C)CCCC 8279474ab6fe084178c62f137ffa8b53 [0,2,0,0,0,0|1,0,1]=4 1445 B9R0.18 CC#CCC(=O)NCCC 82aa0b33116e485698eabb2e8d0819b1 [0,2,0,0,0,0|2,0,0]=4 1446 B9R0.18 CC/C=C/C(=O)NCCC 097750926e3d99168c7ae958e0b63aa1 [0,2,0,0,0,0|2,0,0]=4 1447 B9R0.18 CC/C=C\C(=O)NCCC 2e01bf87a7f45ff1d01b0bf52ce2e79c [0,2,0,0,0,0|2,0,0]=4 1448 B9R0.18 CCC#CC(=O)NCCC 05296c469ef7c084017f21a8abf9ef42 [0,2,0,0,0,0|2,0,0]=4 1449 B9R0.18 CCC=CC(=O)NCCC a3276d4bfec7425f957ca6583de8d8a3 [0,2,0,0,0,0|2,0,0]=4 1450 B9R0.18 CCCCC(=O)NCC#N 647f3326e822a65de00523bd57231ccf [0,2,0,0,0,0|1,0,0]=3 1451 B9R0.18 CCCCC(=O)NCCBr 8af219e0e77c4fc0ca9d539df0908bd7 [0,2,0,0,0,0|1,0,0]=3 1452 B9R0.18 CCCCC(=O)NCCC b85686110cd08860fec3169645c4d3bc [0,2,0,0,0,0|1,0,0]=3 1453 B9R0.18 CCCCC(=O)NCCF b275f982f0ad827f00e9f57eb71a2f59 [0,2,0,0,0,0|1,0,0]=3 1454 B9R0.18 CCCCC(=O)NCCI 9863fe9ac927a6229bfaad02f965a727 [0,2,0,0,0,0|1,0,0]=3 1455 B9R0.18 CCCCC(=O)NCCO 7ece651dd2827f5e83d2c51f7847968d [0,2,0,0,0,0|1,0,0]=3 1456 B9R0.18 CCCCC(=O)NCCS 7815db24b5b4c021be3fed7542d4cbf1 [0,2,0,0,0,0|1,0,0]=3 1457 B9R0.18 CCCCC(C)COCC 58365c9c9e662717f1bbd5e7f384f400 [0,2,0,0,0,0|1,0,1]=4 1458 B9R0.18 CCCCC(C)COCF 09ffbdc6b473e3828f87d6ed9dd457d6 [0,2,0,0,0,0|1,0,1]=4 1459 B9R0.18 CCCCC(C)NCOC 72ee118d96c93b5e2ac974d6392482cd [0,2,0,0,0,0|1,0,1]=4 1460 B9R0.18 CCCCC(C)OCC#N a49c2f2b2ea1e149d9135336e3cfab81 [0,2,0,0,0,0|1,0,1]=4 1461 B9R0.18 CCCCC(C)OCC=O eda04f1a17d81cf08f2f32366dad6c90 [0,2,0,0,0,0|1,0,1]=4 1462 B9R0.18 CCCCC(C)OCCC 03a9a54da7ce8074115dc5963e2487d3 [0,2,0,0,0,0|1,0,1]=4 1463 B9R0.18 CCCCC(C)OCCF 3f799a7d24890a960e30edb9bb965fe5 [0,2,0,0,0,0|1,0,1]=4 1464 B9R0.18 CCCCC(C)OCCS 498240fa81efc48a364f781ba80a2136 [0,2,0,0,0,0|1,0,1]=4 1465 B9R0.18 CCCCC(C)OCOC 2647a8351841aefd7767410eec944f14 [0,2,0,0,0,0|1,0,1]=4 1466 B9R0.18 CCCCC(C)OCSC 675cf4242578276faef054101752fff5 [0,2,0,0,0,0|1,0,1]=4 1467 B9R0.18 CCCCN(C)CCOC cb1c43014bdebf644141900952049354 [0,2,0,0,0,0|2,0,0]=4 1468 B9R0.18 CCCCN(C)COCC d499f711adfc90243a4d04f7325fe0b5 [0,2,0,0,0,0|2,0,0]=4 1469 B9R0.18 CCCC[C@@H](C)NCOC f66d1627858146f3e552909b38c15c1f [0,2,0,0,0,0|1,0,1]=4 1470 B9R0.18 CCCC[C@@H](C)OCC#N 3768ccd6166470de9b4699e30d70c1fa [0,2,0,0,0,0|1,0,1]=4 1471 B9R0.18 CCCC[C@@H](C)OCC=O 993915524a0a10ada5c5e7e66a19b57f [0,2,0,0,0,0|1,0,1]=4 1472 B9R0.18 CCCC[C@@H](C)OCCC 3919e2b8d370ec3c53a10b41264f7777 [0,2,0,0,0,0|1,0,1]=4 1473 B9R0.18 CCCC[C@@H](C)OCCF 9e6e7d202edc7f99d8130b72feff99d7 [0,2,0,0,0,0|1,0,1]=4 1474 B9R0.18 CCCC[C@@H](C)OCCS da0dc6ff36920e5da60fbd4660080dd8 [0,2,0,0,0,0|1,0,1]=4 1475 B9R0.18 CCCC[C@@H](C)OCSC 5f93169fe26264ec85ba889f3f1492c7 [0,2,0,0,0,0|1,0,1]=4 1476 B9R0.18 CCCC[C@H](C)OCC#N 8fb280eb0fa37a708edcd7a81ea14614 [0,2,0,0,0,0|1,0,1]=4 1477 B9R0.18 CCCC[C@H](C)OCC=O 64aea713a6e78b2a7c1dcccee369110a [0,2,0,0,0,0|1,0,1]=4 1478 B9R0.18 CCCC[C@H](C)OCCC 66356f9f032d16fe1fbfbbab77eafd41 [0,2,0,0,0,0|1,0,1]=4 1479 B9R0.18 CCCC[C@H](C)OCCF 452211e2967f01206ae8ab89031a98ce [0,2,0,0,0,0|1,0,1]=4 1480 B9R0.18 CCCC[C@H](C)OCCS e7099a214ea1736c512624854b8788ff [0,2,0,0,0,0|1,0,1]=4 1481 B9R0.18 CCCC[C@H](C)OCSC 6f25ee6b4cd5695fd2c5f7349596b758 [0,2,0,0,0,0|1,0,1]=4 1482 B9R0.18 CCCNC(=O)/C=C/CF 9f6bd068b181c7e8341b03e4961ce703 [0,2,0,0,0,0|2,0,0]=4 1483 B9R0.18 CCCNC(=O)/C=C/CO c190444d5bd64d36c3387385e202f269 [0,2,0,0,0,0|2,0,0]=4 1484 B9R0.18 CCCNC(=O)/C=C/OC c5592272967d4efa44d6fb8a54bb72ea [0,2,0,0,0,0|1,0,0]=3 1485 B9R0.18 CCCNC(=O)C#CCO ea603f20d80926bf02bcf6f77c8472cb [0,2,0,0,0,0|2,0,0]=4 1486 B9R0.18 CCCNC(=O)C=CCO 49cfd4b997d1c09ce2b3615e9d82bbb1 [0,2,0,0,0,0|2,0,0]=4 1487 B9R0.18 CCCNC(=O)C=COC a5c0f3873625ddeaddcb2b26ccbd1309 [0,2,0,0,0,0|1,0,0]=3 1488 B9R0.18 CCCNC(=O)CCC#N 3c84da86740a9537b1394a17edc981f5 [0,2,0,0,0,0|2,0,0]=4 1489 B9R0.18 CCCNC(=O)CCC=O 5522fa26a355fc8eec3036c5a7687322 [0,2,0,0,0,0|2,0,0]=4 1490 B9R0.18 CCCNC(=O)CCCF 1f823bbe5c8060566b13c81465e061c7 [0,2,0,0,0,0|2,0,0]=4 1491 B9R0.18 CCCNC(=O)CCCS 2bfa96a35c081404d84a7b0215640a85 [0,2,0,0,0,0|2,0,0]=4 1492 B9R0.18 CCCNC(=O)CCOC 6cd117ddc5922928321b15c7b6e23d01 [0,2,0,0,0,0|1,0,0]=3 1493 B9R0.18 CCCNC(=O)CCSC 37189979a283ab62744d36502a721481 [0,2,0,0,0,0|1,1,0]=4 1494 B9R0.18 CCCNC(=O)CNCC fcfe70edc98518cf0e869dd652d9d1b9 [0,2,0,0,0,0|2,0,0]=4 1495 B9R0.18 CCCNC(=O)CNCF 3c826b0ceeef47dc0f5a92ae2f804d94 [0,2,0,0,0,0|2,0,0]=4 1496 B9R0.18 CCCNC(=O)CNCO 675781d24e7cbc9b6ef31ada5f732a91 [0,2,0,0,0,0|2,0,0]=4 1497 B9R0.18 CCCNC(=O)COCC 8f39e652af99ce623f6f9a406b6adee9 [0,2,0,0,0,0|1,0,0]=3 1498 B9R0.18 CCCNC(=O)CSCC d0b8c7d2c46af0543f3335fa1ed7e543 [0,2,0,0,0,0|1,1,0]=4 1499 B9R0.18 CCCNC(=O)CSSC 8af2df8b10dc9638c50f82a7925427c1 [0,2,0,0,0,0|1,1,0]=4 1500 B9R0.18 CCCNC(=O)NCC#N bda9ab11e5e1d45786189b55933e490a [0,2,0,0,0,0|2,0,0]=4 1501 B9R0.18 CCCNC(=O)NCCC d4084f6e2865e431e7a6757193be77c9 [0,2,0,0,0,0|2,0,0]=4 1502 B9R0.18 CCCNC(=O)NCCF 1e1fa57d0f12245420d7bb7dd77d774b [0,2,0,0,0,0|2,0,0]=4 1503 B9R0.18 CCCNC(=O)NCCN 579d0d35eef03875b16c127daf572c7f [0,2,0,0,0,0|2,0,0]=4 1504 B9R0.18 CCCNC(=O)NCCO 09e60de9b5b425950f0cc31f8f757e7a [0,2,0,0,0,0|2,0,0]=4 1505 B9R0.18 CCCNC(=O)NCCS cd43bb96619ec48c12746abcdc470aa6 [0,2,0,0,0,0|2,0,0]=4 1506 B9R0.18 CCNCC(=O)NCCO f0dbceae271282c3ff6663714718cc77 [0,2,0,0,0,0|2,0,0]=4 1507 B9R0.18 CCOCC(=O)NCC#N d8f86aea7833dd42d8d104633d3bb3ae [0,2,0,0,0,0|2,0,0]=4 1508 B9R0.18 CCOCC(=O)NCCBr 188a5c5950b7b078c6d2717759c5919e [0,2,0,0,0,0|2,0,0]=4 1509 B9R0.18 CCOCC(=O)NCCF 23c51c0b7cd288963975af6a7cb94ce6 [0,2,0,0,0,0|2,0,0]=4 1510 B9R0.18 CCOCC(=O)NCCI 048e96141a0b58286305185326e10bdc [0,2,0,0,0,0|2,0,0]=4 1511 B9R0.18 CCOCC(=O)NCCO 4232164c729662df753fa9da7f624b37 [0,2,0,0,0,0|2,0,0]=4 1512 B9R0.18 CCOCC(=O)NCCS 36147fd132ce902e715f1828cc95a3ca [0,2,0,0,0,0|2,0,0]=4 1513 B9R0.18 CCSCC(=O)NCC#N 9879e9ae7e9d3b3c4beb0ab2981029a8 [0,2,0,0,0,0|2,0,0]=4 1514 B9R0.18 CCSCC(=O)NCCBr a67e006949a9953368b6c21f66576225 [0,2,0,0,0,0|2,0,0]=4 1515 B9R0.18 CCSCC(=O)NCCF 9ffbdf7bfac13ccb02a4df4b9c5c1ec1 [0,2,0,0,0,0|2,0,0]=4 1516 B9R0.18 CCSCC(=O)NCCI e94bf45e297d3d690354c1a36393ba19 [0,2,0,0,0,0|2,0,0]=4 1517 B9R0.18 CCSCC(=O)NCCO 36045fca78fe19f762e8c359711722ec [0,2,0,0,0,0|2,0,0]=4 1518 B9R0.18 CCSCC(=O)NCCS db55e1bb3f66dedad6adeb56cf765a83 [0,2,0,0,0,0|2,0,0]=4 1519 B9R0.18 CO/C=C/C(=O)NCCBr 7cdaebe1e4f0eb36dccf2555fe71dcd1 [0,2,0,0,0,0|2,0,0]=4 1520 B9R0.18 CO/C=C/C(=O)NCCF f35eb8dfb5ac76e98aefc5b85df503e8 [0,2,0,0,0,0|2,0,0]=4 1521 B9R0.18 CO/C=C/C(=O)NCCI fcb5b25f5b8c19fda6ac7e56c540cb62 [0,2,0,0,0,0|2,0,0]=4 1522 B9R0.18 CO/C=C/C(=O)NCCO d09af996dea26ae6a271b5517bb31209 [0,2,0,0,0,0|2,0,0]=4 1523 B9R0.18 CO/C=C/C(=O)NCCS 94cbc89b592789f9c55ad4de9854a108 [0,2,0,0,0,0|2,0,0]=4 1524 B9R0.18 COC=CC(=O)NCCBr ce9d0dd36b9945a990e4f54cb9708579 [0,2,0,0,0,0|2,0,0]=4 1525 B9R0.18 COC=CC(=O)NCCF 183e63b6de95d1127abb2f3ca3f17bf9 [0,2,0,0,0,0|2,0,0]=4 1526 B9R0.18 COC=CC(=O)NCCI c8c2a441aced954e1cee4253a1f0dfa7 [0,2,0,0,0,0|2,0,0]=4 1527 B9R0.18 COC=CC(=O)NCCO 264f7103fcfd686b7ba2e9d95ba98d86 [0,2,0,0,0,0|2,0,0]=4 1528 B9R0.18 COC=CC(=O)NCCS afc82b128cd02061985a3d265b6bc400 [0,2,0,0,0,0|2,0,0]=4 1529 B9R0.18 COCCC(=O)NCC#N 1b9d719f45780bc015d2f0f0b198c090 [0,2,0,0,0,0|2,0,0]=4 1530 B9R0.18 COCCC(=O)NCCBr f130c056ed3790213fdd2960494db613 [0,2,0,0,0,0|2,0,0]=4 1531 B9R0.18 COCCC(=O)NCCF 3b79550f64f4a7039b2c4be8e9b846c4 [0,2,0,0,0,0|2,0,0]=4 1532 B9R0.18 COCCC(=O)NCCI a733b34d537a87c545ba48cdc7acc291 [0,2,0,0,0,0|2,0,0]=4 1533 B9R0.18 COCCC(=O)NCCO b5e285b41937c9aa98027cb971fe056b [0,2,0,0,0,0|2,0,0]=4 1534 B9R0.18 COCCC(=O)NCCS a993c904600b344252bc84f04a69db79 [0,2,0,0,0,0|2,0,0]=4 1535 B9R0.18 CSCCC(=O)NCC#N 7a03f529e7e14acc3e7cdf4cbee9a488 [0,2,0,0,0,0|2,0,0]=4 1536 B9R0.18 CSCCC(=O)NCCBr ea08a7bfbf45e1f8a38b3f26dca6c117 [0,2,0,0,0,0|2,0,0]=4 1537 B9R0.18 CSCCC(=O)NCCF 6f7acbde84975c223e97e32c1cc35da8 [0,2,0,0,0,0|2,0,0]=4 1538 B9R0.18 CSCCC(=O)NCCI 93f1353dc20c43b8184cf13e3552539a [0,2,0,0,0,0|2,0,0]=4 1539 B9R0.18 CSCCC(=O)NCCO cd589d7a0e4d026a26420d69f13f3bd8 [0,2,0,0,0,0|2,0,0]=4 1540 B9R0.18 CSCCC(=O)NCCS fe572177d565b550f9b6d1c54b01450c [0,2,0,0,0,0|2,0,0]=4 1541 B9R0.18 N#CCNC(=O)CCCF 15ca76f5ae520e8622740c7ebd382c23 [0,2,0,0,0,0|2,0,0]=4 1542 B9R0.18 N#CCNC(=O)CCCS 44046a89c3c6a917e0b67ef4e7137dde [0,2,0,0,0,0|2,0,0]=4 1543 B9R0.18 O=C(CCCF)NCCBr 454639c983ec3682f4d57d1ec2bcf026 [0,2,0,0,0,0|2,0,0]=4 1544 B9R0.18 O=C(CCCF)NCCF ad34e8af339b2a31998448cfc17501be [0,2,0,0,0,0|2,0,0]=4 1545 B9R0.18 O=C(CCCF)NCCI 96be9ab611733cd089ece9902e243128 [0,2,0,0,0,0|2,0,0]=4 1546 B9R0.18 O=C(CCCF)NCCO 148332670bdbe57694e65e058f1387a4 [0,2,0,0,0,0|2,0,0]=4 1547 B9R0.18 O=C(CCCF)NCCS ee612c15499d17690d17e81f91cd16af [0,2,0,0,0,0|2,0,0]=4 1548 B9R0.18 O=C(CCCS)NCCBr d43e0b043b9a5c392004a1608afa85bb [0,2,0,0,0,0|2,0,0]=4 1549 B9R0.18 O=C(CCCS)NCCF 97df33e2c026134fbbc15142e58eeed1 [0,2,0,0,0,0|2,0,0]=4 1550 B9R0.18 O=C(CCCS)NCCI b85b8b41742ef5e4f7e1a76ff50bec0a [0,2,0,0,0,0|2,0,0]=4 1551 B9R0.18 O=C(CCCS)NCCO 2fdce65150ecd2129b2fa88f848eb2d0 [0,2,0,0,0,0|2,0,0]=4 1552 B9R0.18 O=C(CCCS)NCCS 755924664cd9a54b9c9a50d8b854021e [0,2,0,0,0,0|2,0,0]=4 1553 B9R0.34 C#CC(=O)NC(C)CCC 9ef6b2a06bd3e21b68b6e6b9a4d6e65c [0,2,0,0,0,0|1,0,1]=4 1554 B9R0.34 C#CC(=O)N[C@@H](C)CCC c9717a49753ea79f46cf92ea3c41222f [0,2,0,0,0,0|1,0,1]=4 1555 B9R0.34 C#CCN(C)CC(=O)OC bec8bb6e750bee07ee53d35c56adbcd3 [0,2,0,0,0,0|0,0,2]=4 1556 B9R0.34 C/C=C/C(=O)NC(C)CC 27ed765dfbe6637d2f6dd85e1b2d3cc1 [0,2,0,0,0,0|2,0,0]=4 1557 B9R0.34 C/C=C/C(=O)N[C@@H](C)CC 6f7587f0ac9fc3820297fcd97d2898a8 [0,2,0,0,0,0|2,0,0]=4 1558 B9R0.34 C/C=C/C(=O)N[C@H](C)CC f5f16f18488c967735ac4e6c51c5f813 [0,2,0,0,0,0|2,0,0]=4 1559 B9R0.34 C=C(CC)CN(C)CCC b2e47ab7606b1a9ebc6c20af136ef20d [0,2,0,0,0,0|2,0,0]=4 1560 B9R0.34 C=C(CN(C)CCC)OC 4b1347482598cf292a1ac84b6f7cec98 [0,2,0,0,0,0|1,0,0]=3 1561 B9R0.34 C=C(CN(C)CCF)OC 7dda8392f8b3b89fd1186da92ad4d88b [0,2,0,0,0,0|2,0,0]=4 1562 B9R0.34 C=C(CN(C)CCO)OC 568b78cd61cfbd49833fe7639ad205cc [0,2,0,0,0,0|2,0,0]=4 1563 B9R0.34 C=CC(=O)NC(C)CCC 5ac77412dce7bf0021b564aebcc19f5a [0,2,0,0,0,0|1,0,1]=4 1564 B9R0.34 C=CC(=O)N[C@@H](C)CCC 679261b3434e976ef3fab88d3604d028 [0,2,0,0,0,0|1,0,1]=4 1565 B9R0.34 C=CCN(C)CC(=O)OC f2e9736a5a1e55a617f4ebb315071d59 [0,2,0,0,0,0|0,0,2]=4 1566 B9R0.34 C=COC(=O)CN(C)CC c2a2929197fbfc522f555aa4d9d6ba1c [0,2,0,0,0,0|1,0,1]=4 1567 B9R0.34 CC#CC(=O)NC(C)CC 57fb25605d1190ef667789df2d6ab309 [0,2,0,0,0,0|2,0,0]=4 1568 B9R0.34 CC#CC(=O)N[C@@H](C)CC 5e05c0b5573d9725d75126477e2a2890 [0,2,0,0,0,0|2,0,0]=4 1569 B9R0.34 CC#CC(=O)N[C@H](C)CC f028830b4a900d3b4bfcf3a3e0030821 [0,2,0,0,0,0|2,0,0]=4 1570 B9R0.34 CCC(=O)CN(C)CCF 7585e37b63bdbb92e00fd42e9b5b75a3 [0,2,0,0,0,0|2,0,0]=4 1571 B9R0.34 CCC(=O)CN(C)CCO 89e8f518682c803ef78fe38f0dbad88f [0,2,0,0,0,0|2,0,0]=4 1572 B9R0.34 CCC(=O)NC(C)CCO a883fc34859346abd88179101d515e1d [0,2,0,0,0,0|2,0,0]=4 1573 B9R0.34 CCC(=O)NC(C)COC 9d038691261b178e2c31a5ae222e85e5 [0,2,0,0,0,0|2,0,0]=4 1574 B9R0.34 CCC(=O)N[C@@H](C)CCO f39b1caa19cceb4e390c6db1cb780fdc [0,2,0,0,0,0|2,0,0]=4 1575 B9R0.34 CCC(=O)N[C@@H](C)COC 18b9f52b18f606df44997eabf4ae8872 [0,2,0,0,0,0|2,0,0]=4 1576 B9R0.34 CCC(=O)N[C@H](C)CCO b8d67ac64c2350c7e7098139ad8e20ec [0,2,0,0,0,0|2,0,0]=4 1577 B9R0.34 CCC(=O)N[C@H](C)COC 4456c5ca59fc7a24d1313850c49ec7c2 [0,2,0,0,0,0|2,0,0]=4 1578 B9R0.34 CCC(C)CC(=O)NC#N ab71259e4afcb8d65c8ad3eb02f5d0f6 [0,2,0,0,0,0|1,0,1]=4 1579 B9R0.34 CCC(C)NC(=O)CCF 897d964ca2cc8eb712029dcd0ee6bf63 [0,2,0,0,0,0|2,0,0]=4 1580 B9R0.34 CCC(C)NC(=O)CCO b962fc4e6619b7e10119a59a59b706c4 [0,2,0,0,0,0|2,0,0]=4 1581 B9R0.34 CCC(C)NC(=O)CCS 51871ba438815abf0ae6af354e3928c6 [0,2,0,0,0,0|2,0,0]=4 1582 B9R0.34 CCC(C)NC(=O)COC 16f2a377fe0f0e899c23e3908d3f7f10 [0,2,0,0,0,0|1,0,0]=3 1583 B9R0.34 CCC(C)NC(=O)CON e2775deb16c0ed03adc135dc71beb963 [0,2,0,0,0,0|2,0,0]=4 1584 B9R0.34 CCC(C)NC(=O)CSC 79abb5b7e7689915212f24e1f515bb8b [0,2,0,0,0,0|1,1,0]=4 1585 B9R0.34 CCC(O)CC(=O)NC#N 7e79ca8a9bb6029f57a7113f4c4d3ab3 [0,2,0,0,0,0|1,0,1]=4 1586 B9R0.34 CCC(O)CN(C)COC 91e742a91026f33dc2a8b5c106e75e2b [0,2,0,0,0,0|2,0,0]=4 1587 B9R0.34 CCCC(=O)CN(C)CC aab50acb4edd8cca9877e21b8238cd5a [0,2,0,0,0,0|2,0,0]=4 1588 B9R0.34 CCCC(=O)NC(C)CC 38c367e96c0a19794c8b20cd2fb7c376 [0,2,0,0,0,0|2,0,0]=4 1589 B9R0.34 CCCC(=O)N[C@@H](C)CC efc6625fdae8a77efd786fcb0643e4e6 [0,2,0,0,0,0|2,0,0]=4 1590 B9R0.34 CCCC(=O)N[C@H](C)CC 25ef63beafef1f6530659eafa2b0dfe9 [0,2,0,0,0,0|2,0,0]=4 1591 B9R0.34 CCCC(C)NC(=O)C=O dc38ba5950699f1803639c5140fa8f50 [0,2,0,0,0,0|2,0,0]=4 1592 B9R0.34 CCCC(C)NC(=O)CC 1c5e7d013b6d8314fad6ff12635fab4a [0,2,0,0,0,0|1,0,0]=3 1593 B9R0.34 CCCC(C)NC(=O)CF cd7744f1d589c1a7b205a0234a07d025 [0,2,0,0,0,0|2,0,0]=4 1594 B9R0.34 CCCC(C)NC(=O)CO 984314b099c12612925dab4544371cf9 [0,2,0,0,0,0|2,0,0]=4 1595 B9R0.34 CCCC(C)NC(=O)CS 3bb1ac3eb0af8520569c681c11dd1e08 [0,2,0,0,0,0|2,0,0]=4 1596 B9R0.34 CCCN(C)CC(=O)CC c80c7d6de1d5253ede7d75a7d9fc6b4c [0,2,0,0,0,0|1,0,0]=3 1597 B9R0.34 CCCN(C)CC(=O)CO 1841a828916dd36659413f240ce49dae [0,2,0,0,0,0|2,0,0]=4 1598 B9R0.34 CCCN(C)CC(=O)NC d85e1507ae005559e38ddcbdbef008c1 [0,2,0,0,0,0|1,0,0]=3 1599 B9R0.34 CCCN(C)CC(=O)OC c724ec5b9ab34c00a457a6a511b7bf14 [0,2,0,0,0,0|0,0,0]=2 1600 B9R0.34 CCCN(C)CC(C)OC 2cc0a49c908be793da380b8774b5c59c [0,2,0,0,0,0|1,0,1]=4 1601 B9R0.34 CCCN(C)C[C@@H](C)OC 83359d392feae1a5dceaffe176956cb6 [0,2,0,0,0,0|1,0,1]=4 1602 B9R0.34 CCCN(C)C[C@H](C)OC 7ecc0139b857279e5f7ccfceae42d653 [0,2,0,0,0,0|1,0,1]=4 1603 B9R0.34 CCC[C@H](C)NC(=O)C=O 81441a404e2525c1e98a6c56f6b1e7e7 [0,2,0,0,0,0|2,0,0]=4 1604 B9R0.34 CCC[C@H](C)NC(=O)CC ad5f66cc617489af6f8b7c428b7d7795 [0,2,0,0,0,0|1,0,0]=3 1605 B9R0.34 CCC[C@H](C)NC(=O)CF dfb674c0934ab272546ec19a7393ba83 [0,2,0,0,0,0|2,0,0]=4 1606 B9R0.34 CCC[C@H](C)NC(=O)CO d75a0e1acfe3e1874736f9eab8d0c961 [0,2,0,0,0,0|2,0,0]=4 1607 B9R0.34 CCC[C@H](C)NC(=O)CS b9cba590ec9acd80841d765b6372692b [0,2,0,0,0,0|2,0,0]=4 1608 B9R0.34 CCN(C)CC(=O)COC c71c185d9ff1671c026b501ccf0bd57f [0,2,0,0,0,0|1,0,0]=3 1609 B9R0.34 CCN(C)CC(=O)NCO 55b96fe8f7a60ce60acb3bd37562cf98 [0,2,0,0,0,0|2,0,0]=4 1610 B9R0.34 CCNC(=O)CN(C)CC 59c656345bbe98dac68b6425a09efbe0 [0,2,0,0,0,0|2,0,0]=4 1611 B9R0.34 CCNC(C)CC(=O)OC 8f5a36e5208499c391d24b252a12bf38 [0,2,0,0,0,0|0,0,0]=2 1612 B9R0.34 CCN[C@@H](C)CC(=O)OC 9e23f1bf52061ebf026cb501e421df05 [0,2,0,0,0,0|0,0,0]=2 1613 B9R0.34 CCN[C@H](C)CC(=O)OC 996cd301be79ec168f4649523ee618f0 [0,2,0,0,0,0|0,0,0]=2 1614 B9R0.34 CCOC(=O)CN(C)CC a8474fa2e310db8d1704be7deba7f938 [0,2,0,0,0,0|1,0,0]=3 1615 B9R0.34 CCOC(C)CC(=O)OC bb8935a6b3f2527590add1883d9af4ba [0,2,0,0,0,0|0,0,0]=2 1616 B9R0.34 CCOC(C)CC(C)OC 75f20277cb944ba5164a781b25ba2a9e [0,2,0,0,0,0|1,0,1]=4 1617 B9R0.34 CCO[C@@H](C)CC(=O)OC aac0a176fbc44f8c523dab5a743853de [0,2,0,0,0,0|0,0,0]=2 1618 B9R0.34 CCO[C@H](C)CC(=O)OC 3c6c55836fc2ed2696b0ec29d17e7dcf [0,2,0,0,0,0|0,0,0]=2 1619 B9R0.34 CC[C@@H](C)CC(=O)NC#N 1208e171c0b9b0d582b3f977be9440c6 [0,2,0,0,0,0|1,0,1]=4 1620 B9R0.34 CC[C@@H](C)NC(=O)CCF 2096cdab738ce6dd275899a92ce2e3cb [0,2,0,0,0,0|2,0,0]=4 1621 B9R0.34 CC[C@@H](C)NC(=O)CCO 3ac150908206e0e8666e48c83803ccb1 [0,2,0,0,0,0|2,0,0]=4 1622 B9R0.34 CC[C@@H](C)NC(=O)CCS 1a9f8047ad236cbf1e88b9c10c1fad05 [0,2,0,0,0,0|2,0,0]=4 1623 B9R0.34 CC[C@@H](C)NC(=O)COC 48e1c453949bea3e32bb0d96c962c7ca [0,2,0,0,0,0|1,0,0]=3 1624 B9R0.34 CC[C@@H](C)NC(=O)CON aeb5edc43bd4c7f2a6e80d771975c29b [0,2,0,0,0,0|2,0,0]=4 1625 B9R0.34 CC[C@@H](C)NC(=O)CSC 4d798388fffa22f640531c50e257bd3f [0,2,0,0,0,0|1,1,0]=4 1626 B9R0.34 CC[C@@H](O)CC(=O)NC#N 7206841b90efcd207f148352e5874630 [0,2,0,0,0,0|1,0,1]=4 1627 B9R0.34 CC[C@H](C)CC(=O)NC#N 0dceab4b8db8cf70b10ba08d9aa2a2e4 [0,2,0,0,0,0|1,0,1]=4 1628 B9R0.34 CC[C@H](C)NC(=O)CCF cf1ef90c58efa611d88c51e5180c0356 [0,2,0,0,0,0|2,0,0]=4 1629 B9R0.34 CC[C@H](C)NC(=O)CCO 322f0603fdba897ce9e312b98e7e61d7 [0,2,0,0,0,0|2,0,0]=4 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b72211864df35ffd2380f82f65b89de4 [0,2,0,0,0,0|1,0,1]=4 1642 B9R0.34 COC(=O)CC(C)NCF 0a7538be72429a002b6b34a850e63618 [0,2,0,0,0,0|1,0,0]=3 1643 B9R0.34 COC(=O)CC(C)NCO 9753ba70d33825a7595610867e756db2 [0,2,0,0,0,0|1,0,0]=3 1644 B9R0.34 COC(=O)CC(C)OCF 68dbeec4b12b0259cc1cb07aaaa75105 [0,2,0,0,0,0|1,0,0]=3 1645 B9R0.34 COC(=O)CN(C)CC#N 6228a1773b5138a97c278f0d758ea010 [0,2,0,0,0,0|1,0,1]=4 1646 B9R0.34 COC(=O)CN(C)CC=O cc00c0b6da1d7eba3533da3045fb7caa [0,2,0,0,0,0|1,0,1]=4 1647 B9R0.34 COC(=O)CN(C)CCF 7b41865c913d9b2c4d4122ccac5837a9 [0,2,0,0,0,0|1,0,0]=3 1648 B9R0.34 COC(=O)CN(C)CCO 1aad489fa1b45518825201dd6f7c38ac [0,2,0,0,0,0|1,0,0]=3 1649 B9R0.34 COC(=O)CN(C)CCS 8a8c2fe6c6a87cff3965790c5275f6ca [0,2,0,0,0,0|1,0,0]=3 1650 B9R0.34 COC(=O)CN(C)CSC 0d6887e7a7c91b703c53f416b59021da [0,2,0,0,0,0|1,0,0]=3 1651 B9R0.34 COC(=O)C[C@@H](C)NC=O 7aa9f69886994f74910370c29191665a [0,2,0,0,0,0|1,0,1]=4 1652 B9R0.34 COC(=O)C[C@@H](C)NCF e8a318d42732337cd2ff2138a3efff74 [0,2,0,0,0,0|1,0,0]=3 1653 B9R0.34 COC(=O)C[C@@H](C)NCO d777fda6d4f2319c41cbabe57c5b3877 [0,2,0,0,0,0|1,0,0]=3 1654 B9R0.34 COC(=O)C[C@@H](C)OCF 7f7d1856387b433cec9b5e54411bfa81 [0,2,0,0,0,0|1,0,0]=3 1655 B9R0.34 COC(=O)C[C@H](C)NC#N 9ef41ece7628552e3e57d5f377c7df0b [0,2,0,0,0,0|1,0,1]=4 1656 B9R0.34 COC(=O)C[C@H](C)NC=O 4500b3412c0f97479f50647dae47746c [0,2,0,0,0,0|1,0,1]=4 1657 B9R0.34 COC(=O)C[C@H](C)NCF 2e3f06d4fde4df2be2e62c70eb519f8b [0,2,0,0,0,0|1,0,0]=3 1658 B9R0.34 COC(=O)C[C@H](C)NCO 3fd4d27b51ca9c405e6a5685f286ea0c [0,2,0,0,0,0|1,0,0]=3 1659 B9R0.34 COC(=O)C[C@H](C)OCF 5de665b9654f96b29e1d14acbc21116f [0,2,0,0,0,0|1,0,0]=3 1660 B9R0.34 COCC(=O)NC(C)CO ded064b2c7e3ee9cff8fbc24b92be2b0 [0,2,0,0,0,0|2,0,0]=4 1661 B9R0.34 COCC(=O)N[C@@H](C)CO 530671860d368edbef4e9a662734f2b2 [0,2,0,0,0,0|2,0,0]=4 1662 B9R0.34 COCC(=O)N[C@H](C)CO f8ec4c01599cd2038b26ce03eb5a452e [0,2,0,0,0,0|2,0,0]=4 1663 B9R0.34 COCN(C)CC(=O)OC 33349a2663dda1be891b3184c8c7f1e3 [0,2,0,0,0,0|1,0,0]=3 1664 B9R0.35 C/C=C/C(=O)N(C)CCC 7176acd508d8bda847e992f2438ce3b5 [0,2,0,0,0,0|2,0,0]=4 1665 B9R0.35 CC#CC(=O)N(C)CCC 79b4e949f88cb049edf25ebd5795c85c [0,2,0,0,0,0|2,0,0]=4 1666 B9R0.35 CCCC(=O)N(C)CCC 4f10a4b8ce3fe8d6db7f1b42323fcb3d [0,2,0,0,0,0|2,0,0]=4 1667 B9R0.35 CCCC(O)C(=O)NC#N 65490c200432dec3cbe0b07b8ca95d15 [0,2,0,0,0,0|1,0,1]=4 1668 B9R0.35 CCCN(C)C(=O)CCF 3692c7802f2ced3890f500b9fb96e349 [0,2,0,0,0,0|2,0,0]=4 1669 B9R0.35 CCCN(C)C(=O)CCO 2c358179ff5e9410b64eb75b4194687e [0,2,0,0,0,0|2,0,0]=4 1670 B9R0.35 CCCN(C)C(=O)CCS 44da94222c71c297c4c39e3067e08a51 [0,2,0,0,0,0|2,0,0]=4 1671 B9R0.35 CCCN(C)C(=O)COC 762ec05ebc48f693f57ef51bddec7e34 [0,2,0,0,0,0|1,0,0]=3 1672 B9R0.35 CCCN(C)C(=O)CON 496444fb7508d8e566586767e5c7fa5a [0,2,0,0,0,0|2,0,0]=4 1673 B9R0.35 CCCN(C)C(=O)CSC e3dfaf5f0c7e0f5fe72ae4765f7b6e0e [0,2,0,0,0,0|1,1,0]=4 1674 B9R0.35 CCC[C@@H](O)C(=O)NC#N fc1b48e3d37878e20edbf51e911309b4 [0,2,0,0,0,0|1,0,1]=4 1675 B9R0.35 CCC[C@H](O)C(=O)NC#N 360f9b2e4ba3a51521ab9c08d289d644 [0,2,0,0,0,0|1,0,1]=4 1676 B9R0.35 CCNC(=O)[C@H](C)NCC 214401333582d701d8596737f61e8294 [0,2,0,0,0,0|2,0,0]=4 1677 B9R0.35 CCN[C@H](C)C(=O)OCC 6875bcc526feb7ae66bd8400bcf3b7da [0,2,0,0,0,0|1,0,0]=3 1678 B9R0.35 CCOC(=O)C(C)OCC f445527160852fc0c43d12c8fe5320cc [0,2,0,0,0,0|1,0,0]=3 1679 B9R0.35 CCOC(=O)C(C)OCF b72a5184b9f7f92b79234cb6ae816d22 [0,2,0,0,0,0|2,0,0]=4 1680 B9R0.35 CCOC(=O)[C@@H](C)NCF a34a0072dde6c8449b3b5e27f2813cc5 [0,2,0,0,0,0|2,0,0]=4 1681 B9R0.35 CCOC(=O)[C@@H](C)NCO 3ba9ba881d44f88d48cc363193979b75 [0,2,0,0,0,0|2,0,0]=4 1682 B9R0.35 CCOC(=O)[C@@H](C)OCC 631e97abb6fd65233abf22b379a869bf [0,2,0,0,0,0|1,0,0]=3 1683 B9R0.35 CCOC(=O)[C@@H](C)OCF db29af7be0cd6ce5187adc16610b9c75 [0,2,0,0,0,0|2,0,0]=4 1684 B9R0.35 CCOC(=O)[C@H](C)OCC 62fff8344bfc0cb3adfb9e62dd68064a [0,2,0,0,0,0|1,0,0]=3 1685 B9R0.35 CCOC(=O)[C@H](C)OCF 58d923bf5f6e3bf0a31b0bd24fb6ba13 [0,2,0,0,0,0|2,0,0]=4 1686 B9R0.35 COCC(=O)N(C)CCF c28a5e3a370fcb77ee9921c22547f82e [0,2,0,0,0,0|2,0,0]=4 1687 B9R0.35 COCC(=O)N(C)CCO 29d155f9161609862360955786640ca3 [0,2,0,0,0,0|2,0,0]=4 1688 B9R0.40 C#CC(CCCC)OCC 34d6f2f805b337e2f29baefe308de38a [0,2,0,0,0,0|1,0,1]=4 1689 B9R0.40 C#CC(CCCC)OCF ae5d115010dfcd09fa63588262dd0d20 [0,2,0,0,0,0|1,0,1]=4 1690 B9R0.40 C=CC(CCCC)OCC debe70a957bdc231f9f5bc09ebab038f [0,2,0,0,0,0|1,0,1]=4 1691 B9R0.40 C=CC(CCCC)OCF 752be02e7454f2c5867dec77875b7bf8 [0,2,0,0,0,0|1,0,1]=4 1692 B9R0.40 CCCCC(CC)OCC f8505015964e9c49dca586a5dee77bc8 [0,2,0,0,0,0|1,0,1]=4 1693 B9R0.40 CCCCC(CC)OCF 0e987e381d58de15ad70b5901cf1f3fd [0,2,0,0,0,0|1,0,1]=4 1694 B9R0.40 CCCCN(C=O)CCC be8b9ffc5e8551c44e5ab58b1828a0f7 [0,2,0,0,0,0|2,0,0]=4 1695 B9R0.40 CCCCN(C=O)CCO 17787dd5e4fe64ab300ff2422659355e [0,2,0,0,0,0|2,0,0]=4 1696 B9R0.40 CCCCN(C=O)CCS a20b475fa5d1ceea20c555b8a71771e2 [0,2,0,0,0,0|2,0,0]=4 1697 B9R0.40 CCCCN(CC)CC=O d871d9f188cada87ccdeb3afe3a7e109 [0,2,0,0,0,0|2,0,0]=4 1698 B9R0.40 CCCCN(CC)COC f7250b9cd7d36cb9a0263de37f7e6d98 [0,2,0,0,0,0|2,0,0]=4 1699 B9R0.48 C/C=C/C(=O)NCC(C)C 1bc11c358e801c48de2ee29a286f4bd5 [0,2,0,0,0,0|2,0,0]=4 1700 B9R0.48 C/C=C/C(=O)NCC(C)O 84d58663dfcd51e89334984dcff75861 [0,2,0,0,0,0|2,0,0]=4 1701 B9R0.48 C/C=C/C(=O)NC[C@@H](C)O 9aeb50ae76bfc4c4a42110aaf18e91db [0,2,0,0,0,0|2,0,0]=4 1702 B9R0.48 C/C=C/C(=O)NC[C@H](C)O b2d28f4f0d59c4da44ac49efcb09e2c5 [0,2,0,0,0,0|2,0,0]=4 1703 B9R0.48 C=C(C)CNC(=O)COC 7927f533b7fcfd491d5570cbc592dd9d [0,2,0,0,0,0|1,0,1]=4 1704 B9R0.48 C=COC(=O)COC(C)C a2c2392c5ec1e704642cd23302e301c8 [0,2,0,0,0,0|1,0,1]=4 1705 B9R0.48 CC#CC(=O)NCC(C)C e82bcca2c749485b82eed7abb95b4ed1 [0,2,0,0,0,0|2,0,0]=4 1706 B9R0.48 CC#CC(=O)NCC(C)O 08396b338fa81d2710bc06b780706cfb [0,2,0,0,0,0|2,0,0]=4 1707 B9R0.48 CC#CC(=O)NC[C@@H](C)O 81993fd71b1ea6d85cbb765ac9d7f8de [0,2,0,0,0,0|2,0,0]=4 1708 B9R0.48 CC#CC(=O)NC[C@H](C)O 77b6d6e181c6d0cd66b00bc3518561d8 [0,2,0,0,0,0|2,0,0]=4 1709 B9R0.48 CC(C)CCC(=O)NC#N 38f6aba8841dc8c8acc89fa79a371a14 [0,2,0,0,0,0|1,0,1]=4 1710 B9R0.48 CC(C)CCC(C)OCF 60f38c3752acae577ed864cc86a1a5a9 [0,2,0,0,0,0|1,0,1]=4 1711 B9R0.48 CC(C)CNC(=O)CCF 826700e367231bc545e19b99db141768 [0,2,0,0,0,0|2,0,0]=4 1712 B9R0.48 CC(C)CNC(=O)CCO 08f3d4ee1660e29d5ac3dec2e1de53b3 [0,2,0,0,0,0|2,0,0]=4 1713 B9R0.48 CC(C)CNC(=O)CCS 86fefd6d585490fd9e35b853263eb718 [0,2,0,0,0,0|2,0,0]=4 1714 B9R0.48 CC(C)CNC(=O)CON 0ea6d69697f2be664daf427d8f7b7ee0 [0,2,0,0,0,0|2,0,0]=4 1715 B9R0.48 CC(O)CNC(=O)CCF 7757526ea6f90212ff828df92a81524c [0,2,0,0,0,0|2,0,0]=4 1716 B9R0.48 CC(O)CNC(=O)CCO b1635c07c3f511f2b77001a38f892231 [0,2,0,0,0,0|2,0,0]=4 1717 B9R0.48 CC(O)CNC(=O)CCS dab7482190fb8fba11ac4545e829c43e [0,2,0,0,0,0|2,0,0]=4 1718 B9R0.48 CC(O)CNC(=O)CON 3415bf552db504cda97c64af89285005 [0,2,0,0,0,0|2,0,0]=4 1719 B9R0.48 CC(S)CCC(=O)NC#N 30997b547469357568da5b9e8dfec208 [0,2,0,0,0,0|1,0,1]=4 1720 B9R0.48 CCCC(=O)COC(C)C bda6e210e89c477f850b0ed2f7c35c92 [0,2,0,0,0,0|2,0,0]=4 1721 B9R0.48 CCCC(=O)NCC(C)C 7be62da310536c4ced65314ef5418719 [0,2,0,0,0,0|2,0,0]=4 1722 B9R0.48 CCCC(=O)NCC(C)O ba53379307f7ae08a2b5b3adca0ac823 [0,2,0,0,0,0|2,0,0]=4 1723 B9R0.48 CCCC(=O)NC[C@@H](C)O 2eea508114803a331a902914666075a1 [0,2,0,0,0,0|2,0,0]=4 1724 B9R0.48 CCCC(=O)NC[C@H](C)O b4f7691f264345400cd9717008b17039 [0,2,0,0,0,0|2,0,0]=4 1725 B9R0.48 CCNC(=O)CNC(C)C e4859b939cf74625a255ec0cb59c0de7 [0,2,0,0,0,0|2,0,0]=4 1726 B9R0.48 CCNC(=O)COC(C)C c828d8acf61877ee15690716396e9a0a [0,2,0,0,0,0|2,0,0]=4 1727 B9R0.48 CCOC(=O)CNC(=O)C eefea8b66cbae53eb0645dbc6dff51ca [0,2,0,0,0,0|1,0,1]=4 1728 B9R0.48 CCOC(=O)CNC(C)C 80d7999aed865ea280b457aaf3d32f53 [0,2,0,0,0,0|1,0,0]=3 1729 B9R0.48 CCOC(=O)COC(C)C 228e90334048907c42f17a3b8b5d3d98 [0,2,0,0,0,0|1,0,0]=3 1730 B9R0.48 CCOC(C)CCC(C)C 238b79e992f85c5e82c5f29d7dc01557 [0,2,0,0,0,0|1,0,1]=4 1731 B9R0.48 COCC(=O)COC(C)C 8939b2d2f657a9aa8b5fe020856934ec [0,2,0,0,0,0|1,0,0]=3 1732 B9R0.48 COCC(=O)NCC(=O)C 9366c1fb376d52d38cd3913860d123e1 [0,2,0,0,0,0|1,0,1]=4 1733 B9R0.48 COCC(=O)NCC(C)C c4daec739ffacc829175580449ce011a [0,2,0,0,0,0|1,0,0]=3 1734 B9R0.48 COCC(=O)NCC(C)O f8b1886d725f96091277fd4292d75f7c [0,2,0,0,0,0|1,0,0]=3 1735 B9R0.48 COCC(=O)NCC(F)F 6883b92b4a78187aad9e1dfe7f55f8a1 [0,2,0,0,0,0|2,0,0]=4 1736 B9R0.48 COCC(=O)NC[C@@H](C)O 38cd21dd85798a5a788972e72e7b27b4 [0,2,0,0,0,0|1,0,0]=3 1737 B9R0.48 COCC(=O)NC[C@H](C)O 7b1079842e2b577308d40cc0f954db1a [0,2,0,0,0,0|1,0,0]=3 1738 B9R0.48 COCN(C)CCC(C)C e96d91813b80a051709cd86e0eba9943 [0,2,0,0,0,0|2,0,0]=4 1739 B9R0.48 COCN(C)CCC(C)O b72fca3d6451085e671b671113f53b1e [0,2,0,0,0,0|2,0,0]=4 1740 B9R0.48 CSCC(=O)NCC(C)C a69af075b2a8cbccacb76cdf22bda7bc [0,2,0,0,0,0|1,1,0]=4 1741 B9R0.48 CSCC(=O)NCC(C)O 5ddd4615c40d13f813df67061386bd0f [0,2,0,0,0,0|1,1,0]=4 1742 B9R0.48 CSCC(=O)NC[C@@H](C)O 59b3f010bc95e38c2da99c17ace4d5e4 [0,2,0,0,0,0|1,1,0]=4 1743 B9R0.48 CSCC(=O)NC[C@H](C)O 00ee44d7d8459039c0f9f6a7fae87b9b [0,2,0,0,0,0|1,1,0]=4 1744 B9R0.48 C[C@@H](O)CNC(=O)CCF 2b7488dccbe633938ac10d081588a52a [0,2,0,0,0,0|2,0,0]=4 1745 B9R0.48 C[C@@H](O)CNC(=O)CCO 01b1ffada3c2f0f23e1dce4445c2104f [0,2,0,0,0,0|2,0,0]=4 1746 B9R0.48 C[C@@H](O)CNC(=O)CCS 211c2eb3fab7240e8f12677b13139a27 [0,2,0,0,0,0|2,0,0]=4 1747 B9R0.48 C[C@@H](O)CNC(=O)CON f5ec3fc22d37acd9bf069c48805bf134 [0,2,0,0,0,0|2,0,0]=4 1748 B9R0.48 C[C@H](O)CNC(=O)CCF d3bafacfa081196fcd8a7ab00ec7ca7e [0,2,0,0,0,0|2,0,0]=4 1749 B9R0.48 C[C@H](O)CNC(=O)CCO e03a4db8a40c5ae1a7bd3001f9c12be5 [0,2,0,0,0,0|2,0,0]=4 1750 B9R0.48 C[C@H](O)CNC(=O)CCS 1ae07cce24e7953421707524a017a693 [0,2,0,0,0,0|2,0,0]=4 1751 B9R0.48 C[C@H](O)CNC(=O)CON f46f017a1a67995cd7349a1188dff278 [0,2,0,0,0,0|2,0,0]=4 1752 B9R0.48 C[C@H](S)CCC(=O)NC#N 7c7c6ba9c3ca3cedfa38de51e491c6a2 [0,2,0,0,0,0|1,0,1]=4 1753 B9R0.6 C=C(C)C(=O)N(C)CCC f91a452181c0eaeb8fa3f57abfd75228 [0,2,0,0,0,0|2,0,0]=4 1754 B9R0.6 CCCN(C)C(=O)C(=O)C b1f86c94d2bf9784f5bc56d2f713d016 [0,2,0,0,0,0|2,0,0]=4 1755 B9R0.6 CCCN(C)C(=O)C(C)F d5e0d89bba8e377c662e2237953cd814 [0,2,0,0,0,0|2,0,0]=4 1756 B9R0.6 CCCN(C)C(=O)C(C)O 2e3834a347b7b8c34f33b71447bba7d2 [0,2,0,0,0,0|2,0,0]=4 1757 B9R0.6 CCCN(C)C(=O)C(C)S 5f0b4f0462a910f6e090ee21395d7ce8 [0,2,0,0,0,0|2,0,0]=4 1758 B9R0.6 CCCN(C)C(=O)[C@@H](C)F e782712db5b8ee728774ac72a43a603d [0,2,0,0,0,0|2,0,0]=4 1759 B9R0.6 CCCN(C)C(=O)[C@@H](C)O f80f3cfbca28b39cb3f8745f6e99fdda [0,2,0,0,0,0|2,0,0]=4 1760 B9R0.6 CCCN(C)C(=O)[C@H](C)F a60a31ff0050b494d7b23738f2bc98c3 [0,2,0,0,0,0|2,0,0]=4 1761 B9R0.6 CCCN(C)C(=O)[C@H](C)O a059ee6ab56b23b3d5ba157665606572 [0,2,0,0,0,0|2,0,0]=4 1762 B9R0.6 CCNC(C)C(=O)N(C)C 296cbb80207ffcac45641baac50d983e [0,2,0,0,0,0|2,0,0]=4 1763 B9R0.6 CCN[C@@H](C)C(=O)N(C)C a59bf0a446bc25fef7ca2374c2e73699 [0,2,0,0,0,0|2,0,0]=4 1764 B9R0.6 CCOC(C)C(=O)N(C)C dee4d9612b773cf3966a29a28694a5b1 [0,2,0,0,0,0|2,0,0]=4 1765 B9R0.6 CCO[C@H](C)C(=O)N(C)C 13cc5b07395d8a254ef5fa9be7bf6a14 [0,2,0,0,0,0|2,0,0]=4 1766 B9R0.12 C=CC(OCC)C(=O)OC ba17400c182b6eb52292b1acf453e8ee [0,2,0,0,0,0|1,0,0]=3 1767 B9R0.12 C=CC(OCF)C(=O)OC ccff08743d657056348a3eff2ee69f64 [0,2,0,0,0,0|2,0,0]=4 1768 B9R0.12 CCC(OCF)C(=O)OC 55687e90d4b2f1392f8b02b104acbf03 [0,2,0,0,0,0|2,0,0]=4 1769 B9R0.12 CCCN(CC)C(=O)CC cb71ae41710f8d3a5ad167a9d95c6ac7 [0,2,0,0,0,0|2,0,0]=4 1770 B9R0.12 CCNC(C#N)C(=O)OC 2a2b6bcd48014bb369c11522fdd4163a [0,2,0,0,0,0|1,0,0]=3 1771 B9R0.12 CCNC(CC)C(=O)NC 2e9e59786ec48c057ad8574cac760264 [0,2,0,0,0,0|2,0,0]=4 1772 B9R0.12 CCNC(CO)C(=O)NC a8a743f54ce5e65411957d3e2de1f0b1 [0,2,0,0,0,0|2,0,0]=4 1773 B9R0.12 CCNC(CO)C(=O)OC 70d20069b7c2c33b6735ce5c2d2d9890 [0,2,0,0,0,0|1,0,0]=3 1774 B9R0.12 CCN[C@@H](CC)C(=O)OC 999d31d45781ad98aaae06f410e03277 [0,2,0,0,0,0|1,0,0]=3 1775 B9R0.12 CCN[C@@H](CO)C(=O)OC 783f1436070e4ef27e239c2bc5ae76f8 [0,2,0,0,0,0|1,0,0]=3 1776 B9R0.12 CCN[C@@H](CS)C(=O)OC a3ae20d2eca73c3d6eb7c5baec80f314 [0,2,0,0,0,0|1,0,0]=3 1777 B9R0.12 CCN[C@H](CC)C(=O)OC 56b2ee816420f8b5360e16d9be2a9530 [0,2,0,0,0,0|1,0,0]=3 1778 B9R0.12 CCN[C@H](CO)C(=O)OC 7e7907490e3448d34d068e96647db937 [0,2,0,0,0,0|1,0,0]=3 1779 B9R0.12 CCOC(C#N)C(=O)OC 7550b9a56c75dcfedb89f20d340f3156 [0,2,0,0,0,0|1,0,0]=3 1780 B9R0.12 CCOC(CC)C(=O)CC dc229763be7b8d495a3c742a2765e48c [0,2,0,0,0,0|2,0,0]=4 1781 B9R0.12 CCOC(CC)C(=O)OC dafeac8a9e49a0ca9bcc192bdedd1ece [0,2,0,0,0,0|1,0,0]=3 1782 B9R0.12 CCOC(OC)C(=O)OC 739d4987749edc9d825824bfb39658eb [0,2,0,0,0,0|1,0,0]=3 1783 B9R0.12 CCO[C@@H](CC)C(=O)OC 5a2831785b533bb4fd647aebbcb4d403 [0,2,0,0,0,0|1,0,0]=3 1784 B9R0.12 CCO[C@H](CC)C(=O)OC 46c21ea7eed63401aa22bf6ce0cd90ba [0,2,0,0,0,0|1,0,0]=3 1785 B9R0.12 CC[C@@H](NCF)C(=O)OC b99a81de7d006795f75701e16779bfe5 [0,2,0,0,0,0|2,0,0]=4 1786 B9R0.12 CC[C@@H](NCO)C(=O)OC e3105b67df5bad4f92666a3b6e1173c4 [0,2,0,0,0,0|2,0,0]=4 1787 B9R0.12 CC[C@@H](OCF)C(=O)OC 45b802a0d43e9cd94252abf26ce09d6a [0,2,0,0,0,0|2,0,0]=4 1788 B9R0.12 CC[C@H](NCF)C(=O)OC fe09686712e657a883068fd953ef01ba [0,2,0,0,0,0|2,0,0]=4 1789 B9R0.12 CC[C@H](NCO)C(=O)OC 8463a4624e847aa288aa293e75dbf577 [0,2,0,0,0,0|2,0,0]=4 1790 B9R0.12 CC[C@H](OCF)C(=O)OC d6495aac60b87cd28fd4ef32e8fedf64 [0,2,0,0,0,0|2,0,0]=4 1791 B9R0.12 COC(=O)C(C#N)NCF 0e280c2d66234310f47d895ddcb6ffae [0,2,0,0,0,0|2,0,0]=4 1792 B9R0.12 COC(=O)C(C#N)NCO 7e716ca0f21c18609594c31be183017b [0,2,0,0,0,0|2,0,0]=4 1793 B9R0.12 COC(=O)C(C#N)OCF 307083ff4f0693bd2c1c26b40042273f [0,2,0,0,0,0|2,0,0]=4 1794 B9R0.12 COC(=O)C(CO)NCF 05a3cdbef1c43bbbbb750972720cce7f [0,2,0,0,0,0|2,0,0]=4 1795 B9R0.12 COC(=O)C(CO)NCO 490a01e735ac8beed75787032171bfd0 [0,2,0,0,0,0|2,0,0]=4 1796 B9R0.12 COC(=O)C(OC)OCF 35701b00d6eacb6776bf0026fcf9efab [0,2,0,0,0,0|2,0,0]=4 1797 B9R0.12 COC(=O)[C@@H](CO)NCF 5a4f29f3b864a135ca88e819d5197e28 [0,2,0,0,0,0|2,0,0]=4 1798 B9R0.12 COC(=O)[C@@H](CO)NCO b6672a3c8bf1a26774fa3fabbfd28c44 [0,2,0,0,0,0|2,0,0]=4 1799 B9R0.12 COC(=O)[C@H](CO)NCF c5a3b4340058b0343db6536181caf138 [0,2,0,0,0,0|2,0,0]=4 1800 B9R0.12 COC(=O)[C@H](CO)NCO 9d0486434e441b0c73b71f38fe1e9b35 [0,2,0,0,0,0|2,0,0]=4 1801 B9R0.12 COC(=O)[C@H](CS)NCF 179f28a0e2ef956d74ac4b4057c8a7bc [0,2,0,0,0,0|2,0,0]=4 1802 B9R0.12 COC(=O)[C@H](CS)NCO 6d645cba1b3428d2851946128e307ff2 [0,2,0,0,0,0|2,0,0]=4 1803 B9R0.23 CCC(=O)C(C)OC(C)C 6708ce163703160d902bfc07165cab40 [0,2,0,0,0,0|2,0,0]=4 1804 B9R0.23 CCC(=O)N(C)CC(C)C cde337ffe0e19d9cd079efccf11733b4 [0,2,0,0,0,0|2,0,0]=4 1805 B9R0.23 CCC(=O)N(C)CC(C)O b37926e3e0139f5802fffee824863659 [0,2,0,0,0,0|2,0,0]=4 1806 B9R0.23 CCC(=O)N(C)C[C@H](C)O d094a8f9fbd58446360aa9a2aa1c6626 [0,2,0,0,0,0|2,0,0]=4 1807 B9R0.23 CNC(=O)C(C)NC(C)C 65730d825f5aa2039cafe89553f0261e [0,2,0,0,0,0|2,0,0]=4 1808 B9R0.23 CNC(=O)C(C)OC(C)C 46f15ef48ceb11e6fe5f6e111f40a3c3 [0,2,0,0,0,0|2,0,0]=4 1809 B9R0.23 COC(=O)C(C)OC(C)C a0a379023719ce693b1d023cd8b5033b [0,2,0,0,0,0|1,0,0]=3 1810 B9R0.23 COC(=O)[C@@H](C)OC(C)C 00855389155a20f77742c699f5d3beaf [0,2,0,0,0,0|1,0,0]=3 1811 B9R0.23 COC(=O)[C@H](C)OC(C)C e76a681e1150bbf690cc71533af4c7e6 [0,2,0,0,0,0|1,0,0]=3 1812 B9R0.27 CCC(=O)C(C)N(C)CC 80d04c9c6919b30b17f31203560fa1e5 [0,2,0,0,0,0|2,0,0]=4 1813 B9R0.27 CCC(=O)N(C)C(C)CC bde5342d9c864dc0699d63b7cff28f18 [0,2,0,0,0,0|2,0,0]=4 1814 B9R0.27 CCN(C)C(=O)C(=O)OC 356657e2714d07f9eafe225612663087 [0,2,0,0,0,0|1,0,1]=4 1815 B9R0.27 CCN(C)C(C)C(=O)NC 07964eb143b612726fe0fce8a508cb23 [0,2,0,0,0,0|2,0,0]=4 1816 B9R0.27 CCN(C)C(C)C(=O)OC 2ce66a10778347f29731811a6719d051 [0,2,0,0,0,0|1,0,0]=3 1817 B9R0.27 CCN(C)[C@@H](C)C(=O)OC 6d44433b9c40980fb7ee5f9a4bba1762 [0,2,0,0,0,0|1,0,0]=3 1818 B9R0.27 CCN(C)[C@H](C)C(=O)OC 66b78c8403f67c8c0912bf60edf2a5f6 [0,2,0,0,0,0|1,0,0]=3 1819 B9R0.27 COC(=O)C(C)N(C)CF 30dc338c99925ba3f8390d22507c7f66 [0,2,0,0,0,0|2,0,0]=4 1820 B9R0.27 COC(=O)C(C)N(C)CO 34ab813a548bcdd69a229f8ba1cde927 [0,2,0,0,0,0|2,0,0]=4 1821 B9R0.60 CCNC(C)(C)C(=O)OC de68fe61a044feebd40569c7fa579e60 [0,2,0,0,0,0|1,0,0]=3 1822 B9R0.60 COC(=O)C(C)(C)NCF 0dea610a7c52f5bdd4f13839b8127c6e [0,2,0,0,0,0|2,0,0]=4 1823 B9R0.60 COC(=O)C(C)(C)NCO 5a3cecd4c261eaca342e63cedbd0f6b9 [0,2,0,0,0,0|2,0,0]=4 1824 B9R0.1 C#CC(=O)NCCC(C)C ab400f6b7166fed0666f6daf0c7c788f [0,2,0,0,0,0|1,0,1]=4 1825 B9R0.1 C#CC(=O)NCCC(C)O 0a271e484191d63957d29a982cdbb6de [0,2,0,0,0,0|1,0,1]=4 1826 B9R0.1 C#CC(=O)NCC[C@@H](C)O 6ee57ba67d49f2c5ef58dcf3b74a20db [0,2,0,0,0,0|1,0,1]=4 1827 B9R0.1 C#CC(=O)NCC[C@H](C)O 191129d5b02480ef54c830bc828fe028 [0,2,0,0,0,0|1,0,1]=4 1828 B9R0.1 C=C(Br)CNCC(=O)OC fdab228507d1733658566d2550ee5bcc [0,2,0,0,0,0|0,0,2]=4 1829 B9R0.1 C=C(Br)COCC(=O)OC 7bb79987d0416fbb7eadaab1bb1c908f [0,2,0,0,0,0|0,0,2]=4 1830 B9R0.1 C=C(C)CCNC(=O)CC c0849ae324a4527830c5955e89b51c09 [0,2,0,0,0,0|1,0,1]=4 1831 B9R0.1 C=C(C)CNCC(=C)OC 28e608cc8dfe414d8c58c2c36c2ac099 [0,2,0,0,0,0|1,0,1]=4 1832 B9R0.1 C=C(C)CNCC(=O)CC cd454918bf8eb86d4e5c362f8a3004ea [0,2,0,0,0,0|1,0,1]=4 1833 B9R0.1 C=C(C)CNCC(=O)NC fbde083ce8d8a2cff785f4d8c062baa1 [0,2,0,0,0,0|1,0,1]=4 1834 B9R0.1 C=C(C)CNCC(=O)OC c333e980167d9fefdd828559eb49e425 [0,2,0,0,0,0|0,0,1]=3 1835 B9R0.1 C=C(C)COCC(=C)OC 3af4b44923555d9ed756ea233d611a69 [0,2,0,0,0,0|1,0,1]=4 1836 B9R0.1 C=C(C)COCC(=O)CC 99655a47b1d4e2a1598c06aa759ad9bc [0,2,0,0,0,0|1,0,1]=4 1837 B9R0.1 C=C(C)COCC(=O)NC 5b65010df5794686ec07c4d328d5487e [0,2,0,0,0,0|1,0,1]=4 1838 B9R0.1 C=C(C)COCC(=O)OC ef2f938506a463bb6101f9cac476c9e5 [0,2,0,0,0,0|0,0,1]=3 1839 B9R0.1 C=C(CC)CNCC(C)C 70e2d15e6a6ad9de05cec0c1a87983c3 [0,2,0,0,0,0|2,0,0]=4 1840 B9R0.1 C=C(CC)CNCC(C)O 9ad70cef66f7cc9126e041697212d2f8 [0,2,0,0,0,0|2,0,0]=4 1841 B9R0.1 C=C(CC)CNC[C@@H](C)O f6b87dc1b913103a2e2c15cfea378c9c [0,2,0,0,0,0|2,0,0]=4 1842 B9R0.1 C=C(CC)CNC[C@H](C)O 375c2730045f4149617bf401beaea96b [0,2,0,0,0,0|2,0,0]=4 1843 B9R0.1 C=C(CC)COCC(C)C 0cc98b8b2f556725175a011e62258e27 [0,2,0,0,0,0|2,0,0]=4 1844 B9R0.1 C=C(CC)COCC(C)F b36668df105bf1f4d4190f8bed2d2dd9 [0,2,0,0,0,0|2,0,0]=4 1845 B9R0.1 C=C(CC)COCC(C)S e2dad71342e28fcfcdd5bfae94b2fa81 [0,2,0,0,0,0|2,0,0]=4 1846 B9R0.1 C=C(CC)COC[C@@H](C)F 29a5745fe5902bd2a48546030eba10d2 [0,2,0,0,0,0|2,0,0]=4 1847 B9R0.1 C=C(CC)COC[C@H](C)F d480eac13a3a9a5513a1c0d8276bba3d [0,2,0,0,0,0|2,0,0]=4 1848 B9R0.1 C=C(CNCC(=O)C)OC b39ddd803e0868ca46809ac47789f196 [0,2,0,0,0,0|1,0,1]=4 1849 B9R0.1 C=C(CNCC(C)C)OC bf9b4f59f58eaec222a3a6cdd8a92bd5 [0,2,0,0,0,0|1,0,0]=3 1850 B9R0.1 C=C(CNCC(C)O)OC f2ce10bc8c3506268b8a2dc5bfec215d [0,2,0,0,0,0|1,0,0]=3 1851 B9R0.1 C=C(CNCC(F)F)OC 789e8503f88a8ea66ae663105de95704 [0,2,0,0,0,0|2,0,0]=4 1852 B9R0.1 C=C(CNC[C@@H](C)O)OC 1a33465ce3ac8fff2511c4f5b7f1135e [0,2,0,0,0,0|1,0,0]=3 1853 B9R0.1 C=C(CNC[C@H](C)O)OC 1329b71bf6831cbec9b01177a58eedc3 [0,2,0,0,0,0|1,0,0]=3 1854 B9R0.1 C=C(COCC(=O)C)OC 09928f8b08416c32c791a53bc763a5ea [0,2,0,0,0,0|1,0,1]=4 1855 B9R0.1 C=C(COCC(C)C)OC 521b02cb87efe41e53290b0868255ca0 [0,2,0,0,0,0|1,0,0]=3 1856 B9R0.1 C=C(COCC(C)F)OC 5bda66444f5cbac6f36df2befdc0fd32 [0,2,0,0,0,0|1,0,0]=3 1857 B9R0.1 C=C(COCC(C)S)OC 15c67f9238e46fcb84ffafd4d0a0a825 [0,2,0,0,0,0|1,0,0]=3 1858 B9R0.1 C=C(COCC(F)F)OC a2d8b0ed088d5c0a16d3dcf258a5e5c5 [0,2,0,0,0,0|2,0,0]=4 1859 B9R0.1 C=C(COC[C@@H](C)F)OC 18b2024a3c402946f10b1f62ac3e1a64 [0,2,0,0,0,0|1,0,0]=3 1860 B9R0.1 C=C(COC[C@H](C)F)OC 754e32c805ca08c867e9f5b1c04c66fa [0,2,0,0,0,0|1,0,0]=3 1861 B9R0.1 C=C(Cl)CNCC(=O)OC 560a2c6b60f462dc680bd8d00682c5d0 [0,2,0,0,0,0|0,0,2]=4 1862 B9R0.1 C=C(Cl)COCC(=O)OC 504d35413c6dde3f70bc00d9c50efd19 [0,2,0,0,0,0|0,0,2]=4 1863 B9R0.1 C=C(F)CNCC(=O)OC 38b03005d15104b0ac50fda176f68a28 [0,2,0,0,0,0|0,0,2]=4 1864 B9R0.1 C=C(F)COCC(=O)OC c0974ae63b493d16f1c408ca213ad4f4 [0,2,0,0,0,0|0,0,2]=4 1865 B9R0.1 C=C(I)COCC(=O)OC 9dd33c46b90e4223d80b0020a345db61 [0,2,0,0,0,0|0,0,2]=4 1866 B9R0.1 C=CC(=O)NCCC(C)C 3eac58699bc526229809032762dcd7ee [0,2,0,0,0,0|1,0,1]=4 1867 B9R0.1 C=CC(=O)NCCC(C)O 008a52cf2dca8e7c1e23b81639bb6755 [0,2,0,0,0,0|1,0,1]=4 1868 B9R0.1 C=CC(=O)NCC[C@@H](C)O 28dba9c045f1f465900b10b663ac039a [0,2,0,0,0,0|1,0,1]=4 1869 B9R0.1 C=CC(=O)NCC[C@H](C)O 6c52302fd5dd8f1ddb807dd5e32c4406 [0,2,0,0,0,0|1,0,1]=4 1870 B9R0.1 CC(C)CCNC(=O)C=O 3e18bda81d0213cfda084da64572a73c [0,2,0,0,0,0|2,0,0]=4 1871 B9R0.1 CC(C)CCNC(=O)CF ae30f120fb51a70967c828ddab28084f [0,2,0,0,0,0|2,0,0]=4 1872 B9R0.1 CC(C)CCNC(=O)CO fccf2f1416923531307bedc30f22484d [0,2,0,0,0,0|2,0,0]=4 1873 B9R0.1 CC(C)CCNC(=O)CS 9b985f09b4180fe941275afc381f1265 [0,2,0,0,0,0|2,0,0]=4 1874 B9R0.1 CC(C)CNCC(=O)CO ee418b1e31d09b89331f9ca774457c43 [0,2,0,0,0,0|2,0,0]=4 1875 B9R0.1 CC(C)CNCC(=O)NO 135c365afbac52555b37c8c2533721ab [0,2,0,0,0,0|2,0,0]=4 1876 B9R0.1 CC(C)NCCC(=O)NO 82d2f393212433db94ed45a332a78d9e [0,2,0,0,0,0|2,0,0]=4 1877 B9R0.1 CC(O)CCNC(=O)C=O 500a57bebfd5261d3f0f8c9320411135 [0,2,0,0,0,0|2,0,0]=4 1878 B9R0.1 CC(O)CCNC(=O)CF 7c4df54bb4c03e0cfed039993eb83c4a [0,2,0,0,0,0|2,0,0]=4 1879 B9R0.1 CC(O)CCNC(=O)CO bea318e52af2faf0abfc14754050cafc [0,2,0,0,0,0|2,0,0]=4 1880 B9R0.1 CC(O)CCNC(=O)CS c0d269a5f96db7c36bd65f277c5f2e77 [0,2,0,0,0,0|2,0,0]=4 1881 B9R0.1 CC(O)CNCC(=O)CO 6b4b0f5a2695c38dccc74856e24bd074 [0,2,0,0,0,0|2,0,0]=4 1882 B9R0.1 CC(O)CNCC(=O)NO 6e73041981f85b6af4f7ae6484b1fe5b [0,2,0,0,0,0|2,0,0]=4 1883 B9R0.1 CCC(=O)CNCC(=O)C 938d73b249bc6dd4594641d324714cb6 [0,2,0,0,0,0|1,0,1]=4 1884 B9R0.1 CCC(=O)CNCC(C)C f89eb8c1da421bdd2c2a0f52a3227e7b [0,2,0,0,0,0|1,0,0]=3 1885 B9R0.1 CCC(=O)CNCC(C)O a20b1e849513a8941047bd9c440c4344 [0,2,0,0,0,0|1,0,0]=3 1886 B9R0.1 CCC(=O)CNCC(F)F d66817a0ce898dc03b9c7846576cf19d [0,2,0,0,0,0|2,0,0]=4 1887 B9R0.1 CCC(=O)CNC[C@@H](C)O 2e3fedb1efa9f0f66bc486911a9f8e3a [0,2,0,0,0,0|1,0,0]=3 1888 B9R0.1 CCC(=O)CNC[C@H](C)O 61f52c4a5ade0238ce10614525e75211 [0,2,0,0,0,0|1,0,0]=3 1889 B9R0.1 CCC(=O)COCC(=O)C c66cb35c51394e114e947994917edf5c [0,2,0,0,0,0|1,0,1]=4 1890 B9R0.1 CCC(=O)COCC(C)C 1c45ddeeaf5a279e0fccbc8ffb25aed9 [0,2,0,0,0,0|1,0,0]=3 1891 B9R0.1 CCC(=O)COCC(C)F 91df8a377e9f937cdf7b9a4dbc1d8ea9 [0,2,0,0,0,0|1,0,0]=3 1892 B9R0.1 CCC(=O)COCC(C)S d1be480c334d894200d3e9bbcc1d4bf5 [0,2,0,0,0,0|1,0,0]=3 1893 B9R0.1 CCC(=O)COCC(F)F c2c5fb500a4ef7915de6dad6aceb9f05 [0,2,0,0,0,0|2,0,0]=4 1894 B9R0.1 CCC(=O)COCN(C)C dd8de0eeed69111efd83350139ed50fc [0,2,0,0,0,0|2,0,0]=4 1895 B9R0.1 CCC(=O)COC[C@@H](C)F caad4436b920c8b328478f7df99675f5 [0,2,0,0,0,0|1,0,0]=3 1896 B9R0.1 CCC(=O)COC[C@H](C)F afd400ebd46039e71d2dcae521490671 [0,2,0,0,0,0|1,0,0]=3 1897 B9R0.1 CCC(=O)NCCC(C)C 15f0ff154b73608d9b867dc114dba5c0 [0,2,0,0,0,0|1,0,0]=3 1898 B9R0.1 CCC(=O)NCCC(C)O 2aec2e6bb9fbc54ce13f19b2630a008a [0,2,0,0,0,0|1,0,0]=3 1899 B9R0.1 CCC(=O)NCCC(F)F a661ae0ff1bde5e4e25bfaa09812b815 [0,2,0,0,0,0|2,0,0]=4 1900 B9R0.1 CCC(=O)NCCN(C)C 3fd654a68244f1306eb040b308a88ab5 [0,2,0,0,0,0|2,0,0]=4 1901 B9R0.1 CCC(=O)NCCS(=O)C 0a43abd0c9593f06f1b54bc82efd02c1 [0,2,0,0,0,0|2,0,0]=4 1902 B9R0.1 CCC(=O)NCC[C@@H](C)O dc1da85b4b434a8327a030b4b9c29cc5 [0,2,0,0,0,0|1,0,0]=3 1903 B9R0.1 CCC(=O)NCC[C@H](C)O e060f68859aae796ceb23995e0446069 [0,2,0,0,0,0|1,0,0]=3 1904 B9R0.1 CCC(=O)OCOC(C)C d2041b130de2bcfd6163156695ed2b3c [0,2,0,0,0,0|2,0,0]=4 1905 B9R0.1 CCS(=O)CCOC(C)C 7f20e4e9980affd6bc73c9352927640f [0,2,0,0,0,0|2,0,0]=4 1906 B9R0.1 CNC(=O)CCNC(=O)C f3a3033dad8e1aab7fc770fc0743d310 [0,2,0,0,0,0|1,0,1]=4 1907 B9R0.1 CNC(=O)CCNC(C)C 855f87f986c161aee85af79de8272fed [0,2,0,0,0,0|1,0,0]=3 1908 B9R0.1 CNC(=O)CCOC(C)C 6a47444c5a2c07745f4f7dfd64d3b1d6 [0,2,0,0,0,0|1,0,0]=3 1909 B9R0.1 CNC(=O)CNCC(=O)C 9553722055197c716954dc86f447aeb4 [0,2,0,0,0,0|1,0,1]=4 1910 B9R0.1 CNC(=O)CNCC(C)C 3221640b219bd78ec2bb8c18ad769fcf [0,2,0,0,0,0|1,0,0]=3 1911 B9R0.1 CNC(=O)CNCC(C)O a28ef65677ab53cd6c02da4523df1161 [0,2,0,0,0,0|1,0,0]=3 1912 B9R0.1 CNC(=O)CNCC(F)F c34703ce57499eb6a15c69657f86fb8a [0,2,0,0,0,0|2,0,0]=4 1913 B9R0.1 CNC(=O)CNCN(C)C 4fdd37483f99f0a734ac1b77c7bf7496 [0,2,0,0,0,0|2,0,0]=4 1914 B9R0.1 CNC(=O)CNC[C@@H](C)O efcf8ffc667f53fed279c5d7a3af9870 [0,2,0,0,0,0|1,0,0]=3 1915 B9R0.1 CNC(=O)CNC[C@H](C)O 0c060a0a690e256b06eead82b2ad4d1e [0,2,0,0,0,0|1,0,0]=3 1916 B9R0.1 CNC(=O)COCC(=O)C ff89b93418e37b61debdb32dce14d587 [0,2,0,0,0,0|1,0,1]=4 1917 B9R0.1 CNC(=O)COCC(C)C 40c9e5555ca7067c1b75a79085d9227e [0,2,0,0,0,0|1,0,0]=3 1918 B9R0.1 CNC(=O)COCC(C)F fa52b6f3d1a0e8b904c6593f91cbafd7 [0,2,0,0,0,0|1,0,0]=3 1919 B9R0.1 CNC(=O)COCC(C)S 9a15f8cb95cc309974f4cd3bd405210f [0,2,0,0,0,0|1,0,0]=3 1920 B9R0.1 CNC(=O)COCC(F)F f1724df6495135872afb159e146dfcbe [0,2,0,0,0,0|2,0,0]=4 1921 B9R0.1 CNC(=O)COCN(C)C 665ee29b62254af7868c6011e1c8eb08 [0,2,0,0,0,0|2,0,0]=4 1922 B9R0.1 CNC(=O)COC[C@@H](C)F 5731cf667a988e44e01f3764bf2440c0 [0,2,0,0,0,0|1,0,0]=3 1923 B9R0.1 CNC(=O)COC[C@H](C)F 6084954275979d4120883ba62d3df961 [0,2,0,0,0,0|1,0,0]=3 1924 B9R0.1 COC(=O)CCNC(=O)C e469e5b7d171861926dc52d0d008b43a [0,2,0,0,0,0|0,0,1]=3 1925 B9R0.1 COC(=O)CCNC(C)C cca84c56a4f78d735d44ac567d8c7043 [0,2,0,0,0,0|0,0,0]=2 1926 B9R0.1 COC(=O)CCOC(C)C 60b3b0e4ed197bd9b785527450b784a6 [0,2,0,0,0,0|0,0,0]=2 1927 B9R0.1 COC(=O)CNCC(=O)C 2ffbe56641f2b1b2f85d79518ab23ece [0,2,0,0,0,0|0,0,1]=3 1928 B9R0.1 COC(=O)CNCC(=O)N 9163aa512c5802909ed25b2031da4389 [0,2,0,0,0,0|1,0,1]=4 1929 B9R0.1 COC(=O)CNCC(=O)O d413351b1bd64263dc30d4f78e9bad17 [0,2,0,0,0,0|1,0,1]=4 1930 B9R0.1 COC(=O)CNCC(C)C f4529cfb679f9748b0c64270201236cc [0,2,0,0,0,0|0,0,0]=2 1931 B9R0.1 COC(=O)CNCC(C)O 59a9a5fa9940991101df2294ecedabe2 [0,2,0,0,0,0|0,0,0]=2 1932 B9R0.1 COC(=O)CNCC(F)F 99a11b46419d1919f76e3d3e6287302f [0,2,0,0,0,0|1,0,0]=3 1933 B9R0.1 COC(=O)CNCN(C)C 0a2496fcd2e1da81aae705ca0c36b384 [0,2,0,0,0,0|1,0,0]=3 1934 B9R0.1 COC(=O)CNC[C@@H](C)O c0520f27f33031c361272483aa523927 [0,2,0,0,0,0|0,0,0]=2 1935 B9R0.1 COC(=O)CNC[C@H](C)O 0c585f1f65c56fea600dec50df736a15 [0,2,0,0,0,0|0,0,0]=2 1936 B9R0.1 COC(=O)CNC[N+](=O)[O-] 3550e6deda1b83c4a6f2e5056eddfcc5 [0,2,0,0,0,0|2,0,0]=4 1937 B9R0.1 COC(=O)COCC(=O)C c6badf6770087930f6d233ff5221dfc5 [0,2,0,0,0,0|0,0,1]=3 1938 B9R0.1 COC(=O)COCC(=O)N 2e55244adc2571962e17fc15e71f3607 [0,2,0,0,0,0|1,0,1]=4 1939 B9R0.1 COC(=O)COCC(=O)O ffa9d3a5a545c2957a369e509906e94d [0,2,0,0,0,0|1,0,1]=4 1940 B9R0.1 COC(=O)COCC(=S)N 074e27d2fc4b353e3abd9e34b073cda7 [0,2,0,0,0,0|1,0,1]=4 1941 B9R0.1 COC(=O)COCC(C)C 4b1318611fb3f76585445eae1c414e70 [0,2,0,0,0,0|0,0,0]=2 1942 B9R0.1 COC(=O)COCC(C)F ded48f7273675c40dff9df77741fd995 [0,2,0,0,0,0|0,0,0]=2 1943 B9R0.1 COC(=O)COCC(C)S 972eb2e1b84baea6663e77547a586ced [0,2,0,0,0,0|0,0,0]=2 1944 B9R0.1 COC(=O)COCC(F)F 5967460eac62631fab3c633dca5b4a80 [0,2,0,0,0,0|1,0,0]=3 1945 B9R0.1 COC(=O)COCN(C)C 68a7b0498b06764e3116c56a23a606fe [0,2,0,0,0,0|1,0,0]=3 1946 B9R0.1 COC(=O)COCS(=O)O 312ba3021bfe796259121a8421f51d8c [0,2,0,0,0,0|2,0,0]=4 1947 B9R0.1 COC(=O)COC[C@@H](C)F 2c354a5e8fdd5505f4e964176d19fdb9 [0,2,0,0,0,0|0,0,0]=2 1948 B9R0.1 COC(=O)COC[C@H](C)F 6ebc6b533639ba961e85b641e67b20d7 [0,2,0,0,0,0|0,0,0]=2 1949 B9R0.1 COC(=O)COC[N+](=O)[O-] ad5c4877c2121979a002df98934a7c85 [0,2,0,0,0,0|2,0,0]=4 1950 B9R0.1 COC(=O)OCOC(C)C 251eb519e02d8d49a94916f622d830be [0,2,0,0,0,0|1,0,0]=3 1951 B9R0.1 COC(C)CCOC(C)C 440b268fc3b233d78b6c56cb8499556f [0,2,0,0,0,0|1,0,1]=4 1952 B9R0.1 COC(C)CNCC(C)C 2dddbc6af97e22f2ec859ec5b4b72992 [0,2,0,0,0,0|1,0,1]=4 1953 B9R0.1 COC(C)CNCC(C)O 5fd1d65b077a8c5633f4869085479588 [0,2,0,0,0,0|1,0,1]=4 1954 B9R0.1 COC(C)CNC[C@@H](C)O 0e5e98320f401faf33be83dc51ca6dbd [0,2,0,0,0,0|1,0,1]=4 1955 B9R0.1 COC(C)CNC[C@H](C)O 936b04fea1fd5f3877817469cef5d4a7 [0,2,0,0,0,0|1,0,1]=4 1956 B9R0.1 COC(C)COCC(C)C ed67b1811a188d801c3377afc054ec5f [0,2,0,0,0,0|1,0,1]=4 1957 B9R0.1 COC(C)COCC(C)F 1f7456218598a536c78a207c62ca5882 [0,2,0,0,0,0|1,0,1]=4 1958 B9R0.1 COC(C)COCC(C)S 74b588b9f5e78fdfd76410ab56d7f9bd [0,2,0,0,0,0|1,0,1]=4 1959 B9R0.1 COC(C)COC[C@@H](C)F 5228880d6bb7e785a1f4313d38258aed [0,2,0,0,0,0|1,0,1]=4 1960 B9R0.1 COC(C)COC[C@H](C)F 64b2186e8b49fa2dadb2eadfd01ed496 [0,2,0,0,0,0|1,0,1]=4 1961 B9R0.1 CO[C@@H](C)CNCC(C)C 6cafc2d92cc5392574713b5e946a3346 [0,2,0,0,0,0|1,0,1]=4 1962 B9R0.1 CO[C@@H](C)CNCC(C)O b8336d2c7e0811265104673ca2403b02 [0,2,0,0,0,0|1,0,1]=4 1963 B9R0.1 CO[C@@H](C)CNC[C@@H](C)O c61c420e0083b18ad6b3aa1a8cf646fc [0,2,0,0,0,0|1,0,1]=4 1964 B9R0.1 CO[C@@H](C)CNC[C@H](C)O eb824fd53e0aecaabde27402d7640265 [0,2,0,0,0,0|1,0,1]=4 1965 B9R0.1 CO[C@@H](C)COCC(C)C 4d97cf15e0a5dc41a9e0fc41d5564171 [0,2,0,0,0,0|1,0,1]=4 1966 B9R0.1 CO[C@@H](C)COCC(C)F 863e64ffc2d12948a18ab5f34f22e8bb [0,2,0,0,0,0|1,0,1]=4 1967 B9R0.1 CO[C@@H](C)COCC(C)S c1869ece4fe97ce4a492f123f701cf7e [0,2,0,0,0,0|1,0,1]=4 1968 B9R0.1 CO[C@@H](C)COC[C@@H](C)F e0574ce922fb506db1c7e4ab1f40900d [0,2,0,0,0,0|1,0,1]=4 1969 B9R0.1 CO[C@@H](C)COC[C@H](C)F 54cb6ccc0adafb58a4e03c43783fb497 [0,2,0,0,0,0|1,0,1]=4 1970 B9R0.1 CO[C@H](C)CNCC(C)C 284d58f552741a463ef3d3ba62eebdf1 [0,2,0,0,0,0|1,0,1]=4 1971 B9R0.1 CO[C@H](C)CNCC(C)O 01b9d06b608862427e315bcad8c32ab5 [0,2,0,0,0,0|1,0,1]=4 1972 B9R0.1 CO[C@H](C)CNC[C@@H](C)O 6cc95f121665dfaa5bd6aa1377245ac6 [0,2,0,0,0,0|1,0,1]=4 1973 B9R0.1 CO[C@H](C)CNC[C@H](C)O 1bc3d741d908f657eb5a2becb235b602 [0,2,0,0,0,0|1,0,1]=4 1974 B9R0.1 CO[C@H](C)COCC(C)C 442b6bd65f36f3ee522bd26e4654ff96 [0,2,0,0,0,0|1,0,1]=4 1975 B9R0.1 CO[C@H](C)COCC(C)F 934427dcdfbab54089c1a2716054cfd8 [0,2,0,0,0,0|1,0,1]=4 1976 B9R0.1 CO[C@H](C)COCC(C)S 553a7d0767bb9501519fce97f258b25c [0,2,0,0,0,0|1,0,1]=4 1977 B9R0.1 CO[C@H](C)COC[C@@H](C)F b7a98d5f6299cc1ccb481662fb83f99c [0,2,0,0,0,0|1,0,1]=4 1978 B9R0.1 CO[C@H](C)COC[C@H](C)F c4fd15ba9e496dae093be98d3a6d451a [0,2,0,0,0,0|1,0,1]=4 1979 B9R0.1 C[C@@H](O)CCNC(=O)C=O 39832c64815f6d3c92ea5a825a51a324 [0,2,0,0,0,0|2,0,0]=4 1980 B9R0.1 C[C@@H](O)CCNC(=O)CF 9cc194dd6bae57ed21d1c6a3807cb763 [0,2,0,0,0,0|2,0,0]=4 1981 B9R0.1 C[C@@H](O)CCNC(=O)CO 0f403648615901397e48f6d9f0579495 [0,2,0,0,0,0|2,0,0]=4 1982 B9R0.1 C[C@@H](O)CCNC(=O)CS 5041dae96f818c0eb7fcd213a28aa8a7 [0,2,0,0,0,0|2,0,0]=4 1983 B9R0.1 C[C@@H](O)CNCC(=O)CO c4b1bfbab60225c4c1c90acf845e538d [0,2,0,0,0,0|2,0,0]=4 1984 B9R0.1 C[C@@H](O)CNCC(=O)NO 46b237d24ec9cc50d6b1a995633af109 [0,2,0,0,0,0|2,0,0]=4 1985 B9R0.1 C[C@H](O)CCNC(=O)C=O 3260c79bc167bb2c467ba0f7ea799ebb [0,2,0,0,0,0|2,0,0]=4 1986 B9R0.1 C[C@H](O)CCNC(=O)CF dccbd1b5eb2b603c877a00069e3b10a6 [0,2,0,0,0,0|2,0,0]=4 1987 B9R0.1 C[C@H](O)CCNC(=O)CO c73ce75cfe06fe5a627e4cd5009891c1 [0,2,0,0,0,0|2,0,0]=4 1988 B9R0.1 C[C@H](O)CCNC(=O)CS c3c8ad3bd970fc3ad723d2f4eede6a9b [0,2,0,0,0,0|2,0,0]=4 1989 B9R0.1 C[C@H](O)CNCC(=O)CO fdb7bd0552475296e5cbc57855b89671 [0,2,0,0,0,0|2,0,0]=4 1990 B9R0.1 C[C@H](O)CNCC(=O)NO c352129f10875414666752fe0d29f814 [0,2,0,0,0,0|2,0,0]=4 1991 B9R0.20 CCCNCC(C)(C)OC 215ba741e1fea792ee939ed089bac1f9 [0,2,0,0,0,0|1,0,1]=4 1992 B9R0.20 CCCNCS(=O)(=O)NC 7d1b119eb18ef83be384f90d68f54f66 [0,2,0,0,0,0|2,0,0]=4 1993 B9R0.20 CCCOCC(C)(C)OC b0132f24aae1823cfdbe56654d96e0c8 [0,2,0,0,0,0|1,0,1]=4 1994 B9R0.20 CCCOCS(=O)(=O)NC 1baf72a066f6fa0d9bf105b0122db3d8 [0,2,0,0,0,0|2,0,0]=4 1995 B9R0.20 CCNCCC(C)(C)OC 759e2c23c89584d945bb8b5d2865354c [0,2,0,0,0,0|1,0,1]=4 1996 B9R0.20 CCNCCS(=O)(=O)CC dc1023481f98845b77f6bd2c0f8e2c37 [0,2,0,0,0,0|2,0,0]=4 1997 B9R0.20 CCOCCC(C)(C)OC ce59ed67b298b951fcee54d5c3b7c886 [0,2,0,0,0,0|1,0,1]=4 1998 B9R0.20 CCOCCS(=O)(=O)CC e691dce057950d4af038db1a2f4416f2 [0,2,0,0,0,0|2,0,0]=4 1999 B9R0.20 CCOCCS(=O)(=O)OC f5462b9518353984b62ef118cf6fa88f [0,2,0,0,0,0|1,0,0]=3 2000 B9R0.20 COS(=O)(=O)CCOCF fa56cc06e422b3d7d5f03da0cd22af11 [0,2,0,0,0,0|2,0,0]=4 2001 B9R0.24 C#CC(=O)NCC(C)CC eeb3f1593ef5697a697231e5655cf5e5 [0,2,0,0,0,0|1,0,1]=4 2002 B9R0.24 C#CC(=O)NCC(O)CC a3064877d1f0e8465536a217f9016db8 [0,2,0,0,0,0|1,0,1]=4 2003 B9R0.24 C#CC(=O)NC[C@@H](C)CC 14264a207a356ac8bd8821577b0c36dd [0,2,0,0,0,0|1,0,1]=4 2004 B9R0.24 C#CC(=O)NC[C@H](O)CC 8b9853006def702ab3e26b6acdbcafac [0,2,0,0,0,0|1,0,1]=4 2005 B9R0.24 C#CC(C)NCC(=C)OC 3534f1558f44906dad7c56d4c131fa34 [0,2,0,0,0,0|2,0,0]=4 2006 B9R0.24 C#CC(C)NCC(=O)CC f796c1d751a64f4e8bf89a0aa2ee2a84 [0,2,0,0,0,0|2,0,0]=4 2007 B9R0.24 C#CC(C)NCC(=O)NC 2aeeeb3ef1b13a0437ba2139c9a58c57 [0,2,0,0,0,0|2,0,0]=4 2008 B9R0.24 C#CC(C)NCC(=O)OC d3111511e0f3b63da9cf8fbb6803bdcd [0,2,0,0,0,0|1,0,0]=3 2009 B9R0.24 C#CC(C)OCC(=C)OC 27098be557415a99cd0aa969e7550f15 [0,2,0,0,0,0|2,0,0]=4 2010 B9R0.24 C#CC(C)OCC(=O)CC 53a2cea42f25dbc85302556a70705b59 [0,2,0,0,0,0|2,0,0]=4 2011 B9R0.24 C#CC(C)OCC(=O)NC 9a85b43d578ef26c5d9b3e13cba25174 [0,2,0,0,0,0|2,0,0]=4 2012 B9R0.24 C#CC(C)OCC(=O)OC 3834f9929bdb310a6b6f26aa3aff2944 [0,2,0,0,0,0|1,0,0]=3 2013 B9R0.24 C#C[C@@H](C)NCC(=C)OC 9725993ca8caab264f701de9b31a7d99 [0,2,0,0,0,0|2,0,0]=4 2014 B9R0.24 C#C[C@@H](C)NCC(=O)CC 1050a848fa1e211abb75ea2bc044a1e7 [0,2,0,0,0,0|2,0,0]=4 2015 B9R0.24 C#C[C@@H](C)NCC(=O)NC 5b6acb99736fe2d8104b8d9f9c7421e5 [0,2,0,0,0,0|2,0,0]=4 2016 B9R0.24 C#C[C@@H](C)NCC(=O)OC f70b2489bdb7e036e2d5461d0aad8357 [0,2,0,0,0,0|1,0,0]=3 2017 B9R0.24 C#C[C@@H](C)OCC(=C)OC 59a7c392d11745145ba6e70879b0b3d8 [0,2,0,0,0,0|2,0,0]=4 2018 B9R0.24 C#C[C@@H](C)OCC(=O)CC 51b39c93422b37b3faa86aa7770f25bc [0,2,0,0,0,0|2,0,0]=4 2019 B9R0.24 C#C[C@@H](C)OCC(=O)NC c644ebf32e459d68116a1d60cc40c6d6 [0,2,0,0,0,0|2,0,0]=4 2020 B9R0.24 C#C[C@@H](C)OCC(=O)OC 4a93ad57e77e78a44764b6d964c53854 [0,2,0,0,0,0|1,0,0]=3 2021 B9R0.24 C#C[C@H](C)NCC(=C)OC 97b51d5fa76f8cc2881b848bb25e600d [0,2,0,0,0,0|2,0,0]=4 2022 B9R0.24 C#C[C@H](C)NCC(=O)CC bbbe7ca7077532518435cb97cd42d2db [0,2,0,0,0,0|2,0,0]=4 2023 B9R0.24 C#C[C@H](C)NCC(=O)NC 1048c63f8fa267c6df7e7bc43e1c281b [0,2,0,0,0,0|2,0,0]=4 2024 B9R0.24 C#C[C@H](C)NCC(=O)OC 7e17f72d06f7ebbab6d4051854da7b9a [0,2,0,0,0,0|1,0,0]=3 2025 B9R0.24 C#C[C@H](C)OCC(=C)OC ce74ffd21b3070d1e5ade052cb29a1c7 [0,2,0,0,0,0|2,0,0]=4 2026 B9R0.24 C#C[C@H](C)OCC(=O)CC b4cf5e564dc02334671174fa4af3a9eb [0,2,0,0,0,0|2,0,0]=4 2027 B9R0.24 C#C[C@H](C)OCC(=O)NC 060176b17635797ad6f3a13fccd0469e [0,2,0,0,0,0|2,0,0]=4 2028 B9R0.24 C#C[C@H](C)OCC(=O)OC d95b66e1f6f317e6a47b949ce99cc02f [0,2,0,0,0,0|1,0,0]=3 2029 B9R0.24 C=C(CC)CNC(C)CC a13c5b93760ac15cea8f8b85ea84061f [0,2,0,0,0,0|2,0,0]=4 2030 B9R0.24 C=C(CC)CN[C@@H](C)CC d8dfcde2e49178ef14a7926aa1242c6a [0,2,0,0,0,0|2,0,0]=4 2031 B9R0.24 C=C(CC)CN[C@H](C)CC da39420bf731bffc50f8dbdc737d52e3 [0,2,0,0,0,0|2,0,0]=4 2032 B9R0.24 C=C(CC)COC(C)CC c924422973408063b333741d53956feb [0,2,0,0,0,0|2,0,0]=4 2033 B9R0.24 C=C(CC)CO[C@@H](C)CC 5ebe813242e8c3d384ebdcae6d991e44 [0,2,0,0,0,0|2,0,0]=4 2034 B9R0.24 C=C(CC)CO[C@H](C)CC 46ba7758c94cfcc1174599b5da72113f [0,2,0,0,0,0|2,0,0]=4 2035 B9R0.24 C=C(CNC(C)C#N)OC b0e7780fdc8b1037fc5eab755e4ffe75 [0,2,0,0,0,0|2,0,0]=4 2036 B9R0.24 C=C(CNC(C)CC)OC 199745e170d7136057adf692fc38bc38 [0,2,0,0,0,0|1,0,0]=3 2037 B9R0.24 C=C(CNC(C)CO)OC 7ed9c274e3583d47745d164a348d8b36 [0,2,0,0,0,0|2,0,0]=4 2038 B9R0.24 C=C(CN[C@@H](C)CC)OC 10f721623084d5e042fa686b6aba21f6 [0,2,0,0,0,0|1,0,0]=3 2039 B9R0.24 C=C(CN[C@@H](C)CO)OC 24349e6113f8cfabca61d315d9c14d02 [0,2,0,0,0,0|2,0,0]=4 2040 B9R0.24 C=C(CN[C@H](C)CC)OC 36d91e5ccdad465db0f3ec237f974baa [0,2,0,0,0,0|1,0,0]=3 2041 B9R0.24 C=C(CN[C@H](C)CO)OC b477e2c15eeb7635d940752d0dc57230 [0,2,0,0,0,0|2,0,0]=4 2042 B9R0.24 C=C(COC(C)C=O)OC 98644212147182e827fc774fa67e3a05 [0,2,0,0,0,0|2,0,0]=4 2043 B9R0.24 C=C(COC(C)CC)OC 58b6feaf19e6f1997c779268ea3fd7b1 [0,2,0,0,0,0|1,0,0]=3 2044 B9R0.24 C=C(COC(C)CF)OC 51cf833942233803eb30e15a731946de [0,2,0,0,0,0|2,0,0]=4 2045 B9R0.24 C=C(COC(C)CS)OC e4e96e57af5d4721f79d62882779f76c [0,2,0,0,0,0|2,0,0]=4 2046 B9R0.24 C=C(CO[C@@H](C)CC)OC 5dbf68339d968dae26f268e1b4530471 [0,2,0,0,0,0|1,0,0]=3 2047 B9R0.24 C=C(CO[C@H](C)CC)OC 465be8e09831cc0a52bf3701e0ba6f9b [0,2,0,0,0,0|1,0,0]=3 2048 B9R0.24 C=C(CO[C@H](C)CS)OC bd06d82387b13dd5a693155f15bae87c [0,2,0,0,0,0|2,0,0]=4 2049 B9R0.24 C=CC(=O)NCC(C)CC 741b92221edb49a5786b80da6b26f931 [0,2,0,0,0,0|1,0,1]=4 2050 B9R0.24 C=CC(=O)NCC(O)CC b7e1f3cdc2c992d954fae7c24caef83b [0,2,0,0,0,0|1,0,1]=4 2051 B9R0.24 C=CC(=O)NC[C@@H](C)CC ed2dd0e0ee88d18345665ce5dc441f7e [0,2,0,0,0,0|1,0,1]=4 2052 B9R0.24 C=CC(=O)NC[C@H](O)CC 1eef8d96e2aed42a7bc2a42dc790e786 [0,2,0,0,0,0|1,0,1]=4 2053 B9R0.24 C=CC(C)NCC(=C)OC 0e75898de41970af7932429f456e5fb1 [0,2,0,0,0,0|2,0,0]=4 2054 B9R0.24 C=CC(C)NCC(=O)CC 5c7251900eb10597931ab8f3cda7e713 [0,2,0,0,0,0|2,0,0]=4 2055 B9R0.24 C=CC(C)NCC(=O)NC 9f11faee13ce92f32afe4b3d87933da4 [0,2,0,0,0,0|2,0,0]=4 2056 B9R0.24 C=CC(C)NCC(=O)OC 458ca9e0f72429bc5b6a0666dc9887f6 [0,2,0,0,0,0|1,0,0]=3 2057 B9R0.24 C=CC(C)OCC(=C)OC 8070285f1f53d3ea12964f832061596e [0,2,0,0,0,0|2,0,0]=4 2058 B9R0.24 C=CC(C)OCC(=O)CC 8a6123ac0ed3ab4e117b33e0b895afaa [0,2,0,0,0,0|2,0,0]=4 2059 B9R0.24 C=CC(C)OCC(=O)NC 5b2c0f48a713cd8eed93b4ec036a3f49 [0,2,0,0,0,0|2,0,0]=4 2060 B9R0.24 C=CC(C)OCC(=O)OC 49db1015aa1b9433cdff0d43f3b5ac9a [0,2,0,0,0,0|1,0,0]=3 2061 B9R0.24 C=C[C@H](C)OCC(=C)OC 4abbec2fbd942218b912b2a4ec0d61fa [0,2,0,0,0,0|2,0,0]=4 2062 B9R0.24 C=C[C@H](C)OCC(=O)CC b842eb9de1737f6179909f7de3bc6da4 [0,2,0,0,0,0|2,0,0]=4 2063 B9R0.24 C=C[C@H](C)OCC(=O)NC 94fe5bb638b75f9bdf5dc5c3834498ab [0,2,0,0,0,0|2,0,0]=4 2064 B9R0.24 C=C[C@H](C)OCC(=O)OC 3e0cc0a3880efc0cf26e8bb77e313458 [0,2,0,0,0,0|1,0,0]=3 2065 B9R0.24 CCC(=O)CNC(C)C#N 2734b0cfef84541eeba4e49b7616777e [0,2,0,0,0,0|2,0,0]=4 2066 B9R0.24 CCC(=O)CNC(C)CC 8a7f34411ea9ff22baecd2bec9987e81 [0,2,0,0,0,0|1,0,0]=3 2067 B9R0.24 CCC(=O)CNC(C)CO 5e60ba7c010ccf2781cfa187e60d9931 [0,2,0,0,0,0|2,0,0]=4 2068 B9R0.24 CCC(=O)CN[C@@H](C)CC cf0e7ed200bceabd78136172de6ecd6c [0,2,0,0,0,0|1,0,0]=3 2069 B9R0.24 CCC(=O)CN[C@@H](C)CO 74e011e2f77654864ab9844d772548df [0,2,0,0,0,0|2,0,0]=4 2070 B9R0.24 CCC(=O)CN[C@H](C)CC e6fe0f86a523db447d188f70083e09d0 [0,2,0,0,0,0|1,0,0]=3 2071 B9R0.24 CCC(=O)CN[C@H](C)CO f786f4989a36138fb02fa088b8f656d9 [0,2,0,0,0,0|2,0,0]=4 2072 B9R0.24 CCC(=O)COC(C)C=O 25411ec14f4db62cb3f86d6a0d4c0dcf [0,2,0,0,0,0|2,0,0]=4 2073 B9R0.24 CCC(=O)COC(C)CC 29d5bfcc3cb37f7ca0dad75c651a7aa4 [0,2,0,0,0,0|1,0,0]=3 2074 B9R0.24 CCC(=O)COC(C)CF 81a45643a713673f9a8cee2ff98f6a75 [0,2,0,0,0,0|2,0,0]=4 2075 B9R0.24 CCC(=O)COC(C)CS 984e285ab5f4a0ad9d6d8a292df0e276 [0,2,0,0,0,0|2,0,0]=4 2076 B9R0.24 CCC(=O)CO[C@@H](C)CC 83299bde6aa7b405212942272cb01c0d [0,2,0,0,0,0|1,0,0]=3 2077 B9R0.24 CCC(=O)CO[C@H](C)C=O aaa9aaa51c81ae4cd49c905b7bd7fd38 [0,2,0,0,0,0|2,0,0]=4 2078 B9R0.24 CCC(=O)CO[C@H](C)CC 22a053d890b84a836a154b9ddc55610a [0,2,0,0,0,0|1,0,0]=3 2079 B9R0.24 CCC(=O)CO[C@H](C)CS e24ec6525f0cb1fa141815260a562dff [0,2,0,0,0,0|2,0,0]=4 2080 B9R0.24 CCC(=O)NCC(=O)NC 8de52928441a61924092fabfe9a4462b [0,2,0,0,0,0|1,0,1]=4 2081 B9R0.24 CCC(=O)NCC(=O)OC 5f6ec2d5f91cea317b39ea7a589feebf [0,2,0,0,0,0|0,0,1]=3 2082 B9R0.24 CCC(=O)NCC(Br)CBr 01f2575e2b21b6681f7802d08c6817bf [0,2,0,0,0,0|2,0,0]=4 2083 B9R0.24 CCC(=O)NCC(C)C#N cd9581a60b35b97fd01e43e2e21cf614 [0,2,0,0,0,0|2,0,0]=4 2084 B9R0.24 CCC(=O)NCC(C)CC 7a5f4f534369b61d9e8fb6bbf4fc8b31 [0,2,0,0,0,0|1,0,0]=3 2085 B9R0.24 CCC(=O)NCC(C)CO fa40852dedb4d165bd8eab47072e49aa [0,2,0,0,0,0|2,0,0]=4 2086 B9R0.24 CCC(=O)NCC(F)CO da914e5d2d34db9e286a8be9de392042 [0,2,0,0,0,0|2,0,0]=4 2087 B9R0.24 CCC(=O)NCC(O)CC 0c6f585c4a613c01d94eec57c41006a2 [0,2,0,0,0,0|1,0,0]=3 2088 B9R0.24 CCC(=O)NCC(O)CO a9d4f4728b89c5e6414c2d930cfecd01 [0,2,0,0,0,0|2,0,0]=4 2089 B9R0.24 CCC(=O)NC[C@@H](C)CC 20f140a9a510d7ecd72cce257acfa2d6 [0,2,0,0,0,0|1,0,0]=3 2090 B9R0.24 CCC(=O)NC[C@@H](C)OC 2b4d3bc307acd070b3e7f7cf9dd3ff4c [0,2,0,0,0,0|2,0,0]=4 2091 B9R0.24 CCC(=O)NC[C@@H](F)CO 34d2ade9786628e93d038c004af4fa10 [0,2,0,0,0,0|2,0,0]=4 2092 B9R0.24 CCC(=O)NC[C@@H](O)CO 00282dbf7533c20a1e96c426773318a2 [0,2,0,0,0,0|2,0,0]=4 2093 B9R0.24 CCC(=O)NC[C@H](C)CO 2514ca8a6ee761d51abaccbd3a6de585 [0,2,0,0,0,0|2,0,0]=4 2094 B9R0.24 CCC(=O)NC[C@H](C)OC e43467fd548414270671303609820f3d [0,2,0,0,0,0|2,0,0]=4 2095 B9R0.24 CCC(=O)NC[C@H](F)CO 165da4e28535ba63ffe6dbdbb9b7c71e [0,2,0,0,0,0|2,0,0]=4 2096 B9R0.24 CCC(=O)NC[C@H](O)CC d28190137f6e71fee6c5823aba62fd52 [0,2,0,0,0,0|1,0,0]=3 2097 B9R0.24 CCC(=O)NC[C@H](O)CO 3a2fa83cc974a2501a0e0cdc5c896afd [0,2,0,0,0,0|2,0,0]=4 2098 B9R0.24 CCC(=O)OCN(C)CC a281a4ec29756b3b4107ca2ca9de7f75 [0,2,0,0,0,0|2,0,0]=4 2099 B9R0.24 CCC(C)CNC(=O)C=O 91d514cf28991274b1ca6d31974e5e31 [0,2,0,0,0,0|2,0,0]=4 2100 B9R0.24 CCC(C)CNC(=O)CF 62d42cdf2cc7f038e9e989a2ab9bdb8f [0,2,0,0,0,0|2,0,0]=4 2101 B9R0.24 CCC(C)CNC(=O)CO c83ed1127f884f4213e48db54a8973b6 [0,2,0,0,0,0|2,0,0]=4 2102 B9R0.24 CCC(C)CNC(=O)CS 583bdfa66e6c39cd626f1854cfe0c0b0 [0,2,0,0,0,0|2,0,0]=4 2103 B9R0.24 CCC(C)NCC(=O)CO 747086db77c014fda376410a8a49b40e [0,2,0,0,0,0|2,0,0]=4 2104 B9R0.24 CCC(C)NCC(=O)NC 2611a3dfb5b7c258664f7cb330ea6fec [0,2,0,0,0,0|1,0,0]=3 2105 B9R0.24 CCC(C)NCC(=O)NO 381df0511f7cfb53c95756cb7b77418d [0,2,0,0,0,0|2,0,0]=4 2106 B9R0.24 CCC(C)NCC(=O)OC 59c2530d5471f061d4aa62b34152d7d0 [0,2,0,0,0,0|0,0,0]=2 2107 B9R0.24 CCC(C)NCC(C)OC 55edc1328518eb237dcaf6438833db06 [0,2,0,0,0,0|1,0,1]=4 2108 B9R0.24 CCC(C)NC[C@@H](C)OC f2e0d4f1731446b12e8f6b77e83ed2ba [0,2,0,0,0,0|1,0,1]=4 2109 B9R0.24 CCC(C)NC[C@H](C)OC 896b9ec46450d8592d4c4b91aa4f4daf [0,2,0,0,0,0|1,0,1]=4 2110 B9R0.24 CCC(C)OCC(=O)NC fd2e488516bf2234fe71d5367b194c27 [0,2,0,0,0,0|1,0,0]=3 2111 B9R0.24 CCC(C)OCC(=O)OC 6aca864df4e41abf0022f5b67ba1eeb3 [0,2,0,0,0,0|0,0,0]=2 2112 B9R0.24 CCC(C)OCC(C)OC 55845eefb5c30d2fe9f4c69cf6821c58 [0,2,0,0,0,0|1,0,1]=4 2113 B9R0.24 CCC(C)OC[C@@H](C)OC 43633c9129aab3ee04d569f20ecdda3d [0,2,0,0,0,0|1,0,1]=4 2114 B9R0.24 CCC(C)OC[C@H](C)OC ac0d5cbc19428644b7bb99dc79ea7274 [0,2,0,0,0,0|1,0,1]=4 2115 B9R0.24 CCC(O)CNC(=O)C=O 589325bffb56b969b1f67eea67c8d0cc [0,2,0,0,0,0|2,0,0]=4 2116 B9R0.24 CCC(O)CNC(=O)CF 5703595eeaf3ecd363b7c14820e24fd8 [0,2,0,0,0,0|2,0,0]=4 2117 B9R0.24 CCC(O)CNC(=O)CO 0928fe22cca3c4eea08bea77b1ae9315 [0,2,0,0,0,0|2,0,0]=4 2118 B9R0.24 CCC(O)CNC(=O)CS a7aef8097f57ecee3e6d0de1b8bef33d [0,2,0,0,0,0|2,0,0]=4 2119 B9R0.24 CCN(C)CCC(=O)NC 2662066c50046d25efb4730369bf3acc [0,2,0,0,0,0|1,0,0]=3 2120 B9R0.24 CCN(C)CCC(=O)OC d4cf3afdf7bf67f420c8138d9cf71b21 [0,2,0,0,0,0|0,0,0]=2 2121 B9R0.24 CCN(C)CCS(=O)CC 39bfd8f0fe7b3e767bdac470393db6cc [0,2,0,0,0,0|2,0,0]=4 2122 B9R0.24 CCN(C)COC(=O)OC 7edde911e4bf2f7ddb416a1e0f67633c [0,2,0,0,0,0|1,0,0]=3 2123 B9R0.24 CC[C@@H](C)NCC(=O)CO d8b4c8bcceaf1479e8e5170a427a4480 [0,2,0,0,0,0|2,0,0]=4 2124 B9R0.24 CC[C@@H](C)NCC(=O)NC 0ca27b77de1e030aca1751b3aa23f4cf [0,2,0,0,0,0|1,0,0]=3 2125 B9R0.24 CC[C@@H](C)NCC(=O)OC 64edeba17979e2fe49241dd635a58ddb [0,2,0,0,0,0|0,0,0]=2 2126 B9R0.24 CC[C@@H](C)NCC(C)OC 9a69db503350f59975b69537785d2a81 [0,2,0,0,0,0|1,0,1]=4 2127 B9R0.24 CC[C@@H](C)NC[C@@H](C)OC 429e8c63c4ee8498501a17da1357f891 [0,2,0,0,0,0|1,0,1]=4 2128 B9R0.24 CC[C@@H](C)NC[C@H](C)OC 848ec56c015cf60e058219bcff8dbab1 [0,2,0,0,0,0|1,0,1]=4 2129 B9R0.24 CC[C@@H](C)OCC(=O)NC 817bc16c72cd78f6e12f450b6b571e69 [0,2,0,0,0,0|1,0,0]=3 2130 B9R0.24 CC[C@@H](C)OCC(=O)OC 3145e5d285e192d9dfaf26cd6f7644e4 [0,2,0,0,0,0|0,0,0]=2 2131 B9R0.24 CC[C@@H](C)OCC(C)OC c45a2cd48462924ae961bd42ed716210 [0,2,0,0,0,0|1,0,1]=4 2132 B9R0.24 CC[C@@H](C)OC[C@@H](C)OC f1c1280d7867d8a7c79f0b2ecb03af8b [0,2,0,0,0,0|1,0,1]=4 2133 B9R0.24 CC[C@@H](C)OC[C@H](C)OC 77b18b4de4f06aebd5e13e7034fa28b7 [0,2,0,0,0,0|1,0,1]=4 2134 B9R0.24 CC[C@@H](O)CNC(=O)C=O b2c16a451601358949d787dd856420b3 [0,2,0,0,0,0|2,0,0]=4 2135 B9R0.24 CC[C@@H](O)CNC(=O)CF ad570a8918919566498a65d0b9acf1d8 [0,2,0,0,0,0|2,0,0]=4 2136 B9R0.24 CC[C@@H](O)CNC(=O)CO 7575280e7285d9a3f58054ddb6e7bd3c [0,2,0,0,0,0|2,0,0]=4 2137 B9R0.24 CC[C@@H](O)CNC(=O)CS 54601b1a15927eccedc92db33a081850 [0,2,0,0,0,0|2,0,0]=4 2138 B9R0.24 CC[C@H](C)CNC(=O)C=O b152f22fd6d2bdaa800d838b41994c4f [0,2,0,0,0,0|2,0,0]=4 2139 B9R0.24 CC[C@H](C)CNC(=O)CF 54640882e6fae5c3ab1ad5ca09996f5a [0,2,0,0,0,0|2,0,0]=4 2140 B9R0.24 CC[C@H](C)CNC(=O)CO 71f236c0490b4515463a284ebbba7293 [0,2,0,0,0,0|2,0,0]=4 2141 B9R0.24 CC[C@H](C)CNC(=O)CS 479dfc2f85af34ba043b18392d8bbcea [0,2,0,0,0,0|2,0,0]=4 2142 B9R0.24 CC[C@H](C)NCC(=O)CO e9206ac8cc3cd983500ccf78b1aa4921 [0,2,0,0,0,0|2,0,0]=4 2143 B9R0.24 CC[C@H](C)NCC(=O)NC b6643c7b3c39b0dd63a44a929e3e3a20 [0,2,0,0,0,0|1,0,0]=3 2144 B9R0.24 CC[C@H](C)NCC(=O)OC 98f1fcbe76f73cc49ef7ab910e9d424b [0,2,0,0,0,0|0,0,0]=2 2145 B9R0.24 CC[C@H](C)NCC(C)OC 7f27bb0dae4e1029368e77efc005fe6c [0,2,0,0,0,0|1,0,1]=4 2146 B9R0.24 CC[C@H](C)NC[C@@H](C)OC 97532918064b07798c552f695b9fee18 [0,2,0,0,0,0|1,0,1]=4 2147 B9R0.24 CC[C@H](C)NC[C@H](C)OC b79c3809c8043cf1b5f79ff0ca006b0a [0,2,0,0,0,0|1,0,1]=4 2148 B9R0.24 CC[C@H](C)OCC(=O)NC 8cc4a5382b0da495d42bf9faf91f3972 [0,2,0,0,0,0|1,0,0]=3 2149 B9R0.24 CC[C@H](C)OCC(=O)OC 86df6380b1146d2c264ca4f2009c7f20 [0,2,0,0,0,0|0,0,0]=2 2150 B9R0.24 CC[C@H](C)OCC(C)OC 8b007a5ffba31eb0414267c9d1fb1089 [0,2,0,0,0,0|1,0,1]=4 2151 B9R0.24 CC[C@H](C)OC[C@@H](C)OC 74ddae12fdca8c59c4bc83df99dc0e69 [0,2,0,0,0,0|1,0,1]=4 2152 B9R0.24 CC[C@H](C)OC[C@H](C)OC abd7f4f9f60edbdce308cc07f1d2afb8 [0,2,0,0,0,0|1,0,1]=4 2153 B9R0.24 CNC(=O)CCN(C)C=O b308bd7b0dfa7826ea24ba8207d7f5bb [0,2,0,0,0,0|2,0,0]=4 2154 B9R0.24 CNC(=O)CCN(C)CF 604d9cdf4915a0d40990e7e63e0a5b13 [0,2,0,0,0,0|2,0,0]=4 2155 B9R0.24 CNC(=O)CCN(C)CO da1c6696a533c1b82536cbb225347937 [0,2,0,0,0,0|2,0,0]=4 2156 B9R0.24 CNC(=O)CNC(C)C#N b136190147fe1737043ab18b382d8472 [0,2,0,0,0,0|2,0,0]=4 2157 B9R0.24 CNC(=O)CNC(C)C=O 698c8eb478def56f2cd450ad51815ac7 [0,2,0,0,0,0|2,0,0]=4 2158 B9R0.24 CNC(=O)CNC(C)CO ec368f89ae3133e9914688d9526b3308 [0,2,0,0,0,0|2,0,0]=4 2159 B9R0.24 CNC(=O)CN[C@@H](C)CO 8531a9eb34ba0a4fc0ea4436f7489571 [0,2,0,0,0,0|2,0,0]=4 2160 B9R0.24 CNC(=O)CN[C@H](C)C=O c357bffb216055d81b43f97b397657c3 [0,2,0,0,0,0|2,0,0]=4 2161 B9R0.24 CNC(=O)CN[C@H](C)CO 4f02fcca7f221bc5a0c3d561312d2993 [0,2,0,0,0,0|2,0,0]=4 2162 B9R0.24 CNC(=O)COC(C)C=O 0f9ffdd0a4e53d39e9f10417b7f44ca4 [0,2,0,0,0,0|2,0,0]=4 2163 B9R0.24 CNC(=O)COC(C)CF 49d6358dc1b3bf9946b10d6c9c79dc03 [0,2,0,0,0,0|2,0,0]=4 2164 B9R0.24 CNC(=O)COC(C)CS 629d4a83d0e4b525b8645cb193ce09bd [0,2,0,0,0,0|2,0,0]=4 2165 B9R0.24 CNC(=O)CO[C@H](C)C=O c77ba360ef346258d801761b2fda89a0 [0,2,0,0,0,0|2,0,0]=4 2166 B9R0.24 CNC(=O)CO[C@H](C)CS 495aaa6f76c99ea9377664a3c1c75db0 [0,2,0,0,0,0|2,0,0]=4 2167 B9R0.24 COC(=O)CCN(C)C=O c30203a4eca8affce824fc80a9b45f76 [0,2,0,0,0,0|1,0,0]=3 2168 B9R0.24 COC(=O)CCN(C)CF df1ecc151d3c48659c12397496c94279 [0,2,0,0,0,0|1,0,0]=3 2169 B9R0.24 COC(=O)CCN(C)CO ab8817d781dac8c00b417de9f0f45392 [0,2,0,0,0,0|1,0,0]=3 2170 B9R0.24 COC(=O)CNC(=O)CF b3ead293da577a849ff28915b38843bb [0,2,0,0,0,0|1,0,1]=4 2171 B9R0.24 COC(=O)CNC(=O)CO d176581f5d9690d46fec33f4e68508b3 [0,2,0,0,0,0|1,0,1]=4 2172 B9R0.24 COC(=O)CNC(=O)CS 6e06f3ed9018d8a3d709b154968f670a [0,2,0,0,0,0|1,0,1]=4 2173 B9R0.24 COC(=O)CNC(C)C#N fc01721820eed30ba9b4b8cb59d5d728 [0,2,0,0,0,0|1,0,0]=3 2174 B9R0.24 COC(=O)CNC(C)C=O 2dfcf6cde44b92f9471ba53f321fd2aa [0,2,0,0,0,0|1,0,0]=3 2175 B9R0.24 COC(=O)CNC(C)CO 77bfeb42b55f78705d2d10d16062fb5d [0,2,0,0,0,0|1,0,0]=3 2176 B9R0.24 COC(=O)CN[C@@H](C)CO a8bf9a0ee8b1f8cec0f7a692c165f630 [0,2,0,0,0,0|1,0,0]=3 2177 B9R0.24 COC(=O)CN[C@H](C)C=O 1463b380ab51139274cc8359c96a1f75 [0,2,0,0,0,0|1,0,0]=3 2178 B9R0.24 COC(=O)CN[C@H](C)CO 9b055f26dd8da05358a6f557b707100d [0,2,0,0,0,0|1,0,0]=3 2179 B9R0.24 COC(=O)COC(C)C=O 2893581629e04d22b3e4e05cd3ab89b1 [0,2,0,0,0,0|1,0,0]=3 2180 B9R0.24 COC(=O)COC(C)CF ae8e20076061c42c64980b5fad7cae0e [0,2,0,0,0,0|1,0,0]=3 2181 B9R0.24 COC(=O)COC(C)CS 9c5b6e99de02bc94886d5fea75f150a9 [0,2,0,0,0,0|1,0,0]=3 2182 B9R0.24 COC(=O)CO[C@H](C)C=O 18cc6747b068bee5fcd005922c770056 [0,2,0,0,0,0|1,0,0]=3 2183 B9R0.24 COC(=O)CO[C@H](C)CS 9763eb97166cb02d86ae0eeee7c72710 [0,2,0,0,0,0|1,0,0]=3 2184 B9R0.46 C#CC(=O)NCCCCC 55fc13b7f9003645b4c9dcf569b4fc58 [0,2,0,0,0,0|1,0,1]=4 2185 B9R0.46 C#CC(=O)NCCCCCl 3674f21990062df31e12df9d4daa5cd6 [0,2,0,0,0,0|1,0,1]=4 2186 B9R0.46 C#CC(=O)NCCCCO e8f7fb5a6162ca32ac17445863f897b0 [0,2,0,0,0,0|1,0,1]=4 2187 B9R0.46 C#CC(=O)NCCCCS 04f3c04a5d817818e6da71d5d17e02f6 [0,2,0,0,0,0|1,0,1]=4 2188 B9R0.46 C#CC(=O)NCCCOC 420626e593e2197c5cda6c01fa78f1c3 [0,2,0,0,0,0|1,0,1]=4 2189 B9R0.46 C#CC(=O)NCCCSC 483070dad8d74f4940d7e7706a09d9ce [0,2,0,0,0,0|1,0,1]=4 2190 B9R0.46 C#CC(=O)NCCOCC 504072676d65eb8d923fe6ba8d095802 [0,2,0,0,0,0|1,0,1]=4 2191 B9R0.46 C#CC(=O)NCCSCC 91b900f5787dbc902ef5cb88ad96f3b7 [0,2,0,0,0,0|1,0,1]=4 2192 B9R0.46 C#CCCCNC(=O)CC 22853a975cddc205ba646607de5c5c46 [0,2,0,0,0,0|1,0,1]=4 2193 B9R0.46 C#CCCNCC(=C)OC adc8845f8fcc95b0cf40d182c263aa61 [0,2,0,0,0,0|1,0,1]=4 2194 B9R0.46 C#CCCNCC(=O)CC 826a8b9208282b73c0ea9204182b3934 [0,2,0,0,0,0|1,0,1]=4 2195 B9R0.46 C#CCCNCC(=O)NC 8a59310573d96ee7153b489260e96e0f [0,2,0,0,0,0|1,0,1]=4 2196 B9R0.46 C#CCCNCC(=O)OC c485dc1476c1513f489771dd13aac821 [0,2,0,0,0,0|0,0,1]=3 2197 B9R0.46 C#CCCOCC(=C)OC 440b8413b6fc2999467fedc6b3ac8569 [0,2,0,0,0,0|1,0,1]=4 2198 B9R0.46 C#CCCOCC(=O)CC a46409032fcba7df6669909c4c0a596d [0,2,0,0,0,0|1,0,1]=4 2199 B9R0.46 C#CCCOCC(=O)NC ef1f33412e3efdd41c42651c6ede80fd [0,2,0,0,0,0|1,0,1]=4 2200 B9R0.46 C#CCCOCC(=O)OC b0ca59a0a29aadff7bd388d5bdaa43fa [0,2,0,0,0,0|0,0,1]=3 2201 B9R0.46 C#CCNCCC(=O)NC 99078dcb6a24e327216dabdd8aa54edc [0,2,0,0,0,0|1,0,1]=4 2202 B9R0.46 C#CCNCCC(=O)OC e7d0bb4c4beece0f9f792dd00f08e2e6 [0,2,0,0,0,0|0,0,1]=3 2203 B9R0.46 C#CCNCOC(=O)OC 9c6539752e95d38343eab7bd2204d2b8 [0,2,0,0,0,0|0,0,2]=4 2204 B9R0.46 C#CCOCCC(=O)NC 677762b92b71997bedf253aeaa58a7d3 [0,2,0,0,0,0|1,0,1]=4 2205 B9R0.46 C#CCOCCC(=O)OC fff3858d9b350308919b5bdc22e670e0 [0,2,0,0,0,0|0,0,1]=3 2206 B9R0.46 C#CCOCOC(=O)OC 115f3528b71b49c5363d2205fb2e2d3a [0,2,0,0,0,0|0,0,2]=4 2207 B9R0.46 C/C=C/CNCC(=O)NC 8e3de86f1231002ff0267446d29ca177 [0,2,0,0,0,0|1,0,1]=4 2208 B9R0.46 C/C=C/CNCC(=O)OC 6f3d3544007b0e7617d15f94db3edb22 [0,2,0,0,0,0|0,0,1]=3 2209 B9R0.46 C/C=C/COCC(=O)CC e1656228407acd54ce7a771a1321ad28 [0,2,0,0,0,0|1,0,1]=4 2210 B9R0.46 C/C=C/COCC(=O)NC 7ca6eb8ef07f9102e1d5183e7cb2a20a [0,2,0,0,0,0|1,0,1]=4 2211 B9R0.46 C/C=C/COCC(=O)OC 5b8108bef0d1608d3bf5154a5bad1927 [0,2,0,0,0,0|0,0,1]=3 2212 B9R0.46 C/C=C\CNCC(=O)NC 8730501e22817d895a4bc3c7f6db43a1 [0,2,0,0,0,0|1,0,1]=4 2213 B9R0.46 C/C=C\CNCC(=O)OC 32a295fd0ddc1865d36e4b6355b75208 [0,2,0,0,0,0|0,0,1]=3 2214 B9R0.46 C/C=C\COCC(=O)CC c14112dc2d18bee881fce853ea783f26 [0,2,0,0,0,0|1,0,1]=4 2215 B9R0.46 C/C=C\COCC(=O)NC 0bafd4ee32f4c9b4725aa58574cfd6b6 [0,2,0,0,0,0|1,0,1]=4 2216 B9R0.46 C/C=C\COCC(=O)OC add1663ee33822f498b3a7c7964f86ff [0,2,0,0,0,0|0,0,1]=3 2217 B9R0.46 C=C(CC)CNCCCC 6b21372b0fb998f0d545c38b79091fc4 [0,2,0,0,0,0|2,0,0]=4 2218 B9R0.46 C=C(CC)CNCCCCl aa9ee8e5d0eb733dee11d31278b22f7f [0,2,0,0,0,0|2,0,0]=4 2219 B9R0.46 C=C(CC)CNCCCO 18776204e4c91a3cb89e6a2582d8ff83 [0,2,0,0,0,0|2,0,0]=4 2220 B9R0.46 C=C(CC)CNCCOC 5555ddf873997220217a7c3eff4eafc7 [0,2,0,0,0,0|2,0,0]=4 2221 B9R0.46 C=C(CC)CNCCSC 5561cb6b4f1cc2d4da2f5fb7a5afa5f1 [0,2,0,0,0,0|2,0,0]=4 2222 B9R0.46 C=C(CC)COCCCC f20ffa48a6f681e217485ee3a2e54a80 [0,2,0,0,0,0|2,0,0]=4 2223 B9R0.46 C=C(CC)COCCCF 606ee8b87c49f2e16cdc40d0e48eedf5 [0,2,0,0,0,0|2,0,0]=4 2224 B9R0.46 C=C(CC)COCCCS 3d924064c5c8408c214bf804208192ce [0,2,0,0,0,0|2,0,0]=4 2225 B9R0.46 C=C(CC)COCCOC 765ed6b2fd081ea849da95119a8147ed [0,2,0,0,0,0|2,0,0]=4 2226 B9R0.46 C=C(CC)COCCSC a62d5e6a47c069175d940e7a0e3bdd8c [0,2,0,0,0,0|2,0,0]=4 2227 B9R0.46 C=C(CNCC#CC)OC 4eee9ac4e0d2fc2cd055fd9b45e7c42d [0,2,0,0,0,0|1,0,1]=4 2228 B9R0.46 C=C(CNCC=CC)OC 0f910476a8dd8695e1f91eb74bb5ec70 [0,2,0,0,0,0|1,0,1]=4 2229 B9R0.46 C=C(CNCCC#N)OC 7616412592a541126e5331008fb2dd8d [0,2,0,0,0,0|1,0,1]=4 2230 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [0,2,0,0,0,0|1,0,0]=3 2231 B9R0.46 C=C(CNCCCCl)OC 45ac5622590db56ddaafec051158bcb5 [0,2,0,0,0,0|1,0,0]=3 2232 B9R0.46 C=C(CNCCCO)OC 00a68e6630546f3feaa98f7b90135299 [0,2,0,0,0,0|1,0,0]=3 2233 B9R0.46 C=C(CNCCOC)OC 6e194692b42896ff17574e3fa49259cf [0,2,0,0,0,0|1,0,0]=3 2234 B9R0.46 C=C(CNCCON)OC 417931eb65ab5130b10aac6c051273fb [0,2,0,0,0,0|2,0,0]=4 2235 B9R0.46 C=C(CNCCSC)OC b34e0e0396560f3b68edeac964d7dbdf [0,2,0,0,0,0|1,0,0]=3 2236 B9R0.46 C=C(COC/C=C/C)OC 4c2ccb0db0ff6196079e91a77d95cc8b [0,2,0,0,0,0|1,0,1]=4 2237 B9R0.46 C=C(COC/C=C\C)OC 8712c94e761cea02c5bb642cbe50a0cb [0,2,0,0,0,0|1,0,1]=4 2238 B9R0.46 C=C(COCC#CC)OC 05525f48b426db0a4010e033e544b11d [0,2,0,0,0,0|1,0,1]=4 2239 B9R0.46 C=C(COCC=CC)OC 3fa311aa07f9d52b7a314f9046542606 [0,2,0,0,0,0|1,0,1]=4 2240 B9R0.46 C=C(COCCC#N)OC 1fa833ea0a580c4db69a057271aa0795 [0,2,0,0,0,0|1,0,1]=4 2241 B9R0.46 C=C(COCCC=O)OC a9ca27bd1460711d72a43aeb87dae1a3 [0,2,0,0,0,0|1,0,1]=4 2242 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [0,2,0,0,0,0|1,0,0]=3 2243 B9R0.46 C=C(COCCCF)OC 4e9af8be2efb9dfedd020a71daf1ecc0 [0,2,0,0,0,0|1,0,0]=3 2244 B9R0.46 C=C(COCCCS)OC 009ce88ee6c0ad6e00f309bef511c05e [0,2,0,0,0,0|1,0,0]=3 2245 B9R0.46 C=C(COCCOC)OC 97dcad9a95359dfb19897cc892e86707 [0,2,0,0,0,0|1,0,0]=3 2246 B9R0.46 C=C(COCCSC)OC d48fe0c27a198758209cb684aabc4bdd [0,2,0,0,0,0|1,0,0]=3 2247 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [0,2,0,0,0,0|1,0,1]=4 2248 B9R0.46 C=CC(=O)NCCCCCl 037fbe1d4b2f181463bbb289db3ca074 [0,2,0,0,0,0|1,0,1]=4 2249 B9R0.46 C=CC(=O)NCCCCO ca93ef7e5445c9fdf6ec709699f55973 [0,2,0,0,0,0|1,0,1]=4 2250 B9R0.46 C=CC(=O)NCCCCS 92deec0ca07db651598afe9c510332d4 [0,2,0,0,0,0|1,0,1]=4 2251 B9R0.46 C=CC(=O)NCCCOC 8b1f992198a1c4b96b17b7923d7e394a [0,2,0,0,0,0|1,0,1]=4 2252 B9R0.46 C=CC(=O)NCCCSC c58aa27bbce2f539a76f326796f00759 [0,2,0,0,0,0|1,0,1]=4 2253 B9R0.46 C=CC(=O)NCCNCC efb87fcfc433bd5d917a12277ea2ff69 [0,2,0,0,0,0|1,0,1]=4 2254 B9R0.46 C=CC(=O)NCCOCC 31ad53c610530c8fb6f02d759d193915 [0,2,0,0,0,0|1,0,1]=4 2255 B9R0.46 C=CC(=O)NCCSCC db86a330ee341813a3c9eeeae4927fb3 [0,2,0,0,0,0|1,0,1]=4 2256 B9R0.46 C=CC(=O)NCOCCC 53f7efb31eae4af464fa455eda13bdab [0,2,0,0,0,0|1,0,1]=4 2257 B9R0.46 C=CC(=O)OCCOCC a7267376030751357e0b12ad264c9728 [0,2,0,0,0,0|1,0,1]=4 2258 B9R0.46 C=CCCCNC(=O)CC 892a3eaa46528c34d33fea9f5a3dcf16 [0,2,0,0,0,0|1,0,1]=4 2259 B9R0.46 C=CCCNCC(=C)OC 20f9a616fb9133826b2988d1ad9c525d [0,2,0,0,0,0|1,0,1]=4 2260 B9R0.46 C=CCCNCC(=O)CC c68fbb3930ad5b035bc1d80d52096ccd [0,2,0,0,0,0|1,0,1]=4 2261 B9R0.46 C=CCCNCC(=O)NC baffe26d874c211a38a28edd7d2258fa [0,2,0,0,0,0|1,0,1]=4 2262 B9R0.46 C=CCCNCC(=O)OC 5fb4be3d6bbd73ac1441b9f590623088 [0,2,0,0,0,0|0,0,1]=3 2263 B9R0.46 C=CCCOCC(=C)OC 2cce7adfeef7d2f9cdfbe842cba6c2b7 [0,2,0,0,0,0|1,0,1]=4 2264 B9R0.46 C=CCCOCC(=O)CC ba2b6b00a57ae78738067c10e2a29701 [0,2,0,0,0,0|1,0,1]=4 2265 B9R0.46 C=CCCOCC(=O)NC 612eae4ce5ff98777d69ac401b5ba1fa [0,2,0,0,0,0|1,0,1]=4 2266 B9R0.46 C=CCCOCC(=O)OC b9e51610685fdc73bf89906d5e006507 [0,2,0,0,0,0|0,0,1]=3 2267 B9R0.46 C=CCNCCC(=O)NC 1b9b4507384d165814320ccbb5b38ba6 [0,2,0,0,0,0|1,0,1]=4 2268 B9R0.46 C=CCNCCC(=O)OC 7b455ae9a4f1be1462f3b8b1dae2c2d5 [0,2,0,0,0,0|0,0,1]=3 2269 B9R0.46 C=CCOCCC(=O)NC 28a067a229e0e9ff2a2957cd58d920fb [0,2,0,0,0,0|1,0,1]=4 2270 B9R0.46 C=CCOCCC(=O)OC 46d19493bd3d42975ffe6dd72ccb8d71 [0,2,0,0,0,0|0,0,1]=3 2271 B9R0.46 CC#CCNCC(=O)CC f87af6f751e4d87a0957d736343b0a5d [0,2,0,0,0,0|1,0,1]=4 2272 B9R0.46 CC#CCNCC(=O)NC 1223356d3de5a56fe6ad5b066b39ac83 [0,2,0,0,0,0|1,0,1]=4 2273 B9R0.46 CC#CCNCC(=O)OC 37d35142201c1cd4b8670c62399a0d90 [0,2,0,0,0,0|0,0,1]=3 2274 B9R0.46 CC#CCOCC(=O)CC 5b3a6996232ecb6547cb05769e3a2752 [0,2,0,0,0,0|1,0,1]=4 2275 B9R0.46 CC#CCOCC(=O)NC e9369c57176358dbf198709d5653dfde [0,2,0,0,0,0|1,0,1]=4 2276 B9R0.46 CC#CCOCC(=O)OC 76e36bb6dd1e710ba91875ad19f0246a [0,2,0,0,0,0|0,0,1]=3 2277 B9R0.46 CC=CCNCC(=O)CC 3eb40bc620336efcbc3652bfc1f9b519 [0,2,0,0,0,0|1,0,1]=4 2278 B9R0.46 CC=CCNCC(=O)NC 27e493144ac31b01ede8d090926b11ec [0,2,0,0,0,0|1,0,1]=4 2279 B9R0.46 CC=CCNCC(=O)OC 87a5ef408de8dabff44eb18793f2a2b4 [0,2,0,0,0,0|0,0,1]=3 2280 B9R0.46 CC=CCOCC(=O)CC 19b16142301c4f605365fb0e3e29736d [0,2,0,0,0,0|1,0,1]=4 2281 B9R0.46 CC=CCOCC(=O)NC d82b9b1b09f4b55b854c822c86f580fa [0,2,0,0,0,0|1,0,1]=4 2282 B9R0.46 CC=CCOCC(=O)OC d0e0bfd862a552b349cd9e0bc933c965 [0,2,0,0,0,0|0,0,1]=3 2283 B9R0.46 CCC(=O)CNCCC#N 4d1ea59c625cbbb84e60fc099bcb6cb2 [0,2,0,0,0,0|1,0,1]=4 2284 B9R0.46 CCC(=O)CNCCCCl 084f431780a63ff3cebb43ca20d6371f [0,2,0,0,0,0|1,0,0]=3 2285 B9R0.46 CCC(=O)CNCCCO ad1bcc1a73963d84d1bed75acffddf2c [0,2,0,0,0,0|1,0,0]=3 2286 B9R0.46 CCC(=O)CNCCOC 693ead41c34309cd3f7a29c394f51ce1 [0,2,0,0,0,0|1,0,0]=3 2287 B9R0.46 CCC(=O)CNCCON ba0c5b3af43a79a1a68f6f4b8ebf8d97 [0,2,0,0,0,0|2,0,0]=4 2288 B9R0.46 CCC(=O)CNCCSC 2cc7cb6ff233c8bbb657ae3043f92502 [0,2,0,0,0,0|1,0,0]=3 2289 B9R0.46 CCC(=O)COCCC#N 8da317347b9500442b706f2c31666598 [0,2,0,0,0,0|1,0,1]=4 2290 B9R0.46 CCC(=O)COCCC=O caea3de9902aa906e712e11f093daab0 [0,2,0,0,0,0|1,0,1]=4 2291 B9R0.46 CCC(=O)COCCCF 34ba52aa0b28bc859119658e634d4251 [0,2,0,0,0,0|1,0,0]=3 2292 B9R0.46 CCC(=O)COCCCS 2f3d517fdc40535b8ad4d871be51ef0c [0,2,0,0,0,0|1,0,0]=3 2293 B9R0.46 CCC(=O)COCCOC be359e566ead25dabb2a19812354325c [0,2,0,0,0,0|1,0,0]=3 2294 B9R0.46 CCC(=O)COCCSC e6f60d5f418aa82fd04b87e25f46a06e [0,2,0,0,0,0|1,0,0]=3 2295 B9R0.46 CCC(=O)NCCCC#N 607a632e52c02be1f98f884f13544007 [0,2,0,0,0,0|1,0,1]=4 2296 B9R0.46 CCC(=O)NCCCCCl 8081b71d766c256ee6da55d9cbe39209 [0,2,0,0,0,0|1,0,0]=3 2297 B9R0.46 CCC(=O)NCCCCO 8628e89c17da0854907af2b22bdfd1c4 [0,2,0,0,0,0|1,0,0]=3 2298 B9R0.46 CCC(=O)NCCCCS 8259147db310bd3d03b77243f1626c91 [0,2,0,0,0,0|1,0,0]=3 2299 B9R0.46 CCC(=O)NCCCOC 3d06561303fae74e9ebe236f96b57cdc [0,2,0,0,0,0|1,0,0]=3 2300 B9R0.46 CCC(=O)NCCCSC c0a88e186e06619ed1f956bb505aa757 [0,2,0,0,0,0|1,0,0]=3 2301 B9R0.46 CCC(=O)NCCNCF 899c4179871cebc8419098e2257bf109 [0,2,0,0,0,0|2,0,0]=4 2302 B9R0.46 CCC(=O)NCCNCO 03dc81aae02f0d729bdddc35124dee9e [0,2,0,0,0,0|2,0,0]=4 2303 B9R0.46 CCC(=O)NCCOCF 23e78801b622f7fad277c2f392a8cb8f [0,2,0,0,0,0|2,0,0]=4 2304 B9R0.46 CCC(=O)OCCOCF dac9515ba882d559f224c99beb993b2d [0,2,0,0,0,0|2,0,0]=4 2305 B9R0.46 CCC(=O)OCNCCBr 04a60479c3fae8cce77a2420fc0b6713 [0,2,0,0,0,0|2,0,0]=4 2306 B9R0.46 CCC(=O)OCNCCF b95baeda4ff1a3ff8a2c7d4e7c40b748 [0,2,0,0,0,0|2,0,0]=4 2307 B9R0.46 CCC(=O)OCNCCI 14e9c8e2dc7a21d4a9573bdcfc5044a0 [0,2,0,0,0,0|2,0,0]=4 2308 B9R0.46 CCC(=O)OCNCCO 1f06de0805ea6ede1ea50046dc693666 [0,2,0,0,0,0|2,0,0]=4 2309 B9R0.46 CCC(=O)OCNCCS f97d7fd5dee28bbec1f5640f6f55d6db [0,2,0,0,0,0|2,0,0]=4 2310 B9R0.46 CCC(=O)OCOCCF e5fb342926bb871d1cb290b830b4ffb8 [0,2,0,0,0,0|2,0,0]=4 2311 B9R0.46 CCC(=O)OCOCCS 6f4d5e6c17478e3865487606bb3e4321 [0,2,0,0,0,0|2,0,0]=4 2312 B9R0.46 CCC(=O)OCOCOC b6e9338ebc927d2f6211f21a32802dfc [0,2,0,0,0,0|2,0,0]=4 2313 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [0,2,0,0,0,0|2,0,0]=4 2314 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [0,2,0,0,0,0|1,0,0]=3 2315 B9R0.46 CCCCCNC(=O)CF a05eb2568b07d5cb7d8de0ce30087de3 [0,2,0,0,0,0|2,0,0]=4 2316 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [0,2,0,0,0,0|2,0,0]=4 2317 B9R0.46 CCCCCNC(=O)CS 03156480cccef12f02d921dd33cd4590 [0,2,0,0,0,0|2,0,0]=4 2318 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [0,2,0,0,0,0|1,0,0]=3 2319 B9R0.46 CCCCNCC(=O)CO 849bb04887baec980d5ebdd3d5bc69d7 [0,2,0,0,0,0|2,0,0]=4 2320 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [0,2,0,0,0,0|1,0,0]=3 2321 B9R0.46 CCCCNCC(=O)NO 967297a833a30ade90d2c8a822ad4789 [0,2,0,0,0,0|2,0,0]=4 2322 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [0,2,0,0,0,0|0,0,0]=2 2323 B9R0.46 CCCCNCC(C)OC c5b881b4571cefb9b8cc6509498fea93 [0,2,0,0,0,0|1,0,1]=4 2324 B9R0.46 CCCCNC[C@@H](C)OC 66a1d2fe69a7e3386efa0608767b75fb [0,2,0,0,0,0|1,0,1]=4 2325 B9R0.46 CCCCNC[C@H](C)OC 5293295331574cdeed3cec082b1404a4 [0,2,0,0,0,0|1,0,1]=4 2326 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [0,2,0,0,0,0|1,0,0]=3 2327 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [0,2,0,0,0,0|1,0,0]=3 2328 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [0,2,0,0,0,0|0,0,0]=2 2329 B9R0.46 CCCCOCC(C)OC 2ade9210dead56cd2b7c7e57c8d873e0 [0,2,0,0,0,0|1,0,1]=4 2330 B9R0.46 CCCCOC[C@@H](C)OC 1674d41bc8c308e9ec2e3c7b89845743 [0,2,0,0,0,0|1,0,1]=4 2331 B9R0.46 CCCCOC[C@H](C)OC c4be72208ecd8f9f13f80938de346997 [0,2,0,0,0,0|1,0,1]=4 2332 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [0,2,0,0,0,0|1,0,0]=3 2333 B9R0.46 CCCNCCC(=O)NO 87fbbffe3fecd81db10ce5cd573c8fee [0,2,0,0,0,0|2,0,0]=4 2334 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [0,2,0,0,0,0|0,0,0]=2 2335 B9R0.46 CCCNCCS(=O)CC 35a572faf6496587285f91527b039120 [0,2,0,0,0,0|2,0,0]=4 2336 B9R0.46 CCCNCOC(=O)CC 5135722cfe6a14d8256a85f8111be929 [0,2,0,0,0,0|1,0,0]=3 2337 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [0,2,0,0,0,0|0,0,0]=2 2338 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [0,2,0,0,0,0|1,0,0]=3 2339 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [0,2,0,0,0,0|0,0,0]=2 2340 B9R0.46 CCCOCCC(C)OC cd29870169cadf82f6bbe85ce9f7b54f [0,2,0,0,0,0|1,0,1]=4 2341 B9R0.46 CCCOCCS(=O)CC df836a83d60347b60939b06320da5af3 [0,2,0,0,0,0|2,0,0]=4 2342 B9R0.46 CCCOCOC(=O)CC fc12ca63d515d86d2f674d2f74a06865 [0,2,0,0,0,0|1,0,0]=3 2343 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [0,2,0,0,0,0|0,0,0]=2 2344 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [0,2,0,0,0,0|0,0,0]=2 2345 B9R0.46 CCNCCNC(=O)CC d05b1a7e2d3cebad7ef561e08a9f68d4 [0,2,0,0,0,0|1,0,0]=3 2346 B9R0.46 CCOC/C=C/C(=O)OC 768298698af36b745bc9dad60b33bf97 [0,2,0,0,0,0|0,0,1]=3 2347 B9R0.46 CCOCC#CC(=O)OC e15e1f9f4e388c6a32bbdba37a6a7dc7 [0,2,0,0,0,0|0,0,1]=3 2348 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [0,2,0,0,0,0|1,0,0]=3 2349 B9R0.46 CCOCCNC(=O)C=O 966071d4cf498dd5a511ec54d32c5f46 [0,2,0,0,0,0|2,0,0]=4 2350 B9R0.46 CCOCCNC(=O)CC bb89549179010db70c29ee3b9f4248d0 [0,2,0,0,0,0|1,0,0]=3 2351 B9R0.46 CCOCCNC(=O)CF d41b8e9912d9ad97fdf97596beae9298 [0,2,0,0,0,0|2,0,0]=4 2352 B9R0.46 CCOCCNC(=O)CO d9af89bf0c14e4934e6283e7e3b7f7b7 [0,2,0,0,0,0|2,0,0]=4 2353 B9R0.46 CCOCCNC(=O)CS 7901659e876ad5469c108978c39208e8 [0,2,0,0,0,0|2,0,0]=4 2354 B9R0.46 CCOCCOC(=O)CC cbe8829b561f0b4f11227dbb7fca44b4 [0,2,0,0,0,0|1,0,0]=3 2355 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [0,2,0,0,0,0|0,0,0]=2 2356 B9R0.46 CCOCNCC(=O)NC f84212f98b0436e90d32d034a917c879 [0,2,0,0,0,0|1,0,0]=3 2357 B9R0.46 CCOCNCC(=O)NO 25547a165df168e935e83851ed230d1e [0,2,0,0,0,0|2,0,0]=4 2358 B9R0.46 CCOCNCC(=O)OC 27835f195b0bedba7d74a5f359d40b76 [0,2,0,0,0,0|0,0,0]=2 2359 B9R0.46 CCOCNC[C@@H](C)OC b807dbc6adb76ec15a90a693f19ffb3b [0,2,0,0,0,0|1,0,1]=4 2360 B9R0.46 CCOCNC[C@H](C)OC 16bf82048690b4b8fd8365c54f5c6ae5 [0,2,0,0,0,0|1,0,1]=4 2361 B9R0.46 CCOCOCC(=O)CC a6933b2b2a32c7e2b806bc01fa6f7247 [0,2,0,0,0,0|1,0,0]=3 2362 B9R0.46 CCOCOCC(=O)NC 8e87944406fda3ab412201f3a710feed [0,2,0,0,0,0|1,0,0]=3 2363 B9R0.46 CCOCOCC(=O)OC 167c3e792b29957573aad87659d7bbe6 [0,2,0,0,0,0|0,0,0]=2 2364 B9R0.46 CCOCOCC(C)OC 72b63d232e4fab994bff023a5b0f057e [0,2,0,0,0,0|1,0,1]=4 2365 B9R0.46 CCOCOC[C@@H](C)OC c19132217764fdacb11b2ed5db21e7d9 [0,2,0,0,0,0|1,0,1]=4 2366 B9R0.46 CCOCOC[C@H](C)OC efa9d0f70ad3034cb44258d3a83d6461 [0,2,0,0,0,0|1,0,1]=4 2367 B9R0.46 CCS(=O)CCNCCF 9b842c6bdf5892a20632fb071f9baa3e [0,2,0,0,0,0|2,0,0]=4 2368 B9R0.46 CCS(=O)CCNCCI 3665b929899e6e91c50828a5c0ce719b [0,2,0,0,0,0|2,0,0]=4 2369 B9R0.46 CCS(=O)CCNCCO 80f9000fb14e6d13c5c9e53876d91e4e [0,2,0,0,0,0|2,0,0]=4 2370 B9R0.46 CCS(=O)CCNCCS c43310e3bac451309e30f650d55f5c7e [0,2,0,0,0,0|2,0,0]=4 2371 B9R0.46 CCS(=O)CCOCCF 8ef95104d3c4736cf32403e8715cd43e [0,2,0,0,0,0|2,0,0]=4 2372 B9R0.46 CCS(=O)CCOCCS 80b519a41b8db15a5367ed5720948bdd [0,2,0,0,0,0|2,0,0]=4 2373 B9R0.46 CCS(=O)CCOCOC cc45f556806623d703d038131bce054a [0,2,0,0,0,0|2,0,0]=4 2374 B9R0.46 CCSCCNC(=O)C=O 3415b748537b6650cc2320e075e8660e [0,2,0,0,0,0|2,0,0]=4 2375 B9R0.46 CCSCCNC(=O)CC 70f4cbcf01905cc3c094d724b73e5668 [0,2,0,0,0,0|1,0,0]=3 2376 B9R0.46 CCSCCNC(=O)CF c8499d1a4cca566cb8cc55934ba02083 [0,2,0,0,0,0|2,0,0]=4 2377 B9R0.46 CCSCCNC(=O)CO f1c730e3c2ce8d72f812c2ff79daa704 [0,2,0,0,0,0|2,0,0]=4 2378 B9R0.46 CCSCCNC(=O)CS dde9b25e1370875d5dcea9a592ce2f24 [0,2,0,0,0,0|2,0,0]=4 2379 B9R0.46 CNC(=O)CCCNC#N 68e8888751e1cc6f01631a48a967435c [0,2,0,0,0,0|1,0,1]=4 2380 B9R0.46 CNC(=O)CCCOCF 65d9205729e2e6fd35291b183abc5c0f [0,2,0,0,0,0|1,0,0]=3 2381 B9R0.46 CNC(=O)CCNCC#N f9d9b9e0f612b8ed44f828a069dffade [0,2,0,0,0,0|1,0,1]=4 2382 B9R0.46 CNC(=O)CCNCC=O ab971eff2808e4d18fa50a459e3f9591 [0,2,0,0,0,0|1,0,1]=4 2383 B9R0.46 CNC(=O)CCNCCBr 58197e44cdc47ecbc8dd4c3ba9fbd95d [0,2,0,0,0,0|1,0,0]=3 2384 B9R0.46 CNC(=O)CCNCCF f16c5cbcb4052726e9c2dda8d55c554b [0,2,0,0,0,0|1,0,0]=3 2385 B9R0.46 CNC(=O)CCNCCI 836a7d9d868b77c781af9dba58b1ddcc [0,2,0,0,0,0|1,0,0]=3 2386 B9R0.46 CNC(=O)CCNCCO 98df73f33e1b075bda1acbb74fe1c8df [0,2,0,0,0,0|1,0,0]=3 2387 B9R0.46 CNC(=O)CCNCCS 4999ce45a3979a9d1ffaa8e0c584a82f [0,2,0,0,0,0|1,0,0]=3 2388 B9R0.46 CNC(=O)CCNCOC 7810742c9a7309d6a50e5583d1c7366c [0,2,0,0,0,0|1,0,0]=3 2389 B9R0.46 CNC(=O)CCNCSC 0dbf9ad1e8e43ecf93b4bf63fc81dbaa [0,2,0,0,0,0|1,0,0]=3 2390 B9R0.46 CNC(=O)CCOCC#N 1d6a2dedb348f5671b6fd3373837847c [0,2,0,0,0,0|1,0,1]=4 2391 B9R0.46 CNC(=O)CCOCC=O abc7294946efcd96050b75607b925699 [0,2,0,0,0,0|1,0,1]=4 2392 B9R0.46 CNC(=O)CCOCCF b2e22a035cc2bd25c7b85b567f74cd31 [0,2,0,0,0,0|1,0,0]=3 2393 B9R0.46 CNC(=O)CCOCCS 067360fe45250b4deb2a92820d379203 [0,2,0,0,0,0|1,0,0]=3 2394 B9R0.46 CNC(=O)CCOCOC 00bdc051d7b098bed36277179c4c7787 [0,2,0,0,0,0|1,0,0]=3 2395 B9R0.46 CNC(=O)CCOCSC 32815e6ae018d6bf0c0d70259f25dc15 [0,2,0,0,0,0|1,0,0]=3 2396 B9R0.46 CNC(=O)CNCCC#N a64282512939fb96939376952da06686 [0,2,0,0,0,0|1,0,1]=4 2397 B9R0.46 CNC(=O)CNCCC=O 43dca77f64065be5feb80813410a2b86 [0,2,0,0,0,0|1,0,1]=4 2398 B9R0.46 CNC(=O)CNCCCCl f33da0edd3b1ca6fafd30e8619d6f908 [0,2,0,0,0,0|1,0,0]=3 2399 B9R0.46 CNC(=O)CNCCCF c99e6740355bd3fd86f46be04b37b088 [0,2,0,0,0,0|1,0,0]=3 2400 B9R0.46 CNC(=O)CNCCCO 04620384c25840fda6cec1980d6e4534 [0,2,0,0,0,0|1,0,0]=3 2401 B9R0.46 CNC(=O)CNCCCS 9aea9ea78dd221b27be1bb53af4227f5 [0,2,0,0,0,0|1,0,0]=3 2402 B9R0.46 CNC(=O)CNCCOC 3560372e49cfd1a2ba747ed656f2948c [0,2,0,0,0,0|1,0,0]=3 2403 B9R0.46 CNC(=O)CNCCON 956dd709d39455abdc59055873671b4c [0,2,0,0,0,0|2,0,0]=4 2404 B9R0.46 CNC(=O)CNCCSC 5d20087e449164cd64dc97de1cf3722d [0,2,0,0,0,0|1,0,0]=3 2405 B9R0.46 CNC(=O)COCCC#N f76c7e9c848540083f03d901e059418e [0,2,0,0,0,0|1,0,1]=4 2406 B9R0.46 CNC(=O)COCCC=O ba9fc695b1323b454b9e2f61256fecdb [0,2,0,0,0,0|1,0,1]=4 2407 B9R0.46 CNC(=O)COCCCF 8229e19515927d2310fcb0ba5e5996c9 [0,2,0,0,0,0|1,0,0]=3 2408 B9R0.46 CNC(=O)COCCCS 5ab090b2e2f4779a1f6ba14a86fa323f [0,2,0,0,0,0|1,0,0]=3 2409 B9R0.46 CNC(=O)COCCOC b7ef10bc05872848d2a63f248fdeadb8 [0,2,0,0,0,0|1,0,0]=3 2410 B9R0.46 CNC(=O)COCCSC 843ca49f0bc1f19fb66ac222247b788e [0,2,0,0,0,0|1,0,0]=3 2411 B9R0.46 COC(=O)/C=C/COCF 14619ecef9c0e27816532aca1dafa54e [0,2,0,0,0,0|0,0,2]=4 2412 B9R0.46 COC(=O)C#CCOCF 2c49dc6e78eca5b4efbdd30c5a14c189 [0,2,0,0,0,0|0,0,2]=4 2413 B9R0.46 COC(=O)CCCNC#N c3ac6395e2552a003b0087420f82e6e2 [0,2,0,0,0,0|0,0,1]=3 2414 B9R0.46 COC(=O)CCCNC=O 8f1e475ecae02e6487f0d00c454ab8a4 [0,2,0,0,0,0|0,0,1]=3 2415 B9R0.46 COC(=O)CCCNCF e9250563d19357c2b217ddc01e5b54cc [0,2,0,0,0,0|0,0,0]=2 2416 B9R0.46 COC(=O)CCCNCO 7f4c543538d7d8c02923f8e5ee512b7d [0,2,0,0,0,0|0,0,0]=2 2417 B9R0.46 COC(=O)CCNCC#N f951188a0d42d764b1d0b96532bf9097 [0,2,0,0,0,0|0,0,1]=3 2418 B9R0.46 COC(=O)CCNCC=O 18818f3569d125c78fa9cd973dfcfc31 [0,2,0,0,0,0|0,0,1]=3 2419 B9R0.46 COC(=O)CCNCCBr 2e9d2d8ee2945dc03997f39ac9c22456 [0,2,0,0,0,0|0,0,0]=2 2420 B9R0.46 COC(=O)CCNCCF 2bfe6c663d75847c3cf0523a2f776449 [0,2,0,0,0,0|0,0,0]=2 2421 B9R0.46 COC(=O)CCNCCI f7228399f663e5c2847b83866d3779d1 [0,2,0,0,0,0|0,0,0]=2 2422 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [0,2,0,0,0,0|0,0,0]=2 2423 B9R0.46 COC(=O)CCNCCS 6b781ff091c75a1c77e9b99c78c0a8c2 [0,2,0,0,0,0|0,0,0]=2 2424 B9R0.46 COC(=O)CCNCSC f9cdc13e157a948defb075346b9d25c1 [0,2,0,0,0,0|0,0,0]=2 2425 B9R0.46 COC(=O)CCOCC#N e8ab08592658519cee32674e02824dae [0,2,0,0,0,0|0,0,1]=3 2426 B9R0.46 COC(=O)CCOCC=O e3e43780dfc83d77f81fdd568a9b5113 [0,2,0,0,0,0|0,0,1]=3 2427 B9R0.46 COC(=O)CCOCCF 628582c7630374a94e4bced8359c4233 [0,2,0,0,0,0|0,0,0]=2 2428 B9R0.46 COC(=O)CCOCCS 20528c74e4da9192ce01c8b31c16dba2 [0,2,0,0,0,0|0,0,0]=2 2429 B9R0.46 COC(=O)CCOCSC f8c9563c56621b9e36b8626b322b47d8 [0,2,0,0,0,0|0,0,0]=2 2430 B9R0.46 COC(=O)CNC/C=C/Cl a01434ef4f80386613e7473c35b07ee2 [0,2,0,0,0,0|0,0,2]=4 2431 B9R0.46 COC(=O)CNC/C=C\Cl 0d1c6b89fdaccd072fef481c844f4a10 [0,2,0,0,0,0|0,0,2]=4 2432 B9R0.46 COC(=O)CNC/C=C\O a9a562a66aacb3d83c4e8fefe4a8b08a [0,2,0,0,0,0|0,0,2]=4 2433 B9R0.46 COC(=O)CNCCC#N 3a5596acc946f2f66bd1780540815e17 [0,2,0,0,0,0|0,0,1]=3 2434 B9R0.46 COC(=O)CNCCC=O d85234be549d90df78a6b5c9d1ea9a55 [0,2,0,0,0,0|0,0,1]=3 2435 B9R0.46 COC(=O)CNCCCCl 55e51726dd18a7f132b3e21305569abc [0,2,0,0,0,0|0,0,0]=2 2436 B9R0.46 COC(=O)CNCCCF e93d46be851bbddb3a2f9941aeed8ff2 [0,2,0,0,0,0|0,0,0]=2 2437 B9R0.46 COC(=O)CNCCCO 46abbcbf049316d92b11742c7ee09635 [0,2,0,0,0,0|0,0,0]=2 2438 B9R0.46 COC(=O)CNCCCS cea58286d3c1d454f8ec51cb225d8c9b [0,2,0,0,0,0|0,0,0]=2 2439 B9R0.46 COC(=O)CNCCON 518a9c0719f794ca86addc5e0064106c [0,2,0,0,0,0|1,0,0]=3 2440 B9R0.46 COC(=O)CNCCSC 8c188a6ed92fc6374ee2a2dbcfcee1cb [0,2,0,0,0,0|0,0,0]=2 2441 B9R0.46 COC(=O)COC/C=C/Cl ca87e019fe654c1c30b4df9247271e00 [0,2,0,0,0,0|0,0,2]=4 2442 B9R0.46 COC(=O)COC/C=C\Cl 7e3835851c3d20a0e07693e7ac4e0797 [0,2,0,0,0,0|0,0,2]=4 2443 B9R0.46 COC(=O)COCC#CI 601d3a88a8af586628860f7e10a91540 [0,2,0,0,0,0|0,0,2]=4 2444 B9R0.46 COC(=O)COCC=CCl e95fa54a3b0e4875b8e3f651539cfbca [0,2,0,0,0,0|0,0,2]=4 2445 B9R0.46 COC(=O)COCCC#N b3c30530df1b1afb53bc332a70d862d0 [0,2,0,0,0,0|0,0,1]=3 2446 B9R0.46 COC(=O)COCCC=O d435b929cf2021dadfc1dd5d8636ed9e [0,2,0,0,0,0|0,0,1]=3 2447 B9R0.46 COC(=O)COCCCF eb4d08d12a32347963985a219a2436b3 [0,2,0,0,0,0|0,0,0]=2 2448 B9R0.46 COC(=O)COCCCS cead342093671334804d8e04218fd18f [0,2,0,0,0,0|0,0,0]=2 2449 B9R0.46 COC(=O)COCCSC f6bc7966168712e9ed4ac4cc1e9f6f92 [0,2,0,0,0,0|0,0,0]=2 2450 B9R0.46 COC(=O)COCSC#N 713279c141398d0d127d070507bc6224 [0,2,0,0,0,0|1,0,1]=4 2451 B9R0.46 COC(=O)OCCOCF e98dd05af7d2c94f94e4f3d0e2ed855c [0,2,0,0,0,0|1,0,0]=3 2452 B9R0.46 COC(=O)OCNCC#N 045f0884b9d475c06988e26f5121ff75 [0,2,0,0,0,0|1,0,1]=4 2453 B9R0.46 COC(=O)OCNCCBr 31572077acbc74c497adea5aac59608a [0,2,0,0,0,0|1,0,0]=3 2454 B9R0.46 COC(=O)OCNCCF 9ec05e01e27cce8275ad02a170f5dd3b [0,2,0,0,0,0|1,0,0]=3 2455 B9R0.46 COC(=O)OCNCCI dc24908a9e581c38488bf4a686543a37 [0,2,0,0,0,0|1,0,0]=3 2456 B9R0.46 COC(=O)OCNCCO b043b1f4c8b6ead733606d48fba1c12c [0,2,0,0,0,0|1,0,0]=3 2457 B9R0.46 COC(=O)OCNCCS cd076bc84e1a0cc472243a4b15b32669 [0,2,0,0,0,0|1,0,0]=3 2458 B9R0.46 COC(=O)OCOCC#N 279647fa46f04f17f6dab50372b69939 [0,2,0,0,0,0|1,0,1]=4 2459 B9R0.46 COC(=O)OCOCCF d50173eb55ebfa5b25ba82997eed753c [0,2,0,0,0,0|1,0,0]=3 2460 B9R0.46 COC(=O)OCOCCS 04092d40ea56244b727f94fb9a6b6f65 [0,2,0,0,0,0|1,0,0]=3 2461 B9R0.46 COC(C)CCOCCF 23655e737355373d1a3fdc1a153519a0 [0,2,0,0,0,0|1,0,1]=4 2462 B9R0.46 COC(C)CCOCCS 96bb4909de31961dc0ec495c647aed4d [0,2,0,0,0,0|1,0,1]=4 2463 B9R0.46 COC(C)CCOCSC fec9b5ceb3905c164175b48b0617f9e8 [0,2,0,0,0,0|1,0,1]=4 2464 B9R0.46 COC(C)CNCCCCl 7835119d7c1f20f78c43df14edc55df7 [0,2,0,0,0,0|1,0,1]=4 2465 B9R0.46 COC(C)CNCCCO bdcf28a44f2d7cb333771708747f4c78 [0,2,0,0,0,0|1,0,1]=4 2466 B9R0.46 COC(C)CNCCSC bee3110cd636555634eaa3f638a90584 [0,2,0,0,0,0|1,0,1]=4 2467 B9R0.46 COC(C)COCCCF 68e1bcd10a79a5fc7a2b1dce4b3d9d9e [0,2,0,0,0,0|1,0,1]=4 2468 B9R0.46 COC(C)COCCCS 78de3b47a63d9baa47733e2efc7e2a84 [0,2,0,0,0,0|1,0,1]=4 2469 B9R0.46 COC(C)COCCSC 1712cb8dc7dc99510f49e6135d79a303 [0,2,0,0,0,0|1,0,1]=4 2470 B9R0.46 COCCCNC(=O)C=O 290a8c213bc9c4ea2729eb9887e718d1 [0,2,0,0,0,0|2,0,0]=4 2471 B9R0.46 COCCCNC(=O)CF 718d789d9c9b3de8ce7aaf799b138a49 [0,2,0,0,0,0|2,0,0]=4 2472 B9R0.46 COCCCNC(=O)CO 4b8e790e604cafa347f0e3785cd6641b [0,2,0,0,0,0|2,0,0]=4 2473 B9R0.46 COCCCNC(=O)CS 6542d3222e7a298778a1592dc2515b2a [0,2,0,0,0,0|2,0,0]=4 2474 B9R0.46 COCCNCC(=O)CO 63a1f7327e6e41ceaf0dc4abf111dde8 [0,2,0,0,0,0|2,0,0]=4 2475 B9R0.46 COCCNCC(=O)NO 156786e448c5581f406d9b2c47539a38 [0,2,0,0,0,0|2,0,0]=4 2476 B9R0.46 COCCNCC(=O)OC c9c694c5a89b651170c8ff4da2275f98 [0,2,0,0,0,0|0,0,0]=2 2477 B9R0.46 COCCNCC(C)OC 4636753ca580a791d77babdbf71415e7 [0,2,0,0,0,0|1,0,1]=4 2478 B9R0.46 COCCNC[C@@H](C)OC 4e9c52f28a674df702963379ef3f2141 [0,2,0,0,0,0|1,0,1]=4 2479 B9R0.46 COCCNC[C@H](C)OC a9e2f8249bd78e1918cb9f71316b204d [0,2,0,0,0,0|1,0,1]=4 2480 B9R0.46 COCCOCC(=O)OC 2c6ae10da48fe440860bfbd6b88c257a [0,2,0,0,0,0|0,0,0]=2 2481 B9R0.46 COCCOCC(C)OC 1c52802edc1c5447aa3ce7f3c39a2560 [0,2,0,0,0,0|1,0,1]=4 2482 B9R0.46 COCCOC[C@@H](C)OC 3de0a24161a44b4e98ef48fc8d31baec [0,2,0,0,0,0|1,0,1]=4 2483 B9R0.46 COCCOC[C@H](C)OC 388e87c448c11bec13a23ed3d9b3213d [0,2,0,0,0,0|1,0,1]=4 2484 B9R0.46 COCNCCC(=O)NO a18e75fd577c81fbe36e1844be631c5d [0,2,0,0,0,0|2,0,0]=4 2485 B9R0.46 COCNCCC(=O)OC ce81a92d5ba5f01cc4823c162f22f501 [0,2,0,0,0,0|0,0,0]=2 2486 B9R0.46 COCOCCC(=O)OC 6aede0cdfec6dbd64f8c4300c142c36f [0,2,0,0,0,0|0,0,0]=2 2487 B9R0.46 COCOCCC(C)OC c10363eba52be493ba01d56f54253f9d [0,2,0,0,0,0|1,0,1]=4 2488 B9R0.46 COCOCOC(=O)OC 831dc3cd656f1065c91c21085ad03026 [0,2,0,0,0,0|1,0,0]=3 2489 B9R0.46 CO[C@@H](C)CNCCCCl b9928b9eabd8253913d59a7b66403b15 [0,2,0,0,0,0|1,0,1]=4 2490 B9R0.46 CO[C@@H](C)CNCCCF 1e4fcd209f238218c6dda1c38b583b8a [0,2,0,0,0,0|1,0,1]=4 2491 B9R0.46 CO[C@@H](C)CNCCCO 1976568e1adf1496ab3e2ad75dac3c15 [0,2,0,0,0,0|1,0,1]=4 2492 B9R0.46 CO[C@@H](C)CNCCCS ed0272077738d545a35deb31ea0392e8 [0,2,0,0,0,0|1,0,1]=4 2493 B9R0.46 CO[C@@H](C)CNCCSC 823d9783fd20223f0cfa5f930cc37e10 [0,2,0,0,0,0|1,0,1]=4 2494 B9R0.46 CO[C@@H](C)COCCCF 25e6b3dc4e822991a2156a2fd9c4b387 [0,2,0,0,0,0|1,0,1]=4 2495 B9R0.46 CO[C@@H](C)COCCCS 54d9b3254e15ce4f2de74e1525c51b0d [0,2,0,0,0,0|1,0,1]=4 2496 B9R0.46 CO[C@@H](C)COCCSC 06d7c64c32a29bcd6c4c052301655847 [0,2,0,0,0,0|1,0,1]=4 2497 B9R0.46 CO[C@H](C)CNCCCCl 20b53700c98c3cf9048e1e837afa9881 [0,2,0,0,0,0|1,0,1]=4 2498 B9R0.46 CO[C@H](C)CNCCCF 85b8ff251e7ba42d4606430f37e88484 [0,2,0,0,0,0|1,0,1]=4 2499 B9R0.46 CO[C@H](C)CNCCCO 36dd9487d524339155e42b1e462c2d23 [0,2,0,0,0,0|1,0,1]=4 2500 B9R0.46 CO[C@H](C)CNCCCS 857de30bb2039db3f630d9573bbea95d [0,2,0,0,0,0|1,0,1]=4 2501 B9R0.46 CO[C@H](C)CNCCSC f3d48b9147b91667148120f98170f240 [0,2,0,0,0,0|1,0,1]=4 2502 B9R0.46 CO[C@H](C)COCCCF d9721241904a3283f1aa86cc5a406be9 [0,2,0,0,0,0|1,0,1]=4 2503 B9R0.46 CO[C@H](C)COCCCS 5450c9dad547b878419170c4d40f499c [0,2,0,0,0,0|1,0,1]=4 2504 B9R0.46 CO[C@H](C)COCCSC 52a88c9bc4239f0e6e0ce23024040490 [0,2,0,0,0,0|1,0,1]=4 2505 B9R0.46 CSCCCNC(=O)C=O 28d590702e0165389862aff03ca57c7e [0,2,0,0,0,0|2,0,0]=4 2506 B9R0.46 CSCCCNC(=O)CF 9acc223c1c2784c04c0f9edcd685c29e [0,2,0,0,0,0|2,0,0]=4 2507 B9R0.46 CSCCCNC(=O)CO ce8082938571d6f8f53b5bb113c8236b [0,2,0,0,0,0|2,0,0]=4 2508 B9R0.46 CSCCCNC(=O)CS 3a7b1932bb117f738cca455d7c7d4dbd [0,2,0,0,0,0|2,0,0]=4 2509 B9R0.46 CSCCNCC(=O)CO 7c89e5a1f006448fd613535cd28802ad [0,2,0,0,0,0|2,0,0]=4 2510 B9R0.46 CSCCNCC(=O)NO f6a47dfef283be8a8bff346305d276b6 [0,2,0,0,0,0|2,0,0]=4 2511 B9R0.46 CSCNCCC(=O)NO 25a1df3c9f97b1c3c1f0ca74400b5fbb [0,2,0,0,0,0|2,0,0]=4 2512 B9R0.46 O=C(CCNCCF)NO f1a9591f153b7094b34052ef875af092 [0,2,0,0,0,0|2,0,0]=4 2513 B9R0.46 O=C(CCNCCO)NO 4bc12b023a7f32124df7975893cf39fa [0,2,0,0,0,0|2,0,0]=4 2514 B9R0.46 O=C(CCNCCS)NO b30314455cdf548c1b393948aeb7885e [0,2,0,0,0,0|2,0,0]=4 2515 B9R0.46 O=C(CF)NCCCCCl 0711319b7e1ea6f21ff287829fc7e7fd [0,2,0,0,0,0|2,0,0]=4 2516 B9R0.46 O=C(CF)NCCCCO 55742d922757adee17ba8d48239de065 [0,2,0,0,0,0|2,0,0]=4 2517 B9R0.46 O=C(CF)NCCCCS 8c0613e01a020880b3b5fbe1760dcd85 [0,2,0,0,0,0|2,0,0]=4 2518 B9R0.46 O=C(CNCCCF)NO 30488df9150071cb426792d2d35fac00 [0,2,0,0,0,0|2,0,0]=4 2519 B9R0.46 O=C(CNCCCO)NO 1af4cc000f4aa1711c6c174f8442cc41 [0,2,0,0,0,0|2,0,0]=4 2520 B9R0.46 O=C(CNCCCS)NO 53f363bf54cfb783281d22850e95be2f [0,2,0,0,0,0|2,0,0]=4 2521 B9R0.46 O=C(CO)CNCCCCl 8c6bfe8efa640a8717c55064de15a6cf [0,2,0,0,0,0|2,0,0]=4 2522 B9R0.46 O=C(CO)CNCCCO 3c1be4b73536b5d9eb97bb93f1f5b814 [0,2,0,0,0,0|2,0,0]=4 2523 B9R0.46 O=C(CO)NCCCCCl f0ad0ac6e2645bb25ea69c74141c8d38 [0,2,0,0,0,0|2,0,0]=4 2524 B9R0.46 O=C(CO)NCCCCO 063fc2727d5485e0a8fd8539cfb094c8 [0,2,0,0,0,0|2,0,0]=4 2525 B9R0.46 O=C(CO)NCCCCS 317b4fdfe03e7ecdf2b9dbde8ca0a55e [0,2,0,0,0,0|2,0,0]=4 2526 B9R0.46 O=C(CS)NCCCCCl cda979a7f379ed028a0c788381d70f6a [0,2,0,0,0,0|2,0,0]=4 2527 B9R0.46 O=C(CS)NCCCCO 4fcea8da1f2ecdfd0c739dabea0c409c [0,2,0,0,0,0|2,0,0]=4 2528 B9R0.46 O=C(CS)NCCCCS c7942cb438cc8ef27453e514b7d0db1a [0,2,0,0,0,0|2,0,0]=4 2529 B9R0.46 O=CC(=O)NCCCCCl 2c631277b132dc9b6613657e3eccfe36 [0,2,0,0,0,0|2,0,0]=4 2530 B9R0.46 O=CC(=O)NCCCCO 5fd0c54a12d8e68e68b582ab82f25438 [0,2,0,0,0,0|2,0,0]=4 2531 B9R0.46 O=CC(=O)NCCCCS 8f6bba6de16ad95183bd9d73abba60eb [0,2,0,0,0,0|2,0,0]=4 2532 B9R0.47 C=C(Br)C(=O)NCCCC a63699a68aa22227103f5d8e65213d42 [0,2,0,0,0,0|1,0,1]=4 2533 B9R0.47 C=C(C)C(=O)NCCCC 9633bcca99f1bcc8d8b16f91ececec4f [0,2,0,0,0,0|1,0,0]=3 2534 B9R0.47 C=C(C)C(=O)NCCCCl c951b34ad329118b9f755f805c647ef3 [0,2,0,0,0,0|2,0,0]=4 2535 B9R0.47 C=C(C)C(=O)NCCCO 1c3be591a39956b4e97ebd0d5a168bc2 [0,2,0,0,0,0|2,0,0]=4 2536 B9R0.47 C=C(C)C(=O)NCCOC 87850b33e1168d3d83dd4d909e222ff7 [0,2,0,0,0,0|2,0,0]=4 2537 B9R0.47 C=C(C)C(=O)NCCSC 1532490e2baec798b8deb350615b603d [0,2,0,0,0,0|2,0,0]=4 2538 B9R0.47 C=C(Cl)C(=O)NCCCC df2fd604f008e64fca1a4ccf36dda2cb [0,2,0,0,0,0|1,0,1]=4 2539 B9R0.47 C=C(F)C(=O)NCCCC 68a3dfc300c4b4a8a941583a9530da97 [0,2,0,0,0,0|1,0,1]=4 2540 B9R0.47 CC(=O)C(=O)CNCCBr 1d114d2c3229e5b561cf3a692b590852 [0,2,0,0,0,0|2,0,0]=4 2541 B9R0.47 CC(=O)C(=O)CNCCF b5c5172bd20b88a08dc77f81006d13f8 [0,2,0,0,0,0|2,0,0]=4 2542 B9R0.47 CC(=O)C(=O)CNCCI 541de3fbaad1da9fec6fbd5095630a6a [0,2,0,0,0,0|2,0,0]=4 2543 B9R0.47 CC(=O)C(=O)CNCCO 2d16b85b7fabe2e3b215c005f728463d [0,2,0,0,0,0|2,0,0]=4 2544 B9R0.47 CC(=O)C(=O)CNCCS 87b42f265888e8df4a9ea1dbbef125d7 [0,2,0,0,0,0|2,0,0]=4 2545 B9R0.47 CC(=O)C(=O)COCCF 378c06b0db0803ebcd6c97d1b308e70a [0,2,0,0,0,0|2,0,0]=4 2546 B9R0.47 CC(=O)C(=O)COCCS 97aafe4148347becc65789acfd98e2d3 [0,2,0,0,0,0|2,0,0]=4 2547 B9R0.47 CC(=O)C(=O)NCCCCl 1f11616c914494eaff8a5c5e77f3591e [0,2,0,0,0,0|2,0,0]=4 2548 B9R0.47 CC(=O)C(=O)NCCCO 07a7bb6909cab345c32ae2fba7f9de80 [0,2,0,0,0,0|2,0,0]=4 2549 B9R0.47 CC(C)C(=O)CNCCBr 7861f5691361202d99f638d51318ed3f [0,2,0,0,0,0|2,0,0]=4 2550 B9R0.47 CC(C)C(=O)CNCCF c623b9b39c19992dfb85b72021afcb30 [0,2,0,0,0,0|2,0,0]=4 2551 B9R0.47 CC(C)C(=O)CNCCI 31a0207b7e1834b43a508a41413b1cef [0,2,0,0,0,0|2,0,0]=4 2552 B9R0.47 CC(C)C(=O)CNCCO 77f1ca01ccc1a4f71498efae73b56eab [0,2,0,0,0,0|2,0,0]=4 2553 B9R0.47 CC(C)C(=O)CNCCS 31dcf6856c4f84aeee1aa03d57469bd5 [0,2,0,0,0,0|2,0,0]=4 2554 B9R0.47 CC(C)C(=O)COCCF 4f1bc9b8b539d5dae28f6e74704c52f8 [0,2,0,0,0,0|2,0,0]=4 2555 B9R0.47 CC(C)C(=O)COCCS 727a9cc3d8a2ba13aba168e13d3ab5e9 [0,2,0,0,0,0|2,0,0]=4 2556 B9R0.47 CC(F)C(=O)NCCCCl dd39fd4847d089b5b80da2f2fba54228 [0,2,0,0,0,0|2,0,0]=4 2557 B9R0.47 CC(F)C(=O)NCCCO 75a1b0b6f28692071e2d39b9a389a7d6 [0,2,0,0,0,0|2,0,0]=4 2558 B9R0.47 CC(O)C(=O)NCCCCl b92b54d3e462edcfbbc7adb7cf6d5056 [0,2,0,0,0,0|2,0,0]=4 2559 B9R0.47 CC(O)C(=O)NCCCO 3fdedfd33420787a61b77feff9284e51 [0,2,0,0,0,0|2,0,0]=4 2560 B9R0.47 CC(S)C(=O)NCCCCl 05d734958061f98542b34bc840ad141a [0,2,0,0,0,0|2,0,0]=4 2561 B9R0.47 CC(S)C(=O)NCCCO 9c9a756ca302f24d018e148f7ef8d2f1 [0,2,0,0,0,0|2,0,0]=4 2562 B9R0.47 CCCCNC(=O)C(=O)C e2af56b2a4daa16b7084e7fa0ba1fc1b [0,2,0,0,0,0|1,0,0]=3 2563 B9R0.47 CCCCNC(=O)C(=O)N b915f31213bcde5e67bb9bcc60169849 [0,2,0,0,0,0|2,0,0]=4 2564 B9R0.47 CCCCNC(=O)C(C)F fdb65ff91133c27b3ebb75d20a9f2f4e [0,2,0,0,0,0|1,0,0]=3 2565 B9R0.47 CCCCNC(=O)C(C)O 869307c83e8c07004b30ff19276a13f2 [0,2,0,0,0,0|1,0,0]=3 2566 B9R0.47 CCCCNC(=O)C(C)S 407fba19f003dbd0035cfcbae9d2b461 [0,2,0,0,0,0|1,0,0]=3 2567 B9R0.47 CCCCNC(=O)C(F)F 25a343f27907181b31a2133983698601 [0,2,0,0,0,0|2,0,0]=4 2568 B9R0.47 CCCCNC(=O)C(O)O 16b2996edec637581766cb155148cfe4 [0,2,0,0,0,0|2,0,0]=4 2569 B9R0.47 CCCCNC(=O)[C@@H](C)F 802b8883268c6ffd6ce1498e2886bd12 [0,2,0,0,0,0|1,0,0]=3 2570 B9R0.47 CCCCNC(=O)[C@@H](C)O 7ecb649f950e3b6c5f53bd62fbec3619 [0,2,0,0,0,0|1,0,0]=3 2571 B9R0.47 CCCCNC(=O)[C@H](C)F be2c51c0de91c244b1db314ffeb2bb50 [0,2,0,0,0,0|1,0,0]=3 2572 B9R0.47 CCCCNC(=O)[C@H](C)O fd6bb0fb1788b038b750625ab18ad066 [0,2,0,0,0,0|1,0,0]=3 2573 B9R0.47 CCCNCC(=O)C(=O)C 7ba1a39130517d9740af6669e15ee16e [0,2,0,0,0,0|1,0,0]=3 2574 B9R0.47 CCCNCC(=O)C(=O)O 4e1ace0c3acec461be076667f808e14c [0,2,0,0,0,0|2,0,0]=4 2575 B9R0.47 CCCNCC(=O)C(C)C ab221357b3690899244bb21efed4f4b7 [0,2,0,0,0,0|1,0,0]=3 2576 B9R0.47 CCCNCC(=O)C(F)F 5fa6ab65125eca25f22747df2f527ad9 [0,2,0,0,0,0|2,0,0]=4 2577 B9R0.47 CCCNCC(=O)N(C)C 7dde1b38f644d84258d9ad7df395dcdf [0,2,0,0,0,0|1,0,0]=3 2578 B9R0.47 CCCOCC(=O)C(=O)C ab7906fc53dd4771247d3e1650b32b1f [0,2,0,0,0,0|1,0,0]=3 2579 B9R0.47 CCCOCC(=O)C(=O)O 3444cb5fc32d35bbafaf1d62d3b1c125 [0,2,0,0,0,0|2,0,0]=4 2580 B9R0.47 CCCOCC(=O)C(C)C 507657e3c567336d1a3cd45ed59e26ae [0,2,0,0,0,0|1,0,0]=3 2581 B9R0.47 CCCOCC(=O)C(F)F 5fcdd2fa046b321629c4dd27d8e289d4 [0,2,0,0,0,0|2,0,0]=4 2582 B9R0.47 CCCOCC(=O)N(C)C 60bb67d4b12ba83cc5c96b736e14dfde [0,2,0,0,0,0|1,0,0]=3 2583 B9R0.47 CCNCCC(=O)N(C)C 31ac88073e0390ad24f404467999f4e5 [0,2,0,0,0,0|1,0,0]=3 2584 B9R0.47 CCOCCC(=O)N(C)C 1fa443e67dc6c2b4f6ab7a2e8b19188d [0,2,0,0,0,0|1,0,0]=3 2585 B9R0.47 CCOCNC(=O)C(C)C 21f2cc42b995e92398f90ebab0ddd36e [0,2,0,0,0,0|2,0,0]=4 2586 B9R0.47 CN(C)C(=O)CCNCF 95ff0a67f346cc9f4d4d52396bcd7f5a [0,2,0,0,0,0|2,0,0]=4 2587 B9R0.47 CN(C)C(=O)CCNCO 09a0284ccfe751918482ae9cddd8d0c6 [0,2,0,0,0,0|2,0,0]=4 2588 B9R0.47 CN(C)C(=O)CCOCF 60c9f6a1cc14c33ac66b3731941678d0 [0,2,0,0,0,0|2,0,0]=4 2589 B9R0.47 CN(C)C(=O)CNCCBr dc395255566923f96abdda76efb20a4b [0,2,0,0,0,0|2,0,0]=4 2590 B9R0.47 CN(C)C(=O)CNCCF d8002cf3940539b0fea000c164c6be5e [0,2,0,0,0,0|2,0,0]=4 2591 B9R0.47 CN(C)C(=O)CNCCI 87f70513d312b315f8e06475ee42c87f [0,2,0,0,0,0|2,0,0]=4 2592 B9R0.47 CN(C)C(=O)CNCCO d77db9718eeadeba75bc27d5c289c536 [0,2,0,0,0,0|2,0,0]=4 2593 B9R0.47 CN(C)C(=O)CNCCS 8f029f45a80206424b57ab4bb5855aff [0,2,0,0,0,0|2,0,0]=4 2594 B9R0.47 CN(C)C(=O)COCCF ff2c65ab249b8bbce410e9ac437ea019 [0,2,0,0,0,0|2,0,0]=4 2595 B9R0.47 CN(C)C(=O)COCCS bf8750e4cbcdaeb5334b16ef1f5a749a [0,2,0,0,0,0|2,0,0]=4 2596 B9R0.47 COCCNC(=O)C(=O)C f846514379f6b702aa68a0ceacb0fbaf [0,2,0,0,0,0|2,0,0]=4 2597 B9R0.47 COCCNC(=O)C(C)F bc4e9d7c52d2c9dc255b10e9390297cb [0,2,0,0,0,0|2,0,0]=4 2598 B9R0.47 COCCNC(=O)C(C)O bd8eb58c32ebe9e951d589f141c95141 [0,2,0,0,0,0|2,0,0]=4 2599 B9R0.47 COCCNC(=O)C(C)S 877901446246d2e87745fd1379dff32a [0,2,0,0,0,0|2,0,0]=4 2600 B9R0.47 COCCNC(=O)[C@@H](C)F 495725064ae3f5a4a7da045df6fbdf77 [0,2,0,0,0,0|2,0,0]=4 2601 B9R0.47 COCCNC(=O)[C@@H](C)O 7a8a86452d9621b5e1c18fbcb9ec50d8 [0,2,0,0,0,0|2,0,0]=4 2602 B9R0.47 COCCNC(=O)[C@H](C)F 6217dc0226d1d43aafc74cceca41a0da [0,2,0,0,0,0|2,0,0]=4 2603 B9R0.47 COCCNC(=O)[C@H](C)O 4485241eb055d94366ddc2cb35c0e7d2 [0,2,0,0,0,0|2,0,0]=4 2604 B9R0.47 COCNCC(=O)N(C)C 6050d9c259d5521ad57e3bf105df1583 [0,2,0,0,0,0|2,0,0]=4 2605 B9R0.47 COCOCC(=O)C(=O)C 6fb590035196a179937faad388dc9d16 [0,2,0,0,0,0|2,0,0]=4 2606 B9R0.47 COCOCC(=O)C(C)C 290c28c668560071f1675bdabb074833 [0,2,0,0,0,0|2,0,0]=4 2607 B9R0.47 COCOCC(=O)N(C)C e768e1a20c3dc6484d2d24ffa5e965a1 [0,2,0,0,0,0|2,0,0]=4 2608 B9R0.47 CSCCNC(=O)C(=O)C 2bbabd291a0fdfcfdf5281a9d3814734 [0,2,0,0,0,0|2,0,0]=4 2609 B9R0.47 CSCCNC(=O)C(C)F ee44ac9c3be57939b089791dfbcac985 [0,2,0,0,0,0|2,0,0]=4 2610 B9R0.47 CSCCNC(=O)C(C)O 2fca3a63eda15c01cfa499c290367943 [0,2,0,0,0,0|2,0,0]=4 2611 B9R0.47 CSCCNC(=O)C(C)S 5d659e6574e55e6387186ac6e83082fe [0,2,0,0,0,0|2,0,0]=4 2612 B9R0.47 CSCCNC(=O)[C@@H](C)F 98d506db497bf2e809fefc12f1d0924d [0,2,0,0,0,0|2,0,0]=4 2613 B9R0.47 CSCCNC(=O)[C@@H](C)O 8feb4ed6a2e9dced3d478d495b9c087b [0,2,0,0,0,0|2,0,0]=4 2614 B9R0.47 CSCCNC(=O)[C@H](C)F 98797268d912f77241e8b23dbb46bb21 [0,2,0,0,0,0|2,0,0]=4 2615 B9R0.47 CSCCNC(=O)[C@H](C)O 0c0f478c1f70984ae691f560cea18521 [0,2,0,0,0,0|2,0,0]=4 2616 B9R0.47 CSCNCC(=O)N(C)C e854f740c4eb41bca6c50179e0f02dd2 [0,2,0,0,0,0|2,0,0]=4 2617 B9R0.47 CSCOCC(=O)N(C)C 62edd7c85dafe5713097af24db3df4d6 [0,2,0,0,0,0|2,0,0]=4 2618 B9R0.47 C[C@@H](F)C(=O)NCCCCl 0f687453876e341e0338927b09f98f43 [0,2,0,0,0,0|2,0,0]=4 2619 B9R0.47 C[C@@H](F)C(=O)NCCCO 62f9639804f2056febeaeb7be2119839 [0,2,0,0,0,0|2,0,0]=4 2620 B9R0.47 C[C@@H](O)C(=O)NCCCCl a6702461d3fd3fa4afee1459854a6f9e [0,2,0,0,0,0|2,0,0]=4 2621 B9R0.47 C[C@@H](O)C(=O)NCCCO ee0f9b9b65d12aee93b8ff8a8f4ba165 [0,2,0,0,0,0|2,0,0]=4 2622 B9R0.47 C[C@H](F)C(=O)NCCCCl 12149940e4080c7cd54998354fd6efc9 [0,2,0,0,0,0|2,0,0]=4 2623 B9R0.47 C[C@H](F)C(=O)NCCCO 9dde54e7fd3c0a23864d20db6fce9f83 [0,2,0,0,0,0|2,0,0]=4 2624 B9R0.47 C[C@H](O)C(=O)NCCCCl caaf0f9b5063d2d2ad2615c9eade8535 [0,2,0,0,0,0|2,0,0]=4 2625 B9R0.47 C[C@H](O)C(=O)NCCCO 4f765bc105a804c3c1972b22e3f801a1 [0,2,0,0,0,0|2,0,0]=4 2626 B9R0.50 CCCCNC(C=O)CC 774ffd452d5f55c10b198ec0d6ccc481 [0,2,0,0,0,0|1,0,1]=4 2627 B9R0.50 CCCCOC(C=O)CC a489a1c0e4d8ef9f526827c78fe09c6d [0,2,0,0,0,0|1,0,1]=4 2628 B9R0.50 CCCNCC(OC)OC 460db620ead63b3288b46623dfed0f85 [0,2,0,0,0,0|0,0,2]=4 2629 B9R0.50 CCCNC[C@H](CO)OC 1de0f851a51335c4faa83394a2f31d9b [0,2,0,0,0,0|0,0,2]=4 2630 B9R0.50 CCCOCC(CC)OC 126e67525572f519a796e73aa9590c5e [0,2,0,0,0,0|1,0,1]=4 2631 B9R0.50 CCCOCC(OC)OC dfe17f5f6072cf89e2d77f75730ba44a [0,2,0,0,0,0|0,0,2]=4 2632 B9R0.50 CCN(C=O)CCCCO 896c8ac6f073a59bbf85b1278bba30de [0,2,0,0,0,0|2,0,0]=4 2633 B9R0.50 CCN(C=O)CCCOC b7b16cfedbda674de10c94d6ca2bd75f [0,2,0,0,0,0|2,0,0]=4 2634 B9R0.50 CCNCCC(OC)OC 6d55359930d92f8b06fdbf3402ba27fd [0,2,0,0,0,0|0,0,2]=4 2635 B9R0.50 CCOCCN(C=O)CC eb3480f5c05b7016e9622312387acbc9 [0,2,0,0,0,0|2,0,0]=4 2636 B9R0.3 CCCNC(=O)C(C)(F)F 3b4dbd8ece0a0dec660354f332a9f039 [0,2,0,0,0,0|2,0,0]=4 2637 B9R0.3 CCNCC(=O)C(C)(C)C 43192eddd7a5b105ba6a0630938b15a6 [0,2,0,0,0,0|2,0,0]=4 2638 B9R0.3 CCOCC(=O)C(C)(C)C 9a9b9f98f72d0dc2b8e97c09f87efe0c [0,2,0,0,0,0|2,0,0]=4 2639 B9R0.7 C=C(C)C(=O)NCC(C)C 3a8855568cc2b1df3fef6c98c7c011f0 [0,2,0,0,0,0|2,0,0]=4 2640 B9R0.7 C=C(C)C(=O)NCC(C)O 38b25d3536775dc28ab6b9199bed477a [0,2,0,0,0,0|2,0,0]=4 2641 B9R0.7 C=C(C)C(=O)NC[C@@H](C)O f76078e1d0fb7266f815fdf4bcdc4a60 [0,2,0,0,0,0|2,0,0]=4 2642 B9R0.7 C=C(C)C(=O)NC[C@H](C)O fc07f36b455ba599d11a561f48e201e0 [0,2,0,0,0,0|2,0,0]=4 2643 B9R0.7 CC(=O)C(=O)COC(C)C 54d4688b93c903c69f0b1be1e953d6a6 [0,2,0,0,0,0|2,0,0]=4 2644 B9R0.7 CC(=O)C(=O)NCC(C)C b29618f1c8ca27f367008990e8e5a8b7 [0,2,0,0,0,0|2,0,0]=4 2645 B9R0.7 CC(=O)C(=O)NCC(C)O e690b65d928d90fc0d6b12987d3a9371 [0,2,0,0,0,0|2,0,0]=4 2646 B9R0.7 CC(=O)C(=O)NC[C@@H](C)O 5a868f0143dd3dcf1b98a4ac7490f231 [0,2,0,0,0,0|2,0,0]=4 2647 B9R0.7 CC(=O)C(=O)NC[C@H](C)O 98b4664b095699e712a1c75ed18a6d3f [0,2,0,0,0,0|2,0,0]=4 2648 B9R0.7 CC(C)CNC(=O)C(C)F 542d23a3c159a4f5c1a83e3a266275e5 [0,2,0,0,0,0|2,0,0]=4 2649 B9R0.7 CC(C)CNC(=O)C(C)O 824ae61acdea08c9bd71ea8b6fff62a0 [0,2,0,0,0,0|2,0,0]=4 2650 B9R0.7 CC(C)CNC(=O)C(C)S e9f0db9c77d7c340a727bb3812bf826e [0,2,0,0,0,0|2,0,0]=4 2651 B9R0.7 CC(C)CNC(=O)[C@@H](C)F 617115b61bd546ae08eb62c321ff64f3 [0,2,0,0,0,0|2,0,0]=4 2652 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 17aeb1d128cd80daef5a41d9ad7196e8 [0,2,0,0,0,0|2,0,0]=4 2653 B9R0.7 CC(C)CNC(=O)[C@H](C)F 5e2dcf69c5c319b90b8e3c8d4e1a7bed [0,2,0,0,0,0|2,0,0]=4 2654 B9R0.7 CC(C)CNC(=O)[C@H](C)O 31e4964f1a128cf48a3cb5e44ffe8955 [0,2,0,0,0,0|2,0,0]=4 2655 B9R0.7 CC(C)NCC(=O)N(C)C a6310d5f78165dbe2f23afdf5eebcb56 [0,2,0,0,0,0|2,0,0]=4 2656 B9R0.7 CC(C)OCC(=O)C(C)C bf83dd2bb7f01d8b3714fa98562a9bd7 [0,2,0,0,0,0|2,0,0]=4 2657 B9R0.7 CC(C)OCC(=O)N(C)C 9d66c4816e421dd52fb4d02dee5a641e [0,2,0,0,0,0|2,0,0]=4 2658 B9R0.7 CC(F)C(=O)NC[C@@H](C)O 7567940afe7d15174b1504b3358541cb [0,2,0,0,0,0|2,0,0]=4 2659 B9R0.7 CC(F)C(=O)NC[C@H](C)O 1dc56f4d9d160668d8a08223e3617390 [0,2,0,0,0,0|2,0,0]=4 2660 B9R0.7 CC(O)C(=O)NC[C@@H](C)O ea3278851abace00135f5a6fcb8ce95e [0,2,0,0,0,0|2,0,0]=4 2661 B9R0.7 CC(O)C(=O)NC[C@H](C)O 784eee82e548f71c8388d51393f8e431 [0,2,0,0,0,0|2,0,0]=4 2662 B9R0.7 CC(O)CNC(=O)C(C)F 7bc805af2422426847d2ddec4b0d0ec5 [0,2,0,0,0,0|2,0,0]=4 2663 B9R0.7 CC(O)CNC(=O)C(C)O ce36693b027dcd161db42073b89d8723 [0,2,0,0,0,0|2,0,0]=4 2664 B9R0.7 CC(O)CNC(=O)C(C)S 0310cdca6fc7815b5d7a1494facfc170 [0,2,0,0,0,0|2,0,0]=4 2665 B9R0.7 CC(O)CNC(=O)[C@@H](C)F c904a630475584e641643e32c7cf1609 [0,2,0,0,0,0|2,0,0]=4 2666 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 6cced7bdfccc8e476b85f79247d4bb8f [0,2,0,0,0,0|2,0,0]=4 2667 B9R0.7 CC(O)CNC(=O)[C@H](C)F 084b08c7228924f996527de3d9edb8c8 [0,2,0,0,0,0|2,0,0]=4 2668 B9R0.7 CC(O)CNC(=O)[C@H](C)O 8cd8b6ccad48c2d1a4b9e871353a3fe9 [0,2,0,0,0,0|2,0,0]=4 2669 B9R0.7 CC(S)C(=O)NC[C@@H](C)O 0c8cb9d83c2437d1683d7bec00852f8d [0,2,0,0,0,0|2,0,0]=4 2670 B9R0.7 CC(S)C(=O)NC[C@H](C)O 6c7b408ad33f9b889b8d325ac0f56488 [0,2,0,0,0,0|2,0,0]=4 2671 B9R0.7 C[C@@H](O)CNC(=O)[C@@H](C)F c5dc401c250430b754dea7f65ee3d445 [0,2,0,0,0,0|2,0,0]=4 2672 B9R0.7 C[C@@H](O)CNC(=O)[C@@H](C)O 1be6c840a53643f7913f14502d370f2e [0,2,0,0,0,0|2,0,0]=4 2673 B9R0.7 C[C@H](F)C(=O)NC[C@@H](C)O 9594ca227982ddee203092475f32a3d4 [0,2,0,0,0,0|2,0,0]=4 2674 B9R0.7 C[C@H](O)C(=O)NC[C@@H](C)O 45fbc581972e620fcb82b944a76cfe28 [0,2,0,0,0,0|2,0,0]=4 2675 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)F 07244413063ca5177fe2787b8b9e52ed [0,2,0,0,0,0|2,0,0]=4 2676 B9R0.7 C[C@H](O)CNC(=O)[C@@H](C)O 45097f91eb8be3166760957082fec8d1 [0,2,0,0,0,0|2,0,0]=4 2677 B9R0.7 C[C@H](O)CNC(=O)[C@H](C)F 48810d206a2cf78f047add0e3266bff2 [0,2,0,0,0,0|2,0,0]=4 2678 B9R0.7 C[C@H](O)CNC(=O)[C@H](C)O e613db5964a9292836ffba102e5a807f [0,2,0,0,0,0|2,0,0]=4 2679 B9R0.13 C/C=C(\OCCC)/C(=O)O 805835d2fd7a7175bc2df69132bafc8c [0,2,0,0,0,0|2,0,0]=4 2680 B9R0.13 CCCCN(C=O)C(C)C ca25cc0ede1f17e579978b934a7c02df [0,2,0,0,0,0|2,0,0]=4 2681 B9R0.13 CCCCN(CC)C(=O)C 6dcc903ab553d1d8d7c18d1a9b5cfc71 [0,2,0,0,0,0|2,0,0]=4 2682 B9R0.42 C=C(C)C(=O)NC(C)CC 44fd1d7c8b36a239f8cfcdc8fcc591f4 [0,2,0,0,0,0|2,0,0]=4 2683 B9R0.42 C=C(C)C(=O)N[C@@H](C)CC 1c7e9305db890c47924d3022381d76b6 [0,2,0,0,0,0|2,0,0]=4 2684 B9R0.42 C=C(C)C(=O)N[C@H](C)CC 980daea2adc65e6baa814ee0a203ae85 [0,2,0,0,0,0|2,0,0]=4 2685 B9R0.42 C=C(CN(C)C(C)C)OC 3f645e9bacbc467d93f4e6c1f4303001 [0,2,0,0,0,0|2,0,0]=4 2686 B9R0.42 CCC(=O)CN(C)C(C)C 99daef966fceeed4a58cb23206d56767 [0,2,0,0,0,0|2,0,0]=4 2687 B9R0.42 CCC(=O)NC(C)C(C)C 90abb99ba41d057de5d9ee398dc22d45 [0,2,0,0,0,0|2,0,0]=4 2688 B9R0.42 CCC(=O)NC(C)C(C)O 623b49bea03f26529a52466f9af74562 [0,2,0,0,0,0|2,0,0]=4 2689 B9R0.42 CCC(=O)N[C@@H](C)C(C)C 151855739681a1cd1df07c6a683972f7 [0,2,0,0,0,0|2,0,0]=4 2690 B9R0.42 CCC(=O)N[C@H](C)C(C)C 7a02b90234d22e2dd127262c353645d7 [0,2,0,0,0,0|2,0,0]=4 2691 B9R0.42 CCC(C)NC(=O)C(=O)C b88dde23e48efe99aafeecc7cda67b85 [0,2,0,0,0,0|2,0,0]=4 2692 B9R0.42 CCC(C)NC(=O)C(C)F 8af1d49c697f0aced4a054e975b70858 [0,2,0,0,0,0|2,0,0]=4 2693 B9R0.42 CCC(C)NC(=O)C(C)O b528fef17ea9a1a4c2132e5346199642 [0,2,0,0,0,0|2,0,0]=4 2694 B9R0.42 CCC(C)NC(=O)C(C)S 03802aba7687420d3d50483aeb1f79e6 [0,2,0,0,0,0|2,0,0]=4 2695 B9R0.42 CCC(C)NC(=O)[C@@H](C)F 75a083c3aaa5b0798c2b52f27426e086 [0,2,0,0,0,0|2,0,0]=4 2696 B9R0.42 CCC(C)NC(=O)[C@@H](C)O b1f727fc820c8aa8747807588aa67545 [0,2,0,0,0,0|2,0,0]=4 2697 B9R0.42 CCC(C)NC(=O)[C@H](C)F a28df232bf1e8b8db77b1a07db5d19ac [0,2,0,0,0,0|2,0,0]=4 2698 B9R0.42 CCC(C)NC(=O)[C@H](C)O 428a01b3553540ee5463123f47988de0 [0,2,0,0,0,0|2,0,0]=4 2699 B9R0.42 CCN(C)CC(=O)C(=O)C 2604ddc77473b543234427eb838b9328 [0,2,0,0,0,0|2,0,0]=4 2700 B9R0.42 CCN(C)CC(=O)C(C)C 8ab4bbd65013e0c42aa87e3083dce164 [0,2,0,0,0,0|2,0,0]=4 2701 B9R0.42 CCN(C)CC(=O)N(C)C 8255f99b2dede00f66b5f933f79d8512 [0,2,0,0,0,0|2,0,0]=4 2702 B9R0.42 CC[C@@H](C)NC(=O)C(=O)C 6feb51e3f091d8424d5a2a7666ce09bb [0,2,0,0,0,0|2,0,0]=4 2703 B9R0.42 CC[C@@H](C)NC(=O)C(C)F 15ce8abb06713bd18ea6cf1b33b33dd6 [0,2,0,0,0,0|2,0,0]=4 2704 B9R0.42 CC[C@@H](C)NC(=O)C(C)O 70a022a219485c5f4bf5f811ec968bf4 [0,2,0,0,0,0|2,0,0]=4 2705 B9R0.42 CC[C@@H](C)NC(=O)C(C)S d5424adbc5535a6361e29943b243571e [0,2,0,0,0,0|2,0,0]=4 2706 B9R0.42 CC[C@@H](C)NC(=O)[C@@H](C)F 787f1cf854acc2a7cc5e5afd133a9347 [0,2,0,0,0,0|2,0,0]=4 2707 B9R0.42 CC[C@@H](C)NC(=O)[C@@H](C)O 712f45a8fab3ebdd7ad34e28a8985593 [0,2,0,0,0,0|2,0,0]=4 2708 B9R0.42 CC[C@@H](C)NC(=O)[C@H](C)F b87931679e72959e6f51227f18c8e5e6 [0,2,0,0,0,0|2,0,0]=4 2709 B9R0.42 CC[C@@H](C)NC(=O)[C@H](C)O 9c5e4babce57b980591d6b6da310c319 [0,2,0,0,0,0|2,0,0]=4 2710 B9R0.42 CC[C@H](C)NC(=O)C(=O)C 02a97ab8c9ee5fd4e7a804cd14237c27 [0,2,0,0,0,0|2,0,0]=4 2711 B9R0.42 CC[C@H](C)NC(=O)C(C)F 2dbaa3b038f200d99da821f110ce2f6b [0,2,0,0,0,0|2,0,0]=4 2712 B9R0.42 CC[C@H](C)NC(=O)C(C)O 1cb6c55d86dad68f790f2bd2fe156349 [0,2,0,0,0,0|2,0,0]=4 2713 B9R0.42 CC[C@H](C)NC(=O)C(C)S 00b981dbeff48a12a9cd68611523d0c1 [0,2,0,0,0,0|2,0,0]=4 2714 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)F 396f816836963625d74912a267b8e11c [0,2,0,0,0,0|2,0,0]=4 2715 B9R0.42 CC[C@H](C)NC(=O)[C@@H](C)O 7282aaeb8ba8196fd23ce1dd7381c080 [0,2,0,0,0,0|2,0,0]=4 2716 B9R0.42 CC[C@H](C)NC(=O)[C@H](C)F 540fef7bce8269ae78c3ccbb7be1607c [0,2,0,0,0,0|2,0,0]=4 2717 B9R0.42 CC[C@H](C)NC(=O)[C@H](C)O 8958a13cde5caf7f7958e94cdd8f5ecb [0,2,0,0,0,0|2,0,0]=4 2718 B9R0.42 CNC(=O)CN(C)C(C)C 95f128c4bcadec9aa61bbdae2b41a2d6 [0,2,0,0,0,0|2,0,0]=4 2719 B9R0.42 COC(=O)CN(C)C(=O)C dba6f619f41ce5364c69da2ce0a7a9a2 [0,2,0,0,0,0|1,0,1]=4 2720 B9R0.42 COC(=O)CN(C)C(C)C 2c82446aed6694c498b8b1d3cd1cfa29 [0,2,0,0,0,0|1,0,0]=3 2721 B9R0.21 C=C(CNC(C)(C)C)OC faa4d861e6db57873116d850b975f9a2 [0,2,0,0,0,0|2,0,0]=4 2722 B9R0.21 CCC(=O)CNC(C)(C)C ee87b31fb8f70244e113e15b50332475 [0,2,0,0,0,0|2,0,0]=4 2723 B9R0.21 CCC(=O)NCC(C)(C)C 0128812df792d35b060fb644cf032ab3 [0,2,0,0,0,0|2,0,0]=4 2724 B9R0.21 CCC(=O)NCC(C)(C)O 5802c4f0abfb27030122b75932c3adec [0,2,0,0,0,0|2,0,0]=4 2725 B9R0.21 CCC(=O)NCC(C)(F)F d3be16490bcce079b683f358d83247b0 [0,2,0,0,0,0|2,0,0]=4 2726 B9R0.21 CNC(=O)CNC(C)(C)C 92f4f42e3d0a2fc88cc8caf8c21ea609 [0,2,0,0,0,0|2,0,0]=4 2727 B9R0.21 COC(=O)CNC(C)(C)C 46c32fde144901f82ab920e5e82a2fde [0,2,0,0,0,0|1,0,0]=3 2728 B9R0.26 CCC(=O)NC(CC)CC 48af0a339dbe677364c040662b1ffef5 [0,2,0,0,0,0|2,0,0]=4 2729 B9R0.26 CCC(=O)NC(CC)CO f9339041f9a7066f69d2140a52dbe88c [0,2,0,0,0,0|2,0,0]=4 2730 B9R0.26 CCC(=O)N[C@@H](CC)CO 5debabb431a3b0b3a07d439dc51257b4 [0,2,0,0,0,0|2,0,0]=4 2731 B9R0.26 CCC(=O)N[C@H](CC)CO 5edf923c6423d029c8f0a8c87f74e1a7 [0,2,0,0,0,0|2,0,0]=4 2732 B9R0.26 CCC(O)CN(C=O)CC 64e7e2a9ab2b4074203b5452b29778e8 [0,2,0,0,0,0|2,0,0]=4 2733 B9R0.22 CCC(=O)NC(C)(C)CC 547e266e0f971a5e467eaf793ba67e6b [0,2,0,0,0,0|2,0,0]=4 2734 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [1,0,0,1,0,0|1,0,0]=3 2735 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [1,0,0,1,0,0|1,0,0]=3 2736 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,1,0,1,0,0|2,0,0]=4 2737 B9R1.2 CCN1CCNC(=O)C1 8ee087b200f253c3cbe099e9fc72a94a [0,1,0,1,0,0|2,0,0]=4 2738 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,1,0,1,0,0|1,0,0]=3 2739 B9R1.2 O=C1CN(CCO1)CF c923694c0bf9f6f1496b855a5b8b01b2 [0,1,0,1,0,0|2,0,0]=4 2740 B9R1.2 O=C1CN(CCO1)CO 8db94e8adcec68c019e224a8c72e73db [0,1,0,1,0,0|2,0,0]=4 2741 B9R1.7 CC1CCC(C1)OCF 9089501ad242f89319fa28aecc141070 [0,1,0,1,0,0|1,0,1]=4 2742 B9R1.7 CCCN1CNC(=O)C1 3c5d5a0187668e5f708d17c495c62e95 [0,1,0,1,0,0|1,0,0]=3 2743 B9R1.7 CCNC1CNC(=O)C1 f034b1c0e5aa31eff338453bd1cde7f9 [0,1,0,1,0,0|1,0,0]=3 2744 B9R1.7 CCN[C@@H]1CNC(=O)C1 53d087e66deab9a5a56ba2147c98eebb [0,1,0,1,0,0|1,0,0]=3 2745 B9R1.7 CCN[C@H]1CNC(=O)C1 a0f226362b35f34e32c6ff7f460edeb1 [0,1,0,1,0,0|1,0,0]=3 2746 B9R1.7 CCOC1=COC(=O)C1 d9f8c57e71131e87788948985bfcb55f [0,1,0,1,0,0|0,0,2]=4 2747 B9R1.7 CCOC1C=CC(=O)C1 cf7dcc6d5bb52c2dbe964e53d7a14001 [0,1,0,1,0,0|1,0,1]=4 2748 B9R1.7 CCOC1CCC(=O)C1 20f868b46959ea3477a4c5711e7faca7 [0,1,0,1,0,0|1,0,0]=3 2749 B9R1.7 CCOC1CCC(C1)C 2e79cb3e7d53d70b7a3a49594f9b7572 [0,1,0,1,0,0|1,0,1]=4 2750 B9R1.7 CCOC1CNC(=O)C1 5dfdd0a06ecc1692efd79633b6c9fdb4 [0,1,0,1,0,0|1,0,0]=3 2751 B9R1.7 CCOC1COC(=O)C1 a14609c36cb4911f4d4f0326be24482c [0,1,0,1,0,0|0,0,0]=2 2752 B9R1.7 CCOC1COC(C1)C 3e91a0d24859f42f4cfd5c657a58260e [0,1,0,1,0,0|1,0,1]=4 2753 B9R1.7 CCO[C@@H]1CNC(=O)C1 a15700fb6c9d37d8c11af797ede2320b [0,1,0,1,0,0|1,0,0]=3 2754 B9R1.7 CCO[C@@H]1COC(=O)C1 f08fd85a64aaf6d51d762bf437e965d8 [0,1,0,1,0,0|0,0,0]=2 2755 B9R1.7 CCO[C@H]1C=CC(=O)C1 b0e331b85aadab1f09429088fdf1cc58 [0,1,0,1,0,0|1,0,1]=4 2756 B9R1.7 CCO[C@H]1CNC(=O)C1 442cd5fabba5f8376815e4dbe7155a78 [0,1,0,1,0,0|1,0,0]=3 2757 B9R1.7 CCO[C@H]1COC(=O)C1 b5b6c1c9b0e94e583c1e7d2706c4af7c [0,1,0,1,0,0|0,0,0]=2 2758 B9R1.7 COCN1CCC(C1)C ac6caddd163effd473f09494d0f5a349 [0,1,0,1,0,0|2,0,0]=4 2759 B9R1.7 COCN1CNC(=O)C1 4d18d6941c5616557bae4715cf80a3fe [0,1,0,1,0,0|2,0,0]=4 2760 B9R1.7 CSCN1CNC(=O)C1 8211b253328c1403ea89b1b99e3beec2 [0,1,0,1,0,0|2,0,0]=4 2761 B9R1.7 O=C1CC(CN1)NCF 980988dcb4ccee82cda1dab38be331e2 [0,1,0,1,0,0|2,0,0]=4 2762 B9R1.7 O=C1CC(CN1)NCO c052098805d668d6f4ada358e57e4112 [0,1,0,1,0,0|2,0,0]=4 2763 B9R1.7 O=C1CC(CN1)OCF 23b0d8d04434c7a4a01cc694371532a0 [0,1,0,1,0,0|2,0,0]=4 2764 B9R1.7 O=C1CC(CO1)OCF 6ccdee68b23c369d52f71b4fd0fa7d68 [0,1,0,1,0,0|1,0,0]=3 2765 B9R1.7 O=C1CCC(C1)OCF 98c190e459e55f64b9e25e39bcd16a19 [0,1,0,1,0,0|2,0,0]=4 2766 B9R1.7 O=C1CN(CN1)CCF d757934cfea094780b56173421a0001f [0,1,0,1,0,0|2,0,0]=4 2767 B9R1.7 O=C1CN(CN1)CCO 7dd773ba31e78145aab267af7b35d02f [0,1,0,1,0,0|2,0,0]=4 2768 B9R1.7 O=C1CN(CN1)CCS 843303fed7901f842425d8bab177d005 [0,1,0,1,0,0|2,0,0]=4 2769 B9R1.7 O=C1C[C@@H](CN1)NCF 411e6e79f87d54e44a2955c578af83cf [0,1,0,1,0,0|2,0,0]=4 2770 B9R1.7 O=C1C[C@@H](CN1)NCO b284e47e22d89750e99df8321f442760 [0,1,0,1,0,0|2,0,0]=4 2771 B9R1.7 O=C1C[C@@H](CN1)OCF 6723427409ff1f842102a48ad1f1d075 [0,1,0,1,0,0|2,0,0]=4 2772 B9R1.7 O=C1C[C@@H](CO1)OCF 51d79eb5dd5903751f5c379bd3b2cb3a [0,1,0,1,0,0|1,0,0]=3 2773 B9R1.7 O=C1C[C@H](CN1)NCF cd4abacc4820bcd0298dba28188d9f98 [0,1,0,1,0,0|2,0,0]=4 2774 B9R1.7 O=C1C[C@H](CN1)NCO 5fed0c6db4b7f4ec518dffff77ba236f [0,1,0,1,0,0|2,0,0]=4 2775 B9R1.7 O=C1C[C@H](CN1)OCF ef977050908cc65ab7cc2785915cf0cb [0,1,0,1,0,0|2,0,0]=4 2776 B9R1.7 O=C1C[C@H](CO1)OCF f528bbda1523620d35f6549c89ffa164 [0,1,0,1,0,0|1,0,0]=3 2777 B9R1.8 CCOC1CCCCC1 42d86f4740ed23d8e061935637b3e037 [0,1,0,1,0,0|1,0,1]=4 2778 B9R1.8 CCOC1CCCCO1 c72d85277d313af8f6a59b457effacb6 [0,1,0,1,0,0|0,0,2]=4 2779 B9R1.8 FCOC1CCCCC1 c197a407df0a4ab8cd1695541dd8db87 [0,1,0,1,0,0|1,0,1]=4 2780 B9R1.8 FCOC1CCCCO1 188437cec4861d522453fb2eaf58909a [0,1,0,1,0,0|0,0,2]=4 2781 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [0,1,0,1,0,0|2,0,0]=4 2782 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [0,1,0,1,0,0|2,0,0]=4 2783 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [0,1,0,1,0,0|2,0,0]=4 2784 B9R1.20 CCCN[C@@H]1C[C@@H]1OC 825a0d4a5ca05cfeadb76c25af276c7f [0,1,0,1,0,0|1,0,1]=4 2785 B9R1.22 CCN1CC(=O)SC1S 37ca21c1e1816bfa530b6bbf2b2eaad2 [0,1,0,1,0,0|1,1,0]=4 2786 B9R1.33 CCNC1CCNC1=O 7ca8029da61d3d4038e53b166243ebeb [0,1,0,1,0,0|2,0,0]=4 2787 B9R1.33 CCNC1CCSC1=O b170125bf493751e42532dd86c219256 [0,1,0,1,0,0|1,1,0]=4 2788 B9R1.33 CCNC1CONC1=O d8916a3b97038fb92765b79c0c2fa307 [0,1,0,1,0,0|1,0,0]=3 2789 B9R1.33 CCN[C@@H]1CCNC1=O b778b480924bfa692e02248b56fb56cd [0,1,0,1,0,0|2,0,0]=4 2790 B9R1.33 CCN[C@@H]1CCOC1=O 74b3897799f45738d0bb44924384c10e [0,1,0,1,0,0|1,0,0]=3 2791 B9R1.33 CCN[C@@H]1CONC1=O e20045b5ef59313798e9b6a92cce0e1a [0,1,0,1,0,0|1,0,0]=3 2792 B9R1.33 CCN[C@H]1CCNC1=O 659170641ab39dc9cbd8871033438dcc [0,1,0,1,0,0|2,0,0]=4 2793 B9R1.33 CCN[C@H]1CCOC1=O 5ec21f69d9ce47df74aa6d4e2b7c83d0 [0,1,0,1,0,0|1,0,0]=3 2794 B9R1.33 CCN[C@H]1CONC1=O 12c871b200af3033c6d6052f529438ff [0,1,0,1,0,0|1,0,0]=3 2795 B9R1.33 CCOC1CCCC1=O 19fd59f8b378305519536cfc5c950157 [0,1,0,1,0,0|2,0,0]=4 2796 B9R1.33 CCOC1CCNC1=O 8fdacff95d4ce2d1c3d495fa66f75dd5 [0,1,0,1,0,0|2,0,0]=4 2797 B9R1.33 CCO[C@@H]1CCNC1=O d615de1523fb9db14752de0db1c501b4 [0,1,0,1,0,0|2,0,0]=4 2798 B9R1.33 CCO[C@H]1CCNC1=O 5eaae9c583183b85f65e479b22e5ff87 [0,1,0,1,0,0|2,0,0]=4 2799 B9R1.33 O=C1NOCC1NCF 0a36e73cf135056eab94399dd62fb2b7 [0,1,0,1,0,0|2,0,0]=4 2800 B9R1.33 O=C1NOCC1NCO c2f3865e99f65a0433812f9eb244ee42 [0,1,0,1,0,0|2,0,0]=4 2801 B9R1.33 O=C1NOC[C@@H]1NCF 2c41b6e2c787fc544f1a9192724686de [0,1,0,1,0,0|2,0,0]=4 2802 B9R1.33 O=C1NOC[C@@H]1NCO e07b6c80a0f90a89b95f72226d3b3f7c [0,1,0,1,0,0|2,0,0]=4 2803 B9R1.33 O=C1NOC[C@H]1NCF 0b09ab35afd2e9005d6d226349d6f0da [0,1,0,1,0,0|2,0,0]=4 2804 B9R1.33 O=C1NOC[C@H]1NCO 543fdad51b668c3c823f38e9c138d54a [0,1,0,1,0,0|2,0,0]=4 2805 B9R1.33 O=C1OCCC1OCF b85388f82f2377d14f86f51a66ceceb4 [0,1,0,1,0,0|2,0,0]=4 2806 B9R1.33 O=C1OCC[C@@H]1NCF e1dd4e315ccdd3ee423490069e903050 [0,1,0,1,0,0|2,0,0]=4 2807 B9R1.33 O=C1OCC[C@@H]1NCO fd71f95ebb01bbdbbb2ef25d589937b3 [0,1,0,1,0,0|2,0,0]=4 2808 B9R1.33 O=C1OCC[C@@H]1OCF 04d97e9b330871c6652fe82ab6503f03 [0,1,0,1,0,0|2,0,0]=4 2809 B9R1.33 O=C1OCC[C@H]1NCF f31145c15fd3ca3d3a6551d0366095af [0,1,0,1,0,0|2,0,0]=4 2810 B9R1.33 O=C1OCC[C@H]1NCO e4d04d631c6f331f98f78546df6deaf9 [0,1,0,1,0,0|2,0,0]=4 2811 B9R1.33 O=C1OCC[C@H]1OCF 120575dbb395d8d5ab73f91874f52789 [0,1,0,1,0,0|2,0,0]=4 2812 B9R1.58 CCC1CN(C1)COC 168903f13d4dfd99747843a9bd1b8d27 [0,1,0,1,0,0|2,0,0]=4 2813 B9R1.58 CCCN1CC(C1)OC d7beff01f814392625c831dfc8598b26 [0,1,0,1,0,0|1,0,1]=4 2814 B9R1.58 CCNC1CC(C1)OC 7c6f89943717b9ec1d5248005135e7db [0,1,0,1,0,0|1,0,1]=4 2815 B9R1.58 CCN[C@H]1C[C@@H](C1)OC 0fbe6d02c38c8427dbabcdb64eb60ad4 [0,1,0,1,0,0|1,0,1]=4 2816 B9R1.58 CCN[C@H]1C[C@H](C1)OC 36d31bf3c2eda94b3e8e760d80a175f2 [0,1,0,1,0,0|1,0,1]=4 2817 B9R1.58 CCOC1CC(C1)OC 852734456ad5ebab3aae4b7518d89ed0 [0,1,0,1,0,0|1,0,1]=4 2818 B9R1.58 CCO[C@H]1C[C@@H](C1)OC 30201138ce654d62f906aa8ae8c84d2b [0,1,0,1,0,0|1,0,1]=4 2819 B9R1.58 CCO[C@H]1C[C@H](C1)OC 310b52035eaa4fb7160fd4f4357eaa7a [0,1,0,1,0,0|1,0,1]=4 2820 B9R1.73 C/C=C/C(=O)N1CCC1 d161ea2fc7f5f8fcaeceb4490c2a5926 [0,1,0,1,0,0|2,0,0]=4 2821 B9R1.73 CC#CC(=O)N1CCC1 b751a601ad59dd96fb0e45afd1accb9b [0,1,0,1,0,0|2,0,0]=4 2822 B9R1.73 CC(OCF)C1CCC1 06ac4485af71ed5ecf6e3ed79ce57e2a [0,1,0,1,0,0|1,0,1]=4 2823 B9R1.73 CCCC(=O)N1CCC1 b9e876839971b187f661e113b9a53ca2 [0,1,0,1,0,0|2,0,0]=4 2824 B9R1.73 CCOC(C)C1CCC1 0b24261bffd5879ed99c8dff6e3e7277 [0,1,0,1,0,0|1,0,1]=4 2825 B9R1.73 CCO[C@@H](C)C1CCC1 8e815a4884bd12b4bd9f77f0cc4082b1 [0,1,0,1,0,0|1,0,1]=4 2826 B9R1.73 COCC(=O)N1CCC1 1be76b59a082c319721774708b7b97ff [0,1,0,1,0,0|1,0,0]=3 2827 B9R1.73 COCN(C)C1CCC1 b351297453f8d4b2f5f807dd4a389130 [0,1,0,1,0,0|2,0,0]=4 2828 B9R1.73 CSCC(=O)N1CCC1 aac7954a443bfc0bd85b2b3e7997de58 [0,1,0,1,0,0|1,1,0]=4 2829 B9R1.73 C[C@H](OCF)C1CCC1 a9c582dd064a7b048c1e71613faf2512 [0,1,0,1,0,0|1,0,1]=4 2830 B9R1.73 NOCC(=O)N1CCC1 d6912e0585551186992e4d23f6fa19a8 [0,1,0,1,0,0|2,0,0]=4 2831 B9R1.73 O=C(CCF)N1CCC1 bb559f6885d7d441160ca927c5345104 [0,1,0,1,0,0|2,0,0]=4 2832 B9R1.73 O=C(CCO)N1CCC1 6bf1607e1869d0d3c01dd7fbd6df2013 [0,1,0,1,0,0|2,0,0]=4 2833 B9R1.73 O=C(CCS)N1CCC1 ee796e97333685a3b185a8d5371c5c7a [0,1,0,1,0,0|2,0,0]=4 2834 B9R1.75 C/C=C/C(=O)NC1CC1 844cdbdbcb5e18ae52d47bfa4215f1a6 [0,1,0,1,0,0|2,0,0]=4 2835 B9R1.75 CC#CC(=O)NC1CC1 8ed18c19c41470c394d5a93012c03241 [0,1,0,1,0,0|2,0,0]=4 2836 B9R1.75 CC(CC1CC1)OCF a4cdbc285fe130812cfbb0eed0b3cd90 [0,1,0,1,0,0|1,0,1]=4 2837 B9R1.75 CCCC(=O)NC1CC1 028552bd156ea71ac79a63cdced96f76 [0,1,0,1,0,0|2,0,0]=4 2838 B9R1.75 CCOC(C)CC1CC1 0f29d538d0c6398a5b46e339b080cd7b [0,1,0,1,0,0|1,0,1]=4 2839 B9R1.75 COCC(=O)NC1CC1 3e0ae29c7d67528f5cd80a5eb561d9e7 [0,1,0,1,0,0|1,0,0]=3 2840 B9R1.75 COCN(C)CC1CC1 c439624ee639fad97268f9ac4f76ec58 [0,1,0,1,0,0|2,0,0]=4 2841 B9R1.75 CSCC(=O)NC1CC1 f83b5f322e2be92f01af9e56adb19de5 [0,1,0,1,0,0|1,1,0]=4 2842 B9R1.75 N#CNC(=O)CC1CC1 a538ec87477daf1975c3bb5fe9213dd8 [0,1,0,1,0,0|1,0,1]=4 2843 B9R1.75 NOCC(=O)NC1CC1 e68dfefb7daa877af589463facb9e75e [0,1,0,1,0,0|2,0,0]=4 2844 B9R1.75 O=C(CCF)NC1CC1 f4f959ab785bacb991df30ef7dd32593 [0,1,0,1,0,0|2,0,0]=4 2845 B9R1.75 O=C(CCO)NC1CC1 f15a65ccaca9d8820605caf55c17a155 [0,1,0,1,0,0|2,0,0]=4 2846 B9R1.75 O=C(CCS)NC1CC1 ed08d540c2a5257851f19cb0481e47b0 [0,1,0,1,0,0|2,0,0]=4 2847 B9R1.100 CCOCC(=O)C1CC1 b9194438dffcb8b1a607cfe8f059893d [0,1,0,1,0,0|2,0,0]=4 2848 B9R1.11 CCC(=O)N1CCSC1 3ce8f4b9bb30c56930dd747741a3850d [0,1,0,1,0,0|2,0,0]=4 2849 B9R1.82 CCC(=O)N1CC(C1)F 91195e3d75e44709a7c9ad5de68bd3ab [0,1,0,1,0,0|2,0,0]=4 2850 B9R1.82 CCC(=O)N1CC(C1)O 6c88fbbaadbff4515bdef0fc8a302c00 [0,1,0,1,0,0|2,0,0]=4 2851 B9R1.88 CCN1CC1C(=O)OC f034603aa7057edd7cbcbf568fb8f16a [0,1,0,1,0,0|0,0,0]=2 2852 B9R1.88 CCN1C[C@H]1C(=O)OC f91fd31959795f4d191be975337de98c [0,1,0,1,0,0|0,0,0]=2 2853 B9R1.88 COC(=O)C1CN1C=O 588dcce17856369a72bee49e63aa5f80 [0,1,0,1,0,0|1,0,1]=4 2854 B9R1.88 COC(=O)C1CN1CF d8920555019a1b54b1f0294fbc450fb1 [0,1,0,1,0,0|1,0,0]=3 2855 B9R1.88 COC(=O)C1CN1CO 90cf4da76cb7c6fe31b6fb3dc60e8f6c [0,1,0,1,0,0|1,0,0]=3 2856 B9R1.88 COC(=O)[C@@H]1CN1C=O 82e6a0f30996b86a83ff0a70536c326f [0,1,0,1,0,0|1,0,1]=4 2857 B9R1.88 COC(=O)[C@@H]1CN1CF fc01eb2b8dee62155c1b6ba0209f1261 [0,1,0,1,0,0|1,0,0]=3 2858 B9R1.88 COC(=O)[C@@H]1CN1CO 09a2b35b3698420a9a82ac9cd52accec [0,1,0,1,0,0|1,0,0]=3 2859 B9R1.101 CCC(=O)N(C)C1CC1 4ece58f79bc14395a841bae67334e13b [0,1,0,1,0,0|2,0,0]=4 2860 B9R1.1 CC1CCN(CC1)C=O cd1885c4b5a60655a81f4f7aac11f926 [0,1,0,1,0,0|2,0,0]=4 2861 B9R1.1 CCN1CC=C(CC1)Br f13eef64baa3f192becc16ff7336bfe3 [0,1,0,1,0,0|2,0,0]=4 2862 B9R1.17 CCCNCC1CCO1 787b259f563a64412a05f6375c510307 [0,1,0,1,0,0|1,0,1]=4 2863 B9R1.17 CCCNC[C@@H]1CCO1 09e702ada7d1001485e8ef84f376d413 [0,1,0,1,0,0|1,0,1]=4 2864 B9R1.17 CCCNC[C@H]1CCO1 cff33eb3b6a9e99c0c6a161e680951b7 [0,1,0,1,0,0|1,0,1]=4 2865 B9R1.17 CCCOCC1CCO1 dce9304902398e33f033a8ebfca20c53 [0,1,0,1,0,0|1,0,1]=4 2866 B9R1.17 CCCOC[C@@H]1CCO1 c245ae24508202032a63f9f16acb84cf [0,1,0,1,0,0|1,0,1]=4 2867 B9R1.17 CCCOC[C@H]1CCO1 41d8fefb0693f7efdbac57d0fec29667 [0,1,0,1,0,0|1,0,1]=4 2868 B9R1.17 CCNCCC1CCO1 4ae5fe85c000a9c5bb25d4ff5bb61f46 [0,1,0,1,0,0|1,0,1]=4 2869 B9R1.17 CCNCC[C@@H]1CCO1 87fce7fd72273e8060816918b85a2637 [0,1,0,1,0,0|1,0,1]=4 2870 B9R1.17 CCOCCC1CCO1 cd6091d78b963fcc0d69fc11334e4cc1 [0,1,0,1,0,0|1,0,1]=4 2871 B9R1.17 CCOCC[C@@H]1CCO1 5a8cf1d590ea701c17ab71cbcce8b435 [0,1,0,1,0,0|1,0,1]=4 2872 B9R1.17 CCOCC[C@H]1CCO1 585e9080fae90924dbee753be634e6b9 [0,1,0,1,0,0|1,0,1]=4 2873 B9R1.21 CCC1CCN(C1)C=O 511eb19254d8c6b5ffcb350a73123905 [0,1,0,1,0,0|2,0,0]=4 2874 B9R1.21 CCN1CCC(C1)OC c694f1b910dc1226753ce4b32992673c [0,1,0,1,0,0|1,0,1]=4 2875 B9R1.21 CCN1CC[C@@H](C1)OC 1ae8e779487f2e63cf81c259af35aef4 [0,1,0,1,0,0|1,0,1]=4 2876 B9R1.21 CCN1CC[C@H](C1)OC 873cff4fa445ed81c1c2131adfff35a2 [0,1,0,1,0,0|1,0,1]=4 2877 B9R1.39 CCCNC1COC1C b1aaf2ab047435cf9a15478d5d560ad8 [0,1,0,1,0,0|1,0,1]=4 2878 B9R1.39 CCCN[C@H]1CNC1=O d54fb2abe7455950df3e037f3ce21945 [0,1,0,1,0,0|1,0,0]=3 2879 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,1,0,1,0,0|1,0,0]=3 2880 B9R1.39 CCCOC1COC1C 082863f32e89201820397c080e5dbba8 [0,1,0,1,0,0|1,0,1]=4 2881 B9R1.39 CCOCC1CCC1=O a06c32f97be82794ffc1ab53b750de7f [0,1,0,1,0,0|1,0,0]=3 2882 B9R1.39 COCN[C@H]1CNC1=O 79ec673944e269da0c81c295a4fdcfe4 [0,1,0,1,0,0|2,0,0]=4 2883 B9R1.39 COCOC1CCC1=O cb47f60d015388daefcfa2b6dd0ad8dd [0,1,0,1,0,0|2,0,0]=4 2884 B9R1.39 CSCN[C@H]1CNC1=O 13ab6649debaba6c049234ac9c541a81 [0,1,0,1,0,0|2,0,0]=4 2885 B9R1.39 CSCOC1CCC1=O 7048061bc11cd0d22a524721b970ff41 [0,1,0,1,0,0|2,0,0]=4 2886 B9R1.39 N#CNCC1COC1=O 508bdf99e0140a74c7a5a76be82c820d [0,1,0,1,0,0|1,0,1]=4 2887 B9R1.39 O=C1CCC1COCF 1634c48acd08b0642ca0e9a669398342 [0,1,0,1,0,0|2,0,0]=4 2888 B9R1.39 O=C1CCC1NCCI bbc9d8cfca0a3c47d4f408026b04c9ca [0,1,0,1,0,0|2,0,0]=4 2889 B9R1.39 O=C1CCC1NCCO 6ba8bc28b11ed8fcaf6b4ee2f92451e5 [0,1,0,1,0,0|2,0,0]=4 2890 B9R1.39 O=C1CCC1OCCF dd8162d9e9efdcef395b302d66117a1f [0,1,0,1,0,0|2,0,0]=4 2891 B9R1.39 O=C1CCC1OCCS 623af281b20256d582f920eb3b4a5f07 [0,1,0,1,0,0|2,0,0]=4 2892 B9R1.39 O=C1NC[C@@H]1NCCF 3b54114b322400c0f261b4adfa92d387 [0,1,0,1,0,0|2,0,0]=4 2893 B9R1.39 O=C1NC[C@@H]1NCCO a25df6bd47e1df40656516bf4b95022f [0,1,0,1,0,0|2,0,0]=4 2894 B9R1.39 O=C1NC[C@@H]1NCCS 94cfb0d26c3c333004bc9896c8a1b3ed [0,1,0,1,0,0|2,0,0]=4 2895 B9R1.78 C#CC(=O)NC1CC1C f156b18c8b0c4b6c6ec31aca30c164be [0,1,0,1,0,0|1,0,1]=4 2896 B9R1.78 C=CC(=O)NC1CC1C ac4ea5e99803f2642639241cf2296460 [0,1,0,1,0,0|1,0,1]=4 2897 B9R1.78 CC1CC1NC(=O)C=O 11e45b3c0cb4be1c030cc515c6ac51d7 [0,1,0,1,0,0|2,0,0]=4 2898 B9R1.78 CC1CC1NC(=O)CF 934ceeb88f84d72da00d41678d8ae7d3 [0,1,0,1,0,0|2,0,0]=4 2899 B9R1.78 CC1CC1NC(=O)CO 740515921c7bf5adffa2bc0f92edb9b2 [0,1,0,1,0,0|2,0,0]=4 2900 B9R1.78 CC1CC1NC(=O)CS a0e64b0c4a347fdee2c703de954081d6 [0,1,0,1,0,0|2,0,0]=4 2901 B9R1.78 CCC(=O)NC1CC1C 42c677a5541bbbde1b9869b4aa770e12 [0,1,0,1,0,0|1,0,0]=3 2902 B9R1.78 CCC(=O)N[C@@H]1C[C@H]1F 571748c781d0b470d0028ffd98609571 [0,1,0,1,0,0|2,0,0]=4 2903 B9R1.78 CCC(=O)N[C@H]1C[C@@H]1F fc76781735ad192667442d8184f4a43a [0,1,0,1,0,0|2,0,0]=4 2904 B9R1.78 CCC(=O)N[C@H]1C[C@H]1F 4521c55d514153d7c9ebcbb7fe8e069d [0,1,0,1,0,0|2,0,0]=4 2905 B9R1.79 C#CC(=O)NC1CCC1 d1b6f9342d5f2d331fea3066cb6e81e7 [0,1,0,1,0,0|1,0,1]=4 2906 B9R1.79 C=C(CC)CN1CCC1 a4a5f2c82181704fa3ffa7cf579c1790 [0,1,0,1,0,0|2,0,0]=4 2907 B9R1.79 C=C(CN1CCC1)OC 23e2180b78c76bcf0541659ef038c4a5 [0,1,0,1,0,0|1,0,0]=3 2908 B9R1.79 C=CC(=O)NC1CCC1 c318e34de80e137dfb71a9410142317d [0,1,0,1,0,0|1,0,1]=4 2909 B9R1.79 CCC(=O)CN1CCC1 9b8a54515dd7b03c067360cc9113002b [0,1,0,1,0,0|1,0,0]=3 2910 B9R1.79 CCC(=O)NC1CCC1 269364fc2d30f4a38dda69b505509556 [0,1,0,1,0,0|1,0,0]=3 2911 B9R1.79 CCC(=O)NC1COC1 6739d08e29bd2fa57d1040e7a261b158 [0,1,0,1,0,0|2,0,0]=4 2912 B9R1.79 CNC(=O)CN1CCC1 34c940b2505425ba8a151c0b3e8838b6 [0,1,0,1,0,0|1,0,0]=3 2913 B9R1.79 COC(=O)CN1CCC1 a8f3fa2cf91e8163638e85cafd81936a [0,1,0,1,0,0|0,0,0]=2 2914 B9R1.79 COC(C)CN1CCC1 1cda500b7939a7b1a29fb1a7a52b0c5f [0,1,0,1,0,0|1,0,1]=4 2915 B9R1.79 CO[C@@H](C)CN1CCC1 3140e051c63e594d304bcd131443b146 [0,1,0,1,0,0|1,0,1]=4 2916 B9R1.79 CO[C@H](C)CN1CCC1 8b64526d6e246e923564929e86b8bfa9 [0,1,0,1,0,0|1,0,1]=4 2917 B9R1.79 O=C(CF)NC1CCC1 a9d2c830d70e4baef8d8ccbad12e86b4 [0,1,0,1,0,0|2,0,0]=4 2918 B9R1.79 O=C(CO)CN1CCC1 1812f82997ebe060276760730379ad88 [0,1,0,1,0,0|2,0,0]=4 2919 B9R1.79 O=C(CO)NC1CCC1 0966cf85b1996540e8450078e870cb20 [0,1,0,1,0,0|2,0,0]=4 2920 B9R1.79 O=CC(=O)NC1CCC1 42e01e0dbbe276ce23cdaf55d5bdf28d [0,1,0,1,0,0|2,0,0]=4 2921 B9R1.80 C#CC(=O)NCC1CC1 daa51788d1ac3e4d3ab8e5651686a376 [0,1,0,1,0,0|1,0,1]=4 2922 B9R1.80 C=C(CC)CNC1CC1 b8272a0cf51c5e57c2401bbfd4064aa2 [0,1,0,1,0,0|2,0,0]=4 2923 B9R1.80 C=C(CC)COC1CC1 fb1375842216cac1679e4cf33555d4c9 [0,1,0,1,0,0|2,0,0]=4 2924 B9R1.80 C=C(CNC1CC1)OC 67f94deee5acc57666c6c6c03c894ee9 [0,1,0,1,0,0|1,0,0]=3 2925 B9R1.80 C=C(COC1CC1)OC 2ca81d70db6d04dc129c451b52b91565 [0,1,0,1,0,0|1,0,0]=3 2926 B9R1.80 C=CC(=O)NCC1CC1 c82d60596d8326f64870dc97f1275895 [0,1,0,1,0,0|1,0,1]=4 2927 B9R1.80 CCC(=O)CNC1CC1 37826a98e92108ea7fc6fac87e9bc89f [0,1,0,1,0,0|1,0,0]=3 2928 B9R1.80 CCC(=O)COC1CC1 91b908d3bdda21bf408da4d85b40356e [0,1,0,1,0,0|1,0,0]=3 2929 B9R1.80 CCC(=O)NCC1CC1 0fd8034b5195a5a694e4806b7766cc71 [0,1,0,1,0,0|1,0,0]=3 2930 B9R1.80 CNC(=O)CNC1CC1 7b00deb42f44eacf971e8df243f3d5fb [0,1,0,1,0,0|1,0,0]=3 2931 B9R1.80 CNC(=O)COC1CC1 ff73b75ee898dc4ab042a3386accab58 [0,1,0,1,0,0|1,0,0]=3 2932 B9R1.80 COC(=O)CNC1CC1 37b7063fe7ca1fcea414d9751a83b310 [0,1,0,1,0,0|0,0,0]=2 2933 B9R1.80 COC(=O)COC1CC1 ac4fde0d4cebfa3b71c6179e0035aa22 [0,1,0,1,0,0|0,0,0]=2 2934 B9R1.80 COC(C)CNC1CC1 727983c6dc28403e6688afe5a3e67fc4 [0,1,0,1,0,0|1,0,1]=4 2935 B9R1.80 COC(C)COC1CC1 73d0084e856d56092fef485aae91c26d [0,1,0,1,0,0|1,0,1]=4 2936 B9R1.80 CO[C@@H](C)CNC1CC1 c404c90376ceb842dcf57d826c8d3729 [0,1,0,1,0,0|1,0,1]=4 2937 B9R1.80 CO[C@@H](C)COC1CC1 b6663dd0ac92434556ee3f30f869aff1 [0,1,0,1,0,0|1,0,1]=4 2938 B9R1.80 CO[C@H](C)CNC1CC1 0016af7d016d4b993f8fa296db8d9876 [0,1,0,1,0,0|1,0,1]=4 2939 B9R1.80 CO[C@H](C)COC1CC1 8f7a52a5d4cfd3e78bc41c6ff1c41086 [0,1,0,1,0,0|1,0,1]=4 2940 B9R1.80 O=C(CF)NCC1CC1 bd65a3abd206f713d85d03567008090d [0,1,0,1,0,0|2,0,0]=4 2941 B9R1.80 O=C(CNC1CC1)NO 336918cceffa2835ff69e4f871ea2b67 [0,1,0,1,0,0|2,0,0]=4 2942 B9R1.80 O=C(CO)CNC1CC1 8ca5e06ba58066d00de17d8cea9c9025 [0,1,0,1,0,0|2,0,0]=4 2943 B9R1.80 O=C(CO)NCC1CC1 1aa11e15f6d97fd26e12f2bf021722dd [0,1,0,1,0,0|2,0,0]=4 2944 B9R1.80 O=C(CS)NCC1CC1 4799434c4261038cc690dddbd1100a1e [0,1,0,1,0,0|2,0,0]=4 2945 B9R1.80 O=CC(=O)NCC1CC1 f85b85f0b158ad0ed7afad1789eae3f6 [0,1,0,1,0,0|2,0,0]=4 2946 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [0,1,0,1,0,0|2,0,0]=4 2947 B9R1.35 CC(C)N1CNC(=O)C1 df3ce712d6a54b3ff1bfa9ba9b4c87dc [0,1,0,1,0,0|2,0,0]=4 2948 B9R1.110 C=C(C)C(=O)N1CCC1 227bbdfdec6432a916fba8f13b2aff4a [0,1,0,1,0,0|2,0,0]=4 2949 B9R1.110 CC(=O)C(=O)N1CCC1 662b3c75fc1a1268e8773cb4c5de0ecc [0,1,0,1,0,0|2,0,0]=4 2950 B9R1.110 CC(F)C(=O)N1CCC1 8f91c5a12e8b961bac4adc7896880de8 [0,1,0,1,0,0|2,0,0]=4 2951 B9R1.110 CC(O)C(=O)N1CCC1 9e4aade68272a8e199070867244c4269 [0,1,0,1,0,0|2,0,0]=4 2952 B9R1.110 CC(S)C(=O)N1CCC1 8c324525feee81d16951ce8f1e079457 [0,1,0,1,0,0|2,0,0]=4 2953 B9R1.110 C[C@@H](F)C(=O)N1CCC1 52e439b2210b22b14596d5594b0801af [0,1,0,1,0,0|2,0,0]=4 2954 B9R1.110 C[C@@H](O)C(=O)N1CCC1 231b5601d9b62a276083865dcc85f8a4 [0,1,0,1,0,0|2,0,0]=4 2955 B9R1.110 C[C@H](F)C(=O)N1CCC1 de0d30ef6fb990c7a92c58c7e04c983f [0,1,0,1,0,0|2,0,0]=4 2956 B9R1.110 C[C@H](O)C(=O)N1CCC1 0003c4ebc6bf08459b6e8daca27eb658 [0,1,0,1,0,0|2,0,0]=4 2957 B9R1.112 C=C(C)C(=O)NC1CC1 c911c1432d0549e30c351e198057c7c8 [0,1,0,1,0,0|2,0,0]=4 2958 B9R1.112 CC(=O)C(=O)NC1CC1 8c727b8e9becb04e21c45432c800cd9b [0,1,0,1,0,0|2,0,0]=4 2959 B9R1.112 CC(F)C(=O)NC1CC1 b8ecf046725f2a5fab98b1116b743125 [0,1,0,1,0,0|2,0,0]=4 2960 B9R1.112 CC(O)C(=O)NC1CC1 6998829b9d00b08fcc68371db3aeed09 [0,1,0,1,0,0|2,0,0]=4 2961 B9R1.112 CC(S)C(=O)NC1CC1 d7143a0b3b647941baeca87fea3e603c [0,1,0,1,0,0|2,0,0]=4 2962 B9R1.112 C[C@@H](F)C(=O)NC1CC1 524bfde810f45a0358dead993190a61e [0,1,0,1,0,0|2,0,0]=4 2963 B9R1.112 C[C@@H](O)C(=O)NC1CC1 087b02e36f5bcb44c0f78a2ced86b088 [0,1,0,1,0,0|2,0,0]=4 2964 B9R1.112 C[C@H](F)C(=O)NC1CC1 1f5bda051bb0896d422be44896865341 [0,1,0,1,0,0|2,0,0]=4 2965 B9R1.112 C[C@H](O)C(=O)NC1CC1 7b28e7c5360fdc94ee42f7df68ea800f [0,1,0,1,0,0|2,0,0]=4 2966 B9R1.67 CC(C)N[C@H]1CNC1=O 3974b22a7367872daaa4f688eda0456a [0,1,0,1,0,0|2,0,0]=4 2967 B9R1.67 CC(C)OC1CCC1=O 11e32319af5fad4b832da68a85d1c646 [0,1,0,1,0,0|2,0,0]=4 2968 B9R1.185 CCC(=O)N1CC1(C)C 4c36646e748a5e93c74fddfbc10f7054 [0,1,0,1,0,0|2,0,0]=4 2969 B9R1.70 CCN(C=O)C1CCC1 6d12deedf9cf0352c456907dbf34f697 [0,1,0,1,0,0|2,0,0]=4 2970 B9R1.72 CCN(C=O)CC1CC1 99a2c6292d0ebe2aac1f90170dfc9802 [0,1,0,1,0,0|2,0,0]=4 2971 B9R1.113 CCC(=O)NC1(CC1)C 1b8a936d0d1fabb5efa74f7843184644 [0,1,0,1,0,0|2,0,0]=4