0 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,0,0,0,0,0|3,0,1]=4 1 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,0,0,0,0,0|2,0,1]=4 2 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,1,0,0,0,0|3,0,0]=4 3 B6R0.1 C=C(C=O)OCF d1643e67cfe1838c4e32b694bc3648e2 [0,1,0,0,0,0|3,0,0]=4 4 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|3,0,0]=4 5 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|3,0,0]=4 6 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,1,0,0,0,0|3,0,0]=4 7 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|2,1,0]=4 9 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [0,1,0,0,0,0|3,0,0]=4 10 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,1,0,0,0,0|2,1,0]=4 11 B6R0.1 N#CNC(=O)CO 236f04c3f08af6bcd8e67780d27f25bf [0,1,0,0,0,0|2,0,1]=4 12 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,0,0,0,0|3,0,0]=4 13 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,1,0,0,0,0|2,0,1]=4 14 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,1,0,0,0,0|3,0,0]=4 15 B6R0.4 C=C(Br)CNCF 7c97187d15161b8d316e611ae308f21e [0,1,0,0,0,0|3,0,0]=4 16 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,1,0,0,0,0|2,1,0]=4 17 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,1,0,0,0,0|3,0,0]=4 18 B6R0.4 C=C(Br)COCF 692f2becec52dcdf557b19f93fe68748 [0,1,0,0,0,0|3,0,0]=4 19 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,0,0,0,0|3,0,0]=4 20 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,1,0,0,0,0|3,0,0]=4 21 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,1,0,0,0,0|2,1,0]=4 22 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,0,0,0,0|3,0,0]=4 23 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,0,0,0,0|3,0,0]=4 24 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,1,0,0,0,0|3,0,0]=4 25 B6R0.4 C=C(Cl)COCF ca79da42122b4115d17b6448109deb3c [0,1,0,0,0,0|3,0,0]=4 26 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,1,0,0,0,0|3,0,0]=4 27 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.4 C=C(I)COCF 7e74b05c12bc279148db4a6a8dd56e90 [0,1,0,0,0,0|3,0,0]=4 29 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,1,0,0,0,0|1,1,1]=4 30 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,0,0,0,0|1,1,0]=3 32 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,0,0,0,0|2,0,0]=3 33 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,0,0,0,0|2,0,0]=3 35 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,0,0,0,0|2,0,0]=3 36 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,0,0,0,0|2,0,0]=3 37 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,1,0,0,0,0|1,1,0]=3 38 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,1,0,0,0,0|1,0,0]=2 39 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,1,0,0,0,0|2,0,1]=4 40 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,1,0,0,0,0|2,0,1]=4 42 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,1,0,0,0,0|1,1,1]=4 43 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,0,0,0,0|2,0,0]=3 45 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,1,0,0,0,0|2,0,1]=4 48 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,0,0,0,0|2,0,0]=3 51 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,1,0,0,0,0|2,0,0]=3 52 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,1,0,0,0,0|1,0,0]=2 53 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,1,0,0,0,0|2,1,0]=4 54 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,1,0,0,0,0|2,0,1]=4 56 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,1,0,0,0,0|1,1,1]=4 57 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,1,0,0,0,0|1,1,1]=4 59 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,1,0,0,0,0|1,1,1]=4 62 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,1,0,0,0,0|2,0,0]=3 63 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,1,0,0,0,0|1,1,0]=3 64 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,1,0,0,0,0|2,0,0]=3 65 B6R0.4 NC(=S)COCF 656cb42c290d81f49517967a9160e9b8 [0,1,0,0,0,0|2,1,0]=4 66 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,1,0,0,0,0|1,0,0]=2 67 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,1,0,0,0,0|0,1,0]=2 68 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,1,0,0,0,0|1,0,0]=2 69 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,1,0,0,0,0|2,0,0]=3 70 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,1,0,0,0,0|2,0,0]=4 71 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,1,0,0,0,0|1,0,0]=3 73 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|1,0,1]=4 74 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,1,0,0,0,0|1,0,1]=4 75 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,1,0,0,0,0|1,0,1]=4 76 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|1,0,1]=4 77 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [1,1,0,0,0,0|1,0,1]=4 80 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [1,1,0,0,0,0|1,0,1]=4 81 B5R0.2 N#CNCCS acd2c3aea28fc33dac0673fcfba0648d [1,1,0,0,0,0|1,0,1]=4 82 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,1,0,0,0,0|1,0,0]=3 83 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,1,0,0,0,0|1,0,0]=3 85 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,1,0,0,0,0|0,1,0]=3 86 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,1,0,0,0,0|0,0,0]=2 87 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,1,0,0,0,0|0,1,1]=4 89 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,1,0,0,0,0|1,0,1]=4 90 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,1,0,0,0,0|1,0,1]=4 91 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,1,0,0,0,0|1,0,1]=4 92 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,1,0,0,0,0|0,0,1]=3 93 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,2,0,0,0,0|1,1,0]=4 94 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,2,0,0,0,0|1,1,0]=4 95 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,2,0,0,0,0|1,1,0]=4 96 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,2,0,0,0,0|2,0,0]=4 97 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,2,0,0,0,0|2,0,0]=4 98 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,2,0,0,0,0|1,0,0]=3 99 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,2,0,0,0,0|2,0,0]=4 101 B7R0.2 CN(CF)CC(=O)N 35f09c99eb4485b888503c93a96568a5 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.2 CN(CF)CC(=O)O 7d1eb1d71c500640f6029a70869bff49 [0,2,0,0,0,0|1,0,0]=3 103 B7R0.2 CN(CO)CC(=O)N 731e626c7cf4b35c02c8b97f3321d2b5 [0,2,0,0,0,0|1,1,0]=4 104 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,2,0,0,0,0|0,1,0]=3 105 B7R0.3 C#CC(=O)NCCBr 4e7606b090d079dad338fcb3b3531ca6 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,2,0,0,0,0|2,0,0]=4 107 B7R0.3 C#CC(=O)NCCF 0890b45106e9e8df323c27183e746605 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.3 C#CC(=O)NCCI b79a2019875390d416fe2aefcbe1af43 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.3 C#CC(=O)NCCO c110abd6360d09a8f1de8aab1b75fd14 [0,2,0,0,0,0|1,1,0]=4 110 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [0,2,0,0,0,0|1,0,0]=3 111 B7R0.3 C#CCNC(=O)CO 2c93e118ea6c2ce38cf0db5343c819bd [0,2,0,0,0,0|1,0,1]=4 112 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,2,0,0,0,0|2,0,0]=4 113 B7R0.3 C=C(C=O)OCCF f36f281a47e9b29afb82a09d8a3f6a4b [0,2,0,0,0,0|2,0,0]=4 114 B7R0.3 C=C(C=O)OCCS 77fec4c96c514d23c04a525ff34b91e2 [0,2,0,0,0,0|1,0,0]=3 115 B7R0.3 C=C(C=O)OCSC c329dc66e0c8ef5c815429253c081723 [0,2,0,0,0,0|2,0,0]=4 116 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,2,0,0,0,0|2,0,0]=4 117 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,2,0,0,0,0|2,0,0]=4 118 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,2,0,0,0,0|2,0,0]=4 119 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,2,0,0,0,0|2,0,0]=4 120 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,2,0,0,0,0|1,1,0]=4 121 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,2,0,0,0,0|1,0,0]=3 122 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|1,0,1]=4 123 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|1,0,1]=4 124 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [0,2,0,0,0,0|1,0,1]=4 125 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,2,0,0,0,0|2,0,0]=4 126 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,2,0,0,0,0|2,0,0]=4 128 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,2,0,0,0,0|1,1,0]=4 130 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,2,0,0,0,0|1,0,0]=3 131 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,2,0,0,0,0|1,0,1]=4 132 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,2,0,0,0,0|2,0,0]=4 133 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,2,0,0,0,0|2,0,0]=4 134 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,2,0,0,0,0|1,0,0]=3 135 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,2,0,0,0,0|1,1,0]=4 136 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,2,0,0,0,0|2,0,0]=4 137 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,2,0,0,0,0|1,0,0]=3 138 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,2,0,0,0,0|1,0,0]=3 139 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,2,0,0,0,0|2,0,0]=4 140 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,2,0,0,0,0|2,0,0]=4 141 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,2,0,0,0,0|1,0,0]=3 142 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [0,2,0,0,0,0|2,0,0]=4 143 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,2,0,0,0,0|1,1,0]=4 144 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [0,2,0,0,0,0|2,0,0]=4 145 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,2,0,0,0,0|0,1,1]=4 147 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [0,2,0,0,0,0|1,0,0]=3 148 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,2,0,0,0,0|0,1,0]=3 149 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [0,2,0,0,0,0|1,0,0]=3 150 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,2,0,0,0,0|2,0,0]=4 151 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [0,2,0,0,0,0|2,0,0]=4 152 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.3 N#CCNC(=O)CO 8dbd9904ced2105da92f338ff81f2cd3 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.3 N#CNCC(=O)CO 70d7ce6c717a89b56589c42b1345533c [0,2,0,0,0,0|1,0,1]=4 158 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [0,2,0,0,0,0|2,0,0]=4 160 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [0,2,0,0,0,0|2,0,0]=4 161 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,2,0,0,0,0|1,1,0]=4 162 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [0,2,0,0,0,0|1,0,0]=3 163 B7R0.3 O=C(CNCF)NO 56dda9ea00f77e2491394a26c36ddff8 [0,2,0,0,0,0|1,0,0]=3 164 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [0,2,0,0,0,0|0,1,0]=3 165 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [0,2,0,0,0,0|1,0,0]=3 166 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [0,2,0,0,0,0|1,0,0]=3 167 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [0,2,0,0,0,0|1,0,0]=3 168 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,2,0,0,0,0|0,1,0]=3 169 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [0,2,0,0,0,0|0,0,0]=2 170 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,2,0,0,0,0|1,1,0]=4 171 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,2,0,0,0,0|1,1,0]=4 172 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,2,0,0,0,0|1,1,0]=4 173 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,2,0,0,0,0|0,2,0]=4 174 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,2,0,0,0,0|0,1,0]=3 175 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,2,0,0,0,0|1,0,1]=4 177 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,2,0,0,0,0|0,1,1]=4 179 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,2,0,0,0,0|0,0,1]=3 180 B7R0.3 O=CNCC(=O)NO 2a6f44f0a455b32a62c0f05c89977d8b [0,2,0,0,0,0|0,1,1]=4 181 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,2,0,0,0,0|2,0,0]=4 182 B7R0.5 CC(=O)N(C)CCF 4c9e9e2bb017d5fcf5d5113705af3b65 [0,2,0,0,0,0|2,0,0]=4 183 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,2,0,0,0,0|1,1,0]=4 184 B7R0.5 CC(NC#N)C(=O)O 392de9697c4a5dcddc67adbe8abaabb3 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [0,2,0,0,0,0|2,0,0]=4 186 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,2,0,0,0,0|1,0,0]=3 187 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,2,0,0,0,0|1,1,0]=4 188 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,2,0,0,0,0|0,1,0]=3 189 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,2,0,0,0,0|2,0,0]=4 190 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,2,0,0,0,0|1,0,0]=3 191 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,2,0,0,0,0|2,0,0]=4 192 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,2,0,0,0,0|1,0,0]=3 194 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,2,0,0,0,0|1,0,0]=3 195 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,2,0,0,0,0|1,0,0]=3 197 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,2,0,0,0,0|2,0,0]=4 198 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,2,0,0,0,0|2,0,0]=4 200 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,2,0,0,0,0|2,0,0]=4 201 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,2,0,0,0,0|1,0,0]=3 202 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,2,0,0,0,0|2,0,0]=4 203 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,2,0,0,0,0|1,0,0]=3 204 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,2,0,0,0,0|1,0,0]=3 206 B7R0.5 C[C@@H](NC#N)C(=O)O e0e1898c2dc69a65dfbe178be463caf4 [0,2,0,0,0,0|1,0,1]=4 207 B7R0.5 C[C@@H](NCF)C(=O)N fc8e15aaec185b1ab510ce9a3e07d389 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [0,2,0,0,0,0|1,0,0]=3 209 B7R0.5 C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,2,0,0,0,0|1,1,0]=4 210 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,2,0,0,0,0|0,1,0]=3 211 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,2,0,0,0,0|2,0,0]=4 212 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,2,0,0,0,0|1,0,0]=3 213 B7R0.5 C[C@H](NC#N)C(=O)O 001f1128fc667ba9af909598a06ab98b [0,2,0,0,0,0|1,0,1]=4 214 B7R0.5 C[C@H](NCF)C(=O)N ec9ad2764694c43582e2759286389cce [0,2,0,0,0,0|2,0,0]=4 215 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,2,0,0,0,0|1,0,0]=3 216 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,2,0,0,0,0|1,1,0]=4 217 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,2,0,0,0,0|0,1,0]=3 218 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,2,0,0,0,0|2,0,0]=4 219 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,2,0,0,0,0|1,0,0]=3 221 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,2,0,0,0,0|0,1,0]=3 222 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,2,0,0,0,0|2,0,0]=4 223 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,2,0,0,0,0|1,1,0]=4 224 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [0,2,0,0,0,0|1,1,0]=4 225 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,2,0,0,0,0|2,0,0]=4 226 B7R0.7 N#CNC(=O)CCF 2d38b0a901d33b11182071085ffedd88 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.7 N#CNC(=O)CCO 21159348c5eb316e27f10d66411c699d [0,2,0,0,0,0|1,1,0]=4 228 B7R0.7 N#CNC(=O)CCS 4c8d70dcb6c079601a678239569cd2dc [0,2,0,0,0,0|1,0,0]=3 229 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,2,0,0,0,0|2,0,0]=4 230 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,2,0,0,0,0|1,1,0]=4 231 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.4 C#CCNCC(=O)N 192103ba8fad459d76fc07062abce874 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,2,0,0,0,0|1,0,0]=3 235 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,2,0,0,0,0|1,0,0]=3 238 B7R0.4 C#CCOCS(=O)O 461253e78134dc3f8ca81d83bd120613 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.4 C=C(Br)CNCCS dca08c6fd8d32a0e9dbeabff228c3836 [0,2,0,0,0,0|2,0,0]=4 240 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,2,0,0,0,0|2,0,0]=4 241 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [0,2,0,0,0,0|2,0,0]=4 242 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,2,0,0,0,0|2,0,0]=4 244 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,2,0,0,0,0|2,0,0]=4 245 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,2,0,0,0,0|2,0,0]=4 247 B7R0.4 C=C(Cl)CNCCS c3d4b5e9deb92301fa96d0a10ab7e0a9 [0,2,0,0,0,0|2,0,0]=4 248 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.4 C=C(F)CNCCS 93ef00bb86767141facd92bc2b3d3770 [0,2,0,0,0,0|2,0,0]=4 251 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [0,2,0,0,0,0|2,0,0]=4 252 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [0,2,0,0,0,0|2,0,0]=4 254 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,2,0,0,0,0|2,0,0]=4 255 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,2,0,0,0,0|2,0,0]=4 256 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,2,0,0,0,0|2,0,0]=4 257 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,2,0,0,0,0|1,0,0]=3 259 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,2,0,0,0,0|2,0,0]=4 260 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,2,0,0,0,0|2,0,0]=4 261 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,2,0,0,0,0|1,0,0]=3 262 B7R0.4 C=CCOCS(=O)O a1ef4061d59bf78682bff1f70f194383 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,2,0,0,0,0|1,1,0]=4 265 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,2,0,0,0,0|2,0,0]=4 266 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,2,0,0,0,0|1,1,0]=4 267 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,2,0,0,0,0|2,0,0]=4 268 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,2,0,0,0,0|1,1,0]=4 269 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,2,0,0,0,0|1,0,0]=3 270 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,2,0,0,0,0|1,1,0]=4 272 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,2,0,0,0,0|2,0,0]=4 273 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,2,0,0,0,0|2,0,0]=4 276 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,2,0,0,0,0|1,1,0]=4 277 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,2,0,0,0,0|1,1,0]=4 278 B7R0.4 CC(=O)NCOCF bbf9571051543191a8870eae955bf479 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,2,0,0,0,0|1,0,1]=4 280 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,2,0,0,0,0|2,0,0]=4 282 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,2,0,0,0,0|2,0,0]=4 283 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,2,0,0,0,0|1,0,0]=3 284 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,2,0,0,0,0|2,0,0]=4 285 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,2,0,0,0,0|2,0,0]=4 286 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,2,0,0,0,0|1,0,0]=3 287 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [0,2,0,0,0,0|2,0,0]=4 288 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,2,0,0,0,0|2,0,0]=4 289 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,2,0,0,0,0|1,0,0]=3 290 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [0,2,0,0,0,0|2,0,0]=4 291 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,2,0,0,0,0|1,1,0]=4 292 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,2,0,0,0,0|1,1,0]=4 293 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,2,0,0,0,0|0,1,0]=3 294 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,2,0,0,0,0|2,0,0]=4 295 B7R0.4 CCOCNC(=O)N 7f110a3bce734439d6da5de9a8afdb1c [0,2,0,0,0,0|2,0,0]=4 296 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,2,0,0,0,0|1,1,0]=4 297 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,2,0,0,0,0|1,1,0]=4 298 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,2,0,0,0,0|1,1,0]=4 299 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,2,0,0,0,0|0,1,0]=3 300 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,2,0,0,0,0|1,1,0]=4 301 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,2,0,0,0,0|1,1,0]=4 302 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,2,0,0,0,0|0,1,0]=3 303 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,2,0,0,0,0|1,1,0]=4 304 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,2,0,0,0,0|1,0,0]=3 307 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,2,0,0,0,0|0,0,0]=2 308 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,2,0,0,0,0|1,0,1]=4 309 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,2,0,0,0,0|1,0,1]=4 311 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,2,0,0,0,0|1,0,0]=3 312 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,2,0,0,0,0|1,0,0]=3 313 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,2,0,0,0,0|0,0,0]=2 314 B7R0.4 CSCOCC(=S)N 96e836b78f31f1ad4b44d4ed57e66856 [0,2,0,0,0,0|1,1,0]=4 315 B7R0.4 CSCOCS(=O)O 10c14278cf265246d24f329a9e0b0189 [0,2,0,0,0,0|1,0,0]=3 316 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,2,0,0,0,0|1,0,1]=4 318 B7R0.4 N#CCNCC(=O)N 1b074661588ba0117e64361bcac47550 [0,2,0,0,0,0|2,0,0]=4 319 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,2,0,0,0,0|1,0,0]=3 320 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,2,0,0,0,0|2,0,0]=4 321 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.4 N#CCOCS(=O)O b212d5bf711bec53582e905085b60440 [0,2,0,0,0,0|2,0,0]=4 323 B7R0.4 N#CNCCC(=O)N 8dd90bc67de63e662194ecc9ed95a453 [0,2,0,0,0,0|2,0,0]=4 324 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,2,0,0,0,0|1,0,0]=3 325 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,2,0,0,0,0|1,1,0]=4 326 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,2,0,0,0,0|2,0,0]=4 327 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,2,0,0,0,0|1,1,0]=4 328 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,2,0,0,0,0|1,1,0]=4 329 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,2,0,0,0,0|1,1,0]=4 330 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,2,0,0,0,0|2,0,0]=4 331 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,2,0,0,0,0|2,0,0]=4 332 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,2,0,0,0,0|1,1,0]=4 334 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,2,0,0,0,0|1,0,0]=3 335 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,2,0,0,0,0|1,1,0]=4 336 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,2,0,0,0,0|2,0,0]=4 337 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,2,0,0,0,0|1,0,0]=3 338 B7R0.4 NC(=O)NCOCF 223fa95252602925b8cb08f5b19a776e [0,2,0,0,0,0|2,0,0]=4 339 B7R0.4 NC(=S)COCCS d0f39cb8cbdd46f7cd10195660ea1028 [0,2,0,0,0,0|1,1,0]=4 340 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,2,0,0,0,0|1,0,0]=3 341 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,2,0,0,0,0|0,1,0]=3 342 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,2,0,0,0,0|0,1,0]=3 343 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,2,0,0,0,0|1,0,0]=3 344 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,2,0,0,0,0|1,0,0]=3 345 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,2,0,0,0,0|0,1,0]=3 347 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,2,0,0,0,0|0,0,0]=2 348 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,2,0,0,0,0|1,0,0]=3 349 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,2,0,0,0,0|0,0,0]=2 350 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,2,0,0,0,0|0,1,0]=3 351 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,2,0,0,0,0|0,1,0]=3 352 B7R0.4 O=CCOCS(=O)O 141d1f578b26500f644754e34ae7763f [0,2,0,0,0,0|1,1,0]=4 353 B7R0.4 O=CNCCS(=O)O 70e230477665e9d8fed41cd897568279 [0,2,0,0,0,0|1,1,0]=4 354 B7R0.4 O=S(O)CCNCF 5944b9373ff00d58b6529129c165d8a2 [0,2,0,0,0,0|2,0,0]=4 355 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,2,0,0,0,0|1,1,0]=4 356 B7R0.4 O=S(O)COCCF c36497384bf0c1557cb58aa4b3a78d7a [0,2,0,0,0,0|2,0,0]=4 357 B7R0.4 O=S(O)COCCS 210a74b93542982df908b08eade068db [0,2,0,0,0,0|1,0,0]=3 358 B7R0.4 O=[N+]([O-])CNCCS 295b59c1dfc9e00bdb8a8fce46a4d66a [0,2,0,0,0,0|1,0,1]=4 359 B7R0.4 O=[N+]([O-])COCCS 3483ea2430a9838c713aea5e4187205b [0,2,0,0,0,0|1,0,1]=4 360 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,2,0,0,0,0|2,0,0]=4 361 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,2,0,0,0,0|2,0,0]=4 362 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,2,0,0,0,0|2,0,0]=4 363 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,2,0,0,0,0|1,1,0]=4 364 B7R0.6 CC(=O)NCC(F)F 959be05a9a4844ba21e7e7426b42132e [0,2,0,0,0,0|2,0,0]=4 365 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,2,0,0,0,0|1,1,0]=4 366 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,2,0,0,0,0|1,1,0]=4 367 B7R0.6 CC(C)NCC(=O)N fce70d443053108c75f9dd76e148c70e [0,2,0,0,0,0|2,0,0]=4 368 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.6 CC(C)OCC(=O)N 2925a3543d892638d60eb7349262c8f3 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,2,0,0,0,0|1,0,0]=3 371 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.8 CCNCS(=O)(=O)O bbcfc5d6d557b34dea0908a35a8ee7e3 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.8 O=S(=O)(O)CNCF 6ea5362290a19bda60796e264970bbdb [0,2,0,0,0,0|2,0,0]=4 374 B7R0.8 O=S(=O)(O)CNCO 423f9b4bc47552a40f5125b8cb5a3832 [0,2,0,0,0,0|1,1,0]=4 375 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,1,0,0|2,0,0]=4 376 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,1,0,1,0,0|2,0,0]=4 377 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,1,0,1,0,0|2,0,0]=4 378 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,1,0,1,0,0|2,0,0]=4