0 B5R0.2 C=CCNC#N e8c6da75dd11dcee984b80ea6a85e924 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [0,0,0,0,0,0|1,0,2]=3 2 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [0,0,0,0,0,0|2,0,1]=3 3 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [0,0,0,0,0,0|2,0,1]=3 5 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [0,0,0,0,0,0|2,0,1]=3 9 B4R0.2 N#CNC=O 59e0103a779e5b0a13a338a320bd9101 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 C#CC(C)NC=O 50c944dc0c2f52246cf2f8b75f249da5 [0,1,0,0,0,0|1,0,2]=4 11 B6R0.1 C#CCN(C)C=O ddfa5ba776054c2a7c5ce6a0cde7a3ee [0,1,0,0,0,0|1,0,2]=4 12 B6R0.1 C#C[C@@H](C)NC=O 4fee702505a1fdefb270b5b6e9eb7aa3 [0,1,0,0,0,0|1,0,2]=4 13 B6R0.1 C#C[C@H](C)NC=O 55f7e717dc246fc1c154a9332387447d [0,1,0,0,0,0|1,0,2]=4 14 B6R0.1 C=CC(C)NC#N 2a7109b4baa8d6cba377db19db0fc72f [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,1,0,0,0,0|1,0,0]=2 16 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,1,0,0,0,0|2,0,1]=4 18 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 C=CCN(C)C=O 45f12923080415e1dfc85b1fcae28d16 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,1,0,0,0,0|2,0,1]=4 23 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [0,1,0,0,0,0|2,0,1]=4 24 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,1,0,0,0,0|1,0,2]=4 25 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|2,0,1]=4 26 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 CC(C#N)NC=O bab971dbe2c7155864d30c197f73349b [0,1,0,0,0,0|2,0,1]=4 28 B6R0.1 CC(C=O)NC#N 4334a96823d7b333d7c55841b70479fe [0,1,0,0,0,0|2,0,1]=4 29 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,1,0,0,0,0|2,0,1]=4 31 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,1,0,0,0,0|1,0,2]=4 32 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|1,0,2]=4 33 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,1,0,0,0,0|1,0,2]=4 34 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,1,0,0,0,0|1,0,2]=4 36 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,1,0,0,0,0|1,0,2]=4 37 B6R0.1 CN(C=O)CC#N a7a395c841bf1c778a7b432155652f5f [0,1,0,0,0,0|2,0,1]=4 38 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|2,0,1]=4 39 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 C[C@H](C=O)NC#N 561b679827239db41a575e4f622826ae [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,1,0,0,0,0|2,0,1]=4 43 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,1,0,0,0,0|1,0,2]=4 44 B6R0.4 C=C(Br)CNC#N a2b62f214b73ab3b66b1dc0e6001e25f [0,1,0,0,0,0|2,0,1]=4 45 B6R0.4 C=C(Br)CNC=O 2e020a236ab831176aea02028302e186 [0,1,0,0,0,0|1,0,0]=2 46 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,1,0,0,0,0|2,0,1]=4 47 B6R0.4 C=C(Br)CNCF 7c97187d15161b8d316e611ae308f21e [0,1,0,0,0,0|2,0,1]=4 48 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,1,0,0,0,0|1,0,2]=4 49 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.4 C=C(Br)COCF 692f2becec52dcdf557b19f93fe68748 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.4 C=C(C)CNC#N d9b89b4c8025f48614cd8e95d5f70606 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.4 C=C(C)CNC=O 0d0687e6ed98c39501c4c0fd9c1a287e [0,1,0,0,0,0|1,0,0]=2 53 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,0,0,0,0|2,0,1]=4 54 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,1,0,0,0,0|2,0,1]=4 55 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,1,0,0,0,0|1,0,2]=4 56 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,0,0,0,0|2,0,1]=4 57 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,0,0,0,0|2,0,1]=4 58 B6R0.4 C=C(Cl)CNC#N a9feec053b2ae83e6c821afbad367af3 [0,1,0,0,0,0|2,0,1]=4 59 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,1,0,0,0,0|2,0,1]=4 60 B6R0.4 C=C(Cl)COCF ca79da42122b4115d17b6448109deb3c [0,1,0,0,0,0|2,0,1]=4 61 B6R0.4 C=C(F)CNC#N fdddf59652fe284b7d928c8bb4c4675b [0,1,0,0,0,0|2,0,1]=4 62 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,1,0,0,0,0|2,0,1]=4 63 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,1,0,0,0,0|2,0,1]=4 64 B6R0.4 C=C(I)COCF 7e74b05c12bc279148db4a6a8dd56e90 [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,0,0,0,0|2,0,1]=4 68 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,0,0,0,0|2,0,1]=4 69 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,0,0,0,0|2,0,1]=4 73 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,0,0,0,0|2,0,1]=4 74 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.4 CC(C)CNC=O e82c18370445f70bde3f0aa61f9296e6 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,1,0,0,0,0|1,0,2]=4 78 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [0,1,0,0,0,0|1,0,2]=4 79 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,0,0,0,0|1,0,2]=4 81 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,1,0,0,0,0|1,0,2]=4 82 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,1,0,0,0,0|1,0,2]=4 83 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,0,0,0,0|1,0,2]=4 84 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,1,0,0,0,0|1,0,2]=4 85 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,1,0,0,0,0|1,0,2]=4 86 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [0,1,0,0,0,0|1,0,2]=4 87 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [0,1,0,0,0,0|1,0,2]=4 88 B6R0.4 N#CNCC(=O)N 442d746faa83502c9ff2df116c7418f8 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 N#CNCC(=O)O 43756775e2c27a3310cd33c2c2160b96 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.4 NC(=O)CNC=O 69aa9557cbc9861258c5d0da5bd61a6e [0,1,0,0,0,0|2,0,0]=3 91 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,1,0,0,0,0|2,0,1]=4 92 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,1,0,0,0,0|2,0,1]=4 93 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,1,0,0,0,0|2,0,1]=4 94 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,1,0,0,0,0|2,0,1]=4 95 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.4 O=CNCC(F)F b205fb0d823ccdf5423d257101ba187a [0,1,0,0,0,0|2,0,1]=4 98 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [0,1,0,0,0,0|0,0,2]=3 99 B6R0.6 C#CCNCC=C 8a6691866f7ad7e25dfae0189494fb97 [0,1,0,0,0,0|1,0,1]=3 100 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,1,0,0,0,0|0,0,2]=3 101 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [0,1,0,0,0,0|1,0,1]=3 102 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [0,1,0,0,0,0|0,0,2]=3 103 B6R0.6 C/C=C/CNC#N fe5c02a50a49ed00bc3809aef9ddcb4b [0,1,0,0,0,0|2,0,1]=4 104 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,1,0,0,0,0|2,0,1]=4 105 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [0,1,0,0,0,0|2,0,1]=4 106 B6R0.6 C/C=C\CNC#N a10d427f3ef904bfd6ef220e239689b7 [0,1,0,0,0,0|2,0,1]=4 107 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [0,1,0,0,0,0|2,0,1]=4 109 B6R0.6 C=CCCNC#N 7f6209637e037705b943b176b9fa9994 [0,1,0,0,0,0|1,0,1]=3 110 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [0,1,0,0,0,0|0,0,0]=1 111 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,1,0,0,0,0|1,0,1]=3 112 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,1,0,0,0,0|1,0,1]=3 113 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,1,0,0,0,0|0,0,2]=3 114 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,1,0,0,0,0|1,0,1]=3 115 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,1,0,0,0,0|1,0,1]=3 116 B6R0.6 C=CCNCC#N e6dacd4b5043db0119c1a8003acadd33 [0,1,0,0,0,0|1,0,1]=3 117 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,1,0,0,0,0|1,0,1]=3 118 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,1,0,0,0,0|1,0,1]=3 119 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,1,0,0,0,0|1,0,1]=3 120 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,1,0,0,0,0|1,0,1]=3 121 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,1,0,0,0,0|0,0,2]=3 122 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,1,0,0,0,0|0,1,1]=3 123 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [0,1,0,0,0,0|1,0,1]=3 124 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,1,0,0,0,0|1,0,1]=3 126 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,1,0,0,0,0|0,1,1]=3 127 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,1,0,0,0,0|1,0,0]=2 129 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,1,0,0,0,0|2,0,1]=4 130 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [0,1,0,0,0,0|1,0,2]=4 132 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,1,0,0,0,0|2,0,1]=4 133 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [0,1,0,0,0,0|2,0,1]=4 134 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,1,0,0,0,0|0,0,2]=3 135 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,1,0,0,0,0|0,0,2]=3 136 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,1,0,0,0,0|0,0,2]=3 137 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,1,0,0,0,0|0,0,2]=3 140 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,1,0,0,0,0|1,0,1]=3 141 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,1,0,0,0,0|1,0,1]=3 142 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,1,0,0,0,0|1,0,1]=3 143 B6R0.6 FCOC/C=C/Cl b004e8b2046201bd100e010636144deb [0,1,0,0,0,0|2,0,1]=4 144 B6R0.6 FCOCC=CCl 73af65b88ff3f3e74144a7afcc6be997 [0,1,0,0,0,0|2,0,1]=4 145 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [0,1,0,0,0,0|1,0,1]=3 146 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,1,0,0,0,0|1,0,1]=3 147 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [0,1,0,0,0,0|1,0,1]=3 148 B6R0.6 N#CNC/C=C/Cl c77adefa0f2a0f087f644fa1044a51e5 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.6 N#CNC/C=C\Cl 574db99d8ebf974fe4a847ef3c5786e2 [0,1,0,0,0,0|2,0,1]=4 150 B6R0.6 N#CNC/C=C\O be0ccaefb08450487d7f81dae7d11cf0 [0,1,0,0,0,0|2,0,1]=4 151 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,1,0,0,0,0|1,0,1]=3 152 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [0,1,0,0,0,0|2,0,0]=3 153 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,1,0,0,0,0|1,0,1]=3 155 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,1,0,0,0,0|1,0,1]=3 156 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,1,0,0,0,0|1,0,1]=3 157 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,1,0,0,0,0|1,0,1]=3 158 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,1,0,0,0,0|1,0,1]=3 159 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,1,0,0,0,0|1,0,1]=3 160 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,1,0,0,0,0|1,0,1]=3 161 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,1,0,0,0,0|1,0,1]=3 162 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,1,0,0,0,0|1,0,1]=3 163 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [0,0,0,1,0,0|1,0,2]=4 164 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,0,0,1,0,0|1,0,2]=4 165 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,1,0,0,0,0|1,0,1]=4 166 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,2,0,0,0,0|1,0,0]=3 167 B7R0.2 CN(C=O)CC(=O)N 647b1daaec1cafb5c97dc5a4d13d2291 [0,2,0,0,0,0|2,0,0]=4 168 B7R0.3 C#CC(C)NCC=C 1f8d06b60835767f307f6d2a23b76cd8 [0,2,0,0,0,0|1,0,1]=4 169 B7R0.3 C#CC(C)NCC=O ee5942f89b23fd86f41ead0eb91f1f2e [0,2,0,0,0,0|0,0,2]=4 170 B7R0.3 C#CC(C)OCC=C 35c2ceb14425d29fdc0391a672c4f5e1 [0,2,0,0,0,0|1,0,1]=4 171 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [0,2,0,0,0,0|0,0,2]=4 172 B7R0.3 C#CCCN(C)C=O 125766f3203296343dccf9d807927bcd [0,2,0,0,0,0|0,0,2]=4 173 B7R0.3 C#CCNC(C)C=C d8b354c113299f6016f99071889ca40d [0,2,0,0,0,0|1,0,1]=4 174 B7R0.3 C#CCNC(C)C=O 8a80a6d3188851c8aa12e1e598927010 [0,2,0,0,0,0|0,0,2]=4 175 B7R0.3 C#CCN[C@H](C)C=O 8faab6e2c8060fcb11bf9cb31dde2a6b [0,2,0,0,0,0|0,0,2]=4 176 B7R0.3 C#CCOC(C)C=C e6ff6e85d796cdae2d545ee222db4a28 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [0,2,0,0,0,0|0,0,2]=4 178 B7R0.3 C#CCO[C@@H](C)C=C 48a89e2f373160fd6c17148e75feea17 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [0,2,0,0,0,0|0,0,2]=4 180 B7R0.3 C#C[C@@H](C)NCC=C 3d7d7fa18b34a1d7be247ce449d2a980 [0,2,0,0,0,0|1,0,1]=4 181 B7R0.3 C#C[C@@H](C)NCC=O 5e75d1c6c4c57369266bed642bd09c8c [0,2,0,0,0,0|0,0,2]=4 182 B7R0.3 C#C[C@@H](C)OCC=C 9616943c520fd58556348ca49fc2eb55 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.3 C#C[C@@H](C)OCC=O e5dc09536c65fde58fa0a450d6db7a37 [0,2,0,0,0,0|0,0,2]=4 184 B7R0.3 C#C[C@H](C)NCC=C 7a69466f827fed807007e686bf77abf8 [0,2,0,0,0,0|1,0,1]=4 185 B7R0.3 C#C[C@H](C)NCC=O a08e4dd67e9c6ea8e5647895c6d0c01d [0,2,0,0,0,0|0,0,2]=4 186 B7R0.3 C#C[C@H](C)OCC=C d42b9d87af2457408c59a2ed3eb69c8d [0,2,0,0,0,0|1,0,1]=4 187 B7R0.3 C#C[C@H](C)OCC=O 0416c8a6869357496f6fa27d6441617b [0,2,0,0,0,0|0,0,2]=4 188 B7R0.3 C=C(C=O)OCC=O d72a2d0abab614f8d0895b26ef9c5aa1 [0,2,0,0,0,0|1,0,0]=3 189 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,2,0,0,0,0|1,0,1]=4 190 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.3 C=CC(C)NCC#N 1b5b3f0a2e623d05694422618a44cc9e [0,2,0,0,0,0|1,0,1]=4 192 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,2,0,0,0,0|0,0,0]=2 193 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,2,0,0,0,0|1,0,1]=4 194 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,2,0,0,0,0|1,0,1]=4 197 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,2,0,0,0,0|0,0,2]=4 198 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,2,0,0,0,0|0,1,1]=4 199 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,2,0,0,0,0|2,0,0]=4 200 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.3 C=CC(C)OCC#N 87e0eff24f93b5f1a0aea138d5825835 [0,2,0,0,0,0|1,0,1]=4 202 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,2,0,0,0,0|0,0,0]=2 203 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,2,0,0,0,0|1,0,1]=4 204 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,2,0,0,0,0|1,0,1]=4 205 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,2,0,0,0,0|0,1,1]=4 206 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,2,0,0,0,0|2,0,0]=4 207 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,2,0,0,0,0|2,0,0]=4 208 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [0,2,0,0,0,0|0,0,0]=2 209 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,2,0,0,0,0|1,0,1]=4 210 B7R0.3 C=CC(O)CNCF 45fea0cdfc9533f811af25c5a7464b1f [0,2,0,0,0,0|1,0,1]=4 211 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,2,0,0,0,0|0,0,2]=4 212 B7R0.3 C=CCCN(C)C=O adf6557a42cae72b9ac47eaa39c6c3f7 [0,2,0,0,0,0|0,0,0]=2 213 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,2,0,0,0,0|1,0,1]=4 214 B7R0.3 C=CCCN(C)CF 5463399a5f95f1fae09b7b6e3e379754 [0,2,0,0,0,0|1,0,1]=4 215 B7R0.3 C=CCCN(C)CO 579b9235661212985211ec5a8a4dba41 [0,2,0,0,0,0|0,0,2]=4 216 B7R0.3 C=CCNC(C)C#N e1736195cfd57e58921f3c42ad258ec8 [0,2,0,0,0,0|1,0,1]=4 217 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,2,0,0,0,0|1,0,1]=4 219 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,2,0,0,0,0|0,0,2]=4 220 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,2,0,0,0,0|0,0,2]=4 222 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,2,0,0,0,0|1,0,1]=4 223 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,2,0,0,0,0|0,0,2]=4 224 B7R0.3 C=CCOC(=C)C=O e6886899fd17c4b0e35e10fadb840144 [0,2,0,0,0,0|0,0,1]=3 225 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,2,0,0,0,0|1,0,0]=3 226 B7R0.3 C=CCOC(C)C=O 6657ba082e9c102df1bd1e051b83669e [0,2,0,0,0,0|0,0,0]=2 227 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [0,2,0,0,0,0|0,1,1]=4 230 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,2,0,0,0,0|1,0,1]=4 233 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [0,2,0,0,0,0|0,1,1]=4 234 B7R0.3 C=C[C@H](C)OCC#N 87ed494e61b6a628355bc93049d8b261 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,2,0,0,0,0|0,0,0]=2 236 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,2,0,0,0,0|1,0,1]=4 237 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,2,0,0,0,0|0,1,1]=4 239 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,2,0,0,0,0|2,0,0]=4 240 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,2,0,0,0,0|2,0,0]=4 241 B7R0.3 CC(C#N)NCC=O 69c055aa64463f8147e8c2a5cf4caa1a [0,2,0,0,0,0|1,0,1]=4 242 B7R0.3 CC(C=O)NCC#N 127301cbe7cdf76d3d0981fbc706d46e [0,2,0,0,0,0|1,0,1]=4 243 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,2,0,0,0,0|1,0,1]=4 244 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,2,0,0,0,0|1,0,1]=4 245 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,2,0,0,0,0|1,0,1]=4 246 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,2,0,0,0,0|1,0,1]=4 247 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|1,0,1]=4 252 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,2,0,0,0,0|1,0,1]=4 254 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,2,0,0,0,0|1,0,1]=4 255 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,2,0,0,0,0|1,0,1]=4 256 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,2,0,0,0,0|0,0,2]=4 257 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,2,0,0,0,0|0,0,2]=4 258 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,2,0,0,0,0|0,0,2]=4 259 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,2,0,0,0,0|0,0,2]=4 260 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,2,0,0,0,0|0,0,2]=4 261 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,2,0,0,0,0|0,0,2]=4 262 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,2,0,0,0,0|0,0,2]=4 263 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,2,0,0,0,0|0,0,2]=4 264 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,2,0,0,0,0|0,0,2]=4 265 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,2,0,0,0,0|0,0,2]=4 266 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,2,0,0,0,0|0,0,2]=4 267 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,2,0,0,0,0|0,0,2]=4 268 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,2,0,0,0,0|0,0,2]=4 269 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,2,0,0,0,0|0,0,2]=4 270 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,2,0,0,0,0|0,0,2]=4 271 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,2,0,0,0,0|0,0,2]=4 272 B7R0.3 CN(C=O)CCC#N c9fb209356e5efd88139356a9a10ffcc [0,2,0,0,0,0|1,0,1]=4 273 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,2,0,0,0,0|1,0,1]=4 274 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.3 CNC(=O)CNC=O c5a039538783b02b98603872d662eafb [0,2,0,0,0,0|1,0,1]=4 276 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [0,2,0,0,0,0|1,0,1]=4 277 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,2,0,0,0,0|1,0,1]=4 279 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,2,0,0,0,0|1,0,1]=4 280 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,2,0,0,0,0|1,0,1]=4 281 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,2,0,0,0,0|1,0,1]=4 284 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.3 C[C@H](C=O)NCC#N 9b1d30d7284bc89f6f0ba6960b607cac [0,2,0,0,0,0|1,0,1]=4 286 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,2,0,0,0,0|1,0,1]=4 288 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,2,0,0,0,0|1,0,1]=4 289 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,2,0,0,0,0|1,0,1]=4 290 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|1,0,1]=4 291 B7R0.3 C[C@H](C=O)OCC#N a51c72275e2be0c3e4b80eaa109e7244 [0,2,0,0,0,0|1,0,1]=4 292 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,2,0,0,0,0|1,0,1]=4 293 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,2,0,0,0,0|1,0,1]=4 296 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.3 O=CNCC(=O)NO 2a6f44f0a455b32a62c0f05c89977d8b [0,2,0,0,0,0|2,0,0]=4 298 B7R0.3 O=CNCC(Br)CBr 93597cc22f25c51d1dc8b5845ef56682 [0,2,0,0,0,0|1,0,1]=4 299 B7R0.3 O=CNCC(F)CO 20b10b91868850c2fa4696a502438329 [0,2,0,0,0,0|1,0,1]=4 300 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,2,0,0,0,0|1,0,1]=4 301 B7R0.3 O=CNC[C@@H](F)CO fe3e6de1ebe35bf08c36352dbce26e10 [0,2,0,0,0,0|1,0,1]=4 302 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,2,0,0,0,0|1,0,1]=4 303 B7R0.3 O=CNC[C@H](F)CO 22ed73e19a0bc3d8fec3d0ab621da9c9 [0,2,0,0,0,0|1,0,1]=4 304 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,2,0,0,0,0|1,0,1]=4 305 B7R0.5 C=CCN(C)C(=O)C 77714e98bf9639848b13a6be6674f5f4 [0,2,0,0,0,0|1,0,0]=3 306 B7R0.5 CC(NC=O)C(=O)N 46e3df0da90011f803541e030709e2d3 [0,2,0,0,0,0|2,0,0]=4 307 B7R0.5 C[C@@H](NC=O)C(=O)N b3f27251f3a1b388bbd3114e372f5d22 [0,2,0,0,0,0|2,0,0]=4 308 B7R0.5 C[C@H](NC=O)C(=O)N 16bf5f670688c6b3e99af2484506540e [0,2,0,0,0,0|2,0,0]=4 309 B7R0.7 C#CCN(C)CC=C be521eaf5f24e4adc28e6c49460b9596 [0,2,0,0,0,0|1,0,1]=4 310 B7R0.7 C#CCN(C)CC=O dff01d702c39ab67a4f96703b4d65557 [0,2,0,0,0,0|0,0,2]=4 311 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|1,0,1]=4 312 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,2,0,0,0,0|1,0,1]=4 313 B7R0.7 C=CCN(C)CC#N c72944ca0c5cf2d5f3d020e7a88aca2b [0,2,0,0,0,0|1,0,1]=4 314 B7R0.7 C=CCN(C)CC=C 856b0b2931bf1f2cca7f9613f6a91787 [0,2,0,0,0,0|1,0,0]=3 315 B7R0.7 C=CCN(C)CC=O 0a0a0470779380dc482d888ec7270821 [0,2,0,0,0,0|0,0,0]=2 316 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [0,2,0,0,0,0|1,0,1]=4 318 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,2,0,0,0,0|0,0,2]=4 319 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [0,2,0,0,0,0|0,1,1]=4 320 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [0,2,0,0,0,0|2,0,0]=4 321 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,2,0,0,0,0|2,0,0]=4 322 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|1,0,1]=4 323 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,2,0,0,0,0|1,0,1]=4 324 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|1,0,1]=4 325 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,2,0,0,0,0|1,0,1]=4 326 B7R0.7 CC(CC#N)NC=O dfc1f8290024fbf8549fe517f54abe5f [0,2,0,0,0,0|1,0,1]=4 327 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,2,0,0,0,0|1,0,1]=4 328 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,2,0,0,0,0|0,0,2]=4 329 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,2,0,0,0,0|0,0,2]=4 330 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,2,0,0,0,0|0,0,2]=4 331 B7R0.7 CN(CC#N)CC=O 12ba89d8d84c8f98fbf202698aed3177 [0,2,0,0,0,0|1,0,1]=4 332 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [0,2,0,0,0,0|1,0,1]=4 333 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,2,0,0,0,0|1,0,1]=4 334 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,2,0,0,0,0|1,0,1]=4 335 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,2,0,0,0,0|1,0,1]=4 336 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,2,0,0,0,0|1,0,1]=4 337 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,2,0,0,0,0|1,0,1]=4 338 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,2,0,0,0,0|1,0,1]=4 339 B7R0.12 C=CCN(C#N)C=O d2a728e2ecf4e2747f80bb63ec427320 [0,2,0,0,0,0|1,0,0]=3 340 B7R0.12 C=C[C@@H](CO)NC=O 5d09ef4825c604a2efc4917c4ac324ba [0,2,0,0,0,0|1,0,0]=3 341 B7R0.4 C#CCCNC(=O)C e103f6c630df1c8bc942f7cd96221f16 [0,2,0,0,0,0|0,0,2]=4 342 B7R0.4 C#CCNCC(=C)Br 879ee905cefc83ecf26c2d948f2029d6 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.4 C#CCNCC(=C)C eb0c35234badabfcd3c166c71613f230 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.4 C#CCNCC(=C)Cl 1d930893649e85a74ce45be85564686e [0,2,0,0,0,0|1,0,1]=4 345 B7R0.4 C#CCNCC(=C)F a0e9b4b0266cfd2394763400bc8e4909 [0,2,0,0,0,0|1,0,1]=4 346 B7R0.4 C#CCNCC(=O)C 5de972c5592516dd50641220afa1c072 [0,2,0,0,0,0|0,0,2]=4 347 B7R0.4 C#CCNCC(=O)N 192103ba8fad459d76fc07062abce874 [0,2,0,0,0,0|0,0,2]=4 348 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [0,2,0,0,0,0|0,0,2]=4 349 B7R0.4 C#CCOCC(=C)Br 9b796db1fa70b649e0b4bfefc4a5866c [0,2,0,0,0,0|1,0,1]=4 350 B7R0.4 C#CCOCC(=C)C 0bc01d270f03a65c7ca43642aedfcda7 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.4 C#CCOCC(=C)Cl 3ed475d974d32fc201692f1b180e2b7c [0,2,0,0,0,0|1,0,1]=4 352 B7R0.4 C#CCOCC(=C)F a6d1a44fc1ddb3d296c5d652ac94d936 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.4 C#CCOCC(=C)I 58e7f935501c0db3184bf68f72d8872a [0,2,0,0,0,0|1,0,1]=4 354 B7R0.4 C#CCOCC(=O)C a3c93320b56e3e358d63fbc9e6735009 [0,2,0,0,0,0|0,0,2]=4 355 B7R0.4 C#CCOCC(=O)N f47bf366ca2d3d6c4b78dcc521793da1 [0,2,0,0,0,0|0,0,2]=4 356 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [0,2,0,0,0,0|0,0,2]=4 357 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,2,0,0,0,0|1,0,1]=4 358 B7R0.4 C=C(Br)CCOCF ea4ba58a0dda0d4ff610398e2a49e354 [0,2,0,0,0,0|1,0,1]=4 359 B7R0.4 C=C(Br)CNCC#N ad65d74b8778dde37f6a2b759b49baa4 [0,2,0,0,0,0|1,0,1]=4 360 B7R0.4 C=C(Br)CNCC=O e2d5057e5415c014e4eba7dcda8d7077 [0,2,0,0,0,0|0,0,0]=2 361 B7R0.4 C=C(Br)CNCCBr a2af0ee62ca630ae997fcbeaeff3ecd2 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.4 C=C(Br)CNCCF bdffe3c671a0357e35ee82ddc2a4b0c6 [0,2,0,0,0,0|1,0,1]=4 364 B7R0.4 C=C(Br)CNCCI 4f584c60421c6beb30ceb5a392863e01 [0,2,0,0,0,0|1,0,1]=4 365 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [0,2,0,0,0,0|0,0,2]=4 366 B7R0.4 C=C(Br)CNCCS dca08c6fd8d32a0e9dbeabff228c3836 [0,2,0,0,0,0|0,1,1]=4 367 B7R0.4 C=C(Br)CNCOC c5da0ade2f26605ee229f8e69e435818 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.4 C=C(Br)CNCSC 8a13c2330490e029e1472b0879913501 [0,2,0,0,0,0|2,0,0]=4 369 B7R0.4 C=C(Br)COCC#N 3ecb13f57cf9946fdc58c55b89c4c172 [0,2,0,0,0,0|1,0,1]=4 370 B7R0.4 C=C(Br)COCC=O 932c0edd4ecfcd86b1a7540357a0c61e [0,2,0,0,0,0|0,0,0]=2 371 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,2,0,0,0,0|1,0,1]=4 372 B7R0.4 C=C(Br)COCCF cd028c386ab5c9854ed6d44716188962 [0,2,0,0,0,0|1,0,1]=4 373 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [0,2,0,0,0,0|0,1,1]=4 374 B7R0.4 C=C(Br)COCOC 07b1b57eb717a0955e8242d74555e9c9 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.4 C=C(Br)COCSC 1fb9c4d52ec09b3be6dd4d44e06087d7 [0,2,0,0,0,0|2,0,0]=4 376 B7R0.4 C=C(C)CCNC#N 91c6e1f8d173a3f2de73326c577834f4 [0,2,0,0,0,0|1,0,1]=4 377 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [0,2,0,0,0,0|0,0,0]=2 378 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,2,0,0,0,0|1,0,1]=4 379 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,2,0,0,0,0|1,0,1]=4 380 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,2,0,0,0,0|0,0,2]=4 381 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,2,0,0,0,0|1,0,1]=4 382 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,2,0,0,0,0|1,0,1]=4 383 B7R0.4 C=C(C)CNCC#N 76a6ad7e00f4e270a79d1117e4c441a4 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [0,2,0,0,0,0|0,0,0]=2 385 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,2,0,0,0,0|1,0,1]=4 387 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,2,0,0,0,0|1,0,1]=4 388 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,2,0,0,0,0|0,0,2]=4 390 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,2,0,0,0,0|0,1,1]=4 391 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,2,0,0,0,0|2,0,0]=4 392 B7R0.4 C=C(C)CNCSC 16720dfae312e14188787cb1eaf510d4 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.4 C=C(C)COCC#N 003a80dc4db062561188210b3f291dbe [0,2,0,0,0,0|1,0,1]=4 394 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,2,0,0,0,0|0,0,0]=2 395 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,2,0,0,0,0|1,0,1]=4 396 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,2,0,0,0,0|1,0,1]=4 397 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,2,0,0,0,0|0,1,1]=4 398 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,2,0,0,0,0|2,0,0]=4 399 B7R0.4 C=C(C)COCSC 57a3672b412662e92be8fefea10a5b74 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.4 C=C(Cl)CNCC#N ec841c59df3811d92fe746c169c50628 [0,2,0,0,0,0|1,0,1]=4 401 B7R0.4 C=C(Cl)CNCCBr 4c903b5932a03e4f5653cd57667fc373 [0,2,0,0,0,0|1,0,1]=4 402 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,2,0,0,0,0|1,0,1]=4 403 B7R0.4 C=C(Cl)CNCCF d37e8a2e77cb5d4ae23c734a326ed96f [0,2,0,0,0,0|1,0,1]=4 404 B7R0.4 C=C(Cl)CNCCI 9ea850a83a4ec71e5e79dc8899c3ed82 [0,2,0,0,0,0|1,0,1]=4 405 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [0,2,0,0,0,0|0,0,2]=4 406 B7R0.4 C=C(Cl)CNCCS c3d4b5e9deb92301fa96d0a10ab7e0a9 [0,2,0,0,0,0|0,1,1]=4 407 B7R0.4 C=C(Cl)COCC#N 671cbc2eb50b0e488396555c78e12d87 [0,2,0,0,0,0|1,0,1]=4 408 B7R0.4 C=C(Cl)COCC=O a46b3c2e85fcf61c0da6edc2f5657d08 [0,2,0,0,0,0|0,0,0]=2 409 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.4 C=C(Cl)COCCF bfeec13c0fc32fddad28bd44930cedd4 [0,2,0,0,0,0|1,0,1]=4 411 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [0,2,0,0,0,0|0,1,1]=4 412 B7R0.4 C=C(Cl)COCOC e9c971b961a0dc4c5fdf312f58d6132b [0,2,0,0,0,0|2,0,0]=4 413 B7R0.4 C=C(Cl)COCSC f2ac685eefd0e0729fecd3be397ecd57 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.4 C=C(F)CNCC#N a8e1fecdcf8af2309392f1c203f0d763 [0,2,0,0,0,0|1,0,1]=4 415 B7R0.4 C=C(F)CNCCBr a95231baef5e5cc0c38c7177c04d4cb2 [0,2,0,0,0,0|1,0,1]=4 416 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,2,0,0,0,0|1,0,1]=4 417 B7R0.4 C=C(F)CNCCF 3c9599d455fab8f8b1b7798a035b518b [0,2,0,0,0,0|1,0,1]=4 418 B7R0.4 C=C(F)CNCCI 3acf03f3fc80bbf3bcc0b632080eb4d2 [0,2,0,0,0,0|1,0,1]=4 419 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [0,2,0,0,0,0|0,0,2]=4 420 B7R0.4 C=C(F)CNCCS 93ef00bb86767141facd92bc2b3d3770 [0,2,0,0,0,0|0,1,1]=4 421 B7R0.4 C=C(F)COCC#N 8ebda376ecf5e1140cd67ccb48871793 [0,2,0,0,0,0|1,0,1]=4 422 B7R0.4 C=C(F)COCC=O 991067569a0b8c59acfbfec7abe6c1dd [0,2,0,0,0,0|0,0,0]=2 423 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,2,0,0,0,0|1,0,1]=4 424 B7R0.4 C=C(F)COCCF b7eb1549e162ff12acf84ad5b4d7b85c [0,2,0,0,0,0|1,0,1]=4 425 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [0,2,0,0,0,0|0,1,1]=4 426 B7R0.4 C=C(F)COCOC 22d1787a226644b1c135149de6654075 [0,2,0,0,0,0|2,0,0]=4 427 B7R0.4 C=C(F)COCSC 6bbf4e89090e6cc7310e72037a53b255 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.4 C=C(I)COCC#N 0b67cc61beaf3099f125e8057ecd2d39 [0,2,0,0,0,0|1,0,1]=4 429 B7R0.4 C=C(I)COCC=O 9efc69fa4611219ea35bee8334c7e9a5 [0,2,0,0,0,0|0,0,0]=2 430 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,2,0,0,0,0|1,0,1]=4 431 B7R0.4 C=C(I)COCCF a7f60a4ec955fff2b06cd1137598c7d9 [0,2,0,0,0,0|1,0,1]=4 432 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [0,2,0,0,0,0|0,1,1]=4 433 B7R0.4 C=C(I)COCOC ab47bd677ec4bd30c526b4cd90bad9b3 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.4 C=C(I)COCSC 906afa6cb0cbbbf887a55678cd7cf860 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,2,0,0,0,0|0,0,0]=2 436 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [0,2,0,0,0,0|1,0,1]=4 437 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,2,0,0,0,0|1,0,1]=4 438 B7R0.4 C=CCNCC(=C)Br f343d521e7b4355a1ef62e6ad9e157ca [0,2,0,0,0,0|1,0,0]=3 439 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [0,2,0,0,0,0|1,0,0]=3 440 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,2,0,0,0,0|0,0,0]=2 441 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,2,0,0,0,0|0,0,0]=2 442 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,2,0,0,0,0|0,0,0]=2 443 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [0,2,0,0,0,0|1,0,1]=4 444 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [0,2,0,0,0,0|0,0,2]=4 445 B7R0.4 C=CCNCC(F)F 1d072db205b9140c91fec3489087820a [0,2,0,0,0,0|1,0,1]=4 446 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [0,2,0,0,0,0|0,0,2]=4 447 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [0,2,0,0,0,0|0,0,2]=4 448 B7R0.4 C=CCOCC(=C)Br e62764a0c5e3910f5aa74605955cfa17 [0,2,0,0,0,0|1,0,0]=3 449 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,2,0,0,0,0|1,0,0]=3 450 B7R0.4 C=CCOCC(=C)Cl 9a7af04c1473e057367697315b870403 [0,2,0,0,0,0|1,0,0]=3 451 B7R0.4 C=CCOCC(=C)F 1ddb253cc8cf7e632d103ee542ee3627 [0,2,0,0,0,0|1,0,0]=3 452 B7R0.4 C=CCOCC(=C)I eb0cf4905c380d4757f5c7d2e0fb60fd [0,2,0,0,0,0|1,0,0]=3 453 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,2,0,0,0,0|0,0,0]=2 454 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,2,0,0,0,0|0,0,0]=2 455 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,2,0,0,0,0|0,0,0]=2 456 B7R0.4 C=CCOCC(=S)N ba93fb83f0b460be9ef282d71d1dd1c9 [0,2,0,0,0,0|0,1,0]=3 457 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [0,2,0,0,0,0|1,0,1]=4 458 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [0,2,0,0,0,0|1,0,1]=4 459 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [0,2,0,0,0,0|0,1,1]=4 460 B7R0.4 C=CCOCC(F)F 01b8c5b05604a143ffc0985187ff216a [0,2,0,0,0,0|1,0,1]=4 461 B7R0.4 C=CCOCS(=O)O a1ef4061d59bf78682bff1f70f194383 [0,2,0,0,0,0|1,0,0]=3 462 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [0,2,0,0,0,0|1,0,1]=4 463 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [0,2,0,0,0,0|1,0,1]=4 464 B7R0.4 CC(=CCNC=O)C aa6f8132c2b4d81390aba70f51f750c7 [0,2,0,0,0,0|1,0,0]=3 465 B7R0.4 CC(=O)CCNC#N 4c80be72e90144dac156b66101e47221 [0,2,0,0,0,0|1,0,1]=4 466 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,2,0,0,0,0|1,0,1]=4 467 B7R0.4 CC(=O)CNCC#N 3143039d9319d06def2c85775b65f22b [0,2,0,0,0,0|1,0,1]=4 468 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,2,0,0,0,0|0,0,1]=3 469 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,2,0,0,0,0|1,0,1]=4 470 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,2,0,0,0,0|1,0,1]=4 471 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,2,0,0,0,0|1,0,1]=4 472 B7R0.4 CC(=O)COCC#N f6d942d7fed48c56b84b1cfe40ac78c5 [0,2,0,0,0,0|1,0,1]=4 473 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,2,0,0,0,0|0,0,1]=3 474 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,2,0,0,0,0|1,0,1]=4 475 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,2,0,0,0,0|1,0,1]=4 476 B7R0.4 CC(=O)NCCC#N e30d62b714eb5f35b52a5a0ddd2a52a2 [0,2,0,0,0,0|1,0,1]=4 477 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,2,0,0,0,0|1,0,1]=4 478 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,2,0,0,0,0|1,0,1]=4 479 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,2,0,0,0,0|2,0,0]=4 480 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [0,2,0,0,0,0|0,0,2]=4 481 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,2,0,0,0,0|0,0,2]=4 482 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [0,2,0,0,0,0|0,0,2]=4 483 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,2,0,0,0,0|0,0,2]=4 484 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [0,2,0,0,0,0|0,0,2]=4 485 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,2,0,0,0,0|0,0,2]=4 486 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,2,0,0,0,0|0,0,2]=4 487 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [0,2,0,0,0,0|0,0,2]=4 488 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,2,0,0,0,0|1,0,0]=3 489 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,2,0,0,0,0|0,0,2]=4 490 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,2,0,0,0,0|0,0,2]=4 491 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,2,0,0,0,0|0,0,2]=4 492 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,2,0,0,0,0|0,0,2]=4 493 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,2,0,0,0,0|0,0,2]=4 494 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,2,0,0,0,0|0,0,2]=4 495 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,2,0,0,0,0|0,0,2]=4 496 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,2,0,0,0,0|0,0,2]=4 497 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,2,0,0,0,0|0,0,2]=4 498 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,2,0,0,0,0|0,0,2]=4 499 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,2,0,0,0,0|0,0,2]=4 500 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,2,0,0,0,0|0,0,2]=4 501 B7R0.4 CN(C)CCNC=O f6c5ad5f38b9716c3e69f7010da88e20 [0,2,0,0,0,0|1,0,1]=4 502 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,2,0,0,0,0|1,0,1]=4 503 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,2,0,0,0,0|1,0,1]=4 504 B7R0.4 COCNCC(=O)N 5eb60c0a5f3dc108975679a2e84d9e64 [0,2,0,0,0,0|1,0,1]=4 505 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,2,0,0,0,0|1,0,1]=4 506 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,2,0,0,0,0|1,0,1]=4 507 B7R0.4 COCOCC(=O)N a86a9c95c6a98739f4d98d0cd39ad842 [0,2,0,0,0,0|1,0,1]=4 508 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,2,0,0,0,0|1,0,1]=4 509 B7R0.4 CS(=O)CCNC=O 16cc205a7133a7d223ff6dc33bd772e5 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,2,0,0,0,0|1,0,1]=4 511 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,2,0,0,0,0|1,0,1]=4 512 B7R0.4 CSCNCC(=O)N 25bde4292d4cdcaec203d3d8eb65b798 [0,2,0,0,0,0|1,0,1]=4 513 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,2,0,0,0,0|1,0,1]=4 515 B7R0.4 CSCOCC(=O)N 26834a3c15e8ab4b1f28f8e0ba47eea5 [0,2,0,0,0,0|1,0,1]=4 516 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [0,2,0,0,0,0|1,0,1]=4 517 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [0,2,0,0,0,0|0,0,2]=4 518 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,2,0,0,0,0|0,0,2]=4 519 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,2,0,0,0,0|0,0,2]=4 520 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [0,2,0,0,0,0|0,0,2]=4 521 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,2,0,0,0,0|0,0,2]=4 522 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,2,0,0,0,0|0,0,2]=4 523 B7R0.4 N#CCNCC(=O)N 1b074661588ba0117e64361bcac47550 [0,2,0,0,0,0|1,0,1]=4 524 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [0,2,0,0,0,0|1,0,1]=4 525 B7R0.4 N#CCOCC(=O)N 063b71e1d1d2f59285f81ab951f41740 [0,2,0,0,0,0|1,0,1]=4 526 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [0,2,0,0,0,0|1,0,1]=4 527 B7R0.4 N#CNCCC(=O)N 8dd90bc67de63e662194ecc9ed95a453 [0,2,0,0,0,0|1,0,1]=4 528 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [0,2,0,0,0,0|1,0,1]=4 529 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,2,0,0,0,0|1,0,0]=3 530 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,2,0,0,0,0|1,0,1]=4 532 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,2,0,0,0,0|1,0,1]=4 533 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,2,0,0,0,0|1,0,0]=3 534 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,2,0,0,0,0|1,0,1]=4 535 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,2,0,0,0,0|1,0,1]=4 536 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,2,0,0,0,0|1,0,1]=4 537 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,2,0,0,0,0|1,0,1]=4 538 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,2,0,0,0,0|1,0,1]=4 539 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,2,0,0,0,0|1,0,1]=4 541 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,2,0,0,0,0|1,0,1]=4 542 B7R0.4 NC(=S)CCNC=O f6a23fd7dc0dc512f1366bbdac8ed6be [0,2,0,0,0,0|1,0,0]=3 543 B7R0.4 NC(=S)COCC=O df3e15a9d363d0003727879f2aca7634 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,2,0,0,0,0|1,0,1]=4 545 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,2,0,0,0,0|1,0,1]=4 546 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,2,0,0,0,0|1,0,1]=4 547 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,2,0,0,0,0|1,0,1]=4 548 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,2,0,0,0,0|1,0,1]=4 549 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,2,0,0,0,0|1,0,1]=4 550 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,2,0,0,0,0|1,0,1]=4 552 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,2,0,0,0,0|1,0,1]=4 553 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,2,0,0,0,0|1,0,1]=4 554 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,2,0,0,0,0|1,0,0]=3 555 B7R0.4 O=CCNCC(F)F 824b7b6840181b3cfa0b763b1d812fba [0,2,0,0,0,0|1,0,1]=4 556 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,2,0,0,0,0|1,0,0]=3 557 B7R0.4 O=CCOCC(F)F e1093cd74239d1a778019e251c691d5f [0,2,0,0,0,0|1,0,1]=4 558 B7R0.4 O=CCOCS(=O)O 141d1f578b26500f644754e34ae7763f [0,2,0,0,0,0|2,0,0]=4 559 B7R0.4 O=CNCCC(F)F 877595b7c20a3f088e215ffd3de33ece [0,2,0,0,0,0|1,0,1]=4 560 B7R0.4 O=CNCCS(=O)O 70e230477665e9d8fed41cd897568279 [0,2,0,0,0,0|2,0,0]=4 561 B7R0.6 C=C(Br)CNC(=O)C c92ce6fe27dbf36b4b4cd43120064bb5 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.6 C=C(C)CNC(=O)C ba52d227895d114ee452b8b037813db9 [0,2,0,0,0,0|1,0,0]=3 563 B7R0.6 CC(=O)CNC(=O)C 982808bac236d2eb3e7a5c9783b91d18 [0,2,0,0,0,0|1,0,1]=4 564 B7R0.6 CC(=O)NCC(=O)N 92f9d7b7dd1ea6db16db7dd9d0e64155 [0,2,0,0,0,0|1,0,1]=4 565 B7R0.1 C#CCCCNC=O 5eda6030f597033b63ed4419962aef56 [0,2,0,0,0,0|0,0,2]=4 566 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [0,2,0,0,0,0|1,0,1]=4 567 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [0,2,0,0,0,0|0,0,2]=4 568 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,2,0,0,0,0|1,0,1]=4 569 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [0,2,0,0,0,0|0,0,2]=4 570 B7R0.1 C#CCNC/C=C/C 7a07259a7107926b3ae90111410492c6 [0,2,0,0,0,0|1,0,1]=4 571 B7R0.1 C#CCNC/C=C/Cl 5e5be1dc0dc9c80ac77f54e92f4b6f6a [0,2,0,0,0,0|1,0,1]=4 572 B7R0.1 C#CCNC/C=C\C 7c5a5a3d70e92cc3f4befbf4ed4f04ca [0,2,0,0,0,0|1,0,1]=4 573 B7R0.1 C#CCNC/C=C\Cl 890a0cf02f82fed719260aabaf7c28d4 [0,2,0,0,0,0|1,0,1]=4 574 B7R0.1 C#CCNC/C=C\O 23261137ac1aedbd5dc376cde1e9a9ce [0,2,0,0,0,0|1,0,1]=4 575 B7R0.1 C#CCNCC=CC 8bfd87db7c26e5b1309ecd16dc08884b [0,2,0,0,0,0|1,0,1]=4 576 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [0,2,0,0,0,0|1,0,1]=4 577 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,2,0,0,0,0|0,0,2]=4 578 B7R0.1 C#CCOC/C=C/C 7200b892bba9c502a0a85d28ce9c424e [0,2,0,0,0,0|1,0,1]=4 579 B7R0.1 C#CCOC/C=C/Cl bd7794105cb94db579dbee6eaacd7453 [0,2,0,0,0,0|1,0,1]=4 580 B7R0.1 C#CCOC/C=C\C ef405990619e0afa6534cd25691537da [0,2,0,0,0,0|1,0,1]=4 581 B7R0.1 C#CCOC/C=C\Cl ec8388d8665b952b9439aa03b86b45c6 [0,2,0,0,0,0|1,0,1]=4 582 B7R0.1 C#CCOCC=CC 6aaf6b26d1bab4b1b731fd1ee3eba79c [0,2,0,0,0,0|1,0,1]=4 583 B7R0.1 C#CCOCC=CCl 19ba33d07dd4c58506fd0cf55e707b60 [0,2,0,0,0,0|1,0,1]=4 584 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,2,0,0,0,0|1,0,1]=4 585 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,2,0,0,0,0|0,0,2]=4 586 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,2,0,0,0,0|1,0,1]=4 587 B7R0.1 C/C=C/CCOCF dc2f933f6966ba9a8287bfc7fc6ccc58 [0,2,0,0,0,0|1,0,1]=4 588 B7R0.1 C/C=C/CNCC#N f90057fb59a052a8fe59c14de3eb592a [0,2,0,0,0,0|1,0,1]=4 589 B7R0.1 C/C=C/CNCCBr 0973e2b64729bb539cd2e104815f0a1e [0,2,0,0,0,0|1,0,1]=4 590 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,2,0,0,0,0|1,0,1]=4 591 B7R0.1 C/C=C/CNCCF f085a093091954347c84796f9e590679 [0,2,0,0,0,0|1,0,1]=4 592 B7R0.1 C/C=C/CNCCI 6e2f39f1ea26ddc6f2e5f5437b7b5147 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.1 C/C=C/CNCCO 46233ffdd427019cbe6b11058a9a63af [0,2,0,0,0,0|0,0,2]=4 594 B7R0.1 C/C=C/CNCCS cbe1191a636e587cc6acf9b0c2835c4f [0,2,0,0,0,0|0,1,1]=4 595 B7R0.1 C/C=C/COCC#N aebb35d9e1715ad39becccbbd130b890 [0,2,0,0,0,0|1,0,1]=4 596 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,2,0,0,0,0|0,0,0]=2 597 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.1 C/C=C/COCCF 4b2fea3d3bd54b68f4375e4695e6fa90 [0,2,0,0,0,0|1,0,1]=4 599 B7R0.1 C/C=C/COCCS e5dfca0d8155eb1ed0c48c32f513b720 [0,2,0,0,0,0|0,1,1]=4 600 B7R0.1 C/C=C/COCOC b7aa287ac4d270e56f88a7dbfd017221 [0,2,0,0,0,0|2,0,0]=4 601 B7R0.1 C/C=C/COCSC 23688cc312d086b59922b656db80f73a [0,2,0,0,0,0|2,0,0]=4 602 B7R0.1 C/C=C\CNCC#N c371141b523fffaa00f341ceeb541384 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.1 C/C=C\CNCCBr 43447af300404a2f54008c49dfec8dc2 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,2,0,0,0,0|1,0,1]=4 605 B7R0.1 C/C=C\CNCCF 7ac625c3fe945e4d8cde9b24bc493aa5 [0,2,0,0,0,0|1,0,1]=4 606 B7R0.1 C/C=C\CNCCI c38330e1ccc4f355ab41780a7fe57a98 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.1 C/C=C\CNCCO e483151d6d53004ee90a0eb1d13c2feb [0,2,0,0,0,0|0,0,2]=4 608 B7R0.1 C/C=C\CNCCS ad4d662c019814c813c98720bb3b4190 [0,2,0,0,0,0|0,1,1]=4 609 B7R0.1 C/C=C\COCC#N e5abc9911258d0c833d5c139ce0e9a31 [0,2,0,0,0,0|1,0,1]=4 610 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,2,0,0,0,0|0,0,0]=2 611 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.1 C/C=C\COCCF 128772a29868b08ea3dcf97cf49d645d [0,2,0,0,0,0|1,0,1]=4 613 B7R0.1 C/C=C\COCCS 8f2d30d43e15992a1b800a97a4ffb44c [0,2,0,0,0,0|0,1,1]=4 614 B7R0.1 C/C=C\COCOC f1e6b73979912e238de1507a863f909f [0,2,0,0,0,0|2,0,0]=4 615 B7R0.1 C/C=C\COCSC 6a84996d8f92b35a4adb6e5d0a32a205 [0,2,0,0,0,0|2,0,0]=4 616 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [0,2,0,0,0,0|1,0,1]=4 617 B7R0.1 C=C=CCCOCF 73ed8bb3c12c52107642e3d2d32be010 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.1 C=CCCCNC#N 2caeec63334acbb1edf3ee2996a39bb2 [0,2,0,0,0,0|1,0,1]=4 619 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,2,0,0,0,0|0,0,0]=2 620 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,2,0,0,0,0|1,0,1]=4 621 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,2,0,0,0,0|1,0,1]=4 622 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,2,0,0,0,0|0,0,2]=4 623 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,2,0,0,0,0|0,0,2]=4 624 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,2,0,0,0,0|0,0,2]=4 625 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [0,2,0,0,0,0|1,0,1]=4 626 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [0,2,0,0,0,0|1,0,0]=3 627 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,2,0,0,0,0|0,0,0]=2 628 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,2,0,0,0,0|1,0,1]=4 629 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,2,0,0,0,0|1,0,1]=4 630 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,2,0,0,0,0|1,0,1]=4 631 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,2,0,0,0,0|1,0,1]=4 632 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,2,0,0,0,0|0,0,2]=4 633 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,2,0,0,0,0|0,1,1]=4 634 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,2,0,0,0,0|0,0,2]=4 635 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,2,0,0,0,0|0,1,1]=4 636 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,2,0,0,0,0|1,0,1]=4 637 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,2,0,0,0,0|1,0,0]=3 638 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,2,0,0,0,0|0,0,0]=2 639 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,2,0,0,0,0|1,0,1]=4 640 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,2,0,0,0,0|1,0,1]=4 641 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,2,0,0,0,0|0,1,1]=4 642 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,2,0,0,0,0|0,0,2]=4 643 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,2,0,0,0,0|0,1,1]=4 644 B7R0.1 C=CCNCC#CC 6c02e2f05d85401245227efb2b09dc93 [0,2,0,0,0,0|1,0,1]=4 645 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,2,0,0,0,0|1,0,0]=3 646 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [0,2,0,0,0,0|1,0,1]=4 647 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,2,0,0,0,0|1,0,1]=4 648 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,2,0,0,0,0|1,0,1]=4 649 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,2,0,0,0,0|0,0,2]=4 650 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,2,0,0,0,0|0,0,2]=4 651 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,2,0,0,0,0|0,0,2]=4 652 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,2,0,0,0,0|0,1,1]=4 653 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,2,0,0,0,0|1,0,0]=3 654 B7R0.1 C=CCOC/C=C/Cl 780a34b41257df1074acb78e79cbaf58 [0,2,0,0,0,0|1,0,0]=3 655 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,2,0,0,0,0|1,0,0]=3 656 B7R0.1 C=CCOCC#CC 4cc7727639fb0b04e42f95bf905e56dc [0,2,0,0,0,0|1,0,1]=4 657 B7R0.1 C=CCOCC#CI b2b08969bfb832da90edf2d5366eec7f [0,2,0,0,0,0|1,0,1]=4 658 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,2,0,0,0,0|1,0,0]=3 659 B7R0.1 C=CCOCC=CCl 3a1328d2f690c50bdbb50cf80b7063a0 [0,2,0,0,0,0|1,0,0]=3 660 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,2,0,0,0,0|1,0,1]=4 661 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,2,0,0,0,0|0,0,0]=2 662 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,2,0,0,0,0|1,0,1]=4 663 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,2,0,0,0,0|1,0,1]=4 664 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,2,0,0,0,0|0,1,1]=4 665 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,2,0,0,0,0|0,0,2]=4 666 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,2,0,0,0,0|0,1,1]=4 667 B7R0.1 C=COCCNC=O 7ffcb3447840a0b895742093e8d4046d [0,2,0,0,0,0|0,0,0]=2 668 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [0,2,0,0,0,0|1,0,1]=4 669 B7R0.1 C=COCCNCF 3ba58790b2f94dae0082c66f02d661b4 [0,2,0,0,0,0|1,0,1]=4 670 B7R0.1 C=COCCNCO 86b2fb60b2800713957c117bad818dd0 [0,2,0,0,0,0|0,0,2]=4 671 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [0,2,0,0,0,0|1,0,1]=4 672 B7R0.1 C=COCCOCF b7f6077cb09eeaf4f3fbc2b47e09278f [0,2,0,0,0,0|1,0,1]=4 673 B7R0.1 CC#CCNCC=O 3b9af0779acfe3ab0ba04aa531b5bc50 [0,2,0,0,0,0|0,0,2]=4 674 B7R0.1 CC#CCOCC=O 6443b8424b1ac8fb6cb8727e1a03de95 [0,2,0,0,0,0|0,0,2]=4 675 B7R0.1 CC=CCNCC#N 6d3898d306adad0c25f1d9023b09fac2 [0,2,0,0,0,0|1,0,1]=4 676 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,2,0,0,0,0|0,0,0]=2 677 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,2,0,0,0,0|1,0,1]=4 678 B7R0.1 CC=CCNCCF 88c3a17803925ef7e1d460e3befc957c [0,2,0,0,0,0|1,0,1]=4 679 B7R0.1 CC=CCNCCO 93f2efc2ffb774dced82bd601d90a1f7 [0,2,0,0,0,0|0,0,2]=4 680 B7R0.1 CC=CCNCCS 300a3760c2e53e00dc20e7259093b271 [0,2,0,0,0,0|0,1,1]=4 681 B7R0.1 CC=CCNCOC 73d7e5b400a3c19246130fd6dd29e005 [0,2,0,0,0,0|2,0,0]=4 682 B7R0.1 CC=CCNCSC c0519be36f252594cd855df57e94ba45 [0,2,0,0,0,0|2,0,0]=4 683 B7R0.1 CC=CCOCC#N c36b7236760a4c91ea49520f8b3c7479 [0,2,0,0,0,0|1,0,1]=4 684 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,2,0,0,0,0|0,0,0]=2 685 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,2,0,0,0,0|1,0,1]=4 686 B7R0.1 CC=CCOCCF 2b66b5c53271163b834e6079087c606a [0,2,0,0,0,0|1,0,1]=4 687 B7R0.1 CC=CCOCCS e0c9d5b393d675525a5f335999863b2e [0,2,0,0,0,0|0,1,1]=4 688 B7R0.1 CC=CCOCOC 0426696d1d7e8efb0c0f571dfad04218 [0,2,0,0,0,0|2,0,0]=4 689 B7R0.1 CC=CCOCSC de031ea42a610ae95f35742435b8d445 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,2,0,0,0,0|0,0,2]=4 691 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,2,0,0,0,0|0,0,2]=4 692 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,2,0,0,0,0|0,0,2]=4 693 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,2,0,0,0,0|1,0,1]=4 695 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,2,0,0,0,0|1,0,1]=4 696 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,2,0,0,0,0|0,0,2]=4 697 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,2,0,0,0,0|1,0,1]=4 698 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,2,0,0,0,0|1,0,1]=4 699 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,2,0,0,0,0|1,0,1]=4 700 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,2,0,0,0,0|0,0,2]=4 701 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,2,0,0,0,0|0,0,2]=4 702 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,2,0,0,0,0|0,0,2]=4 703 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,2,0,0,0,0|0,0,2]=4 704 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,2,0,0,0,0|0,0,2]=4 705 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,2,0,0,0,0|0,0,2]=4 706 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,2,0,0,0,0|0,0,2]=4 707 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,2,0,0,0,0|0,0,2]=4 708 B7R0.1 COCOC/C=C/Cl 994ae41b4f65c0a98c067e16a7bbebbc [0,2,0,0,0,0|2,0,0]=4 709 B7R0.1 COCOC/C=C\Cl a8345f466233c47094d9b334a81e738d [0,2,0,0,0,0|2,0,0]=4 710 B7R0.1 COCOCC=CCl 9a66c372107792a1368a8939a87e14d7 [0,2,0,0,0,0|2,0,0]=4 711 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,2,0,0,0,0|0,0,2]=4 712 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,2,0,0,0,0|0,0,2]=4 713 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,2,0,0,0,0|0,0,2]=4 714 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,2,0,0,0,0|0,0,2]=4 715 B7R0.1 CSCOC/C=C/Cl 3ee5a68441250b3cf5638326af863781 [0,2,0,0,0,0|2,0,0]=4 716 B7R0.1 CSCOCC=CCl 7cd648a824797190e57c5ab8fe47f14d [0,2,0,0,0,0|2,0,0]=4 717 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,2,0,0,0,0|0,0,2]=4 718 B7R0.1 Cl/C=C/CNCCBr a898c9c27585bc3f60539dac3c0676de [0,2,0,0,0,0|1,0,1]=4 719 B7R0.1 Cl/C=C/CNCCI 00a1dbdade9235bd22d961e7e472f561 [0,2,0,0,0,0|1,0,1]=4 720 B7R0.1 Cl/C=C\CNCCBr 5f9e738d1cd916d21483c573b3f77f77 [0,2,0,0,0,0|1,0,1]=4 721 B7R0.1 Cl/C=C\CNCCI e11b10ba04c65ae9ec95fcacb63f0157 [0,2,0,0,0,0|1,0,1]=4 722 B7R0.1 FCCNC/C=C/Cl b7b23ef958164209035bee1843d8e204 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.1 FCCNC/C=C\Cl 65ef3070ca813d4e1121d72cff14c99e [0,2,0,0,0,0|1,0,1]=4 724 B7R0.1 FCCOC/C=C/Cl dc97194a3b37f111390ae9c49092a7c4 [0,2,0,0,0,0|1,0,1]=4 725 B7R0.1 FCCOC/C=C\Cl 4bede6a33603c0090a93c5765bbe74a4 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.1 FCCOCC=CCl 92ca73e0aad22b80104a1e8aba43942a [0,2,0,0,0,0|1,0,1]=4 727 B7R0.1 N#CCCCNC=O 2ee9339659cd26f3551604e3c373e82a [0,2,0,0,0,0|0,0,2]=4 728 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [0,2,0,0,0,0|0,0,2]=4 729 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [0,2,0,0,0,0|0,0,2]=4 730 B7R0.1 N#CCNC/C=C/Cl 637308ed4993fd51f97b6fe547ec7790 [0,2,0,0,0,0|1,0,1]=4 731 B7R0.1 N#CCNC/C=C\Cl c4c8b2771f268a094a746ef8dfce7388 [0,2,0,0,0,0|1,0,1]=4 732 B7R0.1 N#CCNC/C=C\O 456e001429587e091dd97d7dd898cf04 [0,2,0,0,0,0|1,0,1]=4 733 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,2,0,0,0,0|0,0,2]=4 734 B7R0.1 N#CCOC/C=C/Cl f24526e63170de47d53fea1d3bf3ce2b [0,2,0,0,0,0|1,0,1]=4 735 B7R0.1 N#CCOC/C=C\Cl 61e38d4ef1a16fd88bfadba75ea7b209 [0,2,0,0,0,0|1,0,1]=4 736 B7R0.1 N#CCOCC=CCl 05b0d664abc7b395da0761ffa7a624e0 [0,2,0,0,0,0|1,0,1]=4 737 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,2,0,0,0,0|0,0,2]=4 738 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [0,2,0,0,0,0|0,0,2]=4 739 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,2,0,0,0,0|1,0,1]=4 740 B7R0.1 O/C=C\CNCCBr 78bf6909c3dee8af6d6cdaed4572acf8 [0,2,0,0,0,0|1,0,1]=4 741 B7R0.1 O/C=C\CNCCF 4dd7dedef3f23a2dff56fd2bf610c971 [0,2,0,0,0,0|1,0,1]=4 742 B7R0.1 O/C=C\CNCCI 45e0f365c7fdd440595555325ab875e7 [0,2,0,0,0,0|1,0,1]=4 743 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [0,2,0,0,0,0|0,0,2]=4 744 B7R0.1 O/C=C\CNCCS 85de73db1b0a9675523938141a7b3b56 [0,2,0,0,0,0|0,1,1]=4 745 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,2,0,0,0,0|0,0,2]=4 746 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,2,0,0,0,0|0,0,2]=4 747 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,2,0,0,0,0|0,0,2]=4 748 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,2,0,0,0,0|0,0,2]=4 749 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,2,0,0,0,0|0,0,2]=4 750 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,2,0,0,0,0|0,0,2]=4 751 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,2,0,0,0,0|0,0,1]=3 752 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,2,0,0,0,0|0,0,2]=4 753 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,2,0,0,0,0|0,0,2]=4 754 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,2,0,0,0,0|0,0,2]=4 755 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,2,0,0,0,0|0,0,2]=4 756 B7R0.1 O=CCOC/C=C/Cl cbcd43346ec6887de6b80889a96d13f3 [0,2,0,0,0,0|0,0,0]=2 757 B7R0.1 O=CCOCC#CI 93cf4705f161321abdff65ea9fb521f4 [0,2,0,0,0,0|0,0,2]=4 758 B7R0.1 O=CCOCC=CCl 5a42fc503acbf6c888269c65a98eaab1 [0,2,0,0,0,0|0,0,0]=2 759 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,2,0,0,0,0|0,0,2]=4 760 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,2,0,0,0,0|0,0,2]=4 761 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,2,0,0,0,0|0,0,2]=4 762 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,2,0,0,0,0|0,0,2]=4 763 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,2,0,0,0,0|0,0,2]=4 764 B7R0.1 O=CNCCOCF 8eb92d4268cefac9fa43b7283baf8468 [0,2,0,0,0,0|1,0,1]=4 765 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [0,2,0,0,0,0|1,0,1]=4 766 B7R0.1 OCCNC/C=C/Cl cae43086b9ac4b7eeca23dcc586cee54 [0,2,0,0,0,0|0,0,2]=4 767 B7R0.1 OCCNC/C=C\Cl f9fe1454ccf622f841e9c6f545c3d7f2 [0,2,0,0,0,0|0,0,2]=4 768 B7R0.1 SCCNC/C=C/Cl 58611a5a7bd77ac2c4a64663c742d1ef [0,2,0,0,0,0|0,1,1]=4 769 B7R0.1 SCCNC/C=C\Cl c85523c5f50163c82350c1ac2d0a1c6d [0,2,0,0,0,0|0,1,1]=4 770 B7R0.1 SCCOC/C=C/Cl 2290f8b86457030238798819e28c69e8 [0,2,0,0,0,0|0,1,1]=4 771 B7R0.1 SCCOC/C=C\Cl a4e7cdee69690eb63831ad52adb243f6 [0,2,0,0,0,0|0,1,1]=4 772 B7R0.1 SCCOCC=CCl 7bef249009c91ae7b2a1a8047a4ea984 [0,2,0,0,0,0|0,1,1]=4 773 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [0,1,0,1,0,0|1,0,0]=3 774 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,1,0,0|1,0,1]=4 775 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,1,0,1,0,0|0,0,2]=4 776 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,1,0,1,0,0|1,0,1]=4 777 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,1,0,1,0,0|0,0,2]=4 778 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [0,1,0,1,0,0|1,0,1]=4 779 B7R1.7 C=CCNC1CC1 3f9b6ba489361afb59ec73915e7e75b8 [0,1,0,1,0,0|1,0,1]=4 780 B7R1.7 C=CCOC1CC1 e9d2d1f50ca09419f38c26ddd9fe852c [0,1,0,1,0,0|1,0,1]=4 781 B7R1.7 O=CCNC1CC1 96e340af7b360f214201a5a3c0a006d0 [0,1,0,1,0,0|0,0,2]=4 782 B7R1.7 O=CCOC1CC1 147e3a4ed8a55c478f33e39a4b8c183b [0,1,0,1,0,0|0,0,2]=4 783 B7R1.7 O=CNCC1CC1 d46f669abbd5c66800b3b497373db92a [0,1,0,1,0,0|0,0,2]=4