0 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,1,0,0,0,0|1,0,2]=4 1 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,1,0,0,0,0|2,0,1]=4 2 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,1,0,0,0,0|2,0,1]=4 3 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,0,1,0,0,0|3,0,0]=4 4 B6R0.1 C=CC(=O)NC#N 50ba705a66c9756487ecf5ee06f1b175 [0,0,1,0,0,0|2,0,1]=4 5 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,0,1,0,0,0|2,0,1]=4 6 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,0,1,0,0,0|2,0,1]=4 7 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,0,1,0,0,0|2,0,1]=4 8 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [0,0,1,0,0,0|2,0,1]=4 9 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,0,1,0,0,0|3,0,0]=4 10 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,0,1,0,0,0|2,0,1]=4 11 B6R0.4 C=C(Br)CNCF 7c97187d15161b8d316e611ae308f21e [0,0,1,0,0,0|3,0,0]=4 12 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,0,1,0,0,0|3,0,0]=4 13 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,0,1,0,0,0|2,0,1]=4 14 B6R0.4 C=C(Br)COCF 692f2becec52dcdf557b19f93fe68748 [0,0,1,0,0,0|3,0,0]=4 15 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,0,1,0,0,0|2,0,1]=4 16 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,0,1,0,0,0|3,0,0]=4 17 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,0,1,0,0,0|3,0,0]=4 18 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,0,1,0,0,0|2,0,1]=4 19 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,0,1,0,0,0|3,0,0]=4 20 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,0,1,0,0,0|2,0,1]=4 21 B6R0.4 C=C(Cl)COCF ca79da42122b4115d17b6448109deb3c [0,0,1,0,0,0|3,0,0]=4 22 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,0,1,0,0,0|2,0,1]=4 23 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,0,1,0,0,0|2,0,1]=4 24 B6R0.4 C=C(I)COCF 7e74b05c12bc279148db4a6a8dd56e90 [0,0,1,0,0,0|3,0,0]=4 25 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,0,1,0,0,0|2,0,1]=4 26 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,0,1,0,0,0|2,0,1]=4 27 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,0,1,0,0,0|2,0,1]=4 28 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,0,1,0,0,0|2,0,1]=4 29 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,0,1,0,0,0|2,0,1]=4 30 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,0,1,0,0,0|2,0,1]=4 31 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,0,1,0,0,0|2,0,1]=4 32 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,0,1,0,0,0|2,0,1]=4 33 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,0,1,0,0,0|1,0,1]=3 34 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,0,1,0,0,0|1,0,1]=3 35 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,0,1,0,0,0|2,0,1]=4 36 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,0,1,0,0,0|2,0,1]=4 37 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,0,1,0,0,0|1,0,1]=3 38 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,0,1,0,0,0|2,0,1]=4 39 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,0,1,0,0,0|2,0,1]=4 40 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,0,1,0,0,0|3,0,0]=4 41 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,0,1,0,0,0|3,0,0]=4 42 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,0,1,0,0,0|3,0,0]=4 43 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,0,1,0,0,0|3,0,0]=4 44 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,0,1,0,0,0|3,0,0]=4 45 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,0,1,0,0,0|3,0,0]=4 46 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [0,0,1,0,0,0|1,0,2]=4 47 B6R0.6 C#CCNCC=C 8a6691866f7ad7e25dfae0189494fb97 [0,0,1,0,0,0|2,0,1]=4 48 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,0,1,0,0,0|1,0,2]=4 49 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [0,0,1,0,0,0|2,0,1]=4 50 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [0,0,1,0,0,0|1,0,2]=4 51 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,0,1,0,0,0|2,0,1]=4 52 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,0,1,0,0,0|2,0,1]=4 53 B6R0.6 C=CCCNC#N 7f6209637e037705b943b176b9fa9994 [0,0,1,0,0,0|2,0,1]=4 54 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [0,0,1,0,0,0|1,0,0]=2 55 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,0,1,0,0,0|2,0,1]=4 56 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,0,1,0,0,0|2,0,1]=4 57 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,0,1,0,0,0|1,0,2]=4 58 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,0,1,0,0,0|2,0,1]=4 59 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,0,1,0,0,0|2,0,1]=4 60 B6R0.6 C=CCNCC#N e6dacd4b5043db0119c1a8003acadd33 [0,0,1,0,0,0|2,0,1]=4 61 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,0,1,0,0,0|2,0,1]=4 62 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,0,1,0,0,0|2,0,1]=4 63 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,0,1,0,0,0|2,0,1]=4 64 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,0,1,0,0,0|2,0,1]=4 65 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,0,1,0,0,0|1,0,2]=4 66 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,0,1,0,0,0|1,1,1]=4 67 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [0,0,1,0,0,0|2,0,1]=4 68 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,0,1,0,0,0|2,0,1]=4 69 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,0,1,0,0,0|2,0,1]=4 70 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,0,1,0,0,0|1,1,1]=4 71 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,0,1,0,0,0|3,0,0]=4 72 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,0,1,0,0,0|1,0,2]=4 73 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,0,1,0,0,0|2,0,1]=4 74 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,0,1,0,0,0|2,0,1]=4 75 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,0,1,0,0,0|1,0,1]=3 76 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,0,1,0,0,0|1,0,1]=3 77 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,0,1,0,0,0|1,0,1]=3 78 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,0,1,0,0,0|2,0,1]=4 79 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,0,1,0,0,0|2,0,1]=4 80 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,0,1,0,0,0|1,0,2]=4 81 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,0,1,0,0,0|2,0,1]=4 82 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,0,1,0,0,0|2,0,1]=4 83 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,0,1,0,0,0|2,0,1]=4 84 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [0,0,1,0,0,0|2,0,1]=4 85 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,0,1,0,0,0|2,0,1]=4 86 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [0,0,1,0,0,0|2,0,1]=4 87 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,0,1,0,0,0|2,0,1]=4 88 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [0,0,1,0,0,0|3,0,0]=4 89 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,0,1,0,0,0|2,0,1]=4 90 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,0,1,0,0,0|2,0,1]=4 91 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,0,1,0,0,0|2,0,1]=4 92 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,0,1,0,0,0|2,0,1]=4 93 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,0,1,0,0,0|2,0,1]=4 94 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,0,1,0,0,0|2,0,1]=4 95 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,0,1,0,0,0|2,0,1]=4 96 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,0,1,0,0,0|2,0,1]=4 97 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,0,1,0,0,0|2,0,1]=4 98 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,0,1,0,0,0|2,0,1]=4 99 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,1,0,0,0|1,0,0]=3 100 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,1,0,0,0|2,0,0]=4 101 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,1,0,0,0|2,0,0]=4 102 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,1,0,0,0|2,0,0]=4 103 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,1,0,0,0|2,0,0]=4 104 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,1,0,0,0|2,0,0]=4 105 B7R0.3 C#CC(=O)NCCC cae95b1c8d30c3884ac9714e15062442 [0,1,1,0,0,0|0,0,2]=4 106 B7R0.3 C#CCNC(=O)C=C 4a9cb7bc45daa667ed206a695acf02ea [0,1,1,0,0,0|0,0,2]=4 107 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,1,1,0,0,0|2,0,0]=4 108 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,1,1,0,0,0|2,0,0]=4 109 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,1,0,0,0|2,0,0]=4 110 B7R0.3 C=CC(=O)NCC#N 4894e17c551632e256cc35ce056f8de6 [0,1,1,0,0,0|1,0,1]=4 111 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,1,1,0,0,0|1,0,0]=3 112 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,1,0,0,0|0,0,0]=2 113 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,1,1,0,0,0|1,0,0]=3 114 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,1,1,0,0,0|1,0,0]=3 115 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,1,0,0,0|1,0,0]=3 116 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,1,1,0,0,0|1,0,0]=3 117 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,1,1,0,0,0|1,0,1]=4 118 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,1,0,0,0|1,0,1]=4 119 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,1,1,0,0,0|1,0,1]=4 120 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,1,1,0,0,0|0,0,2]=4 121 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,1,1,0,0,0|1,0,1]=4 122 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [0,1,1,0,0,0|1,0,1]=4 123 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [0,1,1,0,0,0|1,0,1]=4 124 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [0,1,1,0,0,0|1,0,1]=4 125 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [0,1,1,0,0,0|1,0,1]=4 126 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,1,1,0,0,0|1,0,1]=4 127 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,1,1,0,0,0|1,0,1]=4 128 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,1,0,0,0|1,0,0]=3 129 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [0,1,1,0,0,0|0,0,2]=4 130 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [0,1,1,0,0,0|1,0,1]=4 131 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [0,1,1,0,0,0|1,0,1]=4 132 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,1,1,0,0,0|1,0,1]=4 133 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [0,1,1,0,0,0|1,0,1]=4 134 B7R0.3 CCNCC(=O)NO 7228bb52838409a6b0afe1bee2beaf9e [0,1,1,0,0,0|2,0,0]=4 135 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [0,1,1,0,0,0|1,0,1]=4 136 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,1,1,0,0,0|2,0,0]=4 137 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,1,1,0,0,0|2,0,0]=4 138 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [0,1,1,0,0,0|0,0,2]=4 139 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [0,1,1,0,0,0|1,0,1]=4 140 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [0,1,1,0,0,0|1,0,1]=4 141 B7R0.3 O=CC(=O)NCCBr 2e764955e5b027229dc47aa131dbf662 [0,1,1,0,0,0|2,0,0]=4 142 B7R0.3 O=CC(=O)NCCF fc9621fe97219629ab963b2546f4b25a [0,1,1,0,0,0|2,0,0]=4 143 B7R0.3 O=CC(=O)NCCI e0a4f5a8499d8d769053243c1c1c0e74 [0,1,1,0,0,0|2,0,0]=4 144 B7R0.3 O=CC(=O)NCCO 0f54c9d799f4c0c4875a4c5afe26d691 [0,1,1,0,0,0|2,0,0]=4 145 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [0,1,1,0,0,0|2,0,0]=4 146 B7R0.7 C/C=C/C(=O)NC#N 0ae61ad14dd91be688708d0097c2e2f5 [0,1,1,0,0,0|1,0,1]=4 147 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,1,1,0,0,0|1,0,1]=4 148 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,1,1,0,0,0|2,0,0]=4 149 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,1,1,0,0,0|1,0,1]=4 150 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,1,1,0,0,0|1,0,1]=4 151 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,1,1,0,0,0|1,0,0]=3 152 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,1,1,0,0,0|1,0,1]=4 153 B7R0.10 CCN(C)C(=O)C=O db5732fec82020b1e06387d47e0f63dc [0,1,1,0,0,0|2,0,0]=4 154 B7R0.4 C=C(Br)CCOCC cc4fc6a1af0a8e14aface9bf14962130 [0,1,1,0,0,0|1,0,1]=4 155 B7R0.4 C=C(Br)CCOCF ea4ba58a0dda0d4ff610398e2a49e354 [0,1,1,0,0,0|2,0,0]=4 156 B7R0.4 C=C(Br)CNCC=O e2d5057e5415c014e4eba7dcda8d7077 [0,1,1,0,0,0|2,0,0]=4 157 B7R0.4 C=C(Br)CNCCBr a2af0ee62ca630ae997fcbeaeff3ecd2 [0,1,1,0,0,0|2,0,0]=4 158 B7R0.4 C=C(Br)CNCCC fa829c84ae21852cc8a84c5b2b04c392 [0,1,1,0,0,0|1,0,1]=4 159 B7R0.4 C=C(Br)CNCCF bdffe3c671a0357e35ee82ddc2a4b0c6 [0,1,1,0,0,0|2,0,0]=4 160 B7R0.4 C=C(Br)CNCCI 4f584c60421c6beb30ceb5a392863e01 [0,1,1,0,0,0|2,0,0]=4 161 B7R0.4 C=C(Br)CNCCO 00225027954a340a3118d5c001a92b30 [0,1,1,0,0,0|2,0,0]=4 162 B7R0.4 C=C(Br)CNCCS dca08c6fd8d32a0e9dbeabff228c3836 [0,1,1,0,0,0|2,0,0]=4 163 B7R0.4 C=C(Br)COCC=O 932c0edd4ecfcd86b1a7540357a0c61e [0,1,1,0,0,0|2,0,0]=4 164 B7R0.4 C=C(Br)COCCC 5863f2e2fc458f31ad6edaa914f592f2 [0,1,1,0,0,0|1,0,1]=4 165 B7R0.4 C=C(Br)COCCF cd028c386ab5c9854ed6d44716188962 [0,1,1,0,0,0|2,0,0]=4 166 B7R0.4 C=C(Br)COCCS 2f018ef17191cca522d54112a5eff02e [0,1,1,0,0,0|2,0,0]=4 167 B7R0.4 C=C(C)CCNC=O 4d615a3112b965fa05f258614a56fe4d [0,1,1,0,0,0|2,0,0]=4 168 B7R0.4 C=C(C)CCNCC 496668f773ae381b7253fe5c2e31b849 [0,1,1,0,0,0|1,0,1]=4 169 B7R0.4 C=C(C)CCNCF d9277e4b518036e504534a47b4d2c8d3 [0,1,1,0,0,0|2,0,0]=4 170 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,1,1,0,0,0|2,0,0]=4 171 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,1,1,0,0,0|1,0,1]=4 172 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,1,1,0,0,0|2,0,0]=4 173 B7R0.4 C=C(C)CNCC=O 9d28817af531c4aeff91a0e804528258 [0,1,1,0,0,0|2,0,0]=4 174 B7R0.4 C=C(C)CNCCBr 2a71f14abd6d980bb31a1c9bc14c70f0 [0,1,1,0,0,0|2,0,0]=4 175 B7R0.4 C=C(C)CNCCC 9338ac3992e47efae82e0b1fb1732dd0 [0,1,1,0,0,0|1,0,1]=4 176 B7R0.4 C=C(C)CNCCF 147c63cc249cacaac64968cb85a45eaf [0,1,1,0,0,0|2,0,0]=4 177 B7R0.4 C=C(C)CNCCI 5db841d6ee2087586757d7c691268e13 [0,1,1,0,0,0|2,0,0]=4 178 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,1,1,0,0,0|2,0,0]=4 179 B7R0.4 C=C(C)CNCCS b56ce23cba380640f2babb6ed5fa0d2e [0,1,1,0,0,0|2,0,0]=4 180 B7R0.4 C=C(C)COCC=O ac319c323600422cf8ad488ebe56732b [0,1,1,0,0,0|2,0,0]=4 181 B7R0.4 C=C(C)COCCC 76f9760152185d12d96d255aaf2df59a [0,1,1,0,0,0|1,0,1]=4 182 B7R0.4 C=C(C)COCCF 2393b781abe28f80c22ecc5054861ab3 [0,1,1,0,0,0|2,0,0]=4 183 B7R0.4 C=C(C)COCCS 49de4109ab241775eb4f5124e18dde45 [0,1,1,0,0,0|2,0,0]=4 184 B7R0.4 C=C(Cl)CNCCBr 4c903b5932a03e4f5653cd57667fc373 [0,1,1,0,0,0|2,0,0]=4 185 B7R0.4 C=C(Cl)CNCCC e211f531740b4a6af99c40dd77a72224 [0,1,1,0,0,0|1,0,1]=4 186 B7R0.4 C=C(Cl)CNCCF d37e8a2e77cb5d4ae23c734a326ed96f [0,1,1,0,0,0|2,0,0]=4 187 B7R0.4 C=C(Cl)CNCCI 9ea850a83a4ec71e5e79dc8899c3ed82 [0,1,1,0,0,0|2,0,0]=4 188 B7R0.4 C=C(Cl)CNCCO 6a611a7eb068d7dde6e67ecabe81bad2 [0,1,1,0,0,0|2,0,0]=4 189 B7R0.4 C=C(Cl)CNCCS c3d4b5e9deb92301fa96d0a10ab7e0a9 [0,1,1,0,0,0|2,0,0]=4 190 B7R0.4 C=C(Cl)COCC=O a46b3c2e85fcf61c0da6edc2f5657d08 [0,1,1,0,0,0|2,0,0]=4 191 B7R0.4 C=C(Cl)COCCC 8abcd6ae9b62bc4ff24e78f1b1637d62 [0,1,1,0,0,0|1,0,1]=4 192 B7R0.4 C=C(Cl)COCCF bfeec13c0fc32fddad28bd44930cedd4 [0,1,1,0,0,0|2,0,0]=4 193 B7R0.4 C=C(Cl)COCCS bed65824f0d2b594a8ec24439f554b14 [0,1,1,0,0,0|2,0,0]=4 194 B7R0.4 C=C(F)CNCCBr a95231baef5e5cc0c38c7177c04d4cb2 [0,1,1,0,0,0|2,0,0]=4 195 B7R0.4 C=C(F)CNCCC 4667877133a3f36f4c10609c396b250b [0,1,1,0,0,0|1,0,1]=4 196 B7R0.4 C=C(F)CNCCF 3c9599d455fab8f8b1b7798a035b518b [0,1,1,0,0,0|2,0,0]=4 197 B7R0.4 C=C(F)CNCCI 3acf03f3fc80bbf3bcc0b632080eb4d2 [0,1,1,0,0,0|2,0,0]=4 198 B7R0.4 C=C(F)CNCCO 9267c34bfc2d6383ea073c0636587814 [0,1,1,0,0,0|2,0,0]=4 199 B7R0.4 C=C(F)CNCCS 93ef00bb86767141facd92bc2b3d3770 [0,1,1,0,0,0|2,0,0]=4 200 B7R0.4 C=C(F)COCC=O 991067569a0b8c59acfbfec7abe6c1dd [0,1,1,0,0,0|2,0,0]=4 201 B7R0.4 C=C(F)COCCC 16c2ba6933f26fb577f08eb88fa11a89 [0,1,1,0,0,0|1,0,1]=4 202 B7R0.4 C=C(F)COCCF b7eb1549e162ff12acf84ad5b4d7b85c [0,1,1,0,0,0|2,0,0]=4 203 B7R0.4 C=C(F)COCCS 6f04acbd4df5b3ab276bec02cf9e105d [0,1,1,0,0,0|2,0,0]=4 204 B7R0.4 C=C(I)COCC=O 9efc69fa4611219ea35bee8334c7e9a5 [0,1,1,0,0,0|2,0,0]=4 205 B7R0.4 C=C(I)COCCC 0f8c92f8408141dde0e1a21bfdcf65bf [0,1,1,0,0,0|1,0,1]=4 206 B7R0.4 C=C(I)COCCF a7f60a4ec955fff2b06cd1137598c7d9 [0,1,1,0,0,0|2,0,0]=4 207 B7R0.4 C=C(I)COCCS 5fc097c1866a8915a26e31c2327c798c [0,1,1,0,0,0|2,0,0]=4 208 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [0,1,1,0,0,0|0,0,2]=4 209 B7R0.4 C=CCNCC(=C)Br f343d521e7b4355a1ef62e6ad9e157ca [0,1,1,0,0,0|1,0,1]=4 210 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [0,1,1,0,0,0|1,0,1]=4 211 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [0,1,1,0,0,0|0,0,2]=4 212 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [0,1,1,0,0,0|1,0,1]=4 213 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [0,1,1,0,0,0|1,0,1]=4 214 B7R0.4 C=CCOCC(=C)Br e62764a0c5e3910f5aa74605955cfa17 [0,1,1,0,0,0|1,0,1]=4 215 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [0,1,1,0,0,0|1,0,1]=4 216 B7R0.4 C=CCOCC(=C)Cl 9a7af04c1473e057367697315b870403 [0,1,1,0,0,0|1,0,1]=4 217 B7R0.4 C=CCOCC(=C)F 1ddb253cc8cf7e632d103ee542ee3627 [0,1,1,0,0,0|1,0,1]=4 218 B7R0.4 C=CCOCC(=C)I eb0cf4905c380d4757f5c7d2e0fb60fd [0,1,1,0,0,0|1,0,1]=4 219 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [0,1,1,0,0,0|0,0,2]=4 220 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [0,1,1,0,0,0|1,0,1]=4 221 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [0,1,1,0,0,0|1,0,1]=4 222 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,1,1,0,0,0|1,0,1]=4 223 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [0,1,1,0,0,0|1,0,1]=4 224 B7R0.4 CC(=O)CNCCF 037d57d4c47ace4be0a5087eec27dc1a [0,1,1,0,0,0|1,0,1]=4 225 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,1,1,0,0,0|1,0,1]=4 226 B7R0.4 CC(=O)CNCCS 7ce62300907f9ccd0384e405866d6aaa [0,1,1,0,0,0|1,0,1]=4 227 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [0,1,1,0,0,0|1,0,1]=4 228 B7R0.4 CC(=O)COCCF 44a64beb94b3f52bac0afdbbbb0c27fe [0,1,1,0,0,0|1,0,1]=4 229 B7R0.4 CC(=O)COCCS aaf6880c5768e2a52385922f009f4e73 [0,1,1,0,0,0|1,0,1]=4 230 B7R0.4 CC(=O)NCCCCl a50262f9e3620db3f540afde4066de77 [0,1,1,0,0,0|1,0,1]=4 231 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,1,1,0,0,0|1,0,1]=4 232 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,1,1,0,0,0|0,0,2]=4 233 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [0,1,1,0,0,0|0,0,2]=4 234 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [0,1,1,0,0,0|0,0,2]=4 235 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [0,1,1,0,0,0|1,0,1]=4 236 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [0,1,1,0,0,0|1,0,1]=4 237 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [0,1,1,0,0,0|0,0,2]=4 238 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [0,1,1,0,0,0|1,0,1]=4 239 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [0,1,1,0,0,0|1,0,1]=4 240 B7R0.4 CCNCC=C(C)C babbecd9a4b03d10475bf665994a7cc4 [0,1,1,0,0,0|1,0,1]=4 241 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [0,1,1,0,0,0|1,0,1]=4 242 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [0,1,1,0,0,0|1,0,1]=4 243 B7R0.4 CCOC/C=C(/C)\Cl a79883948efe387ccbf8035e4bbbf803 [0,1,1,0,0,0|1,0,1]=4 244 B7R0.4 CCOC/C=C(/C)\I 31046cb5ab0b5fce8af568a1edb154c5 [0,1,1,0,0,0|1,0,1]=4 245 B7R0.4 CCOCC=C(C)C 24a34a23a06cf18457415c98f967840a [0,1,1,0,0,0|1,0,1]=4 246 B7R0.4 CCOCC=C(C)I 79d9eb8c50caa3a3f2106cdc9cdd7c84 [0,1,1,0,0,0|1,0,1]=4 247 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,1,1,0,0,0|0,0,2]=4 248 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [0,1,1,0,0,0|1,0,1]=4 249 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,1,1,0,0,0|1,0,1]=4 250 B7R0.4 CCOCNC(=O)C b051a792d6529617bfbfb0a9edc5ad16 [0,1,1,0,0,0|1,0,1]=4 251 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,1,1,0,0,0|1,0,1]=4 252 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,1,1,0,0,0|1,0,1]=4 253 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,1,1,0,0,0|1,0,1]=4 254 B7R0.4 CSCCNC(=O)C d94327ff4326745067a7a93e58177af9 [0,1,1,0,0,0|1,0,1]=4 255 B7R0.4 CSCNCC(=O)C 45bb082b9a0036036408483af8cc43e5 [0,1,1,0,0,0|1,0,1]=4 256 B7R0.4 CSCOCC(=O)C a99e30955cce4bbe9c0c1e4d13a22534 [0,1,1,0,0,0|1,0,1]=4 257 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [0,1,1,0,0,0|2,0,0]=4 258 B7R0.4 NC(=O)CCNCF 20ec4b7c637071ae24e3cdf4bbdc4bb7 [0,1,1,0,0,0|2,0,0]=4 259 B7R0.4 NC(=O)CCNCO 8d6a6b05e8f134f68517fe004903b837 [0,1,1,0,0,0|2,0,0]=4 260 B7R0.4 NC(=O)CCOCF 7d212825caf98dd8861bf8614019cc84 [0,1,1,0,0,0|2,0,0]=4 261 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [0,1,1,0,0,0|2,0,0]=4 262 B7R0.4 NC(=O)CNCCBr efd5ac610f3bf0af030019a2a0ff4ee3 [0,1,1,0,0,0|2,0,0]=4 263 B7R0.4 NC(=O)CNCCF 88409f29ce1f997fc9276ae451d20bd9 [0,1,1,0,0,0|2,0,0]=4 264 B7R0.4 NC(=O)CNCCI 0c80ee12c3f6bb203c2aa04fa4e00ea0 [0,1,1,0,0,0|2,0,0]=4 265 B7R0.4 NC(=O)CNCCO 02184e14b25877b3290e4ad2b4992b8c [0,1,1,0,0,0|2,0,0]=4 266 B7R0.4 NC(=O)CNCCS eabeface6d5825fa54ff76a59eda8562 [0,1,1,0,0,0|2,0,0]=4 267 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [0,1,1,0,0,0|2,0,0]=4 268 B7R0.4 NC(=O)COCCF d469c79637b991c6fca3d07cba643bba [0,1,1,0,0,0|2,0,0]=4 269 B7R0.4 NC(=O)COCCS cb3082506d52145df233a7d6870ad15a [0,1,1,0,0,0|2,0,0]=4 270 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [0,1,1,0,0,0|2,0,0]=4 271 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,1,1,0,0,0|2,0,0]=4 272 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,1,1,0,0,0|2,0,0]=4 273 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [0,1,1,0,0,0|2,0,0]=4 274 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [0,1,1,0,0,0|2,0,0]=4 275 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [0,1,1,0,0,0|2,0,0]=4 276 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,1,1,0,0,0|2,0,0]=4 277 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [0,1,1,0,0,0|2,0,0]=4 278 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [0,1,1,0,0,0|2,0,0]=4 279 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [0,1,1,0,0,0|2,0,0]=4 280 B7R0.4 O=CCNCC(=O)O 08ed280de66551066677a6ffd3df2c93 [0,1,1,0,0,0|2,0,0]=4 281 B7R0.4 O=CCOCC(=O)O af4627a358303a05a36059ce17b001ba [0,1,1,0,0,0|2,0,0]=4 282 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [0,1,1,0,0,0|1,0,1]=4 283 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [0,1,1,0,0,0|1,0,1]=4 284 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [0,1,1,0,0,0|1,0,1]=4 285 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,1,1,0,0,0|1,0,1]=4 286 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,1,1,0,0,0|1,0,1]=4 287 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,1,1,0,0,0|1,0,1]=4 288 B7R0.1 C#CCCCNC=O 5eda6030f597033b63ed4419962aef56 [0,1,1,0,0,0|0,0,2]=4 289 B7R0.1 C#CCCNCC=C d90d94f7d315e0166250ba5af8ae469e [0,1,1,0,0,0|1,0,1]=4 290 B7R0.1 C#CCCNCC=O 16b88da3a2d7872fd426d7c300d70129 [0,1,1,0,0,0|0,0,2]=4 291 B7R0.1 C#CCCOCC=C 8bdecfee994b87778a9a15bbeef233cc [0,1,1,0,0,0|1,0,1]=4 292 B7R0.1 C#CCCOCC=O a3696b61f345ee7931522dafcfd6d6eb [0,1,1,0,0,0|0,0,2]=4 293 B7R0.1 C#CCNCCC=C 6db24e9c2d55a0af81323c8318489a10 [0,1,1,0,0,0|1,0,1]=4 294 B7R0.1 C#CCNCCC=O aa50e43a719e790522524abe3f128d7c [0,1,1,0,0,0|0,0,2]=4 295 B7R0.1 C#CCOCCC=C fd466e025012a5d497aea84a85fae5e4 [0,1,1,0,0,0|1,0,1]=4 296 B7R0.1 C#CCOCCC=O 7d8bf0924e81c8ef7599df2290cf84d5 [0,1,1,0,0,0|0,0,2]=4 297 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [0,1,1,0,0,0|1,0,1]=4 298 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [0,1,1,0,0,0|1,0,1]=4 299 B7R0.1 C/C=C/COCC=O a04196aefd24112eb562a3e675cacb10 [0,1,1,0,0,0|1,0,0]=3 300 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [0,1,1,0,0,0|1,0,1]=4 301 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [0,1,1,0,0,0|1,0,1]=4 302 B7R0.1 C/C=C\COCC=O 5966da7a2bd6e7b944d12afa3bfd6d4d [0,1,1,0,0,0|1,0,0]=3 303 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [0,1,1,0,0,0|1,0,1]=4 304 B7R0.1 C=CCCCNC#N 2caeec63334acbb1edf3ee2996a39bb2 [0,1,1,0,0,0|1,0,1]=4 305 B7R0.1 C=CCCCNC=O 1cec4421bae4af7df60106eb6ddcfad0 [0,1,1,0,0,0|0,0,0]=2 306 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [0,1,1,0,0,0|1,0,1]=4 307 B7R0.1 C=CCCCNCF cb97b40f9334e05f8372c88939939ba7 [0,1,1,0,0,0|1,0,1]=4 308 B7R0.1 C=CCCCNCO bc1d764ba3fbc6d320ac3a3650c1927a [0,1,1,0,0,0|0,0,2]=4 309 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [0,1,1,0,0,0|1,0,1]=4 310 B7R0.1 C=CCCCOCF 9150f48496bbc264836807a58dabf768 [0,1,1,0,0,0|1,0,1]=4 311 B7R0.1 C=CCCNCC#N a332b7f37f49d54a58efe2c542b996ff [0,1,1,0,0,0|1,0,1]=4 312 B7R0.1 C=CCCNCC=C ed28868ac318a2b10127bb777ccfd9d8 [0,1,1,0,0,0|1,0,0]=3 313 B7R0.1 C=CCCNCC=O c2b6ae4db4c393ea2eb8af295ed3c4e1 [0,1,1,0,0,0|0,0,0]=2 314 B7R0.1 C=CCCNCCBr 9d6fe4df9dce835221226fda810fed2a [0,1,1,0,0,0|1,0,1]=4 315 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [0,1,1,0,0,0|1,0,1]=4 316 B7R0.1 C=CCCNCCF df90bb8c2d6535e4102c23849615d565 [0,1,1,0,0,0|1,0,1]=4 317 B7R0.1 C=CCCNCCI 8c3a71d32f0dad02b7da12c242179cf1 [0,1,1,0,0,0|1,0,1]=4 318 B7R0.1 C=CCCNCCO e01108dc49a4a196aac93cc64ea57385 [0,1,1,0,0,0|0,0,2]=4 319 B7R0.1 C=CCCNCCS 6fb537c69bbd08ef9d838cfd708a7128 [0,1,1,0,0,0|0,1,1]=4 320 B7R0.1 C=CCCNCOC 8f0f8bcd52f219bb312c8531dc0ad727 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.1 C=CCCNCSC 06b88d7f781016906bb68e65d87663c6 [0,1,1,0,0,0|2,0,0]=4 322 B7R0.1 C=CCCOCC#N d365122be2095f88b420ea78aed40a5c [0,1,1,0,0,0|1,0,1]=4 323 B7R0.1 C=CCCOCC=C 939c1a141ebeb73d6fcd232d33a4a17c [0,1,1,0,0,0|1,0,0]=3 324 B7R0.1 C=CCCOCC=O 6dd80ffa9b8242d7dabff7bfee08f19c [0,1,1,0,0,0|0,0,0]=2 325 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [0,1,1,0,0,0|1,0,1]=4 326 B7R0.1 C=CCCOCCF d1a9ceb7b5340ceba62008a296f94987 [0,1,1,0,0,0|1,0,1]=4 327 B7R0.1 C=CCCOCCS bf275c04417488c0587de53da6966edb [0,1,1,0,0,0|0,1,1]=4 328 B7R0.1 C=CCCOCOC 62062715ff07657ee6c733dcf0686178 [0,1,1,0,0,0|2,0,0]=4 329 B7R0.1 C=CCCOCSC 8e4f658ed6ad36c90d17543ce37f7151 [0,1,1,0,0,0|2,0,0]=4 330 B7R0.1 C=CCNCC=CC 38ec17f6446a97524dd04ec6f1e4cb2d [0,1,1,0,0,0|1,0,1]=4 331 B7R0.1 C=CCNCCC#N ebe6ef4017e88e939a746deb0ffff8ba [0,1,1,0,0,0|1,0,1]=4 332 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [0,1,1,0,0,0|1,0,1]=4 333 B7R0.1 C=CCNCCCCl 3679e678eb93153f5724a81718275f41 [0,1,1,0,0,0|1,0,1]=4 334 B7R0.1 C=CCNCCCO aa8bb641288fa90753fbda311da1a40c [0,1,1,0,0,0|0,0,2]=4 335 B7R0.1 C=CCNCCOC 974c7bf3bf9c2bdfc437e72212118ea4 [0,1,1,0,0,0|2,0,0]=4 336 B7R0.1 C=CCNCCON d6a2b5d5e4daf1b2d12e175eb47f6f94 [0,1,1,0,0,0|2,0,0]=4 337 B7R0.1 C=CCNCCSC ace8fb59cb5eab62ee57d0c3ec9f66e8 [0,1,1,0,0,0|2,0,0]=4 338 B7R0.1 C=CCOC/C=C/C a4d22d6b6e8cf5b4b6e90e61c977053c [0,1,1,0,0,0|1,0,1]=4 339 B7R0.1 C=CCOC/C=C/Cl 780a34b41257df1074acb78e79cbaf58 [0,1,1,0,0,0|1,0,1]=4 340 B7R0.1 C=CCOC/C=C\C 06ae5e297685adf51386a3b55a1804fe [0,1,1,0,0,0|1,0,1]=4 341 B7R0.1 C=CCOCC=CC 5f2e10604c48363dfd778fc38b4dd11d [0,1,1,0,0,0|1,0,1]=4 342 B7R0.1 C=CCOCC=CCl 3a1328d2f690c50bdbb50cf80b7063a0 [0,1,1,0,0,0|1,0,1]=4 343 B7R0.1 C=CCOCCC#N de5c98f1eaae1963d325522a08f87649 [0,1,1,0,0,0|1,0,1]=4 344 B7R0.1 C=CCOCCC=O cc02b0802c9074f33779663465b59ae3 [0,1,1,0,0,0|0,0,0]=2 345 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [0,1,1,0,0,0|1,0,1]=4 346 B7R0.1 C=CCOCCCF 40b041b2892fed99cdc75dfb733702a2 [0,1,1,0,0,0|1,0,1]=4 347 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [0,1,1,0,0,0|0,1,1]=4 348 B7R0.1 C=CCOCCOC c2e8cad05b2dcbc1918ac525da469a03 [0,1,1,0,0,0|2,0,0]=4 349 B7R0.1 C=CCOCCSC 4d8cc13163069c87e5a0eeea53c81f9e [0,1,1,0,0,0|2,0,0]=4 350 B7R0.1 C=COCCNC=O 7ffcb3447840a0b895742093e8d4046d [0,1,1,0,0,0|1,0,0]=3 351 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [0,1,1,0,0,0|1,0,1]=4 352 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [0,1,1,0,0,0|1,0,1]=4 353 B7R0.1 CC=CCNCC=O 5d9538246e7192cf7f10ceb0474b57c9 [0,1,1,0,0,0|1,0,0]=3 354 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [0,1,1,0,0,0|1,0,1]=4 355 B7R0.1 CC=CCOCC=O 98aa3aa2b695c739d9bf5f08ad0f7dbd [0,1,1,0,0,0|1,0,0]=3 356 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [0,1,1,0,0,0|1,0,1]=4 357 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [0,1,1,0,0,0|0,0,2]=4 358 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [0,1,1,0,0,0|0,0,2]=4 359 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [0,1,1,0,0,0|0,0,2]=4 360 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [0,1,1,0,0,0|1,0,1]=4 361 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [0,1,1,0,0,0|1,0,1]=4 362 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [0,1,1,0,0,0|0,0,2]=4 363 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [0,1,1,0,0,0|0,0,2]=4 364 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [0,1,1,0,0,0|1,0,1]=4 365 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [0,1,1,0,0,0|1,0,1]=4 366 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [0,1,1,0,0,0|1,0,1]=4 367 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [0,1,1,0,0,0|0,0,2]=4 368 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [0,1,1,0,0,0|0,0,0]=2 369 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [0,1,1,0,0,0|0,0,2]=4 370 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [0,1,1,0,0,0|1,0,1]=4 371 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [0,1,1,0,0,0|1,0,1]=4 372 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [0,1,1,0,0,0|1,0,1]=4 373 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [0,1,1,0,0,0|1,0,1]=4 374 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [0,1,1,0,0,0|1,0,1]=4 375 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [0,1,1,0,0,0|1,0,1]=4 376 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [0,1,1,0,0,0|1,0,1]=4 377 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [0,1,1,0,0,0|1,0,1]=4 378 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [0,1,1,0,0,0|1,0,1]=4 379 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [0,1,1,0,0,0|1,0,1]=4 380 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [0,1,1,0,0,0|1,0,1]=4 381 B7R0.1 N#CCCCNC=O 2ee9339659cd26f3551604e3c373e82a [0,1,1,0,0,0|1,0,1]=4 382 B7R0.1 N#CCCNCC=O ace8d58a49015f6f4f2a2096c27596fb [0,1,1,0,0,0|1,0,1]=4 383 B7R0.1 N#CCCOCC=O f5635aa9ec061d3761bd48ab3dabbef3 [0,1,1,0,0,0|1,0,1]=4 384 B7R0.1 N#CCNCCC=O 9377fb179983a3f31de3cd31892e8272 [0,1,1,0,0,0|1,0,1]=4 385 B7R0.1 N#CCOCCC=O d5d91b156eadefd49106bc56a058e496 [0,1,1,0,0,0|1,0,1]=4 386 B7R0.1 N#CNCCCC=O de6c2527b5c583058557280e038afe12 [0,1,1,0,0,0|1,0,1]=4 387 B7R0.1 NOCCNCC=O d5b2df80c78a07217edb4574fec6b418 [0,1,1,0,0,0|2,0,0]=4 388 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [0,1,1,0,0,0|1,0,0]=3 389 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [0,1,1,0,0,0|1,0,1]=4 390 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [0,1,1,0,0,0|1,0,1]=4 391 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [0,1,1,0,0,0|1,0,1]=4 392 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [0,1,1,0,0,0|1,0,1]=4 393 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [0,1,1,0,0,0|1,0,1]=4 394 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [0,1,1,0,0,0|1,0,1]=4 395 B7R0.1 O=CCCOCC=O 8abc222377ef79acc62e6e971cef3b5b [0,1,1,0,0,0|1,0,0]=3 396 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [0,1,1,0,0,0|1,0,1]=4 397 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [0,1,1,0,0,0|1,0,1]=4 398 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [0,1,1,0,0,0|1,0,1]=4 399 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [0,1,1,0,0,0|1,0,1]=4 400 B7R0.1 O=CCOC/C=C/Cl cbcd43346ec6887de6b80889a96d13f3 [0,1,1,0,0,0|1,0,0]=3 401 B7R0.1 O=CCOCC=CCl 5a42fc503acbf6c888269c65a98eaab1 [0,1,1,0,0,0|1,0,0]=3 402 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [0,1,1,0,0,0|1,0,1]=4 403 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [0,1,1,0,0,0|1,0,1]=4 404 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [0,1,1,0,0,0|1,0,1]=4 405 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [0,1,1,0,0,0|1,0,1]=4 406 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [0,1,1,0,0,0|1,0,1]=4 407 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,2,0,0,0,0|1,0,1]=4 408 B9R1.2 O=C1CCCN(C1)CF 4a3aadad28924fa951595c84af73b014 [0,2,0,0,0,0|1,0,1]=4 409 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [0,2,0,0,0,0|1,0,1]=4 410 B9R1.2 O=CN1CCCC(=O)C1 853ed8a7ea6d407efd205be254a69349 [0,2,0,0,0,0|1,0,1]=4 411 B9R1.8 CCNC1C=CCCC1 381b66b498fdea5c28ca09d8304c5d3a [0,2,0,0,0,0|1,0,1]=4 412 B9R1.8 CCOC1C=CCCC1 7b09c8f3de0d6e6b8ab9978bfcb2c07e [0,2,0,0,0,0|0,0,2]=4 413 B9R1.8 FCNC1C=CCCC1 a6c9055f0f7c2d63d4cffedb1b919b0e [0,2,0,0,0,0|1,0,1]=4 414 B9R1.8 FCOC1C=CCCC1 f72e691aa681616e4382982069cb2aab [0,2,0,0,0,0|0,0,2]=4 415 B9R1.8 N#CNC1C=CCCC1 6046bc07e6200351c2d749ac53193073 [0,2,0,0,0,0|1,0,1]=4 416 B9R1.8 O=CNC1C=CCCC1 3b9c7cf73f1743de12a2aebb90ff96c3 [0,2,0,0,0,0|0,0,1]=3 417 B9R1.8 OCNC1C=CCCC1 1877ec9d2ea79131b01ea5cbad981f77 [0,2,0,0,0,0|0,0,2]=4 418 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,1,1,0,0|1,0,1]=4 419 B7R1.20 CC(=O)NC1CC1 d75fb765a64005f603eb0ff25694647c [0,0,1,1,0,0|1,0,1]=4