0 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [0,1,0,0,0,0|3,0,0]=4 1 B7R1.1 FCN1CCSC1 280fb2e3c3c0e89c3fe1aee00c83a980 [0,1,0,0,0,0|3,0,0]=4 2 B7R1.1 O=CN1CC=CC1 00c83ff9220e787a4c487ae8b9d72ecb [0,1,0,0,0,0|1,0,2]=4 3 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,0,0,0|2,0,0]=3 4 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,1,0,0,0,0|2,0,1]=4 5 B5R0.1 CC(=O)NC#N 96e7b4266c4f58edb3348aa5d4644bfa [0,0,1,0,0,0|2,0,1]=4 6 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [0,0,1,0,0,0|2,0,1]=4 7 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [0,0,1,0,0,0|2,0,1]=4 8 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [0,0,1,0,0,0|2,0,1]=4 9 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [0,0,1,0,0,0|2,0,1]=4 10 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [0,0,1,0,0,0|1,0,0]=2 11 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [0,0,1,0,0,0|2,0,1]=4 12 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [0,0,1,0,0,0|2,0,1]=4 13 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [0,0,1,0,0,0|1,0,2]=4 14 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [0,0,1,0,0,0|2,0,1]=4 15 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [0,0,1,0,0,0|2,0,1]=4 16 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [0,0,1,0,0,0|2,0,1]=4 17 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [0,0,1,0,0,0|2,0,1]=4 18 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [0,0,1,0,0,0|2,0,1]=4 19 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [0,0,1,0,0,0|2,0,1]=4 20 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [0,0,1,0,0,0|1,0,2]=4 21 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [0,0,1,0,0,0|1,1,1]=4 22 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [0,0,1,0,0,0|2,0,1]=4 23 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [0,0,1,0,0,0|2,0,1]=4 24 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [0,0,1,0,0,0|1,1,1]=4 25 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [0,0,1,0,0,0|3,0,0]=4 26 B5R0.2 N#CCNC=O 80b3c5a6fd13156c1522f1a3270bb14c [0,0,1,0,0,0|2,0,1]=4 27 B5R0.2 N#CNCC=O 3856e5cdadd94d32cd8b2d487f474d44 [0,0,1,0,0,0|2,0,1]=4 28 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [0,0,1,0,0,0|2,0,0]=3 29 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [0,0,1,0,0,0|2,0,0]=3 30 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [0,0,1,0,0,0|2,0,0]=3 31 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [0,0,1,0,0,0|2,0,0]=3 32 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [0,0,1,0,0,0|2,0,0]=3 33 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [0,0,1,0,0,0|2,0,0]=3 34 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [0,0,1,0,0,0|3,0,0]=4 35 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,1,1,0,0,0|1,0,1]=4 37 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,1,0,0,0|1,0,0]=3 38 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,1,0,0,0|2,0,0]=4 39 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,1,1,0,0,0|2,0,0]=4 40 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,1,0,0,0|1,0,1]=4 41 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,1,0,0,0|1,0,1]=4 42 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,1,0,0,0|2,0,0]=4 43 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,1,0,0,0|2,0,0]=4 44 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,1,0,0,0|1,0,0]=3 45 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [0,1,1,0,0,0|0,0,2]=4 46 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [0,1,1,0,0,0|1,0,1]=4 47 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [0,1,1,0,0,0|1,0,1]=4 48 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,1,0,0,0|1,0,0]=3 49 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,1,1,0,0,0|2,0,0]=4 50 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,1,1,0,0,0|2,0,0]=4 51 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,1,0,0,0|1,0,0]=3 52 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,1,0,0,0|2,0,0]=4 53 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [0,1,1,0,0,0|1,0,1]=4 54 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [0,1,1,0,0,0|1,0,1]=4 55 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [0,1,1,0,0,0|1,0,1]=4 56 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [0,1,1,0,0,0|1,0,1]=4 57 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,1,0,0,0|1,0,0]=3 58 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,1,0,0,0|1,0,0]=3 59 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,1,0,0,0|1,0,0]=3 60 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [0,1,1,0,0,0|1,0,1]=4 61 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,1,0,0,0|1,0,0]=3 62 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,1,0,0,0|1,0,0]=3 63 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,1,0,0,0|1,0,0]=3 64 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [0,1,1,0,0,0|1,0,0]=3 65 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [0,1,1,0,0,0|1,0,0]=3 66 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,1,0,0,0|0,0,0]=2 67 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,1,1,0,0,0|1,0,1]=4 68 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,1,1,0,0,0|1,0,1]=4 69 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,1,0,0,0|0,0,0]=2 70 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [0,1,1,0,0,0|1,0,0]=3 71 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,1,1,0,0,0|1,0,0]=3 72 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,1,1,0,0,0|1,0,1]=4 73 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,1,1,0,0,0|0,0,2]=4 74 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,1,1,0,0,0|0,0,2]=4 75 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,1,1,0,0,0|0,0,2]=4 76 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,1,0,0,0|0,0,0]=2 77 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [0,1,1,0,0,0|1,0,0]=3 78 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,1,1,0,0,0|1,0,0]=3 79 B6R0.4 CCOCC(=S)N 193178db836031b13efc39b5ff902efa [0,1,1,0,0,0|1,1,0]=4 80 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,1,1,0,0,0|1,0,1]=4 81 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,1,1,0,0,0|1,0,1]=4 82 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,1,1,0,0,0|0,1,1]=4 83 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,1,1,0,0,0|2,0,0]=4 84 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,1,1,0,0,0|1,0,1]=4 85 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,1,1,0,0,0|1,0,1]=4 86 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [0,1,1,0,0,0|2,0,0]=4 87 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,1,1,0,0,0|2,0,0]=4 88 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [0,1,1,0,0,0|2,0,0]=4 89 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,1,1,0,0,0|2,0,0]=4 90 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,1,1,0,0,0|2,0,0]=4 91 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,1,1,0,0,0|2,0,0]=4 92 B6R0.6 C#CCCNC=O aa269773c8a959e33bab616c22811c21 [0,1,1,0,0,0|0,0,2]=4 93 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [0,1,1,0,0,0|1,0,1]=4 94 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [0,1,1,0,0,0|1,0,1]=4 95 B6R0.6 C#CCNCC=O 2d271f91af459c7d98ae98c96855a1c5 [0,1,1,0,0,0|0,0,2]=4 96 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [0,1,1,0,0,0|1,0,1]=4 97 B6R0.6 C#CCOCC=O 83c8c50ba7b73a19d193c552cc20f1a0 [0,1,1,0,0,0|0,0,2]=4 98 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [0,1,1,0,0,0|1,0,1]=4 99 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [0,1,1,0,0,0|1,0,1]=4 100 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [0,1,1,0,0,0|1,0,1]=4 101 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [0,1,1,0,0,0|0,0,2]=4 102 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [0,1,1,0,0,0|1,0,0]=3 103 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [0,1,1,0,0,0|2,0,0]=4 104 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [0,1,1,0,0,0|2,0,0]=4 105 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [0,1,1,0,0,0|1,0,0]=3 106 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [0,1,1,0,0,0|2,0,0]=4 107 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [0,1,1,0,0,0|2,0,0]=4 108 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [0,1,1,0,0,0|1,0,0]=3 109 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [0,1,1,0,0,0|2,0,0]=4 110 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [0,1,1,0,0,0|2,0,0]=4 111 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [0,1,1,0,0,0|2,0,0]=4 112 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [0,1,1,0,0,0|2,0,0]=4 113 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [0,1,1,0,0,0|1,0,0]=3 114 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [0,1,1,0,0,0|2,0,0]=4 115 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [0,1,1,0,0,0|2,0,0]=4 116 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [0,1,1,0,0,0|2,0,0]=4 117 B6R0.6 CC=CCNC=O 4f8730c7216653a335fe81630ffa3901 [0,1,1,0,0,0|0,0,2]=4 118 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [0,1,1,0,0,0|1,0,1]=4 119 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [0,1,1,0,0,0|1,0,1]=4 120 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [0,1,1,0,0,0|1,0,1]=4 121 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [0,1,1,0,0,0|0,0,0]=2 122 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [0,1,1,0,0,0|1,0,1]=4 123 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [0,1,1,0,0,0|1,0,1]=4 124 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [0,1,1,0,0,0|0,0,2]=4 125 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [0,1,1,0,0,0|1,0,1]=4 126 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [0,1,1,0,0,0|1,0,1]=4 127 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [0,1,1,0,0,0|1,0,1]=4 128 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [0,1,1,0,0,0|0,0,0]=2 129 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [0,1,1,0,0,0|1,0,1]=4 130 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [0,1,1,0,0,0|1,0,1]=4 131 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [0,1,1,0,0,0|1,0,1]=4 132 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [0,1,1,0,0,0|1,0,1]=4 133 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [0,1,1,0,0,0|0,0,2]=4 134 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [0,1,1,0,0,0|0,1,1]=4 135 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [0,1,1,0,0,0|2,0,0]=4 136 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [0,1,1,0,0,0|2,0,0]=4 137 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [0,1,1,0,0,0|1,0,1]=4 138 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [0,1,1,0,0,0|0,0,0]=2 139 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [0,1,1,0,0,0|1,0,1]=4 140 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [0,1,1,0,0,0|1,0,1]=4 141 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [0,1,1,0,0,0|0,1,1]=4 142 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [0,1,1,0,0,0|2,0,0]=4 143 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [0,1,1,0,0,0|2,0,0]=4 144 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [0,1,1,0,0,0|1,0,1]=4 145 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [0,1,1,0,0,0|1,0,1]=4 146 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [0,1,1,0,0,0|0,0,2]=4 147 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [0,1,1,0,0,0|2,0,0]=4 148 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [0,1,1,0,0,0|2,0,0]=4 149 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [0,1,1,0,0,0|2,0,0]=4 150 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [0,1,1,0,0,0|1,0,1]=4 151 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [0,1,1,0,0,0|1,0,1]=4 152 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [0,1,1,0,0,0|1,0,1]=4 153 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [0,1,1,0,0,0|0,0,0]=2 154 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [0,1,1,0,0,0|1,0,1]=4 155 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [0,1,1,0,0,0|0,1,1]=4 156 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [0,1,1,0,0,0|2,0,0]=4 157 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [0,1,1,0,0,0|2,0,0]=4 158 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [0,1,1,0,0,0|1,0,0]=3 159 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [0,1,1,0,0,0|1,0,0]=3 160 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [0,1,1,0,0,0|1,0,0]=3 161 B6R0.6 N#CCCNC=O ead702b50681892f7399896cd641fd6d [0,1,1,0,0,0|1,0,1]=4 162 B6R0.6 N#CCNCC=O 93c0064fad5c9e69de8dec7109df1460 [0,1,1,0,0,0|1,0,1]=4 163 B6R0.6 N#CCOCC=O abfc35e6464ed045d6375eb9d16c50eb [0,1,1,0,0,0|1,0,1]=4 164 B6R0.6 N#CNCCC=O db43936b11d02fdbc9f7aaa7e8de9214 [0,1,1,0,0,0|1,0,1]=4 165 B6R0.6 NOCCNC=O 3cd8cf494bfdeac35a731656d378f284 [0,1,1,0,0,0|2,0,0]=4 166 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [0,1,1,0,0,0|1,0,0]=3 167 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [0,1,1,0,0,0|1,0,0]=3 168 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [0,1,1,0,0,0|1,0,0]=3 169 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [0,1,1,0,0,0|1,0,0]=3 170 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [0,1,1,0,0,0|1,0,0]=3 171 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [0,1,1,0,0,0|1,0,0]=3 172 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [0,1,1,0,0,0|1,0,0]=3 173 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [0,1,1,0,0,0|1,0,0]=3 174 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [0,1,1,0,0,0|1,0,0]=3 175 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [0,1,1,0,0,0|1,0,0]=3 176 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [0,1,0,0,1,0|2,0,0]=4 177 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [0,1,0,0,1,0|2,0,0]=4 178 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,1,0,0,1,0|1,0,0]=3 179 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,1,0,0,1,0|1,0,1]=4 180 B8R1.2 CCN1CCCOC1 53af203468797a49275022682d8f1a11 [0,1,0,0,0,1|2,0,0]=4 181 B8R1.2 CCN1CCCSC1 94ac8411443cb0a4aa7db7b3767bc109 [0,1,0,0,0,1|2,0,0]=4 182 B8R1.2 CCN1CCOCC1 fb923a7109dd2702dd7751939694bf0a [0,1,0,0,0,1|2,0,0]=4 183 B8R1.2 CCN1CCSCC1 1b9658d9d2dd04d5c3441497757b0605 [0,1,0,0,0,1|2,0,0]=4 184 B8R1.2 FCN1CCCOC1 0813b9bdd7e109f7922171400e48b2a2 [0,1,0,0,0,1|2,0,0]=4 185 B8R1.2 FCN1CCCSC1 18b1e690d5a67e082a0e052f9650c2cd [0,1,0,0,0,1|2,0,0]=4 186 B8R1.2 FCN1CCOCC1 af38a82d0a4a474edc4ef56a4d84bb37 [0,1,0,0,0,1|2,0,0]=4 187 B8R1.2 FCN1CCSCC1 3fd57c8b0b453362bf0663a583869566 [0,1,0,0,0,1|2,0,0]=4 188 B8R1.2 O=CN1CC=CCC1 abda8c9c434a5ad8486bfd366e58ea03 [0,1,0,0,0,1|1,0,1]=4 189 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,1,0,0,0,1|1,0,0]=3 190 B8R1.2 O=CN1CCCSC1 02efafcaba189386286d3d47585eb111 [0,1,0,0,0,1|1,0,0]=3 191 B8R1.2 O=CN1CCOCC1 477872453b181b061009dc05da1525e4 [0,1,0,0,0,1|1,0,0]=3 192 B8R1.2 O=CN1CCSCC1 ef4056096863dc4bdb0fd1df8e6f14a0 [0,1,0,0,0,1|1,0,0]=3 193 B8R1.2 OCN1CCCOC1 5d3795378d3cf5e5400d928253cd75c6 [0,1,0,0,0,1|1,0,1]=4 194 B8R1.2 OCN1CCCSC1 29a305b970bef8ec6ed20eb90ae3d8b0 [0,1,0,0,0,1|1,0,1]=4 195 B8R1.2 OCN1CCOCC1 3c0de8397d4dab0c1377ef06b9b6455d [0,1,0,0,0,1|1,0,1]=4 196 B8R1.2 OCN1CCSCC1 4d391d2b8bcebf873f589c97ea63c0e7 [0,1,0,0,0,1|1,0,1]=4 197 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [0,2,0,0,0,0|1,0,0]=3 198 B8R1.1 CC1CCN(C1)CF da0970cce8482326171d63e42120fe9a [0,2,0,0,0,0|2,0,0]=4 199 B8R1.1 CC1CCN(C1)CO 35ec454f519cadc0e2b5b2b07f513132 [0,2,0,0,0,0|1,0,1]=4 200 B8R1.1 CCN1CCC(C1)C c5b0c6261615cc6c7323d9c48f305770 [0,2,0,0,0,0|2,0,0]=4 201 B8R1.1 CCN1CCC(C1)F 8d301cd853ecef6fb4279b0612590591 [0,2,0,0,0,0|2,0,0]=4 202 B8R1.1 CCN1CCC(C1)O 1fbe07547593a6faa177084d503fc6f1 [0,2,0,0,0,0|2,0,0]=4 203 B8R1.1 CCN1CC[C@@H](C1)F 45d2c8580b418f04d6df20f8ae6a7937 [0,2,0,0,0,0|2,0,0]=4 204 B8R1.1 CCN1CC[C@@H](C1)O 70cbbe96f459a233588b5761b6688faa [0,2,0,0,0,0|2,0,0]=4 205 B8R1.1 CCN1CC[C@H](C1)F 4c21ca896f7eba6f6ebed5cb028fb6fe [0,2,0,0,0,0|2,0,0]=4 206 B8R1.1 CCN1CC[C@H](C1)O 8caeefff584b981372b55b1e6e9f82dc [0,2,0,0,0,0|2,0,0]=4 207 B8R1.1 CCN1CNC(=O)C1 58009d6dfded7497e427ac45a5ff5413 [0,2,0,0,0,0|2,0,0]=4 208 B8R1.1 CN1CCN(C1)C=O 8b7db25ff5974733ece4d3fc3a4817d7 [0,2,0,0,0,0|2,0,0]=4 209 B8R1.1 FCN1CCC(C1)F 6ea25b215bc9889a86e0fc55d6d726df [0,2,0,0,0,0|2,0,0]=4 210 B8R1.1 FCN1CC[C@@H](C1)F 2542d5769bff30d922f8ff3867281349 [0,2,0,0,0,0|2,0,0]=4 211 B8R1.1 FCN1CC[C@H](C1)F e130aa1e62a7d258f8883f0d437f28a9 [0,2,0,0,0,0|2,0,0]=4 212 B8R1.1 O=C1CN(CN1)CF f13f56dc757cd85272f424d9ac53fbce [0,2,0,0,0,0|2,0,0]=4 213 B8R1.1 O=C1CN(CN1)CO e561a9f6a1ffe109b2b8eed70763223f [0,2,0,0,0,0|2,0,0]=4 214 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [0,2,0,0,0,0|1,0,0]=3 215 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [0,2,0,0,0,0|1,0,0]=3 216 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [0,2,0,0,0,0|1,0,0]=3 217 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [0,2,0,0,0,0|1,0,0]=3 218 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [0,2,0,0,0,0|1,0,0]=3 219 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [0,2,0,0,0,0|1,0,0]=3 220 B8R1.1 OC1CCN(C1)CF 245b27174aeaed19468a8a5b46c8d958 [0,2,0,0,0,0|2,0,0]=4 221 B8R1.1 OCN1CCC(C1)F 4e1b0e865f35d9e88a723b21d468b144 [0,2,0,0,0,0|1,0,1]=4 222 B8R1.1 OCN1CCC(C1)O 9bea44962414eb08c5c787d7845d9e4f [0,2,0,0,0,0|1,0,1]=4 223 B8R1.1 OCN1CC[C@@H](C1)F 1b91c1daf3e9830d74760f5595516c6e [0,2,0,0,0,0|1,0,1]=4 224 B8R1.1 OCN1CC[C@@H](C1)O 8cff2485084eb573b880545a5c7bb462 [0,2,0,0,0,0|1,0,1]=4 225 B8R1.1 OCN1CC[C@H](C1)F e8d697abd953f38d763a1d8e7bf0a21d [0,2,0,0,0,0|1,0,1]=4 226 B8R1.1 OCN1CC[C@H](C1)O 9a83745859226945baeca6641c8f0bfc [0,2,0,0,0,0|1,0,1]=4 227 B8R1.1 O[C@@H]1CCN(C1)CF e1b19d855740533d39a1c7d2295137c4 [0,2,0,0,0,0|2,0,0]=4 228 B8R1.1 O[C@H]1CCN(C1)CF 84f7f0c3a25af3cdcbadcc576a5b6ba4 [0,2,0,0,0,0|2,0,0]=4 229 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,2,0,0,0,0|2,0,0]=4 230 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,2,0,0,0,0|1,0,1]=4 231 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,2,0,0,0,0|0,0,2]=4 232 B8R1.8 FCNC1CCCC1 aa1dda43fcc2c9304287b028aaf95907 [0,2,0,0,0,0|1,0,1]=4 233 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,2,0,0,0,0|0,0,2]=4 234 B8R1.8 N#CNC1CCCC1 1455c5fdc3e5fbc19f5d3501e1b484ad [0,2,0,0,0,0|1,0,1]=4 235 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,2,0,0,0,0|2,0,0]=4 236 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,2,0,0,0,0|0,0,1]=3 237 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [0,2,0,0,0,0|1,0,1]=4 238 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [0,2,0,0,0,0|1,0,1]=4 239 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [0,2,0,0,0,0|1,0,1]=4 240 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [0,2,0,0,0,0|1,0,1]=4 241 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,2,0,0,0,0|0,0,2]=4 242 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,2,0,0,0,0|1,0,0]=3 243 B8R1.11 CC1CCCN1CF fe20c957914c646b3b4006d1b063b75a [0,2,0,0,0,0|2,0,0]=4 244 B8R1.11 CC1CCCN1CO 54974954fab0e072c3e5d67d217551d6 [0,2,0,0,0,0|1,0,1]=4 245 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,2,0,0,0,0|2,0,0]=4 246 B8R1.11 CCN1CCCC1C 74d058d7956efbc8ae4ef590fc86d9c6 [0,2,0,0,0,0|2,0,0]=4 247 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,2,0,0,0,0|2,0,0]=4 248 B8R1.11 CCN1CCC[C@@H]1C 5bf7e722ced97ef7aec7490b4d0dc25a [0,2,0,0,0,0|2,0,0]=4 249 B8R1.11 CCN1CCC[C@H]1C e74b9532535bc2eef7ae4850e9df5331 [0,2,0,0,0,0|2,0,0]=4 250 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,2,0,0,0,0|1,0,0]=3 251 B8R1.11 C[C@@H]1CCCN1CF e9b99bb24d3baf133d2b2e0829d1f9dd [0,2,0,0,0,0|2,0,0]=4 252 B8R1.11 C[C@@H]1CCCN1CO 4fcb8232d21346615f4cbb83427dc320 [0,2,0,0,0,0|1,0,1]=4 253 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.11 C[C@H]1CCCN1CF dcda868098b241037a860e32aa3597cd [0,2,0,0,0,0|2,0,0]=4 255 B8R1.11 C[C@H]1CCCN1CO 2f61618a874473c8038742f46c63e99b [0,2,0,0,0,0|1,0,1]=4 256 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [0,2,0,0,0,0|1,0,0]=3 257 B8R1.11 OC1CCCN1CF c790b4455a65a534413a9c15340a6b8e [0,2,0,0,0,0|2,0,0]=4 258 B8R1.11 OCN1CCCC1O 2e2202d296df0fbf3a7f469e1d91c122 [0,2,0,0,0,0|1,0,1]=4