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O=CN[C@@H]1CCC(=O)NC1 9847345e966f9edf97f6cc4338684cd6 [0,1,0,0,0,0|2,0,1]=4 111 B10R1.1 O=CN[C@H]1CCC(=O)NC1 4370ca681341305b2f814da5310d1c7d [0,1,0,0,0,0|2,0,1]=4 112 B10R1.1 O=CN[C@H]1CC[C@@H](CC1)Cl 464f7c9c757bbf4b5094a995c3936139 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.1 O=CN[C@H]1CC[C@@H](CC1)O d6c30b9eedd638affbdd8dbfa14d3532 [0,1,0,0,0,0|1,0,0]=2 114 B10R1.1 O=CN[C@H]1CC[C@H](CC1)Cl a2d2eb6869558ffb8e8c032c7ca77b62 [0,1,0,0,0,0|1,0,0]=2 115 B10R1.1 O=CN[C@H]1CC[C@H](CC1)O 69d43dcd77798c743c4f1d4468f85616 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.1 OC1CCC(CC1)NCF 173941c078315b0b62a125e136946135 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.1 OCNC1CCC(CC1)Cl 14ddfd4e42c900b9ccebe27362de4ea8 [0,1,0,0,0,0|1,0,2]=4 118 B10R1.1 OCNC1CCC(CC1)O 563a1e3160aa08d43754abf204c4f93b [0,1,0,0,0,0|1,0,2]=4 119 B10R1.1 OCN[C@H]1CC[C@@H](CC1)Cl fb81ad86a8c3425c2ad2f852061d9cbf [0,1,0,0,0,0|1,0,2]=4 120 B10R1.1 OCN[C@H]1CC[C@@H](CC1)O 72a8642bbc5861441fdeacab8df3982d [0,1,0,0,0,0|1,0,2]=4 121 B10R1.1 OCN[C@H]1CC[C@H](CC1)Cl dc9b9015a4f0d208329ff7ed4eb4384a [0,1,0,0,0,0|1,0,2]=4 122 B10R1.1 OCN[C@H]1CC[C@H](CC1)O f2d05954ab0e7cc9388ae785a7ea5f83 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.1 O[C@H]1CC[C@@H](CC1)NCF 1a1bb6ed9b17af03c027aaa18f7571d4 [0,1,0,0,0,0|2,0,1]=4 124 B10R1.1 O[C@H]1CC[C@H](CC1)NCF c823bb0f45c2feefcd322eefe5192838 [0,1,0,0,0,0|2,0,1]=4 125 B10R1.4 C=CCN1CCCCC1C da41b4be3a80a7e44cf967326b087219 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.4 C=CCN1CCCC[C@@H]1C c52ed1f4b4871d94ee71015af59b5b20 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.4 C=CCN1CCCC[C@H]1C 8ca0a1913c3b1d54079130b87b47e568 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.4 CC1CCCCC1NC=O 4fd9fa7a65ca398ed79f81ac509c8018 [0,1,0,0,0,0|1,0,0]=2 129 B10R1.4 CC1CCCCC1NCF c203a73038ae4c8562b3e3f4f4e7597a [0,1,0,0,0,0|2,0,1]=4 130 B10R1.4 CC1CCCCC1NCO 0e3762ab7ee63ac783585aca2f7ed5e4 [0,1,0,0,0,0|1,0,2]=4 131 B10R1.4 CC1CCCCC1OCF c019e894d67eaa147137c1ce65162cdf [0,1,0,0,0,0|1,0,1]=3 132 B10R1.4 CC1CCCCN1CC=O 62c0bbb8af52ea1fa506ef64adafd791 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.4 CC1COCCC1NC=O 2f51139ff2cf0ebede7d7b0028173a2e [0,1,0,0,0,0|2,0,0]=3 134 B10R1.4 CC1COCCC1OCF 2cb07ab3f42ff5b75f05d30a7361e5f9 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.4 CC1COCCN1CC=O c485fb8942bd67c219c356f61506ec71 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.4 CCNC1CCCCC1C 0a6a67710a04d0a4019e93d8f358beef [0,1,0,0,0,0|2,0,1]=4 137 B10R1.4 CCNC1CCCCC1O cab70b0d7048631dfdcbfe71841f0fdb [0,1,0,0,0,0|2,0,1]=4 138 B10R1.4 CCN[C@@H]1CCCC[C@@H]1C e1838a3dfce1be8774030cb38cadc8a8 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.4 CCN[C@@H]1CCCC[C@H]1C 615764c975ae11d6bfe89a970bd051eb [0,1,0,0,0,0|2,0,1]=4 140 B10R1.4 CCN[C@@H]1CCCC[C@H]1O 3560f2039731995ef233caf22329f344 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.4 CCN[C@H]1CCCC[C@@H]1C be0f57ee3e667adc7604c643c6c81280 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.4 CCN[C@H]1CCCC[C@@H]1O f5999981aedc57da02406a7fea523d0c [0,1,0,0,0,0|2,0,1]=4 143 B10R1.4 CCN[C@H]1CCCC[C@H]1C fc338e738c022c0d4e1728f6dd42fc12 [0,1,0,0,0,0|2,0,1]=4 144 B10R1.4 CCN[C@H]1CCCC[C@H]1O 82496c56f17d72e49ca2b5b4b02bb9b0 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.4 CCOC1CCCCC1=O 507ef4f19e89191dc15f42fb27f687ef [0,1,0,0,0,0|1,0,2]=4 146 B10R1.4 CCOC1CCCCC1C 98a98ba096ca8cc7e27c67a7da40ad7b [0,1,0,0,0,0|1,0,1]=3 147 B10R1.4 CCOC1CCCCC1F 079d4f9d37c5ce8da3be8df805e7ccac [0,1,0,0,0,0|1,0,1]=3 148 B10R1.4 CCOC1CCOCC1C 4465e9ba3cf6422ff58321c48dabda27 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.4 CCOC1CCOCC1F 67769755b2a427354a2f86f3b75f1221 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.4 CCO[C@@H]1CCCC[C@@H]1C 83d8c0bfbcf5371da8c218bad9c586f9 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.4 CCO[C@@H]1CCCC[C@H]1F b305ec38a4fc4688a7a568327f40ca75 [0,1,0,0,0,0|1,0,1]=3 152 B10R1.4 CCO[C@@H]1CCOC[C@@H]1F ccd9c7909d0eeae93c06bc3d92f2d3a1 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.4 CCO[C@H]1CCCC[C@@H]1C ec4e8495974299370fc90a30a76e8186 [0,1,0,0,0,0|1,0,1]=3 154 B10R1.4 CCO[C@H]1CCCC[C@H]1C 4418bd5b72dfb837aa581fefe48f6627 [0,1,0,0,0,0|1,0,1]=3 155 B10R1.4 CCO[C@H]1CCOC[C@@H]1F 500c7a21191ef6ae51d3245c909a0ba2 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.4 CCO[C@H]1CCOC[C@H]1F d900847b430c19eee2d9940e18b30f8a [0,1,0,0,0,0|2,0,1]=4 157 B10R1.4 C[C@@H]1CCCCN1CC=O 814ac02c18c447f025bc8aee73a1045b [0,1,0,0,0,0|2,0,0]=3 158 B10R1.4 C[C@@H]1CCCC[C@@H]1NC#N 706e4f296e0b1f4d05ae47c7dadff869 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.4 C[C@@H]1CCCC[C@@H]1NC=O cdefab676ed956f0f985e780591b60ff [0,1,0,0,0,0|1,0,0]=2 160 B10R1.4 C[C@@H]1CCCC[C@@H]1NCF 6832fb905fd4eedd8b65eba105fed913 [0,1,0,0,0,0|2,0,1]=4 161 B10R1.4 C[C@@H]1CCCC[C@@H]1NCO a4d87bc2ba663c2c22190ee043a4215e [0,1,0,0,0,0|1,0,2]=4 162 B10R1.4 C[C@@H]1CCCC[C@@H]1OCF e6622b115f3f5e4b50d4679b00ee05c9 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.4 C[C@@H]1CCCC[C@H]1NC=O f829a42871a4ab0b9776c06cd36de92b [0,1,0,0,0,0|1,0,0]=2 164 B10R1.4 C[C@@H]1CCCC[C@H]1NCF c87f9c730f9d0b0e5088a02ac21728b6 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.4 C[C@@H]1CCCC[C@H]1NCO 56b4e705fd3b60b2a3c805aa24d7fe72 [0,1,0,0,0,0|1,0,2]=4 166 B10R1.4 C[C@@H]1COCCN1CC=O 74fb3ad857d8c31265ce250caa1137a1 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.4 C[C@@H]1COCC[C@@H]1NC=O f613fcb1f0d6a78255ce26c87f49227f [0,1,0,0,0,0|2,0,0]=3 168 B10R1.4 C[C@H]1CCCCN1CC=O 6f5ce6f7d96182cae349a65a68bdd503 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.4 C[C@H]1CCCC[C@@H]1NC=O 6df21a0e3e8e89c2bca8e0d82625af9a [0,1,0,0,0,0|1,0,0]=2 170 B10R1.4 C[C@H]1CCCC[C@@H]1NCF 6e9a6379be28e88d50fc87d2047af611 [0,1,0,0,0,0|2,0,1]=4 171 B10R1.4 C[C@H]1CCCC[C@@H]1NCO 9d6cffdfc5461680a7cea39bff264e8c [0,1,0,0,0,0|1,0,2]=4 172 B10R1.4 C[C@H]1CCCC[C@@H]1OCF b3be85fd90b5dac4d2f889f15d005f32 [0,1,0,0,0,0|1,0,1]=3 173 B10R1.4 C[C@H]1CCCC[C@H]1NC=O 19f2468f008fbcdafda27b73fe3a043b [0,1,0,0,0,0|1,0,0]=2 174 B10R1.4 C[C@H]1CCCC[C@H]1NCF c6a75ed3985b8d13901e64c1a3b1e927 [0,1,0,0,0,0|2,0,1]=4 175 B10R1.4 C[C@H]1CCCC[C@H]1NCO d35300c898e379f4d6863cf745c3f218 [0,1,0,0,0,0|1,0,2]=4 176 B10R1.4 C[C@H]1CCCC[C@H]1OCF 203bd5f17e23a87bab63c93749399803 [0,1,0,0,0,0|1,0,1]=3 177 B10R1.4 C[C@H]1COCCN1CC=O d46688eae822bc3347294045117cf2b9 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.4 C[C@H]1COCC[C@H]1NC=O 3b7059746f26d4957fc75c154d87da13 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.4 FCOC1CCCCC1F 27ad66f283b44033373741514effc477 [0,1,0,0,0,0|1,0,1]=3 180 B10R1.4 FCOC1CCOCC1F ae019f3aabd6ac51f4476cfa1be51fe1 [0,1,0,0,0,0|2,0,1]=4 181 B10R1.4 FCO[C@@H]1CCCC[C@H]1F 7b32a8eb4786d082c22c7e9938197fbc [0,1,0,0,0,0|1,0,1]=3 182 B10R1.4 FCO[C@@H]1CCOC[C@@H]1F 46af6f110b96673b6e8e87a3e49e06c1 [0,1,0,0,0,0|2,0,1]=4 183 B10R1.4 FCO[C@H]1CCOC[C@@H]1F 761e2eb3d673ccc8e9d867b469c52446 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.4 FCO[C@H]1CCOC[C@H]1F 6a8376aaf54a2d021ec79eafde956213 [0,1,0,0,0,0|2,0,1]=4 185 B10R1.4 N#CNC1CCCCC1F e341391be56dfb6a51d46f15056d4d94 [0,1,0,0,0,0|2,0,1]=4 186 B10R1.4 N#CNC1CCCCC1O 9dca53906ca1277fed23ec8e1c7b0d92 [0,1,0,0,0,0|2,0,1]=4 187 B10R1.4 N#CN[C@H]1CCCC[C@@H]1O 138b381def81641166e1a0f3dfd6e817 [0,1,0,0,0,0|2,0,1]=4 188 B10R1.4 O=C1CCCCC1OCF 935910af5320d7ec6c2da0e4043d7c6e [0,1,0,0,0,0|1,0,2]=4 189 B10R1.4 O=CNC1CCCCC1O 46bda5886d88e8065e368663d2c5be75 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.4 O=CNC1CCCNC1=O f6da1c43bc5339f63cfaf3dde1207f77 [0,1,0,0,0,0|2,0,1]=4 191 B10R1.4 O=CNC1CCOCC1O 246d786b36731d7c51ccfadeb3a1c9af [0,1,0,0,0,0|2,0,0]=3 192 B10R1.4 O=CN[C@@H]1CCCC[C@H]1O 9d71346f39b74c0cfa11467ab3235ecb [0,1,0,0,0,0|1,0,0]=2 193 B10R1.4 O=CN[C@@H]1CCCNC1=O d36bb1e3b45a60044b3e2d218ef043dc [0,1,0,0,0,0|2,0,1]=4 194 B10R1.4 O=CN[C@@H]1CCOC[C@@H]1O cbf246cb1972690c8b54600ab89aeda9 [0,1,0,0,0,0|2,0,0]=3 195 B10R1.4 O=CN[C@@H]1CCOC[C@H]1F 9f7eac65772ad2f60f58d978542871cc [0,1,0,0,0,0|2,0,0]=3 196 B10R1.4 O=CN[C@@H]1CCOC[C@H]1O 910a06c9853ca83c178fb7af66b6041a [0,1,0,0,0,0|2,0,0]=3 197 B10R1.4 O=CN[C@@H]1COCC[C@@H]1O 9e6969a9f7c0dbe858af40b76d840a5c [0,1,0,0,0,0|2,0,0]=3 198 B10R1.4 O=CN[C@@H]1COCC[C@H]1O 13adbf2a194ca8b95e2bcd23a8474329 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.4 O=CN[C@H]1CCCC[C@@H]1O ce7a4a88b8ea8da974f5fc6ab27eddb1 [0,1,0,0,0,0|1,0,0]=2 200 B10R1.4 O=CN[C@H]1CCCC[C@H]1O dc7e156f231681c664af73762de81a75 [0,1,0,0,0,0|1,0,0]=2 201 B10R1.4 O=CN[C@H]1CCCNC1=O 682fc0196eae394c213d9a64f5b4cf6e [0,1,0,0,0,0|2,0,1]=4 202 B10R1.4 O=CN[C@H]1CCOC[C@@H]1F ec042a9d7324c15237f31596caf874db [0,1,0,0,0,0|2,0,0]=3 203 B10R1.4 O=CN[C@H]1CCOC[C@@H]1O 58622511a1aa1fe4244dbb18789c04d7 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.4 O=CN[C@H]1CCOC[C@H]1O 4b4ef1434ab78d2fe5f5dc0bd83b2d88 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.4 O=CN[C@H]1COCC[C@@H]1O 0f039aebf149a7a6422336bafc0a6e1e [0,1,0,0,0,0|2,0,0]=3 206 B10R1.4 O=CN[C@H]1COCC[C@H]1O 4d9e5bb3092df038627ab9a4d2705922 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.4 OC1CCCCC1NCF 92a08a2ba7260b2aa796de00448fb00c [0,1,0,0,0,0|2,0,1]=4 208 B10R1.4 OCNC1CCCCC1O 595b745144ff32eb590c970e40514cda [0,1,0,0,0,0|1,0,2]=4 209 B10R1.4 OCN[C@@H]1CCCC[C@H]1O 6f8ac798d0a969431a848e04db98f6eb [0,1,0,0,0,0|1,0,2]=4 210 B10R1.4 OCN[C@H]1CCCC[C@@H]1O 28c1c80a9faf75b65a89e1aae68beb6c [0,1,0,0,0,0|1,0,2]=4 211 B10R1.4 OCN[C@H]1CCCC[C@H]1O 8feedab2a6b93345f6e579047afc214b [0,1,0,0,0,0|1,0,2]=4 212 B10R1.4 O[C@@H]1CCCC[C@@H]1NCF 1c93d3ea5e453430a5825eb1b465d604 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.4 O[C@@H]1CCCC[C@H]1NCF c4bdacda855850fa04c675ba4822417d [0,1,0,0,0,0|2,0,1]=4 214 B10R1.4 O[C@H]1CCCC[C@@H]1NCF 8030dca2dfbd9539f39e785dcc2baee6 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.10 C=CCN1CCCC(C1)C ec067262f3f4afde97dcd22b3b2f0ea0 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.10 C=CCN1CCCC(C1)F a2059e386fb62701294c598446fd6288 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.10 C=CCN1CCCC(C1)O e7ba19e8b4b634b6e8b2ac154e605a8e [0,1,0,0,0,0|3,0,0]=4 218 B10R1.10 C=CCN1CCC[C@@H](C1)C ea65ec47e239ecd79f6d4c8b23f87f01 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.10 C=CCN1CCC[C@@H](C1)F 8ca33a2858263ae38e882e342881335c [0,1,0,0,0,0|3,0,0]=4 220 B10R1.10 C=CCN1CCC[C@@H](C1)O 6e9f39d83c24811743db0d05b8dc63e2 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.10 C=CCN1CCC[C@H](C1)C c777c0295f899c88258a9ce18d129edf [0,1,0,0,0,0|3,0,0]=4 222 B10R1.10 C=CCN1CCC[C@H](C1)F 1313f5d2c5cc380535e35d2335a595ea [0,1,0,0,0,0|3,0,0]=4 223 B10R1.10 C=CCN1CCC[C@H](C1)O bcb3c96d074c13c106ca9a25d8c4a6b4 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.10 CC1CC(CCO1)NC=O c7bcfd7524476396c24b1f526ff5629c [0,1,0,0,0,0|2,0,0]=3 225 B10R1.10 CC1CC(CCO1)OCF 23db4e2e87cff1a153177f6d9328446a [0,1,0,0,0,0|2,0,1]=4 226 B10R1.10 CC1CCCC(C1)NC=O a17cbd4e3036778885ce3068174816a1 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.10 CC1CCCC(C1)NCF 3a585411dc52b2db016103bbb5bbb45f [0,1,0,0,0,0|2,0,1]=4 228 B10R1.10 CC1CCCC(C1)NCO 5b990827fa9fea6446790d320ee857b3 [0,1,0,0,0,0|1,0,2]=4 229 B10R1.10 CC1CCCC(C1)OCF ee42c01f55e35e9a46ba40b0962955f9 [0,1,0,0,0,0|1,0,1]=3 230 B10R1.10 CC1CCCN(C1)CC=O d9fa3f7f2e4956f00565cdd1d0a6c0b8 [0,1,0,0,0,0|2,0,0]=3 231 B10R1.10 CC1CN(CCO1)CC=O 602ff319c6f01c1227f58f2744b59224 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.10 CCNC1CCCC(C1)C 77f1f79b4adaf95ab4b9ef12620388b0 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.10 CCNC1CCCC(C1)O 113e722fc1e449e3e54ccf67b4ce78a7 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.10 CCN[C@@H]1CCC[C@@H](C1)O 7f9bb0b6d56b12bb66d83f760d316ab1 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.10 CCN[C@@H]1CCC[C@H](C1)C b54432e71e2a2bf8bdf4246e5c24a915 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.10 CCN[C@@H]1CCC[C@H](C1)O 396290b6b5db7e9cb63a3fcf9b0c183b [0,1,0,0,0,0|2,0,1]=4 237 B10R1.10 CCN[C@H]1CCC[C@@H](C1)O 79d8666b7770f893e752839182a97ad1 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.10 CCN[C@H]1CCC[C@H](C1)O 5b66beda661cb9accdacd389931ec98f [0,1,0,0,0,0|2,0,1]=4 239 B10R1.10 CCOC1CCCC(=O)C1 7694e8ef5c808ba4dfd648fc2fdd5673 [0,1,0,0,0,0|1,0,2]=4 240 B10R1.10 CCOC1CCCC(C1)C 05d0af7621eacccee87006fe3e417b13 [0,1,0,0,0,0|1,0,1]=3 241 B10R1.10 CCOC1CCCN(C1)C 7fac3ee0c7265cd3dee0d6def2acf995 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.10 CCOC1CCOC(C1)C 4995be4c683a8fc0b22c6d7c934af05f [0,1,0,0,0,0|2,0,1]=4 243 B10R1.10 CCO[C@@H]1CCCN(C1)C 8792e0ec2d00de10f4fb5369bf62dbd8 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.10 CCO[C@@H]1CCC[C@@H](C1)C ce55d21559242a12587fb793cf17f8c8 [0,1,0,0,0,0|1,0,1]=3 245 B10R1.10 CCO[C@@H]1CCO[C@@H](C1)C 1f09d7291ca66f49d47f3c20ef5062e9 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.10 CCO[C@@H]1CCO[C@H](C1)C 379686bf7b276e155f68e113ba0aedb8 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.10 CCO[C@H]1CCCN(C1)C dc6a0d691a196305da622e2d54e468fe [0,1,0,0,0,0|2,0,1]=4 248 B10R1.10 CCO[C@H]1CCC[C@@H](C1)C 39c7f1f81843ee831419d80230008049 [0,1,0,0,0,0|1,0,1]=3 249 B10R1.10 CCO[C@H]1CCC[C@H](C1)C c3bbffbe08f75b723c5a87fe9bd00adc [0,1,0,0,0,0|1,0,1]=3 250 B10R1.10 CCO[C@H]1CCO[C@@H](C1)C fc3ea2ca42162b22b37fe3ace5558969 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.10 CCO[C@H]1CCO[C@H](C1)C 5839222d06d24eb14355e03cc9a74f91 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.10 CN1CCCC(C1)OCF a41355185de23693231d10dd3314a382 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.10 CN1CCC[C@@H](C1)OCF 7d7b78691af2225b5d9adf493e3f3f2d [0,1,0,0,0,0|2,0,1]=4 254 B10R1.10 CN1CCC[C@H](C1)OCF 53fb15ceeed817b2752a59cc27f9f66b [0,1,0,0,0,0|2,0,1]=4 255 B10R1.10 C[C@@H]1CCCN(C1)CC=O b86b114d3af9a694a07458e5e4aa562b [0,1,0,0,0,0|2,0,0]=3 256 B10R1.10 C[C@@H]1CCC[C@@H](C1)OCF 81bb9715deaae3cbc92a9e1504fe0c1c [0,1,0,0,0,0|1,0,1]=3 257 B10R1.10 C[C@@H]1CCC[C@H](C1)NC=O 6f39176ec4d5e01852d746d6dbd970d4 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.10 C[C@@H]1CCC[C@H](C1)NCF 40b2f07b0b83e2e23e28dfa98670612b [0,1,0,0,0,0|2,0,1]=4 259 B10R1.10 C[C@@H]1CCC[C@H](C1)NCO 0141010beb818bcf4396f3fc169829fc [0,1,0,0,0,0|1,0,2]=4 260 B10R1.10 C[C@@H]1CN(CCO1)CC=O dbfc8abfec2d8df0b3bb264d1bb4ed4b [0,1,0,0,0,0|3,0,0]=4 261 B10R1.10 C[C@@H]1C[C@@H](CCO1)NC=O e664930704097e37968ab84b33ff0ada [0,1,0,0,0,0|2,0,0]=3 262 B10R1.10 C[C@@H]1C[C@@H](CCO1)OCF 78f1ff9a6b9a5e63f6824c6e822f61e7 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.10 C[C@@H]1C[C@H](CCO1)NC=O a06ca4084ced461924de5f48b6f078f6 [0,1,0,0,0,0|2,0,0]=3 264 B10R1.10 C[C@@H]1C[C@H](CCO1)OCF 9477be1db38586a4ccec1d645c0c8e6c [0,1,0,0,0,0|2,0,1]=4 265 B10R1.10 C[C@H]1CCCN(C1)CC=O 162c9ac6ba03ec25d91f62b0932e7148 [0,1,0,0,0,0|2,0,0]=3 266 B10R1.10 C[C@H]1CCC[C@@H](C1)OCF bbbcaf6195e1239bf9227a22fb623886 [0,1,0,0,0,0|1,0,1]=3 267 B10R1.10 C[C@H]1CCC[C@H](C1)OCF 36d2c58f8018d103e578ffcb512be0bc [0,1,0,0,0,0|1,0,1]=3 268 B10R1.10 C[C@H]1CN(CCO1)CC=O 3d530be17fda5edbf2fd89f82505a5a8 [0,1,0,0,0,0|3,0,0]=4 269 B10R1.10 C[C@H]1C[C@@H](CCO1)NC=O fa37c8a57a26750c8e7f06650d6f57c0 [0,1,0,0,0,0|2,0,0]=3 270 B10R1.10 C[C@H]1C[C@@H](CCO1)OCF 619142df144bc539735fce9ac5823e4f [0,1,0,0,0,0|2,0,1]=4 271 B10R1.10 C[C@H]1C[C@H](CCO1)NC=O 0f313ccbd6319e50063f96e2171144bf [0,1,0,0,0,0|2,0,0]=3 272 B10R1.10 C[C@H]1C[C@H](CCO1)OCF 636d22864e95592b64852bf51a6ef18e [0,1,0,0,0,0|2,0,1]=4 273 B10R1.10 O=C1CCCC(C1)OCF 3ef4074d9d8cde512776f61233cdd122 [0,1,0,0,0,0|1,0,2]=4 274 B10R1.10 O=CCN1CCCC(=O)C1 c4b9600e4614d8322ef72d868498cfe4 [0,1,0,0,0,0|2,0,1]=4 275 B10R1.10 O=CCN1CCCC(C1)F 5dc7e1b75d75755d41eac602ca32cceb [0,1,0,0,0,0|2,0,0]=3 276 B10R1.10 O=CCN1CCCC(C1)O 8254680454cd1053f35d938e118c657f [0,1,0,0,0,0|2,0,0]=3 277 B10R1.10 O=CCN1CCC[C@@H](C1)F 8d9fd0d39761ef0663af46cedcecde03 [0,1,0,0,0,0|2,0,0]=3 278 B10R1.10 O=CCN1CCC[C@@H](C1)O 573838c28f87425f300a1f5d52196fde [0,1,0,0,0,0|2,0,0]=3 279 B10R1.10 O=CCN1CCC[C@H](C1)F b4a4b47977f583ffdbfce59e9e25fbcd [0,1,0,0,0,0|2,0,0]=3 280 B10R1.10 O=CCN1CCC[C@H](C1)O 1471afae81ffc2f8a2808598eede4d50 [0,1,0,0,0,0|2,0,0]=3 281 B10R1.10 O=CNC1CCCC(C1)O be289b67b44feff11a16be8f83687208 [0,1,0,0,0,0|1,0,0]=2 282 B10R1.10 O=CNC1CCNC(=O)C1 d47a9ff12078ea45926ce99e6dc19669 [0,1,0,0,0,0|2,0,1]=4 283 B10R1.10 O=CNC1COCC(C1)O 8493356be03a7025816782c83ef32635 [0,1,0,0,0,0|2,0,0]=3 284 B10R1.10 O=CN[C@@H]1CCC[C@@H](C1)O 80de9e33010ceb3e9e383f0de5dd8037 [0,1,0,0,0,0|1,0,0]=2 285 B10R1.10 O=CN[C@@H]1CCC[C@H](C1)O 0a4e567a3dea037b8cbf40b1b45f85a9 [0,1,0,0,0,0|1,0,0]=2 286 B10R1.10 O=CN[C@@H]1CCNC(=O)C1 939e0de9e707ac9fd7ff5b73a3d70f40 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.10 O=CN[C@@H]1COC[C@@H](C1)O 35880bd5bdabe5d36271592b2d6e556e [0,1,0,0,0,0|2,0,0]=3 288 B10R1.10 O=CN[C@H]1CCC[C@@H](C1)O 194e997088c52158a934d22d39f37a2a [0,1,0,0,0,0|1,0,0]=2 289 B10R1.10 O=CN[C@H]1CCC[C@H](C1)O 8faf5308afd82ed307b9535e7d0477e8 [0,1,0,0,0,0|1,0,0]=2 290 B10R1.10 O=CN[C@H]1CCNC(=O)C1 352532a44c9585014214a6f948f5ade2 [0,1,0,0,0,0|2,0,1]=4 291 B10R1.10 O=CN[C@H]1COC[C@H](C1)O d1365299c8dfb87e92059a4154ddf9ec [0,1,0,0,0,0|2,0,0]=3 292 B10R1.10 OC1CCCC(C1)NCF 8a745a6d70ab94cc540c9679db0a760c [0,1,0,0,0,0|2,0,1]=4 293 B10R1.10 OCNC1CCCC(C1)O c242f1fcf5b733230ae6c14c936017b4 [0,1,0,0,0,0|1,0,2]=4 294 B10R1.10 OCN[C@@H]1CCC[C@@H](C1)O 2715cc509d59e00e7158a0f3effd79e5 [0,1,0,0,0,0|1,0,2]=4 295 B10R1.10 OCN[C@@H]1CCC[C@H](C1)O 29b5d367f68c7c22f2925e4a466996a0 [0,1,0,0,0,0|1,0,2]=4 296 B10R1.10 OCN[C@H]1CCC[C@@H](C1)O 725152d27935eb8ad0a4918c5ba21ba4 [0,1,0,0,0,0|1,0,2]=4 297 B10R1.10 OCN[C@H]1CCC[C@H](C1)O c77145f28c5be1778489ce317c2759c7 [0,1,0,0,0,0|1,0,2]=4 298 B10R1.10 O[C@@H]1CCC[C@@H](C1)NCF 6a7c7b5690f770f5f6e1688d5c0c73d4 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.10 O[C@@H]1CCC[C@H](C1)NCF 70fad0b4c77fcbd7d0261473720fb421 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.10 O[C@H]1CCC[C@@H](C1)NCF 10ddf1c30cda850d1b9feb2799bb9d2f [0,1,0,0,0,0|2,0,1]=4 301 B10R1.10 O[C@H]1CCC[C@H](C1)NCF 5f97eb2e97a969091f1ed985f89dfa4c [0,1,0,0,0,0|2,0,1]=4 302 B10R1.15 CC(C=O)N1CCCOC1 fbf79b2a08c3bac87bb769747eb6cd8d [0,1,0,0,0,0|3,0,0]=4 303 B10R1.15 CC(C=O)N1CCCSC1 01b3370f89000c75fea3c499bd647204 [0,1,0,0,0,0|3,0,0]=4 304 B10R1.15 CC(C=O)N1CCOCC1 351b845173f6ca6677b12d5430488e8b [0,1,0,0,0,0|3,0,0]=4 305 B10R1.15 CC(C=O)N1CCSCC1 3dc4fbb9fff66787743a591a27cc9af6 [0,1,0,0,0,0|3,0,0]=4 306 B10R1.15 CCN(C)C1CCCCC1 0b02e5f627653026e48ece3dd417af37 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.15 CN(C=O)C1CCCOC1 18e0d09f637d92745b07bf4892800333 [0,1,0,0,0,0|2,0,0]=3 308 B10R1.15 CN(CF)C1CCCCC1 9e533a33b076f85bde0aec74cbc5d68b [0,1,0,0,0,0|2,0,1]=4 309 B10R1.15 CN(CO)C1CCCCC1 24e331bb88e9b558829ad076fb21a36d [0,1,0,0,0,0|1,0,2]=4 310 B10R1.15 C[C@H](C=O)N1CCCOC1 16dae4db1482ae73f1d7e5b7edabe266 [0,1,0,0,0,0|3,0,0]=4 311 B10R1.15 C[C@H](C=O)N1CCCSC1 bcd6350f4addcd29debd1df7f27e0cad [0,1,0,0,0,0|3,0,0]=4 312 B10R1.15 C[C@H](C=O)N1CCOCC1 e22f5100998951f1a1fe7f128868fa98 [0,1,0,0,0,0|3,0,0]=4 313 B10R1.15 C[C@H](C=O)N1CCSCC1 e33691c1c1cf0e67f74d2761ef4e21d0 [0,1,0,0,0,0|3,0,0]=4 314 B10R1.15 O=CC(=O)N1CCCOC1 258c59b6767ba2f65e1091e1fdc143cc [0,1,0,0,0,0|3,0,0]=4 315 B10R1.15 O=CC(=O)N1CCCSC1 f358d5341e50f4b793bf275de51054ac [0,1,0,0,0,0|3,0,0]=4 316 B10R1.15 O=CC(=O)N1CCOCC1 f941c1c23a23c257dbdfb58a336e0a58 [0,1,0,0,0,0|3,0,0]=4 317 B10R1.15 O=CC(=O)N1CCSCC1 fdc9a2e57991d4e9f00aa80430cd1432 [0,1,0,0,0,0|3,0,0]=4 318 B10R1.17 BrCCNC1CCCCC1 8fdbf04547ed3edb0f6464bb861e6ead [0,1,0,0,0,0|2,0,1]=4 319 B10R1.17 C#CCNC1CCCCC1 d7c254352257bd4825f0f8911ad031a4 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.17 C#CCOC1CCCCC1 678f6f90e3660d2aa8b3759e04bcb6a8 [0,1,0,0,0,0|1,0,1]=3 321 B10R1.17 C#CCOC1CCCCO1 30acdd7d7b02c33bfa2bde69942f7e99 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.17 C#CCOC1CCCOC1 41afdaa18bb85fdbf48b7c3e9202a5e1 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.17 C#CCOC1CCCSC1 a1a9d7b6965f9914889f0eebca3031a3 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.17 C#CCOC1CCOCC1 7f5fd393736d9720b731d3b4eff5216e [0,1,0,0,0,0|2,0,1]=4 325 B10R1.17 C#CCOC1CCSCC1 148045389bfe24059a44cb31c371cf22 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.17 C#CCO[C@@H]1CCCOC1 031ea39f64c7345473123319016024fc [0,1,0,0,0,0|2,0,1]=4 327 B10R1.17 C#CCO[C@H]1CCCOC1 bf3445faabec2ce288d46d6b072f180d [0,1,0,0,0,0|2,0,1]=4 328 B10R1.17 C=CCNC1CCCOC1 b2b4af0705e6633768dcd11599af5733 [0,1,0,0,0,0|3,0,0]=4 329 B10R1.17 C=CCNC1CCOCC1 dfa490e7023788124604c31ac26c4748 [0,1,0,0,0,0|3,0,0]=4 330 B10R1.17 C=CCNC1CCSCC1 c61924c9c667c54e864c98e1832f6723 [0,1,0,0,0,0|3,0,0]=4 331 B10R1.17 C=CCN[C@@H]1CCCOC1 598a5a75a3085ce330ca873f1cdad5a8 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.17 C=CCN[C@H]1CCCOC1 163788733eabe0576d0f81ea9d5c26c3 [0,1,0,0,0,0|3,0,0]=4 333 B10R1.17 C=CCOC1C=CCCC1 bad57268d0b1789e9369d0ccf542d79e [0,1,0,0,0,0|1,0,2]=4 334 B10R1.17 C=CCOC1CC=CCC1 7b2d1fdb682762a0c94b6718be0e783b [0,1,0,0,0,0|1,0,2]=4 335 B10R1.17 C=CCOC1CCCCC1 60bb50b2a57d8626acce7d1b397f2204 [0,1,0,0,0,0|1,0,0]=2 336 B10R1.17 C=CCOC1CCCCO1 ff6f6124114c4fad2d3406c15e7cf0de [0,1,0,0,0,0|2,0,0]=3 337 B10R1.17 C=CCOC1CCCOC1 2857b0bec84a791877bb7df65af1ef56 [0,1,0,0,0,0|2,0,0]=3 338 B10R1.17 C=CCOC1CCCSC1 574e2fcc335aeed9af3f69d666fe064b [0,1,0,0,0,0|2,0,0]=3 339 B10R1.17 C=CCOC1CCOCC1 38f0fda1f75d1ffd76c6da7704ccd138 [0,1,0,0,0,0|2,0,0]=3 340 B10R1.17 C=CCOC1CCSCC1 da77c2e6fe243419ee0cc69004b35784 [0,1,0,0,0,0|2,0,0]=3 341 B10R1.17 C=CCO[C@@H]1CCCOC1 7420b7c2ca2092607de63f3c30db8b51 [0,1,0,0,0,0|2,0,0]=3 342 B10R1.17 C=CCO[C@H]1CCCOC1 91d91d3d80e065716120a1af7b7ac1d4 [0,1,0,0,0,0|2,0,0]=3 343 B10R1.17 CCCNC1CCCCC1 116c9b71b1a196b91e387ed3e22d47e2 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.17 CCCOC1CCCCC1 a5977ebc84c522370a3bc5745fd0df69 [0,1,0,0,0,0|1,0,1]=3 345 B10R1.17 CCCOC1CCCCO1 e032b365203d5e61206393eed2791d41 [0,1,0,0,0,0|2,0,1]=4 346 B10R1.17 CCCOC1CCCOC1 28e12bcfd8e15b8340b0e298f13c2df4 [0,1,0,0,0,0|2,0,1]=4 347 B10R1.17 CCCOC1CCCSC1 ca37164237c2ca7855212eeba91ebe49 [0,1,0,0,0,0|2,0,1]=4 348 B10R1.17 CCCOC1CCOCC1 bb8bcf542005b3c5a0c4939cca6ce87a [0,1,0,0,0,0|2,0,1]=4 349 B10R1.17 CCCOC1CCSCC1 4081d7c400995ebde4b11bb2d95114df [0,1,0,0,0,0|2,0,1]=4 350 B10R1.17 CCCO[C@@H]1CCCOC1 a25161b5f353e59347a4869c9737c377 [0,1,0,0,0,0|2,0,1]=4 351 B10R1.17 CCCO[C@H]1CCCOC1 225b9f18238a9863ae2ba931a7c357d6 [0,1,0,0,0,0|2,0,1]=4 352 B10R1.17 CCNCC1CCCCC1 542a60293f152ecf14a309cd5653059e [0,1,0,0,0,0|2,0,1]=4 353 B10R1.17 CCOCC1CCCCC1 add8761bc60b25837d77d4bb73a33c8e [0,1,0,0,0,0|1,0,1]=3 354 B10R1.17 CCOCC1CCCCO1 70b872ce90931f873adb4dae986b77a3 [0,1,0,0,0,0|2,0,1]=4 355 B10R1.17 CCOCC1CCCOC1 540bf39e3fa305acb7a57a6c3c3cbf11 [0,1,0,0,0,0|2,0,1]=4 356 B10R1.17 CCOCC1CCOCC1 bc843b7d36526ade76de306c1a5c99bf [0,1,0,0,0,0|2,0,1]=4 357 B10R1.17 CCOCC1CCSCC1 b3ed29957cd906e1c476455adb2741a8 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.17 CCOC[C@@H]1CCCCO1 82c130a20690fc6ae68b7469dbf8abb1 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.17 CCOC[C@@H]1CCCOC1 948b0225f1ff7d3d4fd885631f934d01 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.17 CCOC[C@H]1CCCCO1 737be79825146caaab66eb293128d258 [0,1,0,0,0,0|2,0,1]=4 361 B10R1.17 CCOC[C@H]1CCCOC1 51faa9aa4bfc0939a2177fe752fe9388 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.17 COCOC1CCCCC1 aa4f42d6f5f36c6410d8a31d3ec6c1a1 [0,1,0,0,0,0|0,0,2]=3 363 B10R1.17 COCOC1CCCCO1 bfd1265fdda37d180d853435483f6dc4 [0,1,0,0,0,0|1,0,2]=4 364 B10R1.17 COCOC1CCCOC1 f0798db40057fa46ae5cf93ab8a270b6 [0,1,0,0,0,0|1,0,2]=4 365 B10R1.17 COCOC1CCCSC1 170f15a5674ad408aa4a1b14cbdef809 [0,1,0,0,0,0|1,0,2]=4 366 B10R1.17 COCOC1CCOCC1 03c67131ba63281c08d8fdbb636ad47c [0,1,0,0,0,0|1,0,2]=4 367 B10R1.17 COCOC1CCSCC1 76a44e7ae8581a362f1d64cca9cb8acd [0,1,0,0,0,0|1,0,2]=4 368 B10R1.17 COCO[C@@H]1CCCOC1 755d6978bdf567a4bb44c433a528ede3 [0,1,0,0,0,0|1,0,2]=4 369 B10R1.17 COCO[C@H]1CCCOC1 df31de056fc24228469ce6bb204dc397 [0,1,0,0,0,0|1,0,2]=4 370 B10R1.17 CSCOC1CCCCC1 78f5559130ba9dc39e0f4eb05b8b871b [0,1,0,0,0,0|0,1,1]=3 371 B10R1.17 CSCOC1CCCCO1 ece85fc6aa9195b286c5442b5992399e [0,1,0,0,0,0|1,1,1]=4 372 B10R1.17 CSCOC1CCCOC1 157d13dd8dcdd9784036ef1a630693e1 [0,1,0,0,0,0|1,1,1]=4 373 B10R1.17 CSCOC1CCCSC1 bf4303f778b9f09249a79d127961250d [0,1,0,0,0,0|1,1,1]=4 374 B10R1.17 CSCOC1CCOCC1 34b469ab14802d8e2af34c8e19268340 [0,1,0,0,0,0|1,1,1]=4 375 B10R1.17 CSCOC1CCSCC1 8222824de001decca933363b72c9d456 [0,1,0,0,0,0|1,1,1]=4 376 B10R1.17 CSCO[C@@H]1CCCOC1 b140173149e3e0bff1c5fefffcd46646 [0,1,0,0,0,0|1,1,1]=4 377 B10R1.17 CSCO[C@H]1CCCOC1 289aa059785d2fa8d8f16ef482c89f25 [0,1,0,0,0,0|1,1,1]=4 378 B10R1.17 FCCNC1CCCCC1 d09cb7c8791d8763606ab91eed16a2b4 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.17 FCCOC1CCCCC1 df1bd689063f4e026df30e2e086ef822 [0,1,0,0,0,0|1,0,1]=3 380 B10R1.17 FCCOC1CCCCO1 a4c1ee307a6793b413ced1eb7200c131 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.17 FCCOC1CCCOC1 5a5ea734d977001086dc90bb54b1a1b0 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.17 FCCOC1CCCSC1 5c1dffd0f84c293007ee953d87cf77e2 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.17 FCCOC1CCOCC1 73fa0a7e74c398ef417d8db8b17da99b [0,1,0,0,0,0|2,0,1]=4 384 B10R1.17 FCCOC1CCSCC1 a31aaf2bcf622fc49810d01746771240 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.17 FCCO[C@@H]1CCCOC1 b2c757d45e661d7b6d22c279aa9a785e [0,1,0,0,0,0|2,0,1]=4 386 B10R1.17 FCCO[C@H]1CCCOC1 fa15894500fb095cb4894880c543c96e [0,1,0,0,0,0|2,0,1]=4 387 B10R1.17 FCNCC1CCCCC1 f7d98a6eed523a6f2bb56b607a9c2a21 [0,1,0,0,0,0|2,0,1]=4 388 B10R1.17 FCOCC1CCCCC1 3c5de1a231fe0982e32f3887259c2808 [0,1,0,0,0,0|1,0,1]=3 389 B10R1.17 FCOCC1CCCCO1 91ac82775f0bb38aa635369457ad089e [0,1,0,0,0,0|2,0,1]=4 390 B10R1.17 FCOCC1CCCOC1 28a4608583135a0aaea425889cb89875 [0,1,0,0,0,0|2,0,1]=4 391 B10R1.17 FCOCC1CCOCC1 8c3acfdf55f1c87f04f2b4e15e5f90f8 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.17 FCOCC1CCSCC1 f3090dca65baf3360095d855e439d8e2 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.17 FCOC[C@@H]1CCCCO1 ca1b2cb267bd690707fc848ca799b623 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.17 FCOC[C@@H]1CCCOC1 49cd6390d42ac2c8b16ce799e1ff4f5f [0,1,0,0,0,0|2,0,1]=4 395 B10R1.17 FCOC[C@H]1CCCCO1 8ea64adf0799f6fa23f2275a2ca422eb [0,1,0,0,0,0|2,0,1]=4 396 B10R1.17 FCOC[C@H]1CCCOC1 7ad351b7ad45293aafe1272b36f683e6 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.17 ICCNC1CCCCC1 0ea7912ac8efeac273e26921a720b10f [0,1,0,0,0,0|2,0,1]=4 398 B10R1.17 N#CCNC1CCCCC1 c14eccb21381cf33342da1f5aa926d1b [0,1,0,0,0,0|2,0,1]=4 399 B10R1.17 N#CCOC1CCCCC1 8ed0e508b710a4aa2002a8fee15b59c4 [0,1,0,0,0,0|1,0,1]=3 400 B10R1.17 N#CCOC1CCCCO1 58cae88d58449b7817e140b96f84c3da [0,1,0,0,0,0|2,0,1]=4 401 B10R1.17 N#CCOC1CCCOC1 01a37fddd707054edef1dff54b2ce06f [0,1,0,0,0,0|2,0,1]=4 402 B10R1.17 N#CCOC1CCCSC1 354241a8c6d58a22efd411eff2ba491c [0,1,0,0,0,0|2,0,1]=4 403 B10R1.17 N#CCOC1CCOCC1 1e072a5c49bcf4bdcbe619de87761166 [0,1,0,0,0,0|2,0,1]=4 404 B10R1.17 N#CCOC1CCSCC1 90d27ccd9939889d8edb25f47a52164f [0,1,0,0,0,0|2,0,1]=4 405 B10R1.17 N#CCO[C@@H]1CCCOC1 d9d7f28f2600c031983b976c717a9140 [0,1,0,0,0,0|2,0,1]=4 406 B10R1.17 N#CCO[C@H]1CCCOC1 cf0968cd28012a5c43d4a448abe0f4ee [0,1,0,0,0,0|2,0,1]=4 407 B10R1.17 N#CNCC1CCCCC1 1bc444afafda86d93a9c06bf4cef24c6 [0,1,0,0,0,0|2,0,1]=4 408 B10R1.17 O=CCCN1CCCOC1 9ad45fe46d09f63d6cc7598ad54fc25e [0,1,0,0,0,0|3,0,0]=4 409 B10R1.17 O=CCCN1CCCSC1 c5ef75c34d4a4b5027cd47ef20d11511 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.17 O=CCCN1CCOCC1 8795cbfe6eab82661449750b81948d80 [0,1,0,0,0,0|3,0,0]=4 411 B10R1.17 O=CCCN1CCSCC1 fdbb42085fe17964460ec3907fca2a89 [0,1,0,0,0,0|3,0,0]=4 412 B10R1.17 O=CCNC1C=CCCC1 a5157ae5ff1004d6bbff6fd5b1f6a62e [0,1,0,0,0,0|1,0,2]=4 413 B10R1.17 O=CCNC1CCCOC1 6b730a17d614aafa1aa318a511651046 [0,1,0,0,0,0|2,0,0]=3 414 B10R1.17 O=CCNC1CCOCC1 50bf81f0270dd1d4294515ced70c064c [0,1,0,0,0,0|2,0,0]=3 415 B10R1.17 O=CCNC1CCSCC1 0024365efe323dc9ad8857b5b2a4cf77 [0,1,0,0,0,0|2,0,0]=3 416 B10R1.17 O=CCNC1CSCSC1 79384413de3a67e9ea45eea7ef880f83 [0,1,0,0,0,0|3,0,0]=4 417 B10R1.17 O=CCN[C@@H]1CCCOC1 a054c558ef790c97c3282d4cd91aeaf7 [0,1,0,0,0,0|2,0,0]=3 418 B10R1.17 O=CCN[C@H]1CCCOC1 81bdaac95724b93122faba5fab875208 [0,1,0,0,0,0|2,0,0]=3 419 B10R1.17 O=CCOC1C=CCCC1 859f3689b7089e03adfc3cce9cc38ebe [0,1,0,0,0,0|0,0,2]=3 420 B10R1.17 O=CCOC1CC=CCC1 3b89c2c36651de2f36a64bf73fcf75ce [0,1,0,0,0,0|0,0,2]=3 421 B10R1.17 O=CCOC1CCCCC1 2ac8d325a817eeba1e5b959a131d4d1f [0,1,0,0,0,0|0,0,0]=1 422 B10R1.17 O=CCOC1CCCCO1 32d8779509e070d5970150a4e2a2b467 [0,1,0,0,0,0|1,0,0]=2 423 B10R1.17 O=CCOC1CCCOC1 0acc287e80c367ba45db256a51a86ca8 [0,1,0,0,0,0|1,0,0]=2 424 B10R1.17 O=CCOC1CCCSC1 e0edb4cac81e1b62de1b4dd79d4b6b12 [0,1,0,0,0,0|1,0,0]=2 425 B10R1.17 O=CCOC1CCOCC1 3942062463ddd27c40f9dd244ed7fd0c [0,1,0,0,0,0|1,0,0]=2 426 B10R1.17 O=CCOC1CCSCC1 47bf0a366cae7124115b27b923321472 [0,1,0,0,0,0|1,0,0]=2 427 B10R1.17 O=CCO[C@@H]1CCCOC1 ef6af5491b3cb1f78f4d84cce6114b6f [0,1,0,0,0,0|1,0,0]=2 428 B10R1.17 O=CCO[C@H]1CCCOC1 1efae44d6f987c5e3b0b7d27475122aa [0,1,0,0,0,0|1,0,0]=2 429 B10R1.17 O=CNCC1=CCCCC1 584889090e9ec54011e3171791a4864a [0,1,0,0,0,0|1,0,2]=4 430 B10R1.17 O=CNCC1CC=CCC1 6cb3cb393b1f2e75ad5797ff7880ebfa [0,1,0,0,0,0|1,0,2]=4 431 B10R1.17 O=CNCC1CCCCC1 4e44cab3a60055af5bfabb127e62d3a7 [0,1,0,0,0,0|1,0,0]=2 432 B10R1.17 O=CNCC1CCCCO1 d9dd87ecc863fe06086920ca00dce84d [0,1,0,0,0,0|2,0,0]=3 433 B10R1.17 O=CNCC1CCCOC1 35ea698a015c8d5631b9e6ea95c71f52 [0,1,0,0,0,0|2,0,0]=3 434 B10R1.17 O=CNCC1CCOCC1 8d78e0091f7a806b9cf54f9fe19dd5ef [0,1,0,0,0,0|2,0,0]=3 435 B10R1.17 O=CNCC1CCSCC1 677d6b9fdb4d25bfb72f3ddaf19b329a [0,1,0,0,0,0|2,0,0]=3 436 B10R1.17 O=CNCC1COCCO1 c6a29942c43b6d12a75089fd1fdcfb11 [0,1,0,0,0,0|3,0,0]=4 437 B10R1.17 O=CNC[C@@H]1CCCOC1 06f4a32042159ed1445a60ce1a714339 [0,1,0,0,0,0|2,0,0]=3 438 B10R1.17 O=CNC[C@H]1CCCOC1 68341c1a910fe186088b2dbd54a23ea0 [0,1,0,0,0,0|2,0,0]=3 439 B10R1.17 O=CNC[C@H]1COCCO1 c71a7f58f5b0ea5ed441c38f893d3a4c [0,1,0,0,0,0|3,0,0]=4 440 B10R1.17 OCCNC1CCCCC1 cb4287e853e6a72233b428168d658cc4 [0,1,0,0,0,0|1,0,2]=4 441 B10R1.17 OCNCC1CCCCC1 a5b6a76774537dc00fb2137d722fa80d [0,1,0,0,0,0|1,0,2]=4 442 B10R1.17 SCCNC1CCCCC1 2b5507cafdb152e280f0c0037de00056 [0,1,0,0,0,0|1,1,1]=4 443 B10R1.17 SCCOC1CCCCC1 c87ab0dd8dcecaf86ae67499587b431b [0,1,0,0,0,0|0,1,1]=3 444 B10R1.17 SCCOC1CCCCO1 8d5c8c8f834110aae280dd94c2d99dc1 [0,1,0,0,0,0|1,1,1]=4 445 B10R1.17 SCCOC1CCCOC1 1c42dc2a59e66f5dd7f0373c1a020132 [0,1,0,0,0,0|1,1,1]=4 446 B10R1.17 SCCOC1CCCSC1 7fbcd8771b178a4518b86d199a906d98 [0,1,0,0,0,0|1,1,1]=4 447 B10R1.17 SCCOC1CCOCC1 7f1f2843f58f2c15152cd159cfd952b1 [0,1,0,0,0,0|1,1,1]=4 448 B10R1.17 SCCOC1CCSCC1 c26ac624f871e2c8d6f45c0940e29f63 [0,1,0,0,0,0|1,1,1]=4 449 B10R1.17 SCCO[C@@H]1CCCOC1 ba09b15e266244c27d79d9b23854d089 [0,1,0,0,0,0|1,1,1]=4 450 B10R1.17 SCCO[C@H]1CCCOC1 730b28034523def057ddad570764d5a8 [0,1,0,0,0,0|1,1,1]=4 451 B10R1.18 CC(=O)NC1C=CCCC1 1d5ddd958afbd2a3a6ae98a719be40e7 [0,1,0,0,0,0|1,0,2]=4 452 B10R1.18 CC(=O)NC1CCCOC1 4f95e852cc2bfb0219aae46495afcede [0,1,0,0,0,0|2,0,0]=3 453 B10R1.18 CC(=O)NC1CCOCC1 b8a9513c5c3615ab522c7c4bba9e7be0 [0,1,0,0,0,0|2,0,0]=3 454 B10R1.18 CC(=O)NC1CCSCC1 532c6db35a0b9f3a89303777aedbda02 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.18 CC(=O)NC1CSCSC1 d0ae7147b50f1d3ca0ca8fa0e0f7a0be [0,1,0,0,0,0|3,0,0]=4 456 B10R1.18 CC(=O)N[C@@H]1CCCOC1 52485d58eafbf3c79fc267d807120eb6 [0,1,0,0,0,0|2,0,0]=3 457 B10R1.18 CC(=O)N[C@H]1CCCOC1 e380151c69e874f737c0bf1b7124947f [0,1,0,0,0,0|2,0,0]=3 458 B10R1.18 CC(C)OC1CCCCC1 901407d6daa772a248b53aa4b6ac8e30 [0,1,0,0,0,0|1,0,1]=3 459 B10R1.18 CC(C)OC1CCCCO1 cd0775eac08e04c38cddc5a061e10e3a [0,1,0,0,0,0|2,0,1]=4 460 B10R1.18 CC(C)OC1CCCOC1 5be5a80933617284aa64105ed9715aba [0,1,0,0,0,0|2,0,1]=4 461 B10R1.18 CC(C)OC1CCCSC1 66333ebe71b050cae9ef335e293ac7a6 [0,1,0,0,0,0|2,0,1]=4 462 B10R1.18 CC(C)OC1CCOCC1 d7f236c590864ba7852b08747928a7ec [0,1,0,0,0,0|2,0,1]=4 463 B10R1.18 CC(C)OC1CCSCC1 5bee124b630ead346ff384e539953ba4 [0,1,0,0,0,0|2,0,1]=4 464 B10R1.18 CC(C)O[C@@H]1CCCOC1 8d8ab022df163db6b8ed39810cc25da7 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.18 CC(C)O[C@H]1CCCOC1 5749e494adb9caff7ffd9a16c12611f1 [0,1,0,0,0,0|2,0,1]=4 466 B10R1.18 NC(=O)CN1CCCOC1 94387a83bd4cae31e3f14782a40647e9 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.18 NC(=O)CN1CCCSC1 b68231ec8070fb183d2e67e07bffdf5f [0,1,0,0,0,0|3,0,0]=4 468 B10R1.18 NC(=O)CN1CCOCC1 c410094cbb204aafa2a00a06ff1200a7 [0,1,0,0,0,0|3,0,0]=4 469 B10R1.18 NC(=O)CN1CCSCC1 e1433af854a61ebc2cf2a21d5e077032 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.18 O=C(O)CN1CCCOC1 276c9e6db5c50efdf0013ee255981aea [0,1,0,0,0,0|3,0,0]=4 471 B10R1.18 O=C(O)CN1CCCSC1 969c23a84a85279fbc953810ec4f4635 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.18 O=C(O)CN1CCOCC1 71b10415ca7d674c1df6add3bdabacae [0,1,0,0,0,0|3,0,0]=4 473 B10R1.18 O=C(O)CN1CCSCC1 71c83e558b9a1fa155bf6e87dce077b1 [0,1,0,0,0,0|3,0,0]=4 474 B10R1.377 CC1(CCCCC1)NC=O 6ae8a8b9f1f26131c7f30af4e9c95bc8 [0,1,0,0,0,0|1,0,0]=2 475 B10R1.377 CC1(CCCCC1)NCF 8572a67883f415f592d0fcf6b91e1df6 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.377 CC1(CCCCC1)NCO f2c2c67aa89f96e757f2d9d4c78c9e25 [0,1,0,0,0,0|1,0,2]=4 477 B10R1.377 CC1(CCOCC1)NC=O 3fe473ec47ebb70e1ecc048a6f3391ca [0,1,0,0,0,0|2,0,0]=3 478 B10R1.377 CCNC1(CCCCC1)C 7bc1f4879cc7d7ffbc85efc0d1503c20 [0,1,0,0,0,0|2,0,1]=4 479 B8R0.1 C/C=C/C(C)OCCC 63733f028ee2622e94a5b800971df6ec [0,0,1,0,0,0|3,0,0]=4 480 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [0,0,1,0,0,0|3,0,0]=4 481 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,0,1,0,0,0|3,0,0]=4 482 B8R0.1 C=CCN(C)CCCC 7e690a78fa00c036d6b524400b1b2762 [0,0,1,0,0,0|3,0,0]=4 483 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,0,1,0,0,0|3,0,0]=4 484 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,0,1,0,0,0|3,0,0]=4 485 B8R0.1 CC(CCCO)NC=O 15bbe5f218049b8debf6ff63d25de29f [0,0,1,0,0,0|2,0,0]=3 486 B8R0.1 CC=CC(C)OCCC d62e55aefb4912836b720106d29ce9c5 [0,0,1,0,0,0|3,0,0]=4 487 B8R0.1 CCCCC(C)NC#N 784eb56f230698d9aa3d1010255fd9a5 [0,0,1,0,0,0|2,0,1]=4 488 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,0,1,0,0,0|1,0,0]=2 489 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,0,1,0,0,0|2,0,1]=4 490 B8R0.1 CCCCC(C)NCF db34d3f788f978f6333b2ef84533bba3 [0,0,1,0,0,0|2,0,1]=4 491 B8R0.1 CCCCC(C)NCO 6228ac303b59f75d40554a9ce17c3ee3 [0,0,1,0,0,0|1,0,2]=4 492 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,0,1,0,0,0|1,0,1]=3 493 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,0,1,0,0,0|1,0,1]=3 494 B8R0.1 CCCCN(C)CC=O 0b9f4b899180868f46e162e3fdd5a057 [0,0,1,0,0,0|2,0,0]=3 495 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,0,1,0,0,0|1,0,0]=2 496 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,0,1,0,0,0|2,0,1]=4 497 B8R0.1 CCCC[C@@H](C)NCF 370b9a3d7cbc257e234752372becfe14 [0,0,1,0,0,0|2,0,1]=4 498 B8R0.1 CCCC[C@@H](C)NCO 4bc87525a9489fa57f5a33fe4ddc5813 [0,0,1,0,0,0|1,0,2]=4 499 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,0,1,0,0,0|1,0,1]=3 500 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,0,1,0,0,0|1,0,1]=3 501 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,0,1,0,0,0|1,0,1]=3 502 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,0,1,0,0,0|1,0,1]=3 503 B8R0.1 CCNCC(C)OCC eada9db090733897974960683afe5496 [0,0,1,0,0,0|2,0,1]=4 504 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,0,1,0,0,0|2,0,1]=4 505 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,0,1,0,0,0|2,0,1]=4 506 B8R0.1 CCOCC(C)OCC 20a9fb9f86ef4d51ef11c7f7a467151a [0,0,1,0,0,0|2,0,1]=4 507 B8R0.1 CCOCC(C)OCF bcb6d4f0696d0db17649578eada29ff8 [0,0,1,0,0,0|2,0,1]=4 508 B8R0.1 CN(CC=O)CCCO e829ef1e39177735d96baabedb183026 [0,0,1,0,0,0|3,0,0]=4 509 B8R0.1 COCCC(C)OCF 1c24462098656029d24876204a2cded4 [0,0,1,0,0,0|2,0,1]=4 510 B8R0.1 COCCN(C)CC=O c7dafc3b396de10656291e435de6410a [0,0,1,0,0,0|3,0,0]=4 511 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,0,1,0,0,0|2,0,1]=4 512 B8R0.1 CSCCN(C)CC=O 89a7838ed9276e35ce7d12178b247609 [0,0,1,0,0,0|3,0,0]=4 513 B8R0.1 C[C@H](CCCO)NC=O 76787ce64f2b79059513d880ee57c0da [0,0,1,0,0,0|2,0,0]=3 514 B8R0.4 C#CCCCCNC=O fab4e18c7200300872a81b2f8c434fc9 [0,0,1,0,0,0|1,0,2]=4 515 B8R0.4 C#CCOCCOC=O 377001fa3c1ab01254e3078c71ef3ae2 [0,0,1,0,0,0|1,0,2]=4 516 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [0,0,1,0,0,0|3,0,0]=4 517 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [0,0,1,0,0,0|3,0,0]=4 518 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [0,0,1,0,0,0|3,0,0]=4 519 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [0,0,1,0,0,0|3,0,0]=4 520 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [0,0,1,0,0,0|3,0,0]=4 521 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [0,0,1,0,0,0|3,0,0]=4 522 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [0,0,1,0,0,0|3,0,0]=4 523 B8R0.4 C=CCCCCNC=O d1a18970ef82160dc43ff2316b351101 [0,0,1,0,0,0|1,0,2]=4 524 B8R0.4 C=CCCCCNCC cad9e93d76afc8b0fa381258c4e7ac39 [0,0,1,0,0,0|3,0,0]=4 525 B8R0.4 C=CCCCCOCC 60183f731400a1b7f9d49b3e8c9e971a [0,0,1,0,0,0|3,0,0]=4 526 B8R0.4 C=CCCCNCCC ed9f94bd82f276e8a415d35039c9b633 [0,0,1,0,0,0|3,0,0]=4 527 B8R0.4 C=CCCCOCCC 5f646296a8d9f451f6f7524888b9f8ed [0,0,1,0,0,0|3,0,0]=4 528 B8R0.4 C=CCCNCCCC bba294da38688174bb39fbd588941b97 [0,0,1,0,0,0|3,0,0]=4 529 B8R0.4 C=CCCOCCCC 97ba8da216ed199156e3ec05890dcca1 [0,0,1,0,0,0|3,0,0]=4 530 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [0,0,1,0,0,0|3,0,0]=4 531 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [0,0,1,0,0,0|3,0,0]=4 532 B8R0.4 C=CCOCCOC=O cc4c0fa320870fe6d6f693a921558628 [0,0,1,0,0,0|1,0,2]=4 533 B8R0.4 C=COCCCNCC d89071dcdb3acfadefaa437a059ee19e [0,0,1,0,0,0|2,0,0]=3 534 B8R0.4 C=COCCCNCF e07e5c3e606b8ffc18f594f94beea595 [0,0,1,0,0,0|3,0,0]=4 535 B8R0.4 C=COCCCNCO 7c4b3e65d98ea331ba11854946f4a847 [0,0,1,0,0,0|3,0,0]=4 536 B8R0.4 C=COCCNCCC 28cdbba6a7c35ff41b7005cb4f953384 [0,0,1,0,0,0|2,0,0]=3 537 B8R0.4 C=COCCNCCF c4db30a75b11ac3d125d39aaa0bafcf8 [0,0,1,0,0,0|3,0,0]=4 538 B8R0.4 C=COCCNCCO c962ee181883a9d05479745cb560753b [0,0,1,0,0,0|3,0,0]=4 539 B8R0.4 C=COCCNCCS 99e314c6d18b5e25ff66e5c7d4cb0d17 [0,0,1,0,0,0|3,0,0]=4 540 B8R0.4 C=COCCNCOC f224848c336840864306e8775fa9be91 [0,0,1,0,0,0|3,0,0]=4 541 B8R0.4 C=COCCNCSC c600bc4155cdfab00718c182a1d908ce [0,0,1,0,0,0|3,0,0]=4 542 B8R0.4 C=COCCOCCC d3d0232a519269e090de053aa19caca6 [0,0,1,0,0,0|2,0,0]=3 543 B8R0.4 C=COCCOCCF 2bb3cc79cd54325a3b4a658a60f2531e [0,0,1,0,0,0|3,0,0]=4 544 B8R0.4 C=COCCOCCS 1dc3bcdc2ff447de0c7aec1863e71212 [0,0,1,0,0,0|3,0,0]=4 545 B8R0.4 C=COCCOCOC 28985632a82f745364d35b6f4482f6c2 [0,0,1,0,0,0|3,0,0]=4 546 B8R0.4 C=COCCOCSC 1542023f7ad8f1a42415fe567facda9d [0,0,1,0,0,0|3,0,0]=4 547 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [0,0,1,0,0,0|3,0,0]=4 548 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [0,0,1,0,0,0|3,0,0]=4 549 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [0,0,1,0,0,0|3,0,0]=4 550 B8R0.4 CCCCCCNC#N bb02e52ec524ebcb56f04e4bf9b34243 [0,0,1,0,0,0|2,0,1]=4 551 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [0,0,1,0,0,0|1,0,0]=2 552 B8R0.4 CCCCCCNCC 007e02c518c21b960782cd7d67a6f9d7 [0,0,1,0,0,0|2,0,1]=4 553 B8R0.4 CCCCCCNCF fcc33172a41ee2d3e601afc70a912863 [0,0,1,0,0,0|2,0,1]=4 554 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [0,0,1,0,0,0|1,0,2]=4 555 B8R0.4 CCCCCCOCC 9345e14939c0037a8cd7124fa95af69b [0,0,1,0,0,0|1,0,1]=3 556 B8R0.4 CCCCCCOCF 5545a0a4abb65fe9a326f72bb8454219 [0,0,1,0,0,0|1,0,1]=3 557 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [0,0,1,0,0,0|2,0,0]=3 558 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [0,0,1,0,0,0|2,0,0]=3 559 B8R0.4 CCCCNC/C=C/Cl aefc90227738a0a04d85ff4e3fb94a96 [0,0,1,0,0,0|3,0,0]=4 560 B8R0.4 CCCCNC/C=C\Cl 95b879f76fb0ff759a3b6bfdbdb337b9 [0,0,1,0,0,0|3,0,0]=4 561 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [0,0,1,0,0,0|2,0,1]=4 562 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [0,0,1,0,0,0|2,0,0]=3 563 B8R0.4 CCCCNCOCC 6270590fe71f8e7cfb7887c503e7cb19 [0,0,1,0,0,0|2,0,1]=4 564 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [0,0,1,0,0,0|3,0,0]=4 565 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [0,0,1,0,0,0|3,0,0]=4 566 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [0,0,1,0,0,0|3,0,0]=4 567 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [0,0,1,0,0,0|2,0,0]=3 568 B8R0.4 CCCCOCOCC cfd273cfcd393094625c8ef6899069be [0,0,1,0,0,0|2,0,1]=4 569 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [0,0,1,0,0,0|2,0,0]=3 570 B8R0.4 CCCNCCOCC 788b5a303fd5463369b362f7c1e82c05 [0,0,1,0,0,0|2,0,1]=4 571 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [0,0,1,0,0,0|2,0,1]=4 572 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [0,0,1,0,0,0|2,0,0]=3 573 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [0,0,1,0,0,0|2,0,0]=3 574 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [0,0,1,0,0,0|1,0,0]=2 575 B8R0.4 CCCOCCOCC 329b2bcd6f865f8651c78dbc452ecac4 [0,0,1,0,0,0|2,0,1]=4 576 B8R0.4 CCCOCCOCF 6893c8c2de2661d9cf2e52b0c6eaabcf [0,0,1,0,0,0|2,0,1]=4 577 B8R0.4 CCCSCCOCC c76e8fe318a52d32927def1b7ebdffa7 [0,0,1,0,0,0|2,0,1]=4 578 B8R0.4 CCCSCCOCF 720d0236377e6144f736cd0f4037f880 [0,0,1,0,0,0|2,0,1]=4 579 B8R0.4 CCNCCCOCC f2ffbe155d0d4a2462785a082836f9b5 [0,0,1,0,0,0|2,0,1]=4 580 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [0,0,1,0,0,0|2,0,0]=3 581 B8R0.4 CCOCCCCOC 884278e30d78a09f4fe2f7feb30d0d3f [0,0,1,0,0,0|2,0,1]=4 582 B8R0.4 CCOCCCCSC c32f6fe4365f04c7fe23f7790fb72a1b [0,0,1,0,0,0|2,0,1]=4 583 B8R0.4 CCOCCCNC=O 0935cc0e22c341f4c068e5af7412e4dc [0,0,1,0,0,0|2,0,0]=3 584 B8R0.4 CCOCCCOCC 1ce53fcb477dcf09005ceecf2916bb17 [0,0,1,0,0,0|2,0,1]=4 585 B8R0.4 CCOCCCOCF 2c2cf6b3b3dd51f869cf61ba85e465ae [0,0,1,0,0,0|2,0,1]=4 586 B8R0.4 CCOCCCSCC 93ac6b931fc33d114d8490d7cf350c9c [0,0,1,0,0,0|2,0,1]=4 587 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [0,0,1,0,0,0|3,0,0]=4 588 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [0,0,1,0,0,0|3,0,0]=4 589 B8R0.4 CCOCOCCC=O 00ff08f097e74805397d4946d664ecfe [0,0,1,0,0,0|3,0,0]=4 590 B8R0.4 CCSCCCOCF d72522531acf839532bc264a9c459c9f [0,0,1,0,0,0|2,0,1]=4 591 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [0,0,1,0,0,0|3,0,0]=4 592 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [0,0,1,0,0,0|3,0,0]=4 593 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [0,0,1,0,0,0|2,0,0]=3 594 B8R0.4 COCCCCOCF e815a6c287695e1a636002d6644f305e [0,0,1,0,0,0|2,0,1]=4 595 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [0,0,1,0,0,0|3,0,0]=4 596 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [0,0,1,0,0,0|3,0,0]=4 597 B8R0.4 COCCNCCC=O 231f83e2145cee673a577fcbc59607dc [0,0,1,0,0,0|3,0,0]=4 598 B8R0.4 COCCOCCC=O 2cddfa1660d37f7f1ab97a7bd88a1df8 [0,0,1,0,0,0|3,0,0]=4 599 B8R0.4 COCOCCCC=O 684e0671f7887e8ada626a3c87e02a67 [0,0,1,0,0,0|3,0,0]=4 600 B8R0.4 COCOCCNC=O d2f3dc716da407412ea36aea7489896a [0,0,1,0,0,0|3,0,0]=4 601 B8R0.4 COCOCCOC=O 773d5ab92f0785e20c35a5ecfa8aef71 [0,0,1,0,0,0|2,0,0]=3 602 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [0,0,1,0,0,0|2,0,0]=3 603 B8R0.4 CSCCCCOCF d0c2f220ea9615e6564739bdaf4f26d6 [0,0,1,0,0,0|2,0,1]=4 604 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [0,0,1,0,0,0|3,0,0]=4 605 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [0,0,1,0,0,0|3,0,0]=4 606 B8R0.4 CSCCNCCC=O 6a9c051f85f5257fb975b52def5686c5 [0,0,1,0,0,0|3,0,0]=4 607 B8R0.4 CSCCOCCC=O b536dffbb68d78cf6840eddbe6be827c [0,0,1,0,0,0|3,0,0]=4 608 B8R0.4 CSCOCCCC=O 02e58623d80bf7d5cca843eacdf2cd45 [0,0,1,0,0,0|3,0,0]=4 609 B8R0.4 CSCOCCNC=O 06cab0f55d10d488e369b65237bc7019 [0,0,1,0,0,0|3,0,0]=4 610 B8R0.4 CSCOCCOC=O 6b8870cbaaae325b360a7cd8be5fab08 [0,0,1,0,0,0|2,0,0]=3 611 B8R0.4 N#CCCCCNC=O 3cd3800040138849f83fc8af50952e52 [0,0,1,0,0,0|2,0,1]=4 612 B8R0.4 N#CCOCCOC=O 9d6003c9923a25956c14b6575f90e53d [0,0,1,0,0,0|2,0,1]=4 613 B8R0.4 O=CCCCCOCF 85b3ca7ddc0c3fb867d0185bbf0921f7 [0,0,1,0,0,0|3,0,0]=4 614 B8R0.4 O=CCCCNCCBr 5e09bfc9621932d4fb0368b0d04a42bb [0,0,1,0,0,0|3,0,0]=4 615 B8R0.4 O=CCCCNCCF 9ef00e7f50632796f91c39cf64b27b1e [0,0,1,0,0,0|3,0,0]=4 616 B8R0.4 O=CCCCNCCI abb8da695e5124ac987c7d8731b9762b [0,0,1,0,0,0|3,0,0]=4 617 B8R0.4 O=CCCCNCCO 1bdd2d1ee3e05ff4d3000e48e13914eb [0,0,1,0,0,0|3,0,0]=4 618 B8R0.4 O=CCCCNCCS 303aeb6b773578a67453b1630ba18dc2 [0,0,1,0,0,0|3,0,0]=4 619 B8R0.4 O=CCCCOCCF e7532aaece8a67865517c3b01b67c5ec [0,0,1,0,0,0|3,0,0]=4 620 B8R0.4 O=CCCCOCCS 991b115ad7b60aa47bc8f80580adc02b [0,0,1,0,0,0|3,0,0]=4 621 B8R0.4 O=CCCNCCCCl f16c75c276bf2599e9ae201a54b0ee63 [0,0,1,0,0,0|3,0,0]=4 622 B8R0.4 O=CCCNCCCO 20d68d5fd2c369dcd2205fd4753202b2 [0,0,1,0,0,0|3,0,0]=4 623 B8R0.4 O=CCCOCCCF 12bf2bf84237f34effc6d41e7d4e1236 [0,0,1,0,0,0|3,0,0]=4 624 B8R0.4 O=CCCOCCCS fa8d8cbc8a3558586641843cfd71f1ec [0,0,1,0,0,0|3,0,0]=4 625 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [0,0,1,0,0,0|3,0,0]=4 626 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [0,0,1,0,0,0|3,0,0]=4 627 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [0,0,1,0,0,0|3,0,0]=4 628 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [0,0,1,0,0,0|3,0,0]=4 629 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [0,0,1,0,0,0|3,0,0]=4 630 B8R0.4 O=CCOCCOC=O f05f0d0e8934b517680eca7957de44e9 [0,0,1,0,0,0|2,0,1]=4 631 B8R0.4 O=CNCCCCCCl 66cea552e3781af1cb79b403cbf86bb3 [0,0,1,0,0,0|2,0,0]=3 632 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [0,0,1,0,0,0|2,0,0]=3 633 B8R0.4 O=CNCCOCCF c8a5c0eacdcd1d316a424c4005d58ef9 [0,0,1,0,0,0|3,0,0]=4 634 B8R0.4 O=CNCCOCCO 2965d694fa10a828f84ff41ee0bcab8c [0,0,1,0,0,0|3,0,0]=4 635 B8R0.4 O=CNCCOCCS fd3b3090b4eefe81cd9992494316f59f [0,0,1,0,0,0|3,0,0]=4 636 B8R0.4 O=CNCCSCCO 6350af265f31b9f5de0271d49057ec24 [0,0,1,0,0,0|3,0,0]=4 637 B8R0.4 O=COCCOCCF 3ac9afe53341268fdfe07221ba11eb92 [0,0,1,0,0,0|2,0,0]=3 638 B8R0.4 O=COCCOCCS e57473f45057007c5c8548c766fce976 [0,0,1,0,0,0|2,0,0]=3 639 B8R0.22 C=CCN(CC)CCC 7aebbfb3f75baa8bbab14ad7e2fc6fe2 [0,0,1,0,0,0|3,0,0]=4 640 B8R0.22 CCC(CC#N)NC=O ba773f485fe917b32fd2162e6d6e2c97 [0,0,1,0,0,0|2,0,1]=4 641 B8R0.22 CCC(COC)NC=O 53905710bc62d6f533f443331f56e2bc [0,0,1,0,0,0|2,0,0]=3 642 B8R0.22 CCC(COC)OCF e4a3f6d1c69a2354f3937d8ddd14d68d [0,0,1,0,0,0|2,0,1]=4 643 B8R0.22 CCC(CSC)OCF 2ad6205708c499d48b4ee5a13ffd89a9 [0,0,1,0,0,0|2,0,1]=4 644 B8R0.22 CCCC(CC)NC#N 02d99bdf5a76ac9c852f51329e019127 [0,0,1,0,0,0|2,0,1]=4 645 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,0,1,0,0,0|1,0,1]=3 646 B8R0.22 CCCC(CC)OCF ce7c200aebd362fbdb26e3cffa550e7b [0,0,1,0,0,0|1,0,1]=3 647 B8R0.22 CCCC(CO)NC=O 41f5afc0296d6847bc820d8afc2b5787 [0,0,1,0,0,0|2,0,0]=3 648 B8R0.22 CCCN(CC)CC=O 10f91472c4600bbc31b6ae1008baca40 [0,0,1,0,0,0|2,0,0]=3 649 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,0,1,0,0,0|1,0,1]=3 650 B8R0.22 CCC[C@@H](CC)OCF 7aa5f0ec7ab4c268dbb1cc54d34ff94b [0,0,1,0,0,0|1,0,1]=3 651 B8R0.22 CCC[C@@H](CO)NC=O 3c94a70b3970ecaf12f548b2138bdede [0,0,1,0,0,0|2,0,0]=3 652 B8R0.22 CCC[C@H](CO)NC=O 930af0e5fd8674584b8a8514e2d4657f [0,0,1,0,0,0|2,0,0]=3 653 B8R0.22 CCN(CC=O)CCCl 4ed90969909b022e2ac83da8060f9efc [0,0,1,0,0,0|3,0,0]=4 654 B8R0.22 CCN(CC=O)CCO 97dbc0347b45240747141aa67b4d0675 [0,0,1,0,0,0|3,0,0]=4 655 B8R0.22 CCOC(CC)COC 5abfd343e0b4d1c299a8c6b54e73b27d [0,0,1,0,0,0|2,0,1]=4 656 B8R0.22 CCOC(CC)CSC 8ed7b9fab73898e63015d64833b57a87 [0,0,1,0,0,0|2,0,1]=4 657 B8R0.22 CC[C@@H](CC#N)NC=O d1d8f2fe5eae06eb9750607c79e07f98 [0,0,1,0,0,0|2,0,1]=4 658 B8R0.22 CC[C@H](CC#N)NC=O fabf20f5d4e21823e8aa2b7704696426 [0,0,1,0,0,0|2,0,1]=4 659 B8R0.22 COCC(CO)NC=O 7cb927b980bd90d760ca02f17ab63be0 [0,0,1,0,0,0|3,0,0]=4 660 B8R0.22 CSCC(CO)NC=O dbcc07b4bda20d44a07ec89880e75884 [0,0,1,0,0,0|3,0,0]=4 661 B8R0.22 O=CNC(CO)CCO 1c386d33bbd7c581f75e6c17d6cd6e2e [0,0,1,0,0,0|3,0,0]=4 662 B8R0.22 O=CN[C@@H](CO)CCO eb8f36be4729f323a89920f2afd3da27 [0,0,1,0,0,0|3,0,0]=4 663 B10R2.58 C=CCN1CC2CC2C1 dc27d1096f581790eb4eb9cb6efe5698 [0,0,0,1,0,0|3,0,0]=4 664 B10R2.58 CCOC1CC2CC2C1 6a8a083a393f1e58f8a2ac9d11c95da3 [0,0,0,1,0,0|1,0,1]=3 665 B10R2.58 CCOC1C[C@@H]2C[C@@H]2C1 fa009518c41528c51bd4b0d216fd21c1 [0,0,0,1,0,0|1,0,1]=3 666 B10R2.58 CCO[C@@H]1C[C@@H]2C[C@@H]2C1 546181f45e7372b1e7d03a25ba055345 [0,0,0,1,0,0|1,0,1]=3 667 B10R2.58 CCO[C@H]1C[C@@H]2C[C@@H]2C1 a92ada4d08b0809e312e91d8c684c32d [0,0,0,1,0,0|1,0,1]=3 668 B10R2.58 FCOC1CC2CC2C1 214213eedfb6b503849ee8eb43d4b5a4 [0,0,0,1,0,0|1,0,1]=3 669 B10R2.58 FCOC1C[C@@H]2C[C@@H]2C1 fd3f97a3fd0daded0c3089105bd1a9db [0,0,0,1,0,0|1,0,1]=3 670 B10R2.58 FCO[C@@H]1C[C@@H]2C[C@@H]2C1 ea973069d44dfd74faf9f7b3f3bfbdf6 [0,0,0,1,0,0|1,0,1]=3 671 B10R2.58 FCO[C@H]1C[C@@H]2C[C@@H]2C1 d924e40659fac57708968a5937d27918 [0,0,0,1,0,0|1,0,1]=3 672 B10R2.58 O=CCN1CC2CC2C1 4c9996e344d47e4af83e3e9b3386a973 [0,0,0,1,0,0|2,0,0]=3 673 B10R2.160 O=CN1C2COCC1C2 a9cae76a1e0d12b072332d73ece71a73 [0,0,0,1,0,0|2,0,0]=3 674 B10R2.161 CCN1C2CCC1CC2 f84f7185249790b2c036181a673a7e64 [0,0,0,1,0,0|2,0,1]=4 675 B10R2.161 CCN1[C@H]2CC[C@@H]1CC2 1bb39b377edf98fd683d63cd5c6d5284 [0,0,0,1,0,0|2,0,1]=4 676 B10R2.161 FCN1C2CCC1CC2 ec63fca497b01a4ffee789ed234578dd [0,0,0,1,0,0|2,0,1]=4 677 B10R2.161 FCN1[C@H]2CC[C@@H]1CC2 bba7cb6f2a13532d3ed0bee530b5104d [0,0,0,1,0,0|2,0,1]=4 678 B10R2.161 O=CN1C2CCC1CC2 60bc77443d963e6f90b1cc919253da95 [0,0,0,1,0,0|1,0,0]=2 679 B10R2.161 O=CN1[C@H]2CC[C@@H]1CC2 a7bf0e73d35ccd15fcf332150a93e8c7 [0,0,0,1,0,0|1,0,0]=2 680 B10R2.161 OCN1C2CCC1CC2 4f8041f5ac2db91636c66649bd7596bc [0,0,0,1,0,0|1,0,2]=4 681 B10R2.161 OCN1[C@H]2CC[C@@H]1CC2 ff809dc4c43cef5c969456bf938e11ae [0,0,0,1,0,0|1,0,2]=4 682 B10R2.172 C=CCN1C2C1CCC2 0a7c8da66ea2abcd87e7a442d5e6133c [0,0,0,1,0,0|3,0,0]=4 683 B10R2.172 O=CCN1C2C1CCC2 ab55566c7a5a788e7a0752de32778f3c [0,0,0,1,0,0|2,0,0]=3 684 B10R2.368 C=CCN1CCC2C1C2 5200f76b90637003a544f2e5d6570fbf [0,0,0,1,0,0|3,0,0]=4 685 B10R2.368 CCOC1CCC2C1C2 d4e9987cb63a9ccb0eead7207c99b478 [0,0,0,1,0,0|1,0,1]=3 686 B10R2.368 CCO[C@@H]1CC[C@@H]2[C@H]1C2 781092ba12891af7e92e6ca046e78c5d [0,0,0,1,0,0|1,0,1]=3 687 B10R2.368 FCOC1CCC2C1C2 1af3907914ca61a44a665cf26399697d [0,0,0,1,0,0|1,0,1]=3 688 B10R2.368 FCO[C@@H]1CC[C@@H]2[C@H]1C2 54ab85d6b6ba339d3d54adf50d80c34c [0,0,0,1,0,0|1,0,1]=3 689 B10R2.368 O=CCN1CCC2C1C2 91f8affa59aea7dd47016dfad8e00d76 [0,0,0,1,0,0|2,0,0]=3 690 B10R2.513 CCN1C2C1CCCC2 bd43fed2867ffc04153365e744c2e524 [0,0,0,1,0,0|2,0,1]=4 691 B10R2.513 FCN1C2C1CCCC2 2511af52074b4ae58c5c72fa4fa08706 [0,0,0,1,0,0|2,0,1]=4 692 B10R2.513 O=CN1C2C1CCCC2 0c0fd4316eddea7e8beb4111dd8a3203 [0,0,0,1,0,0|1,0,0]=2 693 B10R2.513 OCN1C2C1CCCC2 d6916074fac40088857af6efa37abed1 [0,0,0,1,0,0|1,0,2]=4 694 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,0,0,0,1,0|2,0,1]=4 695 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,0,0,1,0|1,0,1]=3 696 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,0,0,0,1,0|2,0,1]=4 697 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [0,0,0,0,1,0|2,0,1]=4 698 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,0,0,0,1,0|2,0,1]=4 699 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [0,0,0,0,1,0|2,0,1]=4 700 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,0,0,0,1,0|2,0,1]=4 701 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [0,0,0,0,1,0|2,0,1]=4 702 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,0,0,0,1,0|2,0,1]=4 703 B8R1.8 FCNC1CCCC1 aa1dda43fcc2c9304287b028aaf95907 [0,0,0,0,1,0|2,0,1]=4 704 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,0,0,0,1,0|1,0,1]=3 705 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,0,0,0,1,0|2,0,1]=4 706 B8R1.8 FCOC1CCOC1 dd266c2430124fff3fce691c18e28234 [0,0,0,0,1,0|2,0,1]=4 707 B8R1.8 FCOC1CCSC1 f8f6f296ad6ade850e96ba039dea79ec [0,0,0,0,1,0|2,0,1]=4 708 B8R1.8 FCO[C@@H]1CCOC1 2f0a74cb641694e38feb66e5e3e7011f [0,0,0,0,1,0|2,0,1]=4 709 B8R1.8 FCO[C@@H]1CCSC1 167bc92bd5239abe1a03b8937d910bee [0,0,0,0,1,0|2,0,1]=4 710 B8R1.8 FCO[C@H]1CCOC1 60d51a47377d177f8c280d0a99b59886 [0,0,0,0,1,0|2,0,1]=4 711 B8R1.8 FCO[C@H]1CCSC1 2d17ed5a52b01d81f24848fd9cde0e5b [0,0,0,0,1,0|2,0,1]=4 712 B8R1.8 N#CNC1CCCC1 1455c5fdc3e5fbc19f5d3501e1b484ad [0,0,0,0,1,0|2,0,1]=4 713 B8R1.8 O=CCN1CCSC1 14861ad96d7cd5c90441f6d38859a442 [0,0,0,0,1,0|3,0,0]=4 714 B8R1.8 O=CNC1CC=CC1 19ecdde8cbf64eb0bd156ac46c4fa7d5 [0,0,0,0,1,0|1,0,2]=4 715 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,0,0,0,1,0|1,0,0]=2 716 B8R1.8 O=CNC1CCOC1 e7b13204a0b810870373335ae06b13c2 [0,0,0,0,1,0|2,0,0]=3 717 B8R1.8 O=CNC1CCSC1 82c5edb5966e6ade7f67bb51f82f09ea [0,0,0,0,1,0|2,0,0]=3 718 B8R1.8 O=CN[C@@H]1CCOC1 8b6fe9f11693342d0eb8e36d1ad51ff3 [0,0,0,0,1,0|2,0,0]=3 719 B8R1.8 O=CN[C@H]1CCOC1 f295aedd4a6355b7f9c423148debde31 [0,0,0,0,1,0|2,0,0]=3 720 B8R1.8 OCNC1CCCC1 bd97d9ff634af16a4e2cdcc6aa11ca03 [0,0,0,0,1,0|1,0,2]=4 721 B10R1.85 C=CCN1CCCCCC1 dedbea71de50dce4778efb471019b0b0 [0,0,0,0,0,1|3,0,0]=4 722 B10R1.85 C=CCN1CCCOCC1 706b67ffd10afa347d6b3d6a3eaaa538 [0,0,0,0,0,1|3,0,0]=4 723 B10R1.85 CCNC1CCCCCC1 0c95c29b93e32e146162fd72980d84b0 [0,0,0,0,0,1|2,0,1]=4 724 B10R1.85 CCNC1CCCOCC1 f7f3109a402ca4c4a83cfb0bb4504d7a [0,0,0,0,0,1|2,0,1]=4 725 B10R1.85 CCOC1CCCCCC1 3ceaf49955c2e83c7e4ec278fd2e50f6 [0,0,0,0,0,1|1,0,1]=3 726 B10R1.85 CCOC1CCCOCC1 eb88bd3389c520df3554ee47bbccb2fe [0,0,0,0,0,1|1,0,1]=3 727 B10R1.85 CCOC1COCCOC1 3205a3a5e212b917d7141e01b43dd9d7 [0,0,0,0,0,1|2,0,1]=4 728 B10R1.85 FCNC1CCCCCC1 d9941b22490be54ccbbbbf89c73fad6a [0,0,0,0,0,1|2,0,1]=4 729 B10R1.85 FCNC1CCCOCC1 2a4d03554d3a542b5f6f36554a5b6cae [0,0,0,0,0,1|2,0,1]=4 730 B10R1.85 FCOC1CCCCCC1 5716769f937d10c4581f0ddcaefc884e [0,0,0,0,0,1|1,0,1]=3 731 B10R1.85 FCOC1CCCOCC1 060456a2aa48bad55bfafa6777d75ca0 [0,0,0,0,0,1|1,0,1]=3 732 B10R1.85 FCOC1COCCOC1 9dec9caef71250527d4267ee299d6805 [0,0,0,0,0,1|2,0,1]=4 733 B10R1.85 N#CNC1CCCCCC1 e208d8f66371b1148941f69fc311516e [0,0,0,0,0,1|2,0,1]=4 734 B10R1.85 N#CNC1CCCOCC1 a2e72ed5e4219f95f7e814ef46694711 [0,0,0,0,0,1|2,0,1]=4 735 B10R1.85 O=CCN1CCCCCC1 f724e4ec53ccca226b2bc57eaef06e6e [0,0,0,0,0,1|2,0,0]=3 736 B10R1.85 O=CCN1CCCOCC1 21765a29448f0dc0ea8ed5f1c15a3e96 [0,0,0,0,0,1|2,0,0]=3 737 B10R1.85 O=CNC1CCC=CCC1 9151088df81cf55918953c83bf98d6ba [0,0,0,0,0,1|1,0,1]=3 738 B10R1.85 O=CNC1CCCCCC1 113187389de6916fbb9a078d48160950 [0,0,0,0,0,1|1,0,0]=2 739 B10R1.85 OCNC1CCCCCC1 94921a425b816c358f5fadb4a2c976db [0,0,0,0,0,1|1,0,2]=4 740 B10R1.85 OCNC1CCCOCC1 35e0984f80ff727954f6eeffb213ed53 [0,0,0,0,0,1|1,0,2]=4 741 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [1,0,1,0,0,0|2,0,0]=4 742 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [1,0,1,0,0,0|2,0,0]=4 743 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [1,0,1,0,0,0|2,0,0]=4 744 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [1,0,1,0,0,0|2,0,0]=4 745 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [1,0,1,0,0,0|2,0,0]=4 746 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [1,0,1,0,0,0|2,0,0]=4 747 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [1,0,1,0,0,0|2,0,0]=4 748 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [1,0,1,0,0,0|2,0,0]=4 749 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [1,0,1,0,0,0|1,0,0]=3 750 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [1,0,1,0,0,0|1,0,1]=4 751 B7R0.1 CCCCCOCF 12202160b083613b3fc9b1e5cca026a2 [1,0,1,0,0,0|1,0,1]=4 752 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [1,0,1,0,0,0|1,0,0]=3 753 B7R0.1 CCCCNCOC fca288cb8dbe01759ae101c18bfa412c [1,0,1,0,0,0|1,0,1]=4 754 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [1,0,1,0,0,0|1,0,0]=3 755 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [1,0,1,0,0,0|1,0,1]=4 756 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [1,0,1,0,0,0|1,0,0]=3 757 B7R0.1 CCCNCCOC f29ce84f8c4a36f99b7727e369f1b3a2 [1,0,1,0,0,0|1,0,1]=4 758 B7R0.1 CCCNCCON bf9627abd7d34e77302e8e1bfd5dbfaa [1,0,1,0,0,0|2,0,0]=4 759 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [1,0,1,0,0,0|1,0,0]=3 760 B7R0.1 CCCOCCOC 587c6353ef70a105adefc48caf2dd9ab [1,0,1,0,0,0|1,0,1]=4 761 B7R0.1 CCNCCCOC 38e4872da65a7f4c607195bb3a42a7d3 [1,0,1,0,0,0|1,0,1]=4 762 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [1,0,1,0,0,0|1,0,0]=3 763 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [1,0,1,0,0,0|1,0,1]=4 764 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [1,0,1,0,0,0|2,0,0]=4 765 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [1,0,1,0,0,0|1,0,0]=3 766 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [1,0,1,0,0,0|2,0,0]=4 767 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [1,0,1,0,0,0|2,0,0]=4 768 B7R0.1 COCCNCC=O 30a27f931dd328052d03310080bbede9 [1,0,1,0,0,0|2,0,0]=4 769 B7R0.1 COCCOCC=O 7bf0866abc6521aca0a006639887e6db [1,0,1,0,0,0|2,0,0]=4 770 B7R0.1 COCOCCC=O 867162fff7db4dfba86a4f93622307d6 [1,0,1,0,0,0|2,0,0]=4 771 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [1,0,1,0,0,0|2,0,0]=4 772 B7R0.1 CSCCNCC=O 8de69eeee638d27e11ca8a7f5e17ae95 [1,0,1,0,0,0|2,0,0]=4 773 B7R0.1 CSCCOCC=O 7ceb38e7eb56bc23c985da3b919bcd85 [1,0,1,0,0,0|2,0,0]=4 774 B7R0.1 CSCOCCC=O eca7e28d98d26bea86d16bbabb7f8fbd [1,0,1,0,0,0|2,0,0]=4 775 B7R0.1 O=CCCCOCF 78f6a2560292de5460d17953e3976f02 [1,0,1,0,0,0|2,0,0]=4 776 B7R0.1 O=CCCNCCBr 291f019ce3bf899c9d2e33793b2b93f1 [1,0,1,0,0,0|2,0,0]=4 777 B7R0.1 O=CCCNCCF 03b16d128f405ac3e0d050695aad18fa [1,0,1,0,0,0|2,0,0]=4 778 B7R0.1 O=CCCNCCI 98b4f0ed1ee425ed4236063d3f41c320 [1,0,1,0,0,0|2,0,0]=4 779 B7R0.1 O=CCCNCCO 624a8e88bd3627d1f4811c83acb74cb8 [1,0,1,0,0,0|2,0,0]=4 780 B7R0.1 O=CCCNCCS 2c7d16d16b489acd0898d35ca2ec1288 [1,0,1,0,0,0|2,0,0]=4 781 B7R0.1 O=CCCOCCF 799d4b07b5e7a35b60f3a0c45dcb8147 [1,0,1,0,0,0|2,0,0]=4 782 B7R0.1 O=CCCOCCS 5ca5a4b308c3272ba99d0c42e8ac625b [1,0,1,0,0,0|2,0,0]=4 783 B7R0.1 O=CCNCCCCl b1d3b8faf2fb5ab605f4c9413bd0ce31 [1,0,1,0,0,0|2,0,0]=4 784 B7R0.1 O=CCNCCCO 68540a99f30371e028542cb2d30d539a [1,0,1,0,0,0|2,0,0]=4 785 B7R0.1 O=CCOCCCF 30c212e5e5e6bba647ac0be6ae41e232 [1,0,1,0,0,0|2,0,0]=4 786 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [1,0,1,0,0,0|2,0,0]=4 787 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [1,0,1,0,0,0|2,0,0]=4 788 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [1,0,1,0,0,0|2,0,0]=4 789 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [1,0,1,0,0,0|2,0,0]=4 790 B7R0.1 O=COCCOCF 26ea822921d5df0874b513814a734854 [1,0,1,0,0,0|2,0,0]=4 791 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [1,0,1,0,0,0|2,0,0]=4 792 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [1,0,1,0,0,0|2,0,0]=4 793 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [1,0,1,0,0,0|2,0,0]=4 794 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [1,0,1,0,0,0|2,0,0]=4 795 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [1,0,1,0,0,0|2,0,0]=4 796 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [1,0,1,0,0,0|2,0,0]=4 797 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [1,0,1,0,0,0|2,0,0]=4 798 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [1,0,1,0,0,0|2,0,0]=4 799 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [1,0,1,0,0,0|2,0,0]=4 800 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [1,0,1,0,0,0|2,0,0]=4 801 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [1,0,1,0,0,0|2,0,0]=4 802 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [1,0,1,0,0,0|1,0,0]=3 803 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [1,0,1,0,0,0|1,0,0]=3 804 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [1,0,1,0,0,0|1,0,0]=3 805 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [1,0,1,0,0,0|1,0,0]=3 806 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [1,0,1,0,0,0|1,0,0]=3 807 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [1,0,1,0,0,0|1,0,1]=4 808 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [1,0,1,0,0,0|1,0,1]=4 809 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [1,0,1,0,0,0|1,0,1]=4 810 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [1,0,1,0,0,0|1,0,1]=4 811 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [1,0,1,0,0,0|1,0,1]=4 812 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [1,0,1,0,0,0|2,0,0]=4 813 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [1,0,1,0,0,0|2,0,0]=4 814 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [1,0,1,0,0,0|2,0,0]=4 815 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [1,0,1,0,0,0|2,0,0]=4 816 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [1,0,1,0,0,0|2,0,0]=4 817 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [1,0,1,0,0,0|2,0,0]=4 818 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [1,0,1,0,0,0|2,0,0]=4 819 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [1,0,1,0,0,0|2,0,0]=4 820 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [1,0,1,0,0,0|2,0,0]=4 821 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [1,0,1,0,0,0|2,0,0]=4 822 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [1,0,1,0,0,0|2,0,0]=4 823 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [1,0,1,0,0,0|2,0,0]=4 824 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [1,0,1,0,0,0|2,0,0]=4 825 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [1,0,1,0,0,0|2,0,0]=4 826 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [1,0,1,0,0,0|1,0,0]=3 827 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [1,0,1,0,0,0|1,0,1]=4 828 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [1,0,1,0,0,0|1,0,1]=4 829 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [1,0,1,0,0,0|2,0,0]=4 830 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [1,0,1,0,0,0|1,0,1]=4 831 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [1,0,1,0,0,0|1,0,1]=4 832 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [1,0,1,0,0,0|1,0,0]=3 833 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [1,0,1,0,0,0|1,0,1]=4 834 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [1,0,1,0,0,0|1,0,1]=4 835 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [1,0,1,0,0,0|2,0,0]=4 836 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [1,0,1,0,0,0|2,0,0]=4 837 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [1,0,1,0,0,0|2,0,0]=4 838 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [1,0,1,0,0,0|2,0,0]=4 839 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [1,0,1,0,0,0|2,0,0]=4 840 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [1,0,1,0,0,0|2,0,0]=4 841 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [1,0,1,0,0,0|1,0,0]=3 842 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [1,0,1,0,0,0|1,0,1]=4 843 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [1,0,1,0,0,0|2,0,0]=4 844 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [1,0,1,0,0,0|1,0,0]=3 845 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [1,0,1,0,0,0|2,0,0]=4 846 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [1,0,1,0,0,0|2,0,0]=4 847 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [1,0,1,0,0,0|1,0,1]=4 848 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [1,0,1,0,0,0|2,0,0]=4 849 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [1,0,1,0,0,0|2,0,0]=4 850 B9R0.4 CC(=O)NC(C)CCCO a409476001ef0aff88161eb86bbe5db4 [0,1,1,0,0,0|2,0,0]=4 851 B9R0.4 CC(=O)N[C@H](C)CCCO 9a046063324b070dedfa3d3739745edc [0,1,1,0,0,0|2,0,0]=4 852 B9R0.4 CC(=O)OC(C)NCCBr 3f1c204a59be950e15bd4feaa3675001 [0,1,1,0,0,0|2,0,0]=4 853 B9R0.4 CC(=O)OC(C)NCCF 228736a205797ea15b61fd8e68b87e67 [0,1,1,0,0,0|2,0,0]=4 854 B9R0.4 CC(=O)OC(C)NCCI c286c8d763aee4f3868d0f17a0d94c3b [0,1,1,0,0,0|2,0,0]=4 855 B9R0.4 CC(=O)OC(C)NCCO ac5b0ecf8a083e3beb0c0204a7207851 [0,1,1,0,0,0|2,0,0]=4 856 B9R0.4 CC(=O)OC(C)NCCS 7d5c0fa70919a52ddfecf5135d6ca3d7 [0,1,1,0,0,0|2,0,0]=4 857 B9R0.4 CC(=O)OC(C)OCCF da7affa6b14ff4a99be2b6049cc00c20 [0,1,1,0,0,0|2,0,0]=4 858 B9R0.4 CC(=O)OC(C)OCCS 4f606964d17daf8060dfd0795b3ba543 [0,1,1,0,0,0|2,0,0]=4 859 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [0,1,1,0,0,0|1,0,0]=3 860 B9R0.4 CCCCC(C)OC(C)C 7d0041807bb32d7526544e4be63436cc [0,1,1,0,0,0|1,0,1]=4 861 B9R0.4 CCCCN(C)CC(=O)N 11a1371995cbb23558bde2849897cd1f [0,1,1,0,0,0|2,0,0]=4 862 B9R0.4 CCCCN(C)CC(=O)O 2ab0d2e55fe8aec010bf103a963bc69a [0,1,1,0,0,0|2,0,0]=4 863 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [0,1,1,0,0,0|1,0,0]=3 864 B9R0.4 CCCC[C@@H](C)OC(C)C f2902ac7b36ddb0c2d5e60097d1384f3 [0,1,1,0,0,0|1,0,1]=4 865 B9R0.4 CCCC[C@H](C)OC(C)C 8664abbc4990f641117154ef08ccd4ca [0,1,1,0,0,0|1,0,1]=4 866 B9R0.4 CCCNC(C)CC(=O)O 2d5bf9ae8b9d33e8e5f89637131f543d [0,1,1,0,0,0|2,0,0]=4 867 B9R0.4 CCCNC(C)OC(=O)C 284b4f4f851898134a79c6bd0e68afcb [0,1,1,0,0,0|1,0,0]=3 868 B9R0.4 CCCN[C@@H](C)CC(=O)O 7dd12827a70b6d0f3eb1d105dd87e0f1 [0,1,1,0,0,0|2,0,0]=4 869 B9R0.4 CCCN[C@H](C)CC(=O)O 49558fe427823d5af7fc8494312831dd [0,1,1,0,0,0|2,0,0]=4 870 B9R0.4 CCCOC(C)CC(=O)N 7cf4be07e7dc937d6ecb8463967854c0 [0,1,1,0,0,0|2,0,0]=4 871 B9R0.4 CCCOC(C)CC(=O)O 464f5b57c4d27de1c96f770591eff582 [0,1,1,0,0,0|2,0,0]=4 872 B9R0.4 CCCOC(C)OC(=O)C 6c8b7c881ac77e2983b8764698a63829 [0,1,1,0,0,0|1,0,0]=3 873 B9R0.4 CCCO[C@@H](C)CC(=O)O 672c62b3f5b285724de30ca7be3b4175 [0,1,1,0,0,0|2,0,0]=4 874 B9R0.4 CCCO[C@H](C)CC(=O)O 78d34951f815792f2a0561852a75d7ea [0,1,1,0,0,0|2,0,0]=4 875 B9R0.4 CCOCC(C)NC(=O)C 891e676bd6e096c9e78b579a4d42a446 [0,1,1,0,0,0|2,0,0]=4 876 B9R0.4 CCOC[C@@H](C)NC(=O)C 82a9a914977322c59ad71ebab295e094 [0,1,1,0,0,0|2,0,0]=4 877 B9R0.4 COCOC(C)OC(=O)C c73ebf630a8c2a58943bc42724d4d8d9 [0,1,1,0,0,0|2,0,0]=4 878 B9R0.5 C/C=C/C(C)OCCCC fe4021be7eb9ddab5576a9db273dea52 [0,1,1,0,0,0|2,0,0]=4 879 B9R0.5 C=CCC(C)CNCCC 57145e6cde5992e28644e2005aca4a52 [0,1,1,0,0,0|2,0,0]=4 880 B9R0.5 C=CCC(C)COCCC 7e85aeea39477af9cfd8878a56719121 [0,1,1,0,0,0|2,0,0]=4 881 B9R0.5 C=CCC(C)OCCCC f19d39a50fdfd6ad2267d2fbf05a2b41 [0,1,1,0,0,0|2,0,0]=4 882 B9R0.5 C=CC[C@@H](C)OCCCC b20fd45ea1dd5c3cccb6f7a22cc0e480 [0,1,1,0,0,0|2,0,0]=4 883 B9R0.5 C=CC[C@H](C)OCCCC 591b4bbc39f98a534a3a9dc1d5e7fa51 [0,1,1,0,0,0|2,0,0]=4 884 B9R0.5 CC=CC(C)OCCCC ac5240649470c3f452111f552f4c343a [0,1,1,0,0,0|2,0,0]=4 885 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [0,1,1,0,0,0|1,0,0]=3 886 B9R0.5 CCCCCC(C)OCC 730550df732f69eef1e6a549de510b2c [0,1,1,0,0,0|1,0,1]=4 887 B9R0.5 CCCCCC(C)OCF 91cb6ddeef5e8a675eb7cdefedcad036 [0,1,1,0,0,0|1,0,1]=4 888 B9R0.5 CCCCCN(C)CC=O 78bb5a09a7732691e4b2ef4ef4683cdd [0,1,1,0,0,0|2,0,0]=4 889 B9R0.5 CCCCC[C@@H](C)OCC 8f2bb2e64349b01f8c7137850e01df92 [0,1,1,0,0,0|1,0,1]=4 890 B9R0.5 CCCCC[C@@H](C)OCF dddbd16c736b0cf2a41037d9959ad3e8 [0,1,1,0,0,0|1,0,1]=4 891 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [0,1,1,0,0,0|1,0,0]=3 892 B9R0.5 CCCCC[C@H](C)OCC 2cf9a829d5eb89110544892bd459dee4 [0,1,1,0,0,0|1,0,1]=4 893 B9R0.5 CCCCC[C@H](C)OCF 127043f0fb9c13be21bff612ac563c1b [0,1,1,0,0,0|1,0,1]=4 894 B9R0.5 CCCNCC(C)OCC 67b61dd333dbaac4f86976019539379e [0,1,1,0,0,0|1,0,1]=4 895 B9R0.5 CCCOCC(C)OCC a9309e87d325b6f2b1644b3d0636499f [0,1,1,0,0,0|1,0,1]=4 896 B9R0.5 CCCOCC(C)OCF 3c217a0a0555b3f9e34d23a6269a5c80 [0,1,1,0,0,0|1,0,1]=4 897 B9R0.5 CCOCCN(C)CC=O 7acec88657f57cb021d93d1cfad83ba5 [0,1,1,0,0,0|2,0,0]=4 898 B9R0.5 CN(CC=O)CCCCO 837ff6a1ec2106692e579c582051f56a [0,1,1,0,0,0|2,0,0]=4 899 B9R0.5 COCCCN(C)CC=O 635fdf23af030f1cf489d4fee368aafe [0,1,1,0,0,0|2,0,0]=4 900 B9R0.8 CCCCN(C)C(=O)C=O ed88baf3777d406fb62edc639f2ad7fc [0,1,1,0,0,0|2,0,0]=4 901 B9R0.8 CCCCN(C)C(C)C=O 3e234b787b915a4fa23d538586656631 [0,1,1,0,0,0|2,0,0]=4 902 B9R0.8 CCCCN(C)[C@H](C)C=O 5a3e8452b96b13acaa984c292628b701 [0,1,1,0,0,0|2,0,0]=4 903 B9R0.18 C#CCOC(C)CCCC a6bf8a2fbde7f7937d084a3ce3f21abb [0,1,1,0,0,0|1,0,1]=4 904 B9R0.18 C#CCO[C@@H](C)CCCC d36d8187ba9fe99db945c7ac19c589a4 [0,1,1,0,0,0|1,0,1]=4 905 B9R0.18 C#CCO[C@H](C)CCCC 4f5dddefc5ccbd74a979c1cd0f8b39d1 [0,1,1,0,0,0|1,0,1]=4 906 B9R0.18 C=CCCC(C)OCC=O 245abb6264f9567ca70639c760a12645 [0,1,1,0,0,0|0,0,2]=4 907 B9R0.18 C=CCC[C@@H](C)OCC=O e49696fb124602a3eb80822ba9f553f3 [0,1,1,0,0,0|0,0,2]=4 908 B9R0.18 C=CCNC(C)CCCC b7e84b71e08b90f5001bff3ed3e79daa [0,1,1,0,0,0|2,0,0]=4 909 B9R0.18 C=CCN[C@H](C)CCCC 717efbfcef1985e4262e18519df5cea0 [0,1,1,0,0,0|2,0,0]=4 910 B9R0.18 C=CCOC(C)CCCC e05948ecaeff8c28551c390203faa54a [0,1,1,0,0,0|1,0,0]=3 911 B9R0.18 C=CCOC(C)CCOC f3c795786c7022d726115bd3f9ed9fd7 [0,1,1,0,0,0|2,0,0]=4 912 B9R0.18 C=CCOC(C)CCSC c718e5cdece70b71b1fcdd31f660a068 [0,1,1,0,0,0|2,0,0]=4 913 B9R0.18 C=CCOC(C)COCC 764c32529709baf48be8cb2233a09513 [0,1,1,0,0,0|2,0,0]=4 914 B9R0.18 C=CCO[C@@H](C)CCCC 785b4fd0e7d2a1185c3f37e0ca8f48b9 [0,1,1,0,0,0|1,0,0]=3 915 B9R0.18 C=CCO[C@H](C)CCCC 8279474ab6fe084178c62f137ffa8b53 [0,1,1,0,0,0|1,0,0]=3 916 B9R0.18 CC(CCCO)NCC=O c7f19c3ade85d6e05312f1a58a72a0b0 [0,1,1,0,0,0|2,0,0]=4 917 B9R0.18 CCC#CC(C)OCC=O 2b1abd7d5586aaa42e43353c0b47708a [0,1,1,0,0,0|0,0,2]=4 918 B9R0.18 CCCCC(C)COCC 58365c9c9e662717f1bbd5e7f384f400 [0,1,1,0,0,0|1,0,1]=4 919 B9R0.18 CCCCC(C)COCF 09ffbdc6b473e3828f87d6ed9dd457d6 [0,1,1,0,0,0|1,0,1]=4 920 B9R0.18 CCCCC(C)NCC=O 17b13b22e791a7a0520f1bfd34f0e857 [0,1,1,0,0,0|1,0,0]=3 921 B9R0.18 CCCCC(C)OCC#N a49c2f2b2ea1e149d9135336e3cfab81 [0,1,1,0,0,0|1,0,1]=4 922 B9R0.18 CCCCC(C)OCC=O eda04f1a17d81cf08f2f32366dad6c90 [0,1,1,0,0,0|0,0,0]=2 923 B9R0.18 CCCCC(C)OCCC 03a9a54da7ce8074115dc5963e2487d3 [0,1,1,0,0,0|1,0,1]=4 924 B9R0.18 CCCCC(C)OCCF 3f799a7d24890a960e30edb9bb965fe5 [0,1,1,0,0,0|1,0,1]=4 925 B9R0.18 CCCCC(C)OCCS 498240fa81efc48a364f781ba80a2136 [0,1,1,0,0,0|0,1,1]=4 926 B9R0.18 CCCCC(C)OCOC 2647a8351841aefd7767410eec944f14 [0,1,1,0,0,0|0,0,2]=4 927 B9R0.18 CCCCC(C)OCSC 675cf4242578276faef054101752fff5 [0,1,1,0,0,0|0,1,1]=4 928 B9R0.18 CCCCC(O)CNC=O eec15ce6abd05c06c56bfdaadbde9a0b [0,1,1,0,0,0|2,0,0]=4 929 B9R0.18 CCCCN(C)CCC=O bf49116c9af507ce2cb2ede0349f47b2 [0,1,1,0,0,0|2,0,0]=4 930 B9R0.18 CCCC[C@@H](C)NCC=O 04b56f2fdbafe2353e082e13229eedf1 [0,1,1,0,0,0|1,0,0]=3 931 B9R0.18 CCCC[C@@H](C)OCC#N 3768ccd6166470de9b4699e30d70c1fa [0,1,1,0,0,0|1,0,1]=4 932 B9R0.18 CCCC[C@@H](C)OCC=O 993915524a0a10ada5c5e7e66a19b57f [0,1,1,0,0,0|0,0,0]=2 933 B9R0.18 CCCC[C@@H](C)OCCC 3919e2b8d370ec3c53a10b41264f7777 [0,1,1,0,0,0|1,0,1]=4 934 B9R0.18 CCCC[C@@H](C)OCCF 9e6e7d202edc7f99d8130b72feff99d7 [0,1,1,0,0,0|1,0,1]=4 935 B9R0.18 CCCC[C@@H](C)OCCS da0dc6ff36920e5da60fbd4660080dd8 [0,1,1,0,0,0|0,1,1]=4 936 B9R0.18 CCCC[C@@H](C)OCSC 5f93169fe26264ec85ba889f3f1492c7 [0,1,1,0,0,0|0,1,1]=4 937 B9R0.18 CCCC[C@H](C)OCC#N 8fb280eb0fa37a708edcd7a81ea14614 [0,1,1,0,0,0|1,0,1]=4 938 B9R0.18 CCCC[C@H](C)OCC=O 64aea713a6e78b2a7c1dcccee369110a [0,1,1,0,0,0|0,0,0]=2 939 B9R0.18 CCCC[C@H](C)OCCC 66356f9f032d16fe1fbfbbab77eafd41 [0,1,1,0,0,0|1,0,1]=4 940 B9R0.18 CCCC[C@H](C)OCCF 452211e2967f01206ae8ab89031a98ce [0,1,1,0,0,0|1,0,1]=4 941 B9R0.18 CCCC[C@H](C)OCCS e7099a214ea1736c512624854b8788ff [0,1,1,0,0,0|0,1,1]=4 942 B9R0.18 CCCC[C@H](C)OCSC 6f25ee6b4cd5695fd2c5f7349596b758 [0,1,1,0,0,0|0,1,1]=4 943 B9R0.18 CCOCC(C)OCC=O 87171cd27869753cf4db9a5f37f279d2 [0,1,1,0,0,0|1,0,0]=3 944 B9R0.18 COCCC(C)OCC=O d178477da94c6d9f9961f612dbf593df [0,1,1,0,0,0|1,0,0]=3 945 B9R0.18 CSCCC(C)OCC=O 1beb2ad0681904a21447ab254d6c6257 [0,1,1,0,0,0|1,0,0]=3 946 B9R0.18 C[C@H](CCCO)CNC=O 55135246a811de86327512e6eb7c8cd9 [0,1,1,0,0,0|2,0,0]=4 947 B9R0.18 C[C@H](CCCO)NCC=O 60c5b1603c2bcf27c36775727a810895 [0,1,1,0,0,0|2,0,0]=4 948 B9R0.34 CCC(C)CC(C)NC=O da1680796a95364ea1511cef23b93312 [0,1,1,0,0,0|1,0,0]=3 949 B9R0.34 CCC(O)CN(C)CC=O e70ac0c48a159bedf4512721fbb9849c [0,1,1,0,0,0|2,0,0]=4 950 B9R0.40 CCCCC(CC)OCC f8505015964e9c49dca586a5dee77bc8 [0,1,1,0,0,0|1,0,1]=4 951 B9R0.40 CCCCC(CC)OCF 0e987e381d58de15ad70b5901cf1f3fd [0,1,1,0,0,0|1,0,1]=4 952 B9R0.40 CCCCC(CO)NC=O f57b27fd178a9c21476ed36190092a88 [0,1,1,0,0,0|1,0,0]=3 953 B9R0.40 CCCCN(CC)CC=O d871d9f188cada87ccdeb3afe3a7e109 [0,1,1,0,0,0|2,0,0]=4 954 B9R0.40 CCCC[C@@H](CO)NC=O 42c575253100261406d9404d8f784f62 [0,1,1,0,0,0|1,0,0]=3 955 B9R0.40 CCCC[C@H](CO)NC=O 8e288fee5f34d414b25597e2bfe4aa89 [0,1,1,0,0,0|1,0,0]=3 956 B9R0.40 CSCCC(CO)NC=O 68aaa4eb282b8a236b75d241474debc4 [0,1,1,0,0,0|2,0,0]=4 957 B9R0.40 CSCC[C@@H](CO)NC=O d2f210ede537b3bb2a60357b8814a073 [0,1,1,0,0,0|2,0,0]=4 958 B9R0.40 CSCC[C@H](CO)NC=O cc7aef84e49c6f0818ca22825b094c35 [0,1,1,0,0,0|2,0,0]=4 959 B9R0.40 O=CNC(CO)CCCO 0ab348ed17e29f13f068b776021b3b41 [0,1,1,0,0,0|2,0,0]=4 960 B9R0.48 CC(C)CCC(C)NC=O 0e29263a1badab455d9e9ecb6f4fc6bd [0,1,1,0,0,0|1,0,0]=3 961 B9R0.48 CC(C)CCC(C)OCF 60f38c3752acae577ed864cc86a1a5a9 [0,1,1,0,0,0|1,0,1]=4 962 B9R0.48 CC(C)CCN(C)CC=O 63e9028e1872ca734b43a3e2f79564b8 [0,1,1,0,0,0|2,0,0]=4 963 B9R0.48 CC(CCN(C)C)NC=O 85ac04c2bfc3fcba95d660dd80bebe67 [0,1,1,0,0,0|2,0,0]=4 964 B9R0.48 CC(O)CCN(C)CC=O 68d5890db2cadede87ecf10404f7c147 [0,1,1,0,0,0|2,0,0]=4 965 B9R0.48 CCOC(C)CCC(C)C 238b79e992f85c5e82c5f29d7dc01557 [0,1,1,0,0,0|1,0,1]=4 966 B9R0.48 C[C@@H](CCN(C)C)NC=O 5b57fd99dc1bb12d18329d62ec4f7e81 [0,1,1,0,0,0|2,0,0]=4 967 B9R0.48 C[C@H](CCN(C)C)NC=O 4e8c3bebb153fd5965552aebb697c744 [0,1,1,0,0,0|2,0,0]=4 968 B9R0.66 CC(C)(CCCO)NC=O bdfb5bba7f97be6a6c65d2922a696b78 [0,1,1,0,0,0|2,0,0]=4 969 B9R0.66 CCOCC(C)(C)NC=O c926b383b4d777b650d576cc6eae3720 [0,1,1,0,0,0|2,0,0]=4 970 B9R0.66 CCSCC(C)(C)NC=O 6470f94310c98505d2f9f8924079652a [0,1,1,0,0,0|2,0,0]=4 971 B9R0.66 CSCCC(C)(C)NC=O 453ee6b95425e18f1cf872ad5712f4da [0,1,1,0,0,0|2,0,0]=4 972 B9R0.2 C=C(C)COCCOC=O e8ff5eee3d0b7bf35567e690a7866878 [0,1,1,0,0,0|1,0,1]=4 973 B9R0.2 C=COCCCNC(C)C 777c7d2dfc8abf56f3a7c2b52ce50716 [0,1,1,0,0,0|2,0,0]=4 974 B9R0.2 C=COCCNCC(C)C a06e4680115927d5360f337be7af0873 [0,1,1,0,0,0|2,0,0]=4 975 B9R0.2 C=COCCNCC(C)O 789be98f12e5b0a06a59a99695d75afb [0,1,1,0,0,0|2,0,0]=4 976 B9R0.2 C=COCCNC[C@@H](C)O 987571217d13fe5ab112e0581a2d3587 [0,1,1,0,0,0|2,0,0]=4 977 B9R0.2 C=COCCNC[C@H](C)O 645d83b788089bb4ef88c7b87cc7e56a [0,1,1,0,0,0|2,0,0]=4 978 B9R0.2 C=COCCOCC(C)C 037c83e0afa78f2fb0f987f38801cc5b [0,1,1,0,0,0|2,0,0]=4 979 B9R0.2 CC(=O)NCCCCCCl 9810fdb3b44bef22ae3578265fbb7e47 [0,1,1,0,0,0|2,0,0]=4 980 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [0,1,1,0,0,0|2,0,0]=4 981 B9R0.2 CC(=O)OCCCOCF 839300b4a23ae7f13d770824ad5ba603 [0,1,1,0,0,0|2,0,0]=4 982 B9R0.2 CC(=O)OCCNCCBr 86e70651e2ef68f3f2552b68c9fd9535 [0,1,1,0,0,0|2,0,0]=4 983 B9R0.2 CC(=O)OCCNCCF bec963d44f70641aefa68f79b9e9f243 [0,1,1,0,0,0|2,0,0]=4 984 B9R0.2 CC(=O)OCCNCCI 512fc7b78f65a98aaa9b5a24a55dd29e [0,1,1,0,0,0|2,0,0]=4 985 B9R0.2 CC(=O)OCCNCCO fbc6a9b22162aa146956efcd3fed83de [0,1,1,0,0,0|2,0,0]=4 986 B9R0.2 CC(=O)OCCNCCS 0d342b6bb6a97266d2b38620542a908c [0,1,1,0,0,0|2,0,0]=4 987 B9R0.2 CC(=O)OCCOCCF 5233cd269967a92f3e4bf92bf7bbcb9d [0,1,1,0,0,0|2,0,0]=4 988 B9R0.2 CC(=O)OCCOCCS 63ea2c4adc5d14c13c2d8bc53161cf6c [0,1,1,0,0,0|2,0,0]=4 989 B9R0.2 CC(=O)OCNCCCCl 4c34a9d20da691b9859482fc9219ac0e [0,1,1,0,0,0|2,0,0]=4 990 B9R0.2 CC(=O)OCNCCCO 89aaf0a95b5cea62d4321235936deeff [0,1,1,0,0,0|2,0,0]=4 991 B9R0.2 CC(=O)OCOCCCF 2bfb3b9762b06c6017d0cd676ab47db2 [0,1,1,0,0,0|2,0,0]=4 992 B9R0.2 CC(=O)OCOCCCS 3586e68ace2929307ff5b4a00f63eae7 [0,1,1,0,0,0|2,0,0]=4 993 B9R0.2 CC(C)CCCCOCF f3b722f8d58182c1fd9af9438362dbc9 [0,1,1,0,0,0|1,0,1]=4 994 B9R0.2 CC(C)CCCNCC=O a9635929cb5f6673003ac83cb324a189 [0,1,1,0,0,0|2,0,0]=4 995 B9R0.2 CC(C)CCCOCC=O bdd24f9b5eb3e927a3ba2032fbfb17f1 [0,1,1,0,0,0|2,0,0]=4 996 B9R0.2 CC(C)CCNCCC=O 3b8ed8b8e431e36419922df1c8d0950c [0,1,1,0,0,0|2,0,0]=4 997 B9R0.2 CC(C)CCOCCC=O 35e5fe09d7f172e01a3fc9fb57f41a74 [0,1,1,0,0,0|2,0,0]=4 998 B9R0.2 CC(C)CNCCCC=O 872fc89896121b754faaba603a4d1689 [0,1,1,0,0,0|2,0,0]=4 999 B9R0.2 CC(C)COCCCC=O 9c821c872d407f7f9bdf7808cd327ff2 [0,1,1,0,0,0|2,0,0]=4 1000 B9R0.2 CC(C)COCCNC=O a0952173bb62da1f84f22c4def655b76 [0,1,1,0,0,0|2,0,0]=4 1001 B9R0.2 CC(C)COCCOC=O 93375745bf75f1308b2bac5c5e314bd3 [0,1,1,0,0,0|1,0,0]=3 1002 B9R0.2 CC(C)OCCCCC=O 2da322abd65c1cb61d17df904562e2b4 [0,1,1,0,0,0|2,0,0]=4 1003 B9R0.2 CC(C)OCCCNC=O e96409307329684ed58a23e721f30ca6 [0,1,1,0,0,0|2,0,0]=4 1004 B9R0.2 CC(C)SCCCNC=O df15df0d049edf2c640ed4bbc56cdc64 [0,1,1,0,0,0|2,0,0]=4 1005 B9R0.2 CC(F)COCCCC=O 45096cdcd588570c1ee49532928d3413 [0,1,1,0,0,0|2,0,0]=4 1006 B9R0.2 CC(O)CCNCCC=O dad92ac32d5c5e0bc77e419c63b4a071 [0,1,1,0,0,0|2,0,0]=4 1007 B9R0.2 CC(O)CNCCCC=O daeba85824bf9b8a7fe9f07668cb65d2 [0,1,1,0,0,0|2,0,0]=4 1008 B9R0.2 CC(S)COCCCC=O 2376ada453809bf361ec74ea138f968f [0,1,1,0,0,0|2,0,0]=4 1009 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [0,1,1,0,0,0|1,0,0]=3 1010 B9R0.2 CCCCCCOC(C)C 7177762ff96f664d7658fbf17ddec082 [0,1,1,0,0,0|1,0,1]=4 1011 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [0,1,1,0,0,0|2,0,0]=4 1012 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [0,1,1,0,0,0|2,0,0]=4 1013 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [0,1,1,0,0,0|2,0,0]=4 1014 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [0,1,1,0,0,0|2,0,0]=4 1015 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [0,1,1,0,0,0|2,0,0]=4 1016 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [0,1,1,0,0,0|2,0,0]=4 1017 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [0,1,1,0,0,0|2,0,0]=4 1018 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [0,1,1,0,0,0|2,0,0]=4 1019 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [0,1,1,0,0,0|2,0,0]=4 1020 B9R0.2 CCCCNCOC(=O)C f747ae8d75ae5077cb457c21af32c3d4 [0,1,1,0,0,0|1,0,0]=3 1021 B9R0.2 CCCCNCSC(=O)N c68e80692e27dc4bcd1af702e7ea36a7 [0,1,1,0,0,0|1,1,0]=4 1022 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [0,1,1,0,0,0|2,0,0]=4 1023 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [0,1,1,0,0,0|2,0,0]=4 1024 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [0,1,1,0,0,0|2,0,0]=4 1025 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [0,1,1,0,0,0|2,0,0]=4 1026 B9R0.2 CCCCOCNC(=O)N c8570fe5b0fca07c49ea855c2c714e28 [0,1,1,0,0,0|2,0,0]=4 1027 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [0,1,1,0,0,0|1,0,0]=3 1028 B9R0.2 CCCCOCSC(=O)N d1d81793d91d56bfe6b40ff2fdeafcee [0,1,1,0,0,0|1,1,0]=4 1029 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [0,1,1,0,0,0|2,0,0]=4 1030 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [0,1,1,0,0,0|2,0,0]=4 1031 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [0,1,1,0,0,0|2,0,0]=4 1032 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [0,1,1,0,0,0|2,0,0]=4 1033 B9R0.2 CCCNCCNC(=O)N eba9cf87c3d4b4412b3b52d629da0618 [0,1,1,0,0,0|2,0,0]=4 1034 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [0,1,1,0,0,0|1,0,0]=3 1035 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [0,1,1,0,0,0|1,1,0]=4 1036 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [0,1,1,0,0,0|2,0,0]=4 1037 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [0,1,1,0,0,0|2,0,0]=4 1038 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [0,1,1,0,0,0|2,0,0]=4 1039 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [0,1,1,0,0,0|2,0,0]=4 1040 B9R0.2 CCCOCCNC(=O)N de0f07e5faa70e06a173f52c30b9f0f6 [0,1,1,0,0,0|2,0,0]=4 1041 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [0,1,1,0,0,0|1,0,0]=3 1042 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [0,1,1,0,0,0|1,1,0]=4 1043 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [0,1,1,0,0,0|2,0,0]=4 1044 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [0,1,1,0,0,0|2,0,0]=4 1045 B9R0.2 CCNCCCNC(=O)C 81f3181e8e4443de7d578da2748320f4 [0,1,1,0,0,0|2,0,0]=4 1046 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [0,1,1,0,0,0|2,0,0]=4 1047 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [0,1,1,0,0,0|2,0,0]=4 1048 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [0,1,1,0,0,0|2,0,0]=4 1049 B9R0.2 CCOCCCCC(C)C 342635d8f7fe78b6b1c62374e4a1ad34 [0,1,1,0,0,0|1,0,1]=4 1050 B9R0.2 CCOCCCNC(=O)C c5dadd69f1df46bcde7d3d147d2b830b [0,1,1,0,0,0|2,0,0]=4 1051 B9R0.2 CCOCCCOC(=O)C 521ac746c4773e46268f3042c9c9e91c [0,1,1,0,0,0|1,0,0]=3 1052 B9R0.2 CCOCCCO[N+](=O)[O-] 671da1fb10fc3d567c6bf28af17e030a [0,1,1,0,0,0|2,0,0]=4 1053 B9R0.2 CCOCCCSC(=O)C c7c25084ef75859ffb4a847bdfcca873 [0,1,1,0,0,0|1,1,0]=4 1054 B9R0.2 CN(C)CCCCNC=O 2e9bad4ba89324f58cb42b7773bcd69a [0,1,1,0,0,0|2,0,0]=4 1055 B9R0.2 CN(C)COCCOC=O 42383fbf9ac9af51652831d0be7b6dd0 [0,1,1,0,0,0|2,0,0]=4 1056 B9R0.2 COCCCCNC(=O)C 4f652cda1775947bb169784843d0beab [0,1,1,0,0,0|2,0,0]=4 1057 B9R0.2 COCCNCOC(=O)C 7c792011f968ec1a1d9667b50dc4d640 [0,1,1,0,0,0|2,0,0]=4 1058 B9R0.2 COCCOCOC(=O)C 3c0c9969f08b445ef676eb92f534751f [0,1,1,0,0,0|2,0,0]=4 1059 B9R0.2 COCOCCOC(=O)C c1d21b4657b103686de2e70024d8053c [0,1,1,0,0,0|2,0,0]=4 1060 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [0,1,1,0,0,0|2,0,0]=4 1061 B9R0.2 CSCCNCOC(=O)C 4a9417d660a2b8f603a487e0613a69d1 [0,1,1,0,0,0|2,0,0]=4 1062 B9R0.2 CSCCOCOC(=O)C 4ce161e7666f6d339ad656d877b5738e [0,1,1,0,0,0|2,0,0]=4 1063 B9R0.2 CSCOCCOC(=O)C 85f658ca31404ad6a9d937e79a707f17 [0,1,1,0,0,0|2,0,0]=4 1064 B9R0.2 C[C@@H](F)COCCCC=O 15ec93434fa37469dace6cc0d307b1c7 [0,1,1,0,0,0|2,0,0]=4 1065 B9R0.2 C[C@@H](O)CCNCCC=O 6661f70d05883b3717e63de7ccf03505 [0,1,1,0,0,0|2,0,0]=4 1066 B9R0.2 C[C@@H](O)CNCCCC=O 6e8902a63b22adf010822e70d20b9de4 [0,1,1,0,0,0|2,0,0]=4 1067 B9R0.2 C[C@H](F)COCCCC=O cd3cf6e1ccde2460618b3cd07e9f0c33 [0,1,1,0,0,0|2,0,0]=4 1068 B9R0.2 C[C@H](O)CCNCCC=O 3db470150683485e06f6af186a125748 [0,1,1,0,0,0|2,0,0]=4 1069 B9R0.2 C[C@H](O)CNCCCC=O 97a2309139eba09278aa90c3d2821b80 [0,1,1,0,0,0|2,0,0]=4 1070 B9R0.2 O=CNCCCCC(F)F a4b2e7fcaed3b86f361e3ba8965c8b25 [0,1,1,0,0,0|2,0,0]=4 1071 B9R0.2 O=COCCOCC(F)F 381d7bd9c83ca8a439f79ab3fced2463 [0,1,1,0,0,0|2,0,0]=4 1072 B9R0.45 C#CCCCCCNC=O 353c9727650993b322d351830acdf93c [0,1,1,0,0,0|1,0,1]=4 1073 B9R0.45 C#CCCCCOCC=O 7374e2bc75ec57e5871816f717aa486e [0,1,1,0,0,0|0,0,2]=4 1074 B9R0.45 C#CCCOCCOC=O 83211b3a9a2875ee4d94d6c4e4081a42 [0,1,1,0,0,0|0,0,2]=4 1075 B9R0.45 C#CCOCCCCCC f5db1c348f2482ec2d74aff14ea6fbb8 [0,1,1,0,0,0|1,0,1]=4 1076 B9R0.45 C/C=C/CCCOCC=O 1133dd39557966bbfc717550ad829422 [0,1,1,0,0,0|0,0,2]=4 1077 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [0,1,1,0,0,0|2,0,0]=4 1078 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [0,1,1,0,0,0|2,0,0]=4 1079 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [0,1,1,0,0,0|2,0,0]=4 1080 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [0,1,1,0,0,0|2,0,0]=4 1081 B9R0.45 C/C=C/COCCOC=O e819ad25deb5d2df2d81c446421a10a2 [0,1,1,0,0,0|0,0,2]=4 1082 B9R0.45 C/C=C\CCCNCCC bd38004b14a3ffe818d001cefe29aee7 [0,1,1,0,0,0|2,0,0]=4 1083 B9R0.45 C/C=C\CCCOCC=O d18705bb046350f1567ecd8aed8ca6a7 [0,1,1,0,0,0|0,0,2]=4 1084 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [0,1,1,0,0,0|2,0,0]=4 1085 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [0,1,1,0,0,0|2,0,0]=4 1086 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [0,1,1,0,0,0|2,0,0]=4 1087 B9R0.45 C/C=C\COCCOC=O 17d1af70c1d9a0bec32f4992817ff790 [0,1,1,0,0,0|0,0,2]=4 1088 B9R0.45 C=CCCCCCNC=O 37acb8face8da4e33847766c3e966de6 [0,1,1,0,0,0|1,0,1]=4 1089 B9R0.45 C=CCCCCCNCC 890f1c6c1d85667d7cffa859ba2c1d3e [0,1,1,0,0,0|2,0,0]=4 1090 B9R0.45 C=CCCCCCOCC 23f590b48ebd5146440db0699ec4bb83 [0,1,1,0,0,0|2,0,0]=4 1091 B9R0.45 C=CCCCCNCCC 1c3124d4bfead54322e8b6cd10acbe7e [0,1,1,0,0,0|2,0,0]=4 1092 B9R0.45 C=CCCCCOCC=O 4cdebe78f89dc273e9c86e4da9bd53c6 [0,1,1,0,0,0|0,0,2]=4 1093 B9R0.45 C=CCCCCOCCC f624e5cfeefd7c8f70f95b431a05113e [0,1,1,0,0,0|2,0,0]=4 1094 B9R0.45 C=CCCCNCCCC fa1d0b4e193451fb553c9cd2afd75cca [0,1,1,0,0,0|2,0,0]=4 1095 B9R0.45 C=CCCCOCCCC e8806365586991cd800b2ef6da7fc881 [0,1,1,0,0,0|2,0,0]=4 1096 B9R0.45 C=CCCNCCCCC a855019ae48c9b8cf6923444d001ccd3 [0,1,1,0,0,0|2,0,0]=4 1097 B9R0.45 C=CCCOCCCCC 6e7cf8472e35f7c7bd7858bc8c7bfd04 [0,1,1,0,0,0|2,0,0]=4 1098 B9R0.45 C=CCCOCCOC=O 669d6dddab0aec33a8de73c11c6d8591 [0,1,1,0,0,0|0,0,2]=4 1099 B9R0.45 C=CCNCCCCCC 6384eba9acd253c5ddf82f9491922adb [0,1,1,0,0,0|2,0,0]=4 1100 B9R0.45 C=CCOCCCCCC 87e2c78ad35addafbe1ba3af3a2416ee [0,1,1,0,0,0|1,0,0]=3 1101 B9R0.45 C=CCOCCCCOC 128cb8201d6a9addfa90ce2aa3d56855 [0,1,1,0,0,0|2,0,0]=4 1102 B9R0.45 C=CCOCCCCSC d6f879632d2f8647ad8df3191aa8d592 [0,1,1,0,0,0|2,0,0]=4 1103 B9R0.45 C=CCOCCCOCC 07f39b6bf8d420b1e0d79a059a1cabfd [0,1,1,0,0,0|2,0,0]=4 1104 B9R0.45 C=CCOCCCSCC 010127de1abeb4b03bb349c6ddd307c9 [0,1,1,0,0,0|2,0,0]=4 1105 B9R0.45 C=CCOCCNCCC 9694c4d9a9f18cb3ea4ec1572bfb4ddb [0,1,1,0,0,0|2,0,0]=4 1106 B9R0.45 C=CCOCCOCCC efb69812f28efe0f9f62374b7669e490 [0,1,1,0,0,0|2,0,0]=4 1107 B9R0.45 C=CCOCCSCCC 06be4be84f87fa36d14a267f98502073 [0,1,1,0,0,0|2,0,0]=4 1108 B9R0.45 C=COCCCCOCC af306989d4deb93a89f269ce19f884c9 [0,1,1,0,0,0|1,0,0]=3 1109 B9R0.45 C=COCCCCOCF 50c0607f55a8209e7fc37c96dd312573 [0,1,1,0,0,0|2,0,0]=4 1110 B9R0.45 C=COCCCNCCC 48f364dfd76ffa0b91930c0b5e61593d [0,1,1,0,0,0|1,0,0]=3 1111 B9R0.45 C=COCCCNCCF 8a4377b1293c4c3a356c117bc22f1276 [0,1,1,0,0,0|2,0,0]=4 1112 B9R0.45 C=COCCCNCCO 06c96074c4860e09f343f58912e6352b [0,1,1,0,0,0|2,0,0]=4 1113 B9R0.45 C=COCCCNCCS 82042d396eed08d179f973d36b8680d2 [0,1,1,0,0,0|2,0,0]=4 1114 B9R0.45 C=COCCCNCOC 7165fb7dc1db9d60dd04e6f58d60b83f [0,1,1,0,0,0|2,0,0]=4 1115 B9R0.45 C=COCCCNCSC 1218193fde8f5b9da4d83a81f4ceeacd [0,1,1,0,0,0|2,0,0]=4 1116 B9R0.45 C=COCCNCCCC a4714520314ca7cd019c104ad0112ac9 [0,1,1,0,0,0|1,0,0]=3 1117 B9R0.45 C=COCCNCCCF f3e2b4fd1de0dc9bbf62d1b344a7bac4 [0,1,1,0,0,0|2,0,0]=4 1118 B9R0.45 C=COCCNCCCO d27f80adf1430ea08deaa2cefb519d7b [0,1,1,0,0,0|2,0,0]=4 1119 B9R0.45 C=COCCNCCCS 3141383726fb60b6effd0dcc6457a22f [0,1,1,0,0,0|2,0,0]=4 1120 B9R0.45 C=COCCNCCOC 8998d3f2852cb060cf80f9e513ded42d [0,1,1,0,0,0|2,0,0]=4 1121 B9R0.45 C=COCCNCCSC 0eb4df1ced90f3cd2e7965b4838f2c42 [0,1,1,0,0,0|2,0,0]=4 1122 B9R0.45 C=COCCNCOCC 1307fb188bd023c0a1e33682053c534b [0,1,1,0,0,0|2,0,0]=4 1123 B9R0.45 C=COCCOCCCC c861b9e6afb5156062cdccf5beab2100 [0,1,1,0,0,0|1,0,0]=3 1124 B9R0.45 C=COCCOCCCF 325dbbe62a7d23e9a09f0f079dac21f6 [0,1,1,0,0,0|2,0,0]=4 1125 B9R0.45 C=COCCOCCCS 84870c3b7ba54bfa81156e923badff1a [0,1,1,0,0,0|2,0,0]=4 1126 B9R0.45 C=COCCOCCOC d5c7454fb8eeee486998f67fc36cc9ef [0,1,1,0,0,0|2,0,0]=4 1127 B9R0.45 C=COCCOCCSC 711c9866788c25cca93044aa576a1794 [0,1,1,0,0,0|2,0,0]=4 1128 B9R0.45 C=COCCOCOCC 126e9a328f128a52a96dcf4759bdbcbd [0,1,1,0,0,0|2,0,0]=4 1129 B9R0.45 CC#CCCCOCC=O 663ad91ba809ad42bac7437ef74a39d4 [0,1,1,0,0,0|0,0,2]=4 1130 B9R0.45 CC#CCOCCOC=O 99367d885087b4d5132fdf1004ef0c19 [0,1,1,0,0,0|0,0,2]=4 1131 B9R0.45 CC/C=C/CCOCC=O ad17a670e163a34530891c854a5f696c [0,1,1,0,0,0|0,0,2]=4 1132 B9R0.45 CC/C=C\CCOCC=O 43305c6de6e2aa8f989b2fa311880427 [0,1,1,0,0,0|0,0,2]=4 1133 B9R0.45 CC=CCCCOCC=O a48ec6b46a57870327d7e3aa293527bd [0,1,1,0,0,0|0,0,2]=4 1134 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [0,1,1,0,0,0|2,0,0]=4 1135 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [0,1,1,0,0,0|2,0,0]=4 1136 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [0,1,1,0,0,0|2,0,0]=4 1137 B9R0.45 CCC#CCCOCC=O f3592ea51856d33dfc0b4bb86b6a1514 [0,1,1,0,0,0|0,0,2]=4 1138 B9R0.45 CCC/C=C/COCC=O 4b38aa72153068d33113c423eeaba184 [0,1,1,0,0,0|0,0,2]=4 1139 B9R0.45 CCC/C=C\COCC=O bf01e182e8daf457f7933faee15ce932 [0,1,1,0,0,0|0,0,2]=4 1140 B9R0.45 CCCC#CCOCC=O a97331af7fccddc94ac63e85e9270e0b [0,1,1,0,0,0|0,0,2]=4 1141 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [0,1,1,0,0,0|1,0,0]=3 1142 B9R0.45 CCCCCCCOCC afc5a86de4d9d2aada96fa893fe06937 [0,1,1,0,0,0|1,0,1]=4 1143 B9R0.45 CCCCCCCOCF 34dddba0abdfe53e071e6123614e32ad [0,1,1,0,0,0|1,0,1]=4 1144 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [0,1,1,0,0,0|1,0,0]=3 1145 B9R0.45 CCCCCCOCC#N 41f322377cad05989d164a4262163638 [0,1,1,0,0,0|1,0,1]=4 1146 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [0,1,1,0,0,0|0,0,0]=2 1147 B9R0.45 CCCCCCOCCC e53b5b4f9e861a4f0969c775813c954e [0,1,1,0,0,0|1,0,1]=4 1148 B9R0.45 CCCCCCOCCF 5c07b9abefb4c7383b2510ed2f25aa7d [0,1,1,0,0,0|1,0,1]=4 1149 B9R0.45 CCCCCCOCCS dfca5cb8f17cf53fc21013be4aea075a [0,1,1,0,0,0|0,1,1]=4 1150 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [0,1,1,0,0,0|0,0,2]=4 1151 B9R0.45 CCCCCCOCSC ea8aeb7aec2e44107948b184f1a2484b [0,1,1,0,0,0|0,1,1]=4 1152 B9R0.45 CCCCCNC/C=C/Cl dd2b4d6593db8690c89984276577f51f [0,1,1,0,0,0|2,0,0]=4 1153 B9R0.45 CCCCCNC/C=C\Cl fb74b9636967ca4beacb07a8f7ddd469 [0,1,1,0,0,0|2,0,0]=4 1154 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [0,1,1,0,0,0|1,0,1]=4 1155 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [0,1,1,0,0,0|1,0,0]=3 1156 B9R0.45 CCCCCNCOCC 106dd0a5d7506881af71fe2f076cb844 [0,1,1,0,0,0|1,0,1]=4 1157 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [0,1,1,0,0,0|2,0,0]=4 1158 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [0,1,1,0,0,0|2,0,0]=4 1159 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [0,1,1,0,0,0|2,0,0]=4 1160 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [0,1,1,0,0,0|1,0,0]=3 1161 B9R0.45 CCCCCOCOCC 61d6517ecd367dc788621782453f190f [0,1,1,0,0,0|1,0,1]=4 1162 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [0,1,1,0,0,0|1,0,0]=3 1163 B9R0.45 CCCCNCCOCC 39271ffac0a4948f82700c61c9eec153 [0,1,1,0,0,0|1,0,1]=4 1164 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [0,1,1,0,0,0|1,0,1]=4 1165 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [0,1,1,0,0,0|1,0,0]=3 1166 B9R0.45 CCCCOCCNC=O 4226cf4337dc176d54852a303582fe15 [0,1,1,0,0,0|1,0,0]=3 1167 B9R0.45 CCCCOCCOC=O 731530ac43d06b0807181f538b37c31d [0,1,1,0,0,0|0,0,0]=2 1168 B9R0.45 CCCCOCCOCC bc40d3f7a271e2ee8715a56f03d564ef [0,1,1,0,0,0|1,0,1]=4 1169 B9R0.45 CCCCOCCOCF 07adb0bf6498af630a31d7ca7d57b829 [0,1,1,0,0,0|1,0,1]=4 1170 B9R0.45 CCCCSCCOCC 696d57545195b0a32e7d1cb44c602929 [0,1,1,0,0,0|1,0,1]=4 1171 B9R0.45 CCCCSCCOCF 2ebbef8cba35a7b011868c08f9cbced9 [0,1,1,0,0,0|1,0,1]=4 1172 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [0,1,1,0,0,0|1,0,0]=3 1173 B9R0.45 CCCNCCCOCC a836c1341cedce3cb982b7dda3393120 [0,1,1,0,0,0|1,0,1]=4 1174 B9R0.45 CCCNCCOCC=O 1acace12342365729be0b4a1c8839b77 [0,1,1,0,0,0|1,0,0]=3 1175 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [0,1,1,0,0,0|1,0,0]=3 1176 B9R0.45 CCCOCCCNC=O 3f83c74e540093398b86151d188b589d [0,1,1,0,0,0|1,0,0]=3 1177 B9R0.45 CCCOCCCOCC 7ae5cc2cef81f72870de148e55495f6e [0,1,1,0,0,0|1,0,1]=4 1178 B9R0.45 CCCOCCNCC=O cdec424df104fd1655eaaf340942285e [0,1,1,0,0,0|2,0,0]=4 1179 B9R0.45 CCCOCCOCC=O 486de8dd4e53e5f78a86ffc7c128bf3d [0,1,1,0,0,0|1,0,0]=3 1180 B9R0.45 CCCSCCOCC=O e8465b63891a9e011620a8eb43746fcd [0,1,1,0,0,0|1,0,0]=3 1181 B9R0.45 CCOCCCCCCF 1581be03b145221792da0e70f0dc7ced [0,1,1,0,0,0|1,0,1]=4 1182 B9R0.45 CCOCCCCCCS 890481a3122baa8d804b207afa67ebc3 [0,1,1,0,0,0|1,0,1]=4 1183 B9R0.45 CCOCCCNCC=O 1df50ec465f64bbc25635b22e5db7849 [0,1,1,0,0,0|2,0,0]=4 1184 B9R0.45 CCOCCCOCC=O cf6a32481fe179a2dab7e02bde302388 [0,1,1,0,0,0|1,0,0]=3 1185 B9R0.45 CCOCCNCCC=O 1589f5d637413f41c0bad2d8a4cd3b81 [0,1,1,0,0,0|2,0,0]=4 1186 B9R0.45 CCOCCOCCC=O fba0b09a493de7243832a69755d5a406 [0,1,1,0,0,0|2,0,0]=4 1187 B9R0.45 CCOCOCCCC=O 8ebce82bd916a55c6d87bc905a09f51f [0,1,1,0,0,0|2,0,0]=4 1188 B9R0.45 CCOCOCCNC=O 1f04069abdc79a13f2b31dcce221deef [0,1,1,0,0,0|2,0,0]=4 1189 B9R0.45 CCOCOCCOC=O 3f9d016c5825b4d3c13708d373f1904b [0,1,1,0,0,0|1,0,0]=3 1190 B9R0.45 CCSCCCCNC=O e3da595d950c9d5eba0c543529449821 [0,1,1,0,0,0|1,0,0]=3 1191 B9R0.45 CCSCCCOCC=O ff794a905fa0fbec7cf974222d58c65f [0,1,1,0,0,0|1,0,0]=3 1192 B9R0.45 CCSCCNCCC=O a73cdd3c5e667bfa86a2f130b2447f60 [0,1,1,0,0,0|2,0,0]=4 1193 B9R0.45 CCSCCOCCC=O 4abc77696f56ecc9cbf6b43c5ce07dd7 [0,1,1,0,0,0|2,0,0]=4 1194 B9R0.45 COCCCCCNC=O e93060d28d3ca03cb27bbc266d47205c [0,1,1,0,0,0|1,0,0]=3 1195 B9R0.45 COCCCCNCC=O bc0f621bc614bad8c542e04b6f8c00d4 [0,1,1,0,0,0|2,0,0]=4 1196 B9R0.45 COCCCCOCC=O 5bf6bdc536c03e33ef79afe0bce39d17 [0,1,1,0,0,0|1,0,0]=3 1197 B9R0.45 COCCCNCCC=O b57190bb20fa468cbc8789f244d6b619 [0,1,1,0,0,0|2,0,0]=4 1198 B9R0.45 COCCCOCCC=O b6a7a464a93f4512a62aaafac7d2c3bf [0,1,1,0,0,0|2,0,0]=4 1199 B9R0.45 COCCNCCCC=O 8de8c440c27ce646b454682cc54ec04c [0,1,1,0,0,0|2,0,0]=4 1200 B9R0.45 COCCOCCCC=O 4eced31e0a91724ea66865665efb8a73 [0,1,1,0,0,0|2,0,0]=4 1201 B9R0.45 COCCOCCNC=O 5e7b5dc6a2bdf3c54f930b381d1b5f5a [0,1,1,0,0,0|2,0,0]=4 1202 B9R0.45 COCCOCCOC=O e4b02c69ad76bfd6e69932198cedf7cf [0,1,1,0,0,0|1,0,0]=3 1203 B9R0.45 COCOCCCCC=O 1e9f4f95dc82f1192a72acc421b3ceb4 [0,1,1,0,0,0|2,0,0]=4 1204 B9R0.45 COCOCCOCC=O 56cd8f5e42e3aae0878d43f728c9efb2 [0,1,1,0,0,0|2,0,0]=4 1205 B9R0.45 CSCCCCNCC=O ceb16b1926dbac74a0dccfe6e9c90c38 [0,1,1,0,0,0|2,0,0]=4 1206 B9R0.45 CSCCCCOCC=O c382918f846eeb37fed2c51c97422532 [0,1,1,0,0,0|1,0,0]=3 1207 B9R0.45 CSCCCNCCC=O d38fed5441cd6c2e041c6d8986238557 [0,1,1,0,0,0|2,0,0]=4 1208 B9R0.45 CSCCCOCCC=O 8295bf8657dc69649b9faab665f00482 [0,1,1,0,0,0|2,0,0]=4 1209 B9R0.45 CSCCNCCCC=O 8d7d5642d85386280bfc36051d0df084 [0,1,1,0,0,0|2,0,0]=4 1210 B9R0.45 CSCCOCCCC=O 52e7ca7dbd7d70965091faf706831a8b [0,1,1,0,0,0|2,0,0]=4 1211 B9R0.45 CSCCOCCNC=O 45e773006217e1f2d795f168e07555a6 [0,1,1,0,0,0|2,0,0]=4 1212 B9R0.45 CSCCOCCOC=O 40e891e92003ea888885a83977e0fbb7 [0,1,1,0,0,0|1,0,0]=3 1213 B9R0.45 CSCOCCCCC=O e279a2cb99bc97e67b45db8cbfac7c12 [0,1,1,0,0,0|2,0,0]=4 1214 B9R0.45 CSCOCCOCC=O bffa0b86bda7eab4537345618cfe61ad [0,1,1,0,0,0|2,0,0]=4 1215 B9R0.45 FCCCCCCOCF 7fc0be4fea9d788b90d0660a719e3795 [0,1,1,0,0,0|1,0,1]=4 1216 B9R0.45 FCOCCCCCCS bc16a0c993f73bdeec29888445293583 [0,1,1,0,0,0|1,0,1]=4 1217 B9R0.45 N#CCCCCCNC=O a3dece92023954edd0841cbe0f7c23ab [0,1,1,0,0,0|1,0,1]=4 1218 B9R0.45 N#CCCCCOCC=O a86c5ccc5668a8da4e1062f9b8cd25d8 [0,1,1,0,0,0|1,0,1]=4 1219 B9R0.45 N#CCCOCCOC=O 3ba0cd1e8f3895f4b647eab387820cdb [0,1,1,0,0,0|1,0,1]=4 1220 B9R0.45 O=CCCCCNCCBr 5abec0ed0917442c8c232cdb425a9841 [0,1,1,0,0,0|2,0,0]=4 1221 B9R0.45 O=CCCCCNCCF eb9f24cce8e482daf38d14d9d549bbb1 [0,1,1,0,0,0|2,0,0]=4 1222 B9R0.45 O=CCCCCNCCI 70b4665906e4318f4c49372e2844c374 [0,1,1,0,0,0|2,0,0]=4 1223 B9R0.45 O=CCCCCNCCO 85ae23fbf5ae9276f3b511278a68fed1 [0,1,1,0,0,0|2,0,0]=4 1224 B9R0.45 O=CCCCCNCCS deffd1d2c176beb2f0f71b26a9711ee2 [0,1,1,0,0,0|2,0,0]=4 1225 B9R0.45 O=CCCCCOCC=O 7ef8386ecbb49019770effbfa4132a27 [0,1,1,0,0,0|1,0,1]=4 1226 B9R0.45 O=CCCCCOCCF 9b2c7b33aa8c8f306ca8eb570fcf7b58 [0,1,1,0,0,0|2,0,0]=4 1227 B9R0.45 O=CCCCCOCCS bc4f0fef628b9966ab9f3b44089a7d10 [0,1,1,0,0,0|2,0,0]=4 1228 B9R0.45 O=CCCCNCCCCl 3dae4dda634271ae27163fd45f5d3163 [0,1,1,0,0,0|2,0,0]=4 1229 B9R0.45 O=CCCCNCCCO 58ef7b77b7be690608fd65ce9c6abe71 [0,1,1,0,0,0|2,0,0]=4 1230 B9R0.45 O=CCCCOCCCF e1070872c292eb7b879ef21318c9c15c [0,1,1,0,0,0|2,0,0]=4 1231 B9R0.45 O=CCCCOCCCS 138cbbec11bd45b1a4d85bf9b5287b7a [0,1,1,0,0,0|2,0,0]=4 1232 B9R0.45 O=CCCNCCCCCl f851f5adb29aefdb303aca6a0afddb51 [0,1,1,0,0,0|2,0,0]=4 1233 B9R0.45 O=CCCNCCCCO e756673586d39ac10639a8b5db39bc11 [0,1,1,0,0,0|2,0,0]=4 1234 B9R0.45 O=CCCNCCCCS a16cbec588d57d2616e56c10fc4cf764 [0,1,1,0,0,0|2,0,0]=4 1235 B9R0.45 O=CCCOCCCCF b28a94840b1fc0f0b86ff0a09810e8f8 [0,1,1,0,0,0|2,0,0]=4 1236 B9R0.45 O=CCCOCCCCS 1e02f2461dcb63ee34b6c10ad7ae6e80 [0,1,1,0,0,0|2,0,0]=4 1237 B9R0.45 O=CCCOCCOC=O 481f74f4a74e340c595a87b689454483 [0,1,1,0,0,0|1,0,1]=4 1238 B9R0.45 O=CCNCCCCCCl a090314f6f7fb6541d79b47c4505cb08 [0,1,1,0,0,0|2,0,0]=4 1239 B9R0.45 O=CCNCCCCCO e20d30c887448f62cb966ff66604b03d [0,1,1,0,0,0|2,0,0]=4 1240 B9R0.45 O=CCOCCNCCBr 9819b5c51421182fcdb248da2578a61b [0,1,1,0,0,0|2,0,0]=4 1241 B9R0.45 O=CCOCCNCCF e9530f27022516b2df446fd4acb3c2b4 [0,1,1,0,0,0|2,0,0]=4 1242 B9R0.45 O=CCOCCNCCI 982e6a53b402275ae463ac8e959e2533 [0,1,1,0,0,0|2,0,0]=4 1243 B9R0.45 O=CCOCCNCCO a2db44e87b2fb5f984ed853f6da8166f [0,1,1,0,0,0|2,0,0]=4 1244 B9R0.45 O=CCOCCNCCS 30555c8d14175bdff7d9852359d5da46 [0,1,1,0,0,0|2,0,0]=4 1245 B9R0.45 O=CCOCCOCCF 8034a51f97cd228bd06c22d3c7378cb2 [0,1,1,0,0,0|2,0,0]=4 1246 B9R0.45 O=CCOCCOCCS 78becc0461eb1993db100c499f5982b4 [0,1,1,0,0,0|2,0,0]=4 1247 B9R0.45 O=CNCCCCCCCl a8d8b40eb8e24dc175f39e3613e37fe1 [0,1,1,0,0,0|1,0,0]=3 1248 B9R0.45 O=CNCCCCCCO da506faeac8e24bf810b2dadaf20a2f0 [0,1,1,0,0,0|1,0,0]=3 1249 B9R0.45 O=CNCCCOCCO c13219eb813f52a6a7b71943199239d8 [0,1,1,0,0,0|2,0,0]=4 1250 B9R0.45 O=CNCCOCCCF aecb41e1dec5d5cfb70b44dddd0a16bd [0,1,1,0,0,0|2,0,0]=4 1251 B9R0.45 O=CNCCOCCCO 2927b39b5e49691c6067a00f092b2e7d [0,1,1,0,0,0|2,0,0]=4 1252 B9R0.45 O=CNCCOCCCS 2f83dfa3851bd131879a6c8d5ea708d2 [0,1,1,0,0,0|2,0,0]=4 1253 B9R0.45 O=COCCOCCCF c6307ebf3fb8c4d9a04e9e143e22f0f0 [0,1,1,0,0,0|1,0,0]=3 1254 B9R0.45 O=COCCOCCCS d7818eb647bba146b010bb20a5b86538 [0,1,1,0,0,0|1,0,0]=3 1255 B9R0.46 C=C(C=O)OCCCCC 73f23f9026875d2248a24c18d18361c4 [0,1,1,0,0,0|2,0,0]=4 1256 B9R0.46 C=COCCNC(C)CC 96268375baa943486c5bcb44f6e7b72c [0,1,1,0,0,0|2,0,0]=4 1257 B9R0.46 C=COCCOC(C)CC 2985a6aa5e711a9babef791b93b4a616 [0,1,1,0,0,0|2,0,0]=4 1258 B9R0.46 CC(CO)CCCNC=O 2da4c407608a3357ec193b0031a8c7cf [0,1,1,0,0,0|2,0,0]=4 1259 B9R0.46 CCC(C)CCCOCF 25eeed0d978fad0afbb1541ecdc0db9d [0,1,1,0,0,0|1,0,1]=4 1260 B9R0.46 CCC(C)CCNCC=O a6e7e31b7174e33afbb2e49091f71799 [0,1,1,0,0,0|2,0,0]=4 1261 B9R0.46 CCC(C)CCOCC=O ffa804ef82eba2baed5b236b8174cc5b [0,1,1,0,0,0|2,0,0]=4 1262 B9R0.46 CCC(C)CNCCC=O d1c23829c335ff019dcbfacafd5d0460 [0,1,1,0,0,0|2,0,0]=4 1263 B9R0.46 CCC(C)COCCC=O 2d73e4df98095e84f26e8630b8c1ab90 [0,1,1,0,0,0|2,0,0]=4 1264 B9R0.46 CCC(C)NCCCC=O ed3b198797f9907d63520eb2a7b47340 [0,1,1,0,0,0|2,0,0]=4 1265 B9R0.46 CCC(C)OCCCC=O 490e4bd62c6c0bc054893d7857d462c9 [0,1,1,0,0,0|2,0,0]=4 1266 B9R0.46 CCC(C)OCCNC=O a01a9adcadc461327c7aab245a262d96 [0,1,1,0,0,0|2,0,0]=4 1267 B9R0.46 CCC(C)OCCOC=O 186c75d581c36984caa7089474780127 [0,1,1,0,0,0|1,0,0]=3 1268 B9R0.46 CCC(O)CNCCC=O cd5859b03f179b813ebaa6940985c168 [0,1,1,0,0,0|2,0,0]=4 1269 B9R0.46 CCC(S)CCOCC=O ec52efc3fa4920f55eb496eb0701f7dc [0,1,1,0,0,0|2,0,0]=4 1270 B9R0.46 CCCCCCN(C)C=O bb80d4044c0f59026002adf38475cf21 [0,1,1,0,0,0|1,0,0]=3 1271 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [0,1,1,0,0,0|2,0,0]=4 1272 B9R0.46 CCCCCNC(C)C=O a1e76f644541968a2425e9e5ecba0c50 [0,1,1,0,0,0|2,0,0]=4 1273 B9R0.46 CCCCCN[C@H](C)C=O f165fdff1e1cb70bd9666da848ba80ab [0,1,1,0,0,0|2,0,0]=4 1274 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [0,1,1,0,0,0|2,0,0]=4 1275 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [0,1,1,0,0,0|2,0,0]=4 1276 B9R0.46 CCCOCCN(C)C=O 1992e4eb6f9e42487b54ea3b9d8f7b64 [0,1,1,0,0,0|2,0,0]=4 1277 B9R0.46 CCN(C)CCCCC=O 74bce0e309052ddf19f81d22decddd11 [0,1,1,0,0,0|2,0,0]=4 1278 B9R0.46 CCN(C)CCCNC=O a00a4d07cd80f4382708c0945aa2c234 [0,1,1,0,0,0|2,0,0]=4 1279 B9R0.46 CCOCCCC(C)CC 0ea2c075acda26928eb230e2cbdf0ebc [0,1,1,0,0,0|1,0,1]=4 1280 B9R0.46 CCOCCC[C@@H](C)CC d4ed2edda0b29eae54d6246c567e945f [0,1,1,0,0,0|1,0,1]=4 1281 B9R0.46 CC[C@@H](C)COCCC=O 73ea6284a99d686bca8912bc4d397db8 [0,1,1,0,0,0|2,0,0]=4 1282 B9R0.46 CC[C@@H](C)NCCCC=O e1be8b6d98f789c65613c869a985540c [0,1,1,0,0,0|2,0,0]=4 1283 B9R0.46 CC[C@@H](C)OCCCC=O affc126d70813ac032232a3d21f0923c [0,1,1,0,0,0|2,0,0]=4 1284 B9R0.46 CC[C@@H](O)CNCCC=O 7c53ec8f7aba46128b14d414a03d6336 [0,1,1,0,0,0|2,0,0]=4 1285 B9R0.46 CC[C@H](C)CCCOCF 194911e0348f65d440f6b1ae1cabf828 [0,1,1,0,0,0|1,0,1]=4 1286 B9R0.46 CC[C@H](C)CCOCC=O 80dda8846c63ca08a849cc59acf34bed [0,1,1,0,0,0|2,0,0]=4 1287 B9R0.46 CC[C@H](C)CNCCC=O e358f485d099c641cfa1fcd506941f98 [0,1,1,0,0,0|2,0,0]=4 1288 B9R0.46 CC[C@H](C)COCCC=O 02998a6cb7d56226c823a7da35ede65f [0,1,1,0,0,0|2,0,0]=4 1289 B9R0.46 CC[C@H](C)NCCCC=O 27877691633ef91afbfdce76ea02c29f [0,1,1,0,0,0|2,0,0]=4 1290 B9R0.46 CC[C@H](C)OCCCC=O 0bd2ba4d0329602504b9b03e6e85ee4b [0,1,1,0,0,0|2,0,0]=4 1291 B9R0.46 CN(C=O)CCCCCO c53771f4b7aac7f2d7cf4ff756dc1493 [0,1,1,0,0,0|2,0,0]=4 1292 B9R0.46 COCCCCN(C)C=O c4af9136179b3511052f27a49eec2e11 [0,1,1,0,0,0|2,0,0]=4 1293 B9R0.12 CCC(C)C(CO)NC=O 5c179e5dbf30713710d115bdaf54bfc5 [0,1,1,0,0,0|2,0,0]=4 1294 B9R0.12 CCC(O)C(CC)NC=O 46201a24567777837b8f03c0021cc041 [0,1,1,0,0,0|1,0,0]=3 1295 B9R0.12 CCCN(CC)C(=O)C=O a19f97e09aa2fe0ef98428a0a9f1811e [0,1,1,0,0,0|2,0,0]=4 1296 B9R0.12 CCCN(CC)C(C)C=O 8a6514457cf8a83910db4ecc29f223cb [0,1,1,0,0,0|2,0,0]=4 1297 B9R0.12 CCCN(CC)[C@H](C)C=O ceb9a99ce36145d5dafaf734e00c59aa [0,1,1,0,0,0|2,0,0]=4 1298 B9R0.12 CC[C@@H](C)[C@H](CO)NC=O c73220cc765c315148b2e8b86c603524 [0,1,1,0,0,0|2,0,0]=4 1299 B9R0.12 CC[C@H](C)[C@@H](CO)NC=O 9a4c2431f2dee04525d5ce74b8c56c00 [0,1,1,0,0,0|2,0,0]=4 1300 B9R0.14 CC(C)CC(CO)NC=O 2401a4af5f90f2ad600b0ec39355d7f1 [0,1,1,0,0,0|2,0,0]=4 1301 B9R0.14 CC(C)C[C@@H](CO)NC=O 18f9ed63fde76e1cc00bd712daefc11f [0,1,1,0,0,0|2,0,0]=4 1302 B9R0.14 CC(C)C[C@H](CO)NC=O ff770270429d63a77a333a5d1c96a15e [0,1,1,0,0,0|2,0,0]=4 1303 B9R0.14 CCC(CN(C)C)NC=O 1235696c89992e36494b92eb971536e9 [0,1,1,0,0,0|2,0,0]=4 1304 B9R0.14 CCC(COC)NC(=O)C 33391342a5047426c06babf996f3c088 [0,1,1,0,0,0|2,0,0]=4 1305 B9R0.14 CCCC(CC)OC(C)C c50b63b5afd43bc9dd207a7943b338ed [0,1,1,0,0,0|1,0,1]=4 1306 B9R0.14 CCCC(CO)NC(=O)C f3bf17abc83f73293b80dc3dfcb282f9 [0,1,1,0,0,0|2,0,0]=4 1307 B9R0.14 CCCN(CC)CC(=O)N 9bf9e40bad95314a8a84e74e0471e384 [0,1,1,0,0,0|2,0,0]=4 1308 B9R0.14 CCCN(CC)CC(=O)O 3343166bff6a93f1a85ce8253803b19e [0,1,1,0,0,0|2,0,0]=4 1309 B9R0.14 CCC[C@@H](CC)OC(C)C a39a86427e11d72d6f7273e04c6ecbea [0,1,1,0,0,0|1,0,1]=4 1310 B9R0.14 CCC[C@@H](CO)NC(=O)C 1f7828ff873e7c1f12c0daf2d17463c6 [0,1,1,0,0,0|2,0,0]=4 1311 B9R0.14 CCC[C@H](CO)NC(=O)C da4d526e59be455b3e6f6ae6f972462b [0,1,1,0,0,0|2,0,0]=4 1312 B9R0.14 CCN(CC=O)CC(C)C 297e969ab1e837d2bbd0539198015021 [0,1,1,0,0,0|2,0,0]=4 1313 B9R0.14 CCN(CC=O)CC(C)O ed1b313135103c68d3a3fd7202af2a6d [0,1,1,0,0,0|2,0,0]=4 1314 B9R0.14 CCN(CC=O)C[C@H](C)O c51b4b749ce3f8308a5e40010dd9e954 [0,1,1,0,0,0|2,0,0]=4 1315 B9R0.14 CCNC(CC)CC(=O)O 46b3094fad7cebceb8943df84913f37e [0,1,1,0,0,0|2,0,0]=4 1316 B9R0.14 CCN[C@@H](CC)CC(=O)O 21df25326eabd4481a004736f4916afa [0,1,1,0,0,0|2,0,0]=4 1317 B9R0.14 CCN[C@H](CC)CC(=O)O a15a38745d4cdc3a3747943041323451 [0,1,1,0,0,0|2,0,0]=4 1318 B9R0.14 CCOC(CC)CC(=O)O 067fe73a7b822a47a7ba0f3d160fbef0 [0,1,1,0,0,0|2,0,0]=4 1319 B9R0.14 CCO[C@@H](CC)CC(=O)O 33e42c57d3d148d94f92e79e109828f9 [0,1,1,0,0,0|2,0,0]=4 1320 B9R0.14 CCO[C@H](CC)CC(=O)O 455a3fd4e9034df148e3bfd48e87cfe6 [0,1,1,0,0,0|2,0,0]=4 1321 B9R0.15 CC(C)C(CCO)NC=O e12943deb791d78016913eb4bab64cb3 [0,1,1,0,0,0|2,0,0]=4 1322 B9R0.15 CCCC(OCC)C(C)C e92d999be069504d5fc7f6e2735d7a96 [0,1,1,0,0,0|1,0,1]=4 1323 B9R0.15 CCCC(OCF)C(C)C 0ef7c4f36b8fd0d0fc148d8413dbc8c9 [0,1,1,0,0,0|1,0,1]=4 1324 B9R0.15 CCCN(CC=O)C(C)C 35466d46e78549c3f1ea3d38e32be947 [0,1,1,0,0,0|2,0,0]=4 1325 B9R0.15 COCC(NC=O)C(C)C 6d4a9693309f79b18084e24108b1069b [0,1,1,0,0,0|2,0,0]=4 1326 B9R0.15 COC[C@@H](NC=O)C(C)C 4ceceae0168b803b0270694120f14c1d [0,1,1,0,0,0|2,0,0]=4 1327 B9R0.15 COC[C@H](NC=O)C(C)C b6e0e4558c7d7711b8543fe6166439ec [0,1,1,0,0,0|2,0,0]=4 1328 B9R0.17 CCCC(CCC)NC=O 807aff51f1fe24d356c6711fc8370f90 [0,1,1,0,0,0|1,0,0]=3 1329 B9R0.17 CCCC(CCC)OCC eaefef31a773bb3c066a25cae0992714 [0,1,1,0,0,0|1,0,1]=4 1330 B9R0.17 CCCC(CCC)OCF ba5ef35becd613f75720a15441855b31 [0,1,1,0,0,0|1,0,1]=4 1331 B9R0.17 CCCC(CCO)NC=O f887f8e048c82ec42b3b224f31c660de [0,1,1,0,0,0|1,0,0]=3 1332 B9R0.17 CCCN(CC=O)CCC 3f7ee899d33e18ef7369adb9b220d9b3 [0,1,1,0,0,0|2,0,0]=4 1333 B9R0.17 CCCN(CC=O)CCO 138004b89d5c4657e701909e51217872 [0,1,1,0,0,0|2,0,0]=4 1334 B9R0.17 COCC(CCO)NC=O 041b3216dea15bf357ed6b311d97fceb [0,1,1,0,0,0|2,0,0]=4 1335 B9R0.17 COCC(COC)NC=O a4ba2755183f02d9e0eab56c89d31eb0 [0,1,1,0,0,0|2,0,0]=4 1336 B9R0.59 CCCC(C)(CO)NC=O 552042b121c4cca548e7f645f7563aba [0,1,1,0,0,0|2,0,0]=4 1337 B9R1.1 CC1CCN(CC1)C=O cd1885c4b5a60655a81f4f7aac11f926 [1,1,0,0,0,0|1,0,0]=3 1338 B9R1.1 CN1CCN(CC1)C=O 425b0a0854116b4d34ccf791328ead5e [1,1,0,0,0,0|2,0,0]=4 1339 B9R1.1 O=CN1CCC(CC1)Cl 0f8885b1cbec326e72007210720ce685 [1,1,0,0,0,0|1,0,0]=3 1340 B9R1.1 O=CN1CCC(CC1)F a8375fcd63170cc85e942f6f795820d2 [1,1,0,0,0,0|1,0,0]=3 1341 B9R1.1 O=CN1CCC(CC1)I 09840532f9aae62595854240e3123351 [1,1,0,0,0,0|1,0,0]=3 1342 B9R1.1 O=CN1CCC(CC1)O 9119fcb5a9f758b718576c8b3456fe09 [1,1,0,0,0,0|1,0,0]=3 1343 B9R1.2 CC1CCCN(C1)C=O 5a06aa6b42e18f18aee9823269dae409 [1,1,0,0,0,0|1,0,0]=3 1344 B9R1.2 CC1CN(CCO1)C=O 419911434d41e805d16780cbe76cce9d [1,1,0,0,0,0|2,0,0]=4 1345 B9R1.2 C[C@@H]1CCCN(C1)C=O b5e680c9235a8f69b3718f41b577e428 [1,1,0,0,0,0|1,0,0]=3 1346 B9R1.2 C[C@@H]1CN(CCO1)C=O b5db532eab9a99bf3ba15375dd3b6f02 [1,1,0,0,0,0|2,0,0]=4 1347 B9R1.2 C[C@H]1CCCN(C1)C=O 4dab749a75683c45748ebdcac3ae2c8b [1,1,0,0,0,0|1,0,0]=3 1348 B9R1.2 C[C@H]1CN(CCO1)C=O df29ae4feffabe0da5bd47bb2c69d059 [1,1,0,0,0,0|2,0,0]=4 1349 B9R1.2 O=CN1CCCC(=O)C1 853ed8a7ea6d407efd205be254a69349 [1,1,0,0,0,0|1,0,1]=4 1350 B9R1.2 O=CN1CCCC(C1)F 04917882399611fcb80fb86df59a89e2 [1,1,0,0,0,0|1,0,0]=3 1351 B9R1.2 O=CN1CCCC(C1)O 0df930667a84d8d3d91a613bfd57f133 [1,1,0,0,0,0|1,0,0]=3 1352 B9R1.2 O=CN1CCC[C@@H](C1)F 8bf0e6ef9ed8e1b7cb36e4499af92a58 [1,1,0,0,0,0|1,0,0]=3 1353 B9R1.2 O=CN1CCC[C@@H](C1)O 50e0b44fd1f0b47772960747a9d4dc2e [1,1,0,0,0,0|1,0,0]=3 1354 B9R1.2 O=CN1CCC[C@H](C1)F ec017dd9294189577b258dfb95fb493e [1,1,0,0,0,0|1,0,0]=3 1355 B9R1.2 O=CN1CCC[C@H](C1)O 1099b25f2d4ea20dc0b6d23f3ff3e4f6 [1,1,0,0,0,0|1,0,0]=3 1356 B9R1.6 CC(=O)N1CCCOC1 736ab4cc5910e1cdbf1f270a5cd9760a [1,1,0,0,0,0|2,0,0]=4 1357 B9R1.6 CC(=O)N1CCCSC1 1ff1106b7e69aa264320301adcb4387e [1,1,0,0,0,0|2,0,0]=4 1358 B9R1.6 CC(=O)N1CCOCC1 b274306c5ecbdaabc7e8d85c11df9df8 [1,1,0,0,0,0|2,0,0]=4 1359 B9R1.6 CC(=O)N1CCSCC1 a2a73cc62f318cd0138a717f4c94c193 [1,1,0,0,0,0|2,0,0]=4 1360 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [1,1,0,0,0,0|1,0,0]=3 1361 B9R1.15 CC1COCCN1C=O 04bb76f81435fa2bb54099b84251b430 [1,1,0,0,0,0|2,0,0]=4 1362 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [1,1,0,0,0,0|1,0,0]=3 1363 B9R1.15 C[C@@H]1COCCN1C=O 0c7d5e9730004733a4641e1221ef05f8 [1,1,0,0,0,0|2,0,0]=4 1364 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [1,1,0,0,0,0|1,0,0]=3 1365 B9R1.15 C[C@H]1COCCN1C=O 768699be3648dab4c6a8b1f24cf31cd1 [1,1,0,0,0,0|2,0,0]=4 1366 B9R1.7 CC1CCC(C1)NC=O 86b9d16d14b01af118f6eff98f26bcb3 [0,1,0,0,1,0|1,0,0]=3 1367 B9R1.7 CC1CCC(C1)OCF 9089501ad242f89319fa28aecc141070 [0,1,0,0,1,0|1,0,1]=4 1368 B9R1.7 CC1CCN(C1)CC=O 60f84b0ab71f7f996705ad5037a1aec2 [0,1,0,0,1,0|2,0,0]=4 1369 B9R1.7 CCOC1CCC(C1)C 2e79cb3e7d53d70b7a3a49594f9b7572 [0,1,0,0,1,0|1,0,1]=4 1370 B9R1.7 CCOC1CCC(C1)F cb7366f0f3c88496c0dd299220151677 [0,1,0,0,1,0|1,0,1]=4 1371 B9R1.7 FCOC1CCC(C1)F cb731a7dd7f85be41196b1e7732d848e [0,1,0,0,1,0|1,0,1]=4 1372 B9R1.7 O=CCN1CCC(C1)F f060a91610fd1c160462b8451592274c [0,1,0,0,1,0|2,0,0]=4 1373 B9R1.7 O=CCN1CCC(C1)O 99e2f8a92ac31be412a249812f35919e [0,1,0,0,1,0|2,0,0]=4 1374 B9R1.7 O=CCN1CC[C@@H](C1)F 3f3302fb44a2f6535f8baf3daa5909e7 [0,1,0,0,1,0|2,0,0]=4 1375 B9R1.7 O=CCN1CC[C@@H](C1)O 24c35e433dba4bd0d149bd5947289fc2 [0,1,0,0,1,0|2,0,0]=4 1376 B9R1.7 O=CCN1CC[C@H](C1)F 19a6e702b7550830275cbcf7f340a515 [0,1,0,0,1,0|2,0,0]=4 1377 B9R1.7 O=CCN1CC[C@H](C1)O ed1c58142b5d5eed74956f954dbf3a4e [0,1,0,0,1,0|2,0,0]=4 1378 B9R1.7 O=CNC1CCC(C1)O 9cc0bb9735d2014b640fab8dcfdfefc4 [0,1,0,0,1,0|1,0,0]=3 1379 B9R1.7 O=CN[C@@H]1CC[C@@H](C1)O 6b6f95f63e2bfc66d50e9dc0e05ccf52 [0,1,0,0,1,0|1,0,0]=3 1380 B9R1.7 O=CN[C@@H]1CC[C@H](C1)O 05e9ad2eeb1cb0070327160fd3027c54 [0,1,0,0,1,0|1,0,0]=3 1381 B9R1.7 O=CN[C@H]1CC[C@@H](C1)O 2acd9ee67829d57d2e126fa249833c6a [0,1,0,0,1,0|1,0,0]=3 1382 B9R1.7 O=CN[C@H]1CC[C@H](C1)O 94a849c4445c8edddaa5dbfc86e7851c [0,1,0,0,1,0|1,0,0]=3 1383 B9R1.11 CN(C=O)C1CCOC1 25ca4f16a91f3107ff9e87d5adde4584 [0,1,0,0,1,0|2,0,0]=4 1384 B9R1.11 CN(C=O)[C@@H]1CCOC1 f85136c46c3b0a309253c227707c27ca [0,1,0,0,1,0|2,0,0]=4 1385 B9R1.11 CN(C=O)[C@H]1CCOC1 0259ec1bf703c36ed28ab9e80f8e89f6 [0,1,0,0,1,0|2,0,0]=4 1386 B9R1.12 C#CCOC1CCCC1 8722ca3512977b1a522adee489822a80 [0,1,0,0,1,0|1,0,1]=4 1387 B9R1.12 C=CCNC1CCCC1 a44dfccd7811107fa017bf97428af755 [0,1,0,0,1,0|2,0,0]=4 1388 B9R1.12 C=CCOC1CCCC1 22f7677a5a2db535f14966e96785d78f [0,1,0,0,1,0|1,0,0]=3 1389 B9R1.12 C=CCOC1CCCO1 07dc06b14814543ad8fc1e6830b8ad31 [0,1,0,0,1,0|2,0,0]=4 1390 B9R1.12 C=CCOC1CCOC1 f7dcb259ebd712ed1d20050b5ae42528 [0,1,0,0,1,0|2,0,0]=4 1391 B9R1.12 C=CCOC1CCSC1 91499e92622fab1e7f2c5e46ab4d9b5c [0,1,0,0,1,0|2,0,0]=4 1392 B9R1.12 C=CCO[C@@H]1CCOC1 1c87c5212babdae70db54e2b4f5cebba [0,1,0,0,1,0|2,0,0]=4 1393 B9R1.12 C=CCO[C@@H]1CCSC1 c475f04d972d75c445b64dea1f91dbe8 [0,1,0,0,1,0|2,0,0]=4 1394 B9R1.12 C=CCO[C@H]1CCOC1 6ac41eef9f664c640abe61f0570c0c4d [0,1,0,0,1,0|2,0,0]=4 1395 B9R1.12 C=CCO[C@H]1CCSC1 3a48bba6ccea0d1c14e655596734cc66 [0,1,0,0,1,0|2,0,0]=4 1396 B9R1.12 CCCOC1CCCC1 8b31bdd2ae6636509668964f17d3af12 [0,1,0,0,1,0|1,0,1]=4 1397 B9R1.12 CCOCC1CCCC1 78dfb99153363e6ae71186392081c4c4 [0,1,0,0,1,0|1,0,1]=4 1398 B9R1.12 COCOC1CCCC1 2943e1e93dd873c7391396ec9633419e [0,1,0,0,1,0|0,0,2]=4 1399 B9R1.12 CSCOC1CCCC1 4d4f03fa523a880c781e82e000450363 [0,1,0,0,1,0|0,1,1]=4 1400 B9R1.12 FCCOC1CCCC1 b4ff08bedab1a43d91a75b49048b20b0 [0,1,0,0,1,0|1,0,1]=4 1401 B9R1.12 FCOCC1CCCC1 adc3b963cccb9f54cfa066ef371e1987 [0,1,0,0,1,0|1,0,1]=4 1402 B9R1.12 N#CCOC1CCCC1 597d114ba6fc77410ee8043a322c52e4 [0,1,0,0,1,0|1,0,1]=4 1403 B9R1.12 O=CCNC1CCCC1 5c29f4b53ebb87f60f2e590cae79d70e [0,1,0,0,1,0|1,0,0]=3 1404 B9R1.12 O=CCNC1CCOC1 5ebd18c32723aecf0a10ba0b1026f623 [0,1,0,0,1,0|2,0,0]=4 1405 B9R1.12 O=CCNC1CCSC1 94dd37d0be671d43fdf2361d32027eb7 [0,1,0,0,1,0|2,0,0]=4 1406 B9R1.12 O=CCN[C@@H]1CCOC1 c004fef25816fba950d6dc5d24530df6 [0,1,0,0,1,0|2,0,0]=4 1407 B9R1.12 O=CCN[C@H]1CCOC1 9ca8efb181f33f329c38592f6f8b2f1d [0,1,0,0,1,0|2,0,0]=4 1408 B9R1.12 O=CCOC1C=CCC1 41dbe9bc4abbc85f5c193c497af03476 [0,1,0,0,1,0|0,0,2]=4 1409 B9R1.12 O=CCOC1CC=CC1 aada3e65c14b3e8caa11088140cc3e4a [0,1,0,0,1,0|0,0,2]=4 1410 B9R1.12 O=CCOC1CCCC1 a6adf3d3a9898d822d20d244584a5d22 [0,1,0,0,1,0|0,0,0]=2 1411 B9R1.12 O=CCOC1CCCO1 b12387ccaf578e9136cfdda5442c6ed5 [0,1,0,0,1,0|1,0,0]=3 1412 B9R1.12 O=CCOC1CCOC1 dc39bcd71af6fa4a51e765dc1c7cc22b [0,1,0,0,1,0|1,0,0]=3 1413 B9R1.12 O=CCOC1CCSC1 d2117f08ca242a7df7aed3c889c7183d [0,1,0,0,1,0|1,0,0]=3 1414 B9R1.12 O=CCO[C@@H]1CCOC1 ba6a023905b97fe4c3886891f0169109 [0,1,0,0,1,0|1,0,0]=3 1415 B9R1.12 O=CCO[C@@H]1CCSC1 c32996f1fdfc0ecf3541c8ebef4f1bfc [0,1,0,0,1,0|1,0,0]=3 1416 B9R1.12 O=CCO[C@H]1CCOC1 ba4a88d81a344c083f0092fd5cbc39ac [0,1,0,0,1,0|1,0,0]=3 1417 B9R1.12 O=CCO[C@H]1CCSC1 1a840422c6e1aec7b7491b309995c9af [0,1,0,0,1,0|1,0,0]=3 1418 B9R1.12 O=CNCC1CCCC1 07bc0016cbba20adfd4b5def8fc2be28 [0,1,0,0,1,0|1,0,0]=3 1419 B9R1.12 O=CNCC1CCCO1 119dc507c9398e42b1f4ed984596ee10 [0,1,0,0,1,0|2,0,0]=4 1420 B9R1.12 O=CNCC1CCOC1 d0a8b11bfe41f1a2881d21d4b8d8fda7 [0,1,0,0,1,0|2,0,0]=4 1421 B9R1.12 O=CNC[C@@H]1CCCO1 1db6e6cf4b42f513cad73704b19cd2ea [0,1,0,0,1,0|2,0,0]=4 1422 B9R1.12 O=CNC[C@@H]1CCOC1 0cdeaf208e802b3ac6af755e7b6ce1c7 [0,1,0,0,1,0|2,0,0]=4 1423 B9R1.12 O=CNC[C@H]1CCCO1 d67473c99765cbcf463c4cc54c44cf84 [0,1,0,0,1,0|2,0,0]=4 1424 B9R1.12 O=CNC[C@H]1CCOC1 3972f408d9cc05ccac06471e1022cfb3 [0,1,0,0,1,0|2,0,0]=4 1425 B9R1.12 SCCOC1CCCC1 ce0001e3012cc122d56bcdd753ee7ed0 [0,1,0,0,1,0|0,1,1]=4 1426 B9R1.13 CC(=O)NC1CCCC1 a2d6bc9cfdeb39e26a278a42ee1d6324 [0,1,0,0,1,0|1,0,0]=3 1427 B9R1.13 CC(=O)NC1CCOC1 c5177dfe9e6c084a2da585e140eb24a0 [0,1,0,0,1,0|2,0,0]=4 1428 B9R1.13 CC(=O)NC1CCSC1 730ac5b1a87c9b477c5040aed194c284 [0,1,0,0,1,0|2,0,0]=4 1429 B9R1.13 CC(=O)N[C@@H]1CCOC1 a0946b6158cd267ecce33909819f831a [0,1,0,0,1,0|2,0,0]=4 1430 B9R1.13 CC(=O)N[C@H]1CCOC1 1f47913b87a63d932081a27afac44166 [0,1,0,0,1,0|2,0,0]=4 1431 B9R1.13 CC(C)OC1CCCC1 215fe9a68b5f8765bce60b7c8e66fcb4 [0,1,0,0,1,0|1,0,1]=4 1432 B9R1.33 CC1CCCC1OCF 32f68f74d298f1c114dbc7dd09935821 [0,1,0,0,1,0|1,0,1]=4 1433 B9R1.33 CC1CCCN1CC=O 27928a5411863f8bf406ba8c60b72aa7 [0,1,0,0,1,0|2,0,0]=4 1434 B9R1.33 CCOC1CCCC1C e450d37d5269371ee21c4d9099cf78f8 [0,1,0,0,1,0|1,0,1]=4 1435 B9R1.33 CCO[C@@H]1CCC[C@@H]1C 48c6c8a377684215533cce2f3b7a040e [0,1,0,0,1,0|1,0,1]=4 1436 B9R1.33 CCO[C@@H]1CCC[C@H]1C 8546dfd57bc5bf5d07eccd29f6ea3a23 [0,1,0,0,1,0|1,0,1]=4 1437 B9R1.33 CCO[C@@H]1CCC[C@H]1F 72550d5d818c2295f7ce45f538a74c92 [0,1,0,0,1,0|1,0,1]=4 1438 B9R1.33 CCO[C@H]1CCC[C@@H]1C 572fc68e8a7c8a7220d19d5da78e401e [0,1,0,0,1,0|1,0,1]=4 1439 B9R1.33 CCO[C@H]1CCC[C@H]1C 292472170f80aa7cd37f5df4f5f5c571 [0,1,0,0,1,0|1,0,1]=4 1440 B9R1.33 C[C@@H]1CCCN1CC=O 628393964742a01eee790b1703c7f48c [0,1,0,0,1,0|2,0,0]=4 1441 B9R1.33 C[C@@H]1CCC[C@@H]1OCF 22b3e84f2ed8c44061bfce0789720234 [0,1,0,0,1,0|1,0,1]=4 1442 B9R1.33 C[C@@H]1CCC[C@H]1OCF 055ee3d509f14e26b1cd85bd2abbeffb [0,1,0,0,1,0|1,0,1]=4 1443 B9R1.33 C[C@H]1CCCN1CC=O 7489760bd07ab3dac73fc24ef598634e [0,1,0,0,1,0|2,0,0]=4 1444 B9R1.33 C[C@H]1CCC[C@@H]1OCF 23b83a359e8c77c1ff60bdac1439e1a3 [0,1,0,0,1,0|1,0,1]=4 1445 B9R1.33 C[C@H]1CCC[C@H]1OCF 59a7f5726623d931b860afe2ddbbde2f [0,1,0,0,1,0|1,0,1]=4 1446 B9R1.33 FCO[C@@H]1CCC[C@H]1F 813555c6d841e20a730e4a6773476ea6 [0,1,0,0,1,0|1,0,1]=4 1447 B9R1.33 O=CCN1CCCC1O 01cd7a46a4aeeeea309967ac9e52751a [0,1,0,0,1,0|2,0,0]=4 1448 B9R1.33 O=CNC1COCC1O 8a660c587cad8c269ab00fb0df7cd154 [0,1,0,0,1,0|2,0,0]=4 1449 B9R1.33 O=CN[C@@H]1COC[C@@H]1O f898993a9f81f150abef41790ac487ca [0,1,0,0,1,0|2,0,0]=4 1450 B9R1.33 O=CN[C@@H]1COC[C@H]1O 187db9f1fc45bae154da94c5f849a158 [0,1,0,0,1,0|2,0,0]=4 1451 B9R1.33 O=CN[C@H]1COC[C@@H]1O 0425afcebb9b96f41287e87d190f87e0 [0,1,0,0,1,0|2,0,0]=4 1452 B9R1.33 O=CN[C@H]1COC[C@H]1F 2dc9a367173d6cca836677b4188f937d [0,1,0,0,1,0|2,0,0]=4 1453 B9R1.33 O=CN[C@H]1COC[C@H]1O 3325eb2ca0b5aa721b924b5069f801c5 [0,1,0,0,1,0|2,0,0]=4 1454 B9R1.134 CC1(CCCC1)NC=O 9f346bb798ddf4840d6f5ddf15261dc2 [0,1,0,0,1,0|1,0,0]=3 1455 B9R1.134 CC1(CCOC1)NC=O ad65daccf261b60746a7096eb8cd15d3 [0,1,0,0,1,0|2,0,0]=4 1456 B11R1.5 CC1CCCCCN1CC=O 9c42281793eac0f9ff4e09cff95b5799 [0,1,0,0,0,1|2,0,0]=4 1457 B11R1.5 CC1CCOCCN1CC=O eb6d9a133a77613d7cb3a1afb4104676 [0,1,0,0,0,1|2,0,0]=4 1458 B11R1.5 CC1CCSCCN1CC=O 8e4b8682c33102c9f6b7770d2242a28f [0,1,0,0,0,1|2,0,0]=4 1459 B11R1.5 CC1COCCCN1CC=O 63b1e8fbfc246805ea050f12187de6ea [0,1,0,0,0,1|2,0,0]=4 1460 B11R1.5 CCOC1CCCCCC1=O 6f512a9e711095b873eeb84a2a48b1a3 [0,1,0,0,0,1|1,0,1]=4 1461 B11R1.5 O=C1CCCCCC1OCF 1d4dd4103e923ca865993bfbc40b6a96 [0,1,0,0,0,1|1,0,1]=4 1462 B11R1.5 O=CNC1CCCCNC1=O c98b2e9ccd89d7d68384775f02247b47 [0,1,0,0,0,1|1,0,1]=4 1463 B11R1.5 O=CN[C@@H]1CCCCC[C@@H]1O d3325b3c25e63a999df9307534d541f3 [0,1,0,0,0,1|1,0,0]=3 1464 B11R1.5 O=CN[C@@H]1CCCCC[C@H]1O bb0838c3eaaaf658bdb3698df6bc84a4 [0,1,0,0,0,1|1,0,0]=3 1465 B11R1.5 O=CN[C@@H]1CCCCNC1=O 815160869e8acbfa55d5fda13c34e2e7 [0,1,0,0,0,1|1,0,1]=4 1466 B11R1.5 O=CN[C@H]1CCCCC[C@@H]1O 8bcc6d7bd9d3b8b0fb58de5506b252e9 [0,1,0,0,0,1|1,0,0]=3 1467 B11R1.5 O=CN[C@H]1CCCCNC1=O 251309dfd679bd353b3fc26d7c34eab1 [0,1,0,0,0,1|1,0,1]=4 1468 B11R1.110 CC1CN(CCCO1)CC=O bc0f21e2be69804bc5806e5d41532031 [0,1,0,0,0,1|2,0,0]=4 1469 B11R1.110 CN1CCOCC(C1)NC=O 1de93b59b1665f98764868681edab4f0 [0,1,0,0,0,1|2,0,0]=4 1470 B11R1.110 CN1CCOC[C@@H](C1)NC=O d979d410d29f269f1d667ae986917dc6 [0,1,0,0,0,1|2,0,0]=4 1471 B11R1.110 CN1CCOC[C@H](C1)NC=O 14dc3d3c3786a5fc4cff5d4c8f7a0f16 [0,1,0,0,0,1|2,0,0]=4 1472 B11R1.110 O=CCN1CCCCC(C1)O 9360f8b91aee36cb59bb59f2079dcd54 [0,1,0,0,0,1|2,0,0]=4 1473 B11R1.110 O=CCN1CCCC[C@H](C1)O 8ace5ce89956147304ed2db10d2ebfc6 [0,1,0,0,0,1|2,0,0]=4 1474 B11R1.110 O=CCN1CCOCC(C1)F 33285ab5dfc1087bb38ba246847288e1 [0,1,0,0,0,1|2,0,0]=4 1475 B11R1.110 O=CCN1CCOCC(C1)O ac42247a676c562e393d5c8988c9f93a [0,1,0,0,0,1|2,0,0]=4 1476 B11R1.110 O=CCN1CCOC[C@@H](C1)F ca9df59105b2a4afbea4512f2266b316 [0,1,0,0,0,1|2,0,0]=4 1477 B11R1.110 O=CCN1CCOC[C@@H](C1)O 08d882d2ead6799bf49b67e1ce2c2337 [0,1,0,0,0,1|2,0,0]=4 1478 B11R1.110 O=CCN1CCOC[C@H](C1)F 500d4f3a9843612b3e7a3984fdcab9d7 [0,1,0,0,0,1|2,0,0]=4 1479 B11R1.110 O=CCN1CCOC[C@H](C1)O e66c36287fb085fdfcf36c6f18dfd1ed [0,1,0,0,0,1|2,0,0]=4 1480 B11R1.135 CC1CCCN(CC1)CC=O ebce8a13090c033b9df5a070e4187478 [0,1,0,0,0,1|2,0,0]=4 1481 B11R1.135 CCOC1CCCN(CC1)C ac95087d926748d1aff63190292c8b15 [0,1,0,0,0,1|1,0,1]=4 1482 B11R1.135 CCO[C@@H]1CCCN(CC1)C 30a69bb501e36beecb61605cf15f997c [0,1,0,0,0,1|1,0,1]=4 1483 B11R1.135 CCO[C@H]1CCCN(CC1)C 2406ec2aec6a1585f056eb822d3b017d [0,1,0,0,0,1|1,0,1]=4 1484 B11R1.135 CN1CCCC(CC1)NC=O 214f66884c4b417d9efdce8f5a7742cd [0,1,0,0,0,1|1,0,0]=3 1485 B11R1.135 CN1CCCC(CC1)OCF 90d792e1a8b338493b8056bb03bae557 [0,1,0,0,0,1|1,0,1]=4 1486 B11R1.135 CN1CCCN(CC1)CC=O 33e391cd28ee1857e7a3831a22410f42 [0,1,0,0,0,1|2,0,0]=4 1487 B11R1.135 CN1CCC[C@@H](CC1)OCF 368384b3355a64173e936e8861150957 [0,1,0,0,0,1|1,0,1]=4 1488 B11R1.135 CN1CCC[C@H](CC1)OCF 77aedbf8bcd0b62547460c797d6e7032 [0,1,0,0,0,1|1,0,1]=4 1489 B11R1.135 O=CCN1CCCC(=O)CC1 b88f1537876174ee7b1be316ca12b0a5 [0,1,0,0,0,1|2,0,0]=4 1490 B11R1.135 O=CCN1CCCC(CC1)F fb2e283cfaa6163b9f9c5ac0034805bd [0,1,0,0,0,1|2,0,0]=4 1491 B11R1.135 O=CCN1CCCC(CC1)O 31ccacb7e0c42634bd1710f6e935ebb8 [0,1,0,0,0,1|2,0,0]=4 1492 B11R1.135 O=CCN1CCC[C@@H](CC1)O d98f2882749bc79dd566e6c6038c22b9 [0,1,0,0,0,1|2,0,0]=4 1493 B11R1.135 O=CCN1CCC[C@H](CC1)O f3d14be1772a2a93d79d41a0c1073718 [0,1,0,0,0,1|2,0,0]=4 1494 B11R1.203 C#CCOC1CCCCCC1 4efed4173334472998a496f83c88b14b [0,1,0,0,0,1|1,0,1]=4 1495 B11R1.203 C#CCOC1CCCOCC1 ab550971303cc4117d42c7d05f0af1a7 [0,1,0,0,0,1|1,0,1]=4 1496 B11R1.203 C=CCNC1CCCCCC1 835b77ea2f05d1db508b48e058218dd9 [0,1,0,0,0,1|2,0,0]=4 1497 B11R1.203 C=CCNC1CCCOCC1 1be08262a435c741d84bac4f9254ef20 [0,1,0,0,0,1|2,0,0]=4 1498 B11R1.203 C=CCOC1CCCCCC1 ca0d4f6ae71f9bd82e371d166ad276fd [0,1,0,0,0,1|1,0,0]=3 1499 B11R1.203 C=CCOC1CCCOCC1 9a61617b39c478d5d16ad9dcc6077816 [0,1,0,0,0,1|1,0,0]=3 1500 B11R1.203 C=CCOC1COCCOC1 f1075a814478d7d34331499bd1032f78 [0,1,0,0,0,1|2,0,0]=4 1501 B11R1.203 CCCOC1CCCCCC1 a0d3b974b653d57eb78c12eb297baa1e [0,1,0,0,0,1|1,0,1]=4 1502 B11R1.203 CCCOC1CCCOCC1 e6ba70a1eee68a270651209b5c88918d [0,1,0,0,0,1|1,0,1]=4 1503 B11R1.203 CCOCC1CCCCCC1 01b51887c2e87b16f92024e3ab52aa12 [0,1,0,0,0,1|1,0,1]=4 1504 B11R1.203 COCOC1CCCCCC1 c669f7add16d44cc1d0541c9bd6617f7 [0,1,0,0,0,1|0,0,2]=4 1505 B11R1.203 COCOC1CCCOCC1 6b97d0bcd0cd87e23fc9406aa043f7c9 [0,1,0,0,0,1|0,0,2]=4 1506 B11R1.203 CSCOC1CCCCCC1 90eec6a2a8287bbaa85dcf4e8ba247e3 [0,1,0,0,0,1|0,1,1]=4 1507 B11R1.203 CSCOC1CCCOCC1 4b210e54c282e5a0f79fbbd7031b9748 [0,1,0,0,0,1|0,1,1]=4 1508 B11R1.203 FCCOC1CCCCCC1 7a234923a4de254fa31b1ac546f7c56f [0,1,0,0,0,1|1,0,1]=4 1509 B11R1.203 FCCOC1CCCOCC1 26daca4980a1c3f8e55c2dfe4e11924a [0,1,0,0,0,1|1,0,1]=4 1510 B11R1.203 FCOCC1CCCCCC1 180d24b69547b24cf74154898667164f [0,1,0,0,0,1|1,0,1]=4 1511 B11R1.203 N#CCOC1CCCCCC1 bfda39c26c4faec30b442b7e564adea4 [0,1,0,0,0,1|1,0,1]=4 1512 B11R1.203 N#CCOC1CCCOCC1 28d30ba798c67fa9df85903458ee8c9f [0,1,0,0,0,1|1,0,1]=4 1513 B11R1.203 O=CCCN1CCCCCC1 17784adde57d54451972fe0abbcf77b2 [0,1,0,0,0,1|2,0,0]=4 1514 B11R1.203 O=CCCN1CCCOCC1 16d14934f47760e6972ab602b1b06649 [0,1,0,0,0,1|2,0,0]=4 1515 B11R1.203 O=CCNC1CCC=CCC1 d838ba6153db90d1bef80bd862d73bcf [0,1,0,0,0,1|1,0,1]=4 1516 B11R1.203 O=CCNC1CCCCCC1 24eb6ac1a8dc2aac972722589a5f9050 [0,1,0,0,0,1|1,0,0]=3 1517 B11R1.203 O=CCNC1CCCOCC1 03ce52f15f32e381f6e463780268eddc [0,1,0,0,0,1|1,0,0]=3 1518 B11R1.203 O=CCOC1CCCCCC1 90420dad8ba0ca85278761550a74b58d [0,1,0,0,0,1|0,0,0]=2 1519 B11R1.203 O=CCOC1CCCOCC1 8e3db2c046c240e38c6f08efcab52a47 [0,1,0,0,0,1|0,0,0]=2 1520 B11R1.203 O=CCOC1COCCOC1 af843a8f61ca6bfb178bacae39190fcd [0,1,0,0,0,1|1,0,0]=3 1521 B11R1.203 O=CNCC1CCCCCC1 d98c7cfb82f8e40dc854108c9b87d8cb [0,1,0,0,0,1|1,0,0]=3 1522 B11R1.203 SCCOC1CCCCCC1 75478865fa94ff788ac8d34e86861fcf [0,1,0,0,0,1|0,1,1]=4 1523 B11R1.203 SCCOC1CCCOCC1 14d85e84a340706dfc045b3f87cc068c [0,1,0,0,0,1|0,1,1]=4 1524 B11R1.742 CC(=O)NC1CCC=CCC1 5e70f5c316af8cefbc5fffa0e646db51 [0,1,0,0,0,1|1,0,1]=4 1525 B11R1.742 CC(=O)NC1CCCCCC1 980c21986259e09356273dbf1a23f9df [0,1,0,0,0,1|1,0,0]=3 1526 B11R1.742 CC(=O)NC1CCCOCC1 faa609e7c510cdc55c5bbc154131a5e7 [0,1,0,0,0,1|1,0,0]=3 1527 B11R1.742 CC(C)OC1CCCCCC1 49cd74212008956419b032828c1aeb5a [0,1,0,0,0,1|1,0,1]=4 1528 B11R1.742 CC(C)OC1CCCOCC1 8e934b4df966fa14609d3072f87f8236 [0,1,0,0,0,1|1,0,1]=4 1529 B11R1.742 NC(=O)CN1CCCCCC1 3c6bdaed56195046700c5f9a02a73e34 [0,1,0,0,0,1|2,0,0]=4 1530 B11R1.742 NC(=O)CN1CCCOCC1 916ad609f21f064a7486c06fea619804 [0,1,0,0,0,1|2,0,0]=4 1531 B11R1.742 O=C(O)CN1CCCCCC1 d9f9edaddb25360088e69733dfba1666 [0,1,0,0,0,1|2,0,0]=4 1532 B11R1.742 O=C(O)CN1CCCOCC1 621646c1635481e8abe6c4a7848bde48 [0,1,0,0,0,1|2,0,0]=4 1533 B11R1.779 CC1(CCCCCC1)NC=O 088ad1793f04ee1af40695a37216d5f7 [0,1,0,0,0,1|1,0,0]=3 1534 B11R1.852 CC(C=O)N1CCCCCC1 6a41cd07a6de1affb08a5c24d4098a82 [0,1,0,0,0,1|2,0,0]=4 1535 B11R1.852 CC(C=O)N1CCCOCC1 8cbc278e6ffab750d40f828fe5e9e17a [0,1,0,0,0,1|2,0,0]=4 1536 B11R1.852 C[C@H](C=O)N1CCCCCC1 ab5737e77eafb94585a750688b4876ae [0,1,0,0,0,1|2,0,0]=4 1537 B11R1.852 C[C@H](C=O)N1CCCOCC1 83e86143632a36f6cabfd69fd7595a4e [0,1,0,0,0,1|2,0,0]=4 1538 B11R1.852 O=CC(=O)N1CCCCCC1 7431d7858aca3be4e39cb356c3397529 [0,1,0,0,0,1|2,0,0]=4 1539 B11R1.852 O=CC(=O)N1CCCOCC1 abbe14e14f3d94fac7a30f4f09f44cd4 [0,1,0,0,0,1|2,0,0]=4 1540 B11R1.1 C#CCOC1CCC(CC1)C 01bb9a460464dd43989414b7132b65e3 [0,2,0,0,0,0|1,0,1]=4 1541 B11R1.1 C#CCOC1CCC(CC1)F 3cbb808f8daa96f55efd0326cec7efa0 [0,2,0,0,0,0|1,0,1]=4 1542 B11R1.1 C#CCO[C@H]1CC[C@@H](CC1)C 4ab1296a22f19a5bd3a739d9dcf95729 [0,2,0,0,0,0|1,0,1]=4 1543 B11R1.1 C#CCO[C@H]1CC[C@H](CC1)C 5f08a3bd80296cb477d30dadf5c24657 [0,2,0,0,0,0|1,0,1]=4 1544 B11R1.1 C=CCNC1CCC(CC1)C 5ccc9cd77b86908b19eb61208954f840 [0,2,0,0,0,0|2,0,0]=4 1545 B11R1.1 C=CCNC1CCC(CC1)Cl 4ca8473443ae46441f0951e1d9efc8d5 [0,2,0,0,0,0|2,0,0]=4 1546 B11R1.1 C=CCNC1CCC(CC1)O 22b4797cf4a46cf4bf515761bbf63b10 [0,2,0,0,0,0|2,0,0]=4 1547 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)C bdedd3ed61b7a922a0f4239d04dc5509 [0,2,0,0,0,0|2,0,0]=4 1548 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)Cl 0174e33026c654c795c2f695fb3fe4da [0,2,0,0,0,0|2,0,0]=4 1549 B11R1.1 C=CCN[C@H]1CC[C@@H](CC1)O 6e8b39882c208f64ca82ee6f7fdc378c [0,2,0,0,0,0|2,0,0]=4 1550 B11R1.1 C=CCN[C@H]1CC[C@H](CC1)C 32f2e547e259777a312e2813fc5f9615 [0,2,0,0,0,0|2,0,0]=4 1551 B11R1.1 C=CCN[C@H]1CC[C@H](CC1)Cl 07bfee1058f3c8d209a3d2d976223a77 [0,2,0,0,0,0|2,0,0]=4 1552 B11R1.1 C=CCN[C@H]1CC[C@H](CC1)O 18339fd99f2480c7aa567d7912c85bad [0,2,0,0,0,0|2,0,0]=4 1553 B11R1.1 C=CCOC1CCC(=O)CC1 e1d18ba6081760cd96dc30f677edbdf2 [0,2,0,0,0,0|1,0,1]=4 1554 B11R1.1 C=CCOC1CCC(CC1)C e10acc49d9ce8691b91f3b245d9299a3 [0,2,0,0,0,0|1,0,0]=3 1555 B11R1.1 C=CCOC1CCC(CC1)F cbdf0fc8b5f11511043ede4bf69b6d1b [0,2,0,0,0,0|1,0,0]=3 1556 B11R1.1 C=CCOC1CCN(CC1)C c0475d88e87fd1721dd18cce40d2993e [0,2,0,0,0,0|2,0,0]=4 1557 B11R1.1 C=CCO[C@H]1CC[C@@H](CC1)C 1d94e25dfadb8b36500a011d724360e6 [0,2,0,0,0,0|1,0,0]=3 1558 B11R1.1 C=CCO[C@H]1CC[C@H](CC1)C 30dd112a7b9d5760f17a63dc741ed0fa [0,2,0,0,0,0|1,0,0]=3 1559 B11R1.1 CC1CCC(CC1)CNC=O 503909cbd8c013b6a46a0f6c42bea9ee [0,2,0,0,0,0|1,0,0]=3 1560 B11R1.1 CC1CCC(CC1)COCF af51a2e75cf06678cf86a00ac53db214 [0,2,0,0,0,0|1,0,1]=4 1561 B11R1.1 CC1CCC(CC1)NCC=O 563781267b1c5876db8c186cc1166349 [0,2,0,0,0,0|1,0,0]=3 1562 B11R1.1 CC1CCC(CC1)OCC#N 9f2756e3cfc9779b57ead8c476c7a31b [0,2,0,0,0,0|1,0,1]=4 1563 B11R1.1 CC1CCC(CC1)OCC=O e44873f4c1043ecb3c6f132001b29734 [0,2,0,0,0,0|0,0,0]=2 1564 B11R1.1 CC1CCC(CC1)OCCF ce456cdbd327590758e4e44044d5c53c [0,2,0,0,0,0|1,0,1]=4 1565 B11R1.1 CC1CCC(CC1)OCCS 9efb3f6957e3abcb443685317ffa0329 [0,2,0,0,0,0|0,1,1]=4 1566 B11R1.1 CC1CCN(CC1)CCC=O 74178a1ee1490f0ff0130d95dfdd79c3 [0,2,0,0,0,0|2,0,0]=4 1567 B11R1.1 CCCOC1CCC(CC1)C 7a9689dd98aa4f92d8f5043f1b15a983 [0,2,0,0,0,0|1,0,1]=4 1568 B11R1.1 CCCOC1CCC(CC1)F 5492765cb272ae15f43940e3f2e983f3 [0,2,0,0,0,0|1,0,1]=4 1569 B11R1.1 CCCO[C@H]1CC[C@@H](CC1)C 63f78b25b14708866f991f61dafeaa8d [0,2,0,0,0,0|1,0,1]=4 1570 B11R1.1 CCCO[C@H]1CC[C@H](CC1)C effb30eda82162f702b9f3fc5c106b18 [0,2,0,0,0,0|1,0,1]=4 1571 B11R1.1 CCOCC1CCC(CC1)C c51abc060b6548b39618627130923e28 [0,2,0,0,0,0|1,0,1]=4 1572 B11R1.1 CCOC[C@H]1CC[C@@H](CC1)C 447d65990e933e27973675b6f4d63d93 [0,2,0,0,0,0|1,0,1]=4 1573 B11R1.1 CCOC[C@H]1CC[C@H](CC1)C dca432ad3524dc848cfaf2383ff946e5 [0,2,0,0,0,0|1,0,1]=4 1574 B11R1.1 CN1CCC(CC1)CNC=O d58822b8b4567d61ba6a3c86fb1587ad [0,2,0,0,0,0|2,0,0]=4 1575 B11R1.1 CN1CCC(CC1)NCC=O 68bcd86875bcd6589d1c68c2fec77b73 [0,2,0,0,0,0|2,0,0]=4 1576 B11R1.1 CN1CCC(CC1)OCC=O 3ec0c0f5feaf51ae955f7da46b4e5866 [0,2,0,0,0,0|1,0,0]=3 1577 B11R1.1 COCOC1CCC(CC1)C b533e79cb752dbf004705603517f68e3 [0,2,0,0,0,0|0,0,2]=4 1578 B11R1.1 COCOC1CCC(CC1)F 40042d71ede654fe0b57fb5f311b6c78 [0,2,0,0,0,0|0,0,2]=4 1579 B11R1.1 COCO[C@H]1CC[C@@H](CC1)C 46f04969d505a344d47828591d5afbba [0,2,0,0,0,0|0,0,2]=4 1580 B11R1.1 COCO[C@H]1CC[C@H](CC1)C ead0cf63d354fae1455120fb75d88bd2 [0,2,0,0,0,0|0,0,2]=4 1581 B11R1.1 CSCOC1CCC(CC1)C 2ed1809682919ae968d68dcdfab70946 [0,2,0,0,0,0|0,1,1]=4 1582 B11R1.1 CSCOC1CCC(CC1)F 6910e82d33b718c312bcc96456df4bd6 [0,2,0,0,0,0|0,1,1]=4 1583 B11R1.1 CSCO[C@H]1CC[C@@H](CC1)C 378fff2f5110dd0e2b9a433891936a76 [0,2,0,0,0,0|0,1,1]=4 1584 B11R1.1 CSCO[C@H]1CC[C@H](CC1)C b0830592b39456e901a9c670ac0ecd46 [0,2,0,0,0,0|0,1,1]=4 1585 B11R1.1 C[C@H]1CC[C@@H](CC1)COCF 1156b04e4643bcc353f9b60940a0a0a8 [0,2,0,0,0,0|1,0,1]=4 1586 B11R1.1 C[C@H]1CC[C@@H](CC1)NCC=O 695b49a444409c7d2538a45b3dd58134 [0,2,0,0,0,0|1,0,0]=3 1587 B11R1.1 C[C@H]1CC[C@@H](CC1)OCC#N 4e7ebf9ac3f95ab6b8d3c5df5bb533cb [0,2,0,0,0,0|1,0,1]=4 1588 B11R1.1 C[C@H]1CC[C@@H](CC1)OCC=O da57f1f46be41e0505bd071f94010653 [0,2,0,0,0,0|0,0,0]=2 1589 B11R1.1 C[C@H]1CC[C@@H](CC1)OCCF 4c346f75017703b58e8a34fba1ea021d [0,2,0,0,0,0|1,0,1]=4 1590 B11R1.1 C[C@H]1CC[C@@H](CC1)OCCS c380f3a1b0a22c05ca2cf57fc6ed20af [0,2,0,0,0,0|0,1,1]=4 1591 B11R1.1 C[C@H]1CC[C@H](CC1)COCF 17c17b2e444aa81eff9a33b7bedf3390 [0,2,0,0,0,0|1,0,1]=4 1592 B11R1.1 C[C@H]1CC[C@H](CC1)NCC=O a22b3d8233fa52031c106d19282beb22 [0,2,0,0,0,0|1,0,0]=3 1593 B11R1.1 C[C@H]1CC[C@H](CC1)OCC#N 9d42d5eb18e98535a8929bdfbadaec3e [0,2,0,0,0,0|1,0,1]=4 1594 B11R1.1 C[C@H]1CC[C@H](CC1)OCC=O 75c958c0a563ac84ed12efbb91fb7007 [0,2,0,0,0,0|0,0,0]=2 1595 B11R1.1 C[C@H]1CC[C@H](CC1)OCCF 8ec150b84a2ea614892a7f20ea825f28 [0,2,0,0,0,0|1,0,1]=4 1596 B11R1.1 C[C@H]1CC[C@H](CC1)OCCS ad1e68d829a3ee2a7146e5047919419f [0,2,0,0,0,0|0,1,1]=4 1597 B11R1.1 FC1CCC(CC1)OCCS 57f6260afed6fab3f9c4af1800b7ec5b [0,2,0,0,0,0|0,1,1]=4 1598 B11R1.1 FCCOC1CCC(CC1)F 2f9e3d58f23dc5277988daefa2d314da [0,2,0,0,0,0|1,0,1]=4 1599 B11R1.1 N#CCOC1CCC(CC1)F b7d1e6ced8db629496eb630551b35db8 [0,2,0,0,0,0|1,0,1]=4 1600 B11R1.1 O=CCCN1CCC(CC1)Cl 726831b4483e548d01180b3044e5bf0e [0,2,0,0,0,0|2,0,0]=4 1601 B11R1.1 O=CCCN1CCC(CC1)F b2a11cb371e3ffb7fe45fada7c46f28a [0,2,0,0,0,0|2,0,0]=4 1602 B11R1.1 O=CCCN1CCC(CC1)I a4970402566e9e3fe5a7cfb26fb7378c [0,2,0,0,0,0|2,0,0]=4 1603 B11R1.1 O=CCCN1CCC(CC1)O 9203fb3fb04969798a37449bea16c30e [0,2,0,0,0,0|2,0,0]=4 1604 B11R1.1 O=CCNC1CCC(CC1)Cl aea6b7bbc5e364e2758efc331efc4172 [0,2,0,0,0,0|1,0,0]=3 1605 B11R1.1 O=CCNC1CCC(CC1)O 52451bb2db840ca9893a28591d28b0d9 [0,2,0,0,0,0|1,0,0]=3 1606 B11R1.1 O=CCN[C@H]1CC[C@@H](CC1)Cl 0ffe4c61b919a6a0ef3ebc2487cea13d [0,2,0,0,0,0|1,0,0]=3 1607 B11R1.1 O=CCN[C@H]1CC[C@@H](CC1)O 7fa00c144a66949160d6b0dafe345087 [0,2,0,0,0,0|1,0,0]=3 1608 B11R1.1 O=CCN[C@H]1CC[C@H](CC1)Cl 1be5375c996de6cbce5a657c29fd26a9 [0,2,0,0,0,0|1,0,0]=3 1609 B11R1.1 O=CCN[C@H]1CC[C@H](CC1)O 5650465dd6dcd1a4733fcbe2fa5d2541 [0,2,0,0,0,0|1,0,0]=3 1610 B11R1.1 O=CCOC1CC=C(CC1)Br f1e5abb794855c18d05f2362cbe6a50d [0,2,0,0,0,0|0,0,2]=4 1611 B11R1.1 O=CCOC1CCC(=O)CC1 5ba1739ce2aa5e2f1e9dd16e6746cf64 [0,2,0,0,0,0|0,0,1]=3 1612 B11R1.1 O=CCOC1CCC(=O)NC1 6b8461d580bde98c45a7f9d64b9fab79 [0,2,0,0,0,0|1,0,1]=4 1613 B11R1.1 O=CCOC1CCC(=O)OC1 9f2163389721640fc416d26b80ed80b1 [0,2,0,0,0,0|1,0,1]=4 1614 B11R1.1 O=CCOC1CCC(CC1)F 8a290cc2d3861b6f090d98ff22636375 [0,2,0,0,0,0|0,0,0]=2 1615 B11R1.1 O=CCO[C@@H]1CCC(=O)NC1 3581528fe167f8d6b737878e143e203d [0,2,0,0,0,0|1,0,1]=4 1616 B11R1.1 O=CCO[C@H]1CCC(=O)NC1 8b47b94ed4a8565282eb10f063f0978a [0,2,0,0,0,0|1,0,1]=4 1617 B11R1.1 O=CNCC1CCC(CC1)Cl 57bd5bf5f90e6edd7c947402853a288f [0,2,0,0,0,0|1,0,0]=3 1618 B11R1.1 O=CNCC1CCC(CC1)O 9263642340770910b55fcf12f680e979 [0,2,0,0,0,0|1,0,0]=3 1619 B11R1.1 O=CNC[C@H]1CC[C@@H](CC1)F 1dfd1a094dea6c756949fe033879c98b [0,2,0,0,0,0|1,0,0]=3 1620 B11R1.1 O=CNC[C@H]1CC[C@@H](CC1)O 8cbda474beefcee12cd39711c505a15f [0,2,0,0,0,0|1,0,0]=3 1621 B11R1.1 O=CNC[C@H]1CC[C@H](CC1)F 6bd7f287e6553b4f72dca8fb991714f0 [0,2,0,0,0,0|1,0,0]=3 1622 B11R1.20 CC(=O)NC1CCC(CC1)C d5b9c289f55164a8ef9fd28f678cff26 [0,2,0,0,0,0|1,0,0]=3 1623 B11R1.20 CC(=O)NC1CCC(CC1)Cl 76e885a44d6ff7276ddb2cec71b9bb91 [0,2,0,0,0,0|1,0,0]=3 1624 B11R1.20 CC(=O)NC1CCC(CC1)O 32ccc720dacb2d1a60bef0ac05af6e03 [0,2,0,0,0,0|1,0,0]=3 1625 B11R1.20 CC(=O)NC1CCN(CC1)C 365f1d8bab7411b36bf113908c710eba [0,2,0,0,0,0|2,0,0]=4 1626 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C 59946d0e4761e996c325795030cfdc0f [0,2,0,0,0,0|1,0,0]=3 1627 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)Cl d9ee28abd65cc9504067bebafb158071 [0,2,0,0,0,0|1,0,0]=3 1628 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)O de0f4c835ebb4ab00269ab1d23370b55 [0,2,0,0,0,0|1,0,0]=3 1629 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)C d5b4032d8a2c96d43aa13ec6b6d114f1 [0,2,0,0,0,0|1,0,0]=3 1630 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)Cl 38f4de32edba01e8633a04da61695570 [0,2,0,0,0,0|1,0,0]=3 1631 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)O c1dc106a33ee46042df9bb05d205ab58 [0,2,0,0,0,0|1,0,0]=3 1632 B11R1.20 CC(C)OC1CCC(CC1)F f8ac96671e1d8cebb8d0d381455bb00f [0,2,0,0,0,0|1,0,1]=4 1633 B11R1.20 CC(C)O[C@H]1CC[C@@H](CC1)C 946b7f948ca67338ace34d326f9240a7 [0,2,0,0,0,0|1,0,1]=4 1634 B11R1.20 CC(C)O[C@H]1CC[C@H](CC1)C d27dc5a2956277c5f4d7b56b3150ccb9 [0,2,0,0,0,0|1,0,1]=4 1635 B11R1.20 CC1CCC(CC1)OC(C)C ac4eff980fe42f1bc06c0529e2b5a636 [0,2,0,0,0,0|1,0,1]=4 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CC(C=O)N1CCC(CC1)F 6b35501ca81c15bbe096af108a0b2420 [0,2,0,0,0,0|2,0,0]=4 1648 B11R1.22 CC(C=O)N1CCC(CC1)I 44da54046ce8745d369d2ec2704ca7be [0,2,0,0,0,0|2,0,0]=4 1649 B11R1.22 CC(C=O)N1CCC(CC1)O 89198967e9769a6e3f2c7c29f86d511a [0,2,0,0,0,0|2,0,0]=4 1650 B11R1.22 CC1CCC(CC1)N(C)C=O d9c207cb2d222888c85cc78ba33477cd [0,2,0,0,0,0|1,0,0]=3 1651 B11R1.22 CC1CCN(CC1)C(=O)C=O f9871bca41412a78c66e6352ee165e64 [0,2,0,0,0,0|2,0,0]=4 1652 B11R1.22 CC1CCN(CC1)C(C)C=O 388b625bfb3c8913f51b920a17e13af3 [0,2,0,0,0,0|2,0,0]=4 1653 B11R1.22 CC1CCN(CC1)[C@H](C)C=O f4a207dc455af6f0abebdc393be97736 [0,2,0,0,0,0|2,0,0]=4 1654 B11R1.22 CN(C=O)C1CCC(CC1)O b091e142e145a4715dfc88542ecfb983 [0,2,0,0,0,0|1,0,0]=3 1655 B11R1.22 CN(C=O)[C@H]1CC[C@@H](CC1)C ffa741d4e11710edc04dba3db77b5f54 [0,2,0,0,0,0|1,0,0]=3 1656 B11R1.22 CN(C=O)[C@H]1CC[C@@H](CC1)O 0f51908af19db360dd6deee9338f9c8f [0,2,0,0,0,0|1,0,0]=3 1657 B11R1.22 CN(C=O)[C@H]1CC[C@H](CC1)O 2b1e8a67ecd4adf61b3e5a8180a4f9c2 [0,2,0,0,0,0|1,0,0]=3 1658 B11R1.22 C[C@H](C=O)N1CCC(CC1)Cl c17dd00aee89a4a4b715e55a7d039d13 [0,2,0,0,0,0|2,0,0]=4 1659 B11R1.22 C[C@H](C=O)N1CCC(CC1)F 803e20ba60ff16e0a7448f78385fd897 [0,2,0,0,0,0|2,0,0]=4 1660 B11R1.22 C[C@H](C=O)N1CCC(CC1)I 2cf1468875690c0217c1558e4413f650 [0,2,0,0,0,0|2,0,0]=4 1661 B11R1.22 C[C@H](C=O)N1CCC(CC1)O 00dc57064c987a802becefee43e3f43c [0,2,0,0,0,0|2,0,0]=4 1662 B11R1.22 O=CC(=O)N1CCC(CC1)Cl 923133ba8edb877410310e2b3e78fe06 [0,2,0,0,0,0|2,0,0]=4 1663 B11R1.22 O=CC(=O)N1CCC(CC1)F 4248e391794d619de19275ccb16d5780 [0,2,0,0,0,0|2,0,0]=4 1664 B11R1.22 O=CC(=O)N1CCC(CC1)I d4f536cce4d3da195c70b13719d5804a [0,2,0,0,0,0|2,0,0]=4 1665 B11R1.22 O=CC(=O)N1CCC(CC1)O 7703308564cfdd271b7ff5b649bd5171 [0,2,0,0,0,0|2,0,0]=4 1666 B11R1.81 CC1CC(CCN1CC=O)O 2062774d57aa5d1807a4064ded8e874d [0,2,0,0,0,0|2,0,0]=4 1667 B11R1.81 CC1CCC(C(C1)C)OCF b5d1eaf27e4ebd5eefc0964a27cdd04f [0,2,0,0,0,0|1,0,1]=4 1668 B11R1.81 CC1CCN(C(C1)C)CC=O e5fef56ae870894cd540f192363486a4 [0,2,0,0,0,0|2,0,0]=4 1669 B11R1.81 CCOC1CCC(CC1C)C 5246aeca18c911a03ccd65c74b371681 [0,2,0,0,0,0|1,0,1]=4 1670 B11R1.81 CN1CC[C@H]([C@@H](C1)F)NC=O 4d2b49494e788e6fe22eb0dc301965ab [0,2,0,0,0,0|2,0,0]=4 1671 B11R1.81 CN1CC[C@H]([C@H](C1)F)NC=O 9dbd5f9f904e98728a53da363ca1c417 [0,2,0,0,0,0|2,0,0]=4 1672 B11R1.81 C[C@@H]1CCN([C@@H](C1)C)CC=O 74e68e224b1d83e07fdfe60ad5aef97f [0,2,0,0,0,0|2,0,0]=4 1673 B11R1.81 C[C@@H]1CN(CC[C@H]1NC=O)C 0a5b685af50fee89f649fb7525b76c74 [0,2,0,0,0,0|2,0,0]=4 1674 B11R1.81 C[C@@H]1C[C@@H](CCN1CC=O)O 39127eab0974fd7e52607e36035119ea [0,2,0,0,0,0|2,0,0]=4 1675 B11R1.81 C[C@@H]1C[C@H](CCN1CC=O)O f18312f76be4ec47dd1a96e9e680161e [0,2,0,0,0,0|2,0,0]=4 1676 B11R1.81 C[C@H]1CCN([C@H](C1)C)CC=O 0a0a0b72c1014612b541bb7f6998d463 [0,2,0,0,0,0|2,0,0]=4 1677 B11R1.81 C[C@H]1CN(CC[C@H]1NC=O)C d20f428327292b05bec039be423329a1 [0,2,0,0,0,0|2,0,0]=4 1678 B11R1.82 CC1(CCC(CC1)NC=O)C 0dfdb9530d26622dd09e8bc3c927ba9d [0,2,0,0,0,0|1,0,0]=3 1679 B11R1.82 CC1(CCC(CC1)NC=O)O a6de811cb61b1381d0ff4359d8b17461 [0,2,0,0,0,0|1,0,0]=3 1680 B11R1.82 CC1(CCC(CC1)OCF)C 783a96ed22d0fd1f4c24d317e362545e [0,2,0,0,0,0|1,0,1]=4 1681 B11R1.82 CC1(CCC(CO1)NC=O)C 3fbf83ef08a46f9f14617b26045c52ea [0,2,0,0,0,0|2,0,0]=4 1682 B11R1.82 CC1(CCN(CC1)CC=O)C 5b4b99744366486dc4f0c5499c635ac4 [0,2,0,0,0,0|2,0,0]=4 1683 B11R1.82 CC1(CCN(CC1)CC=O)O 0e9e75b6e496b3702e2f55c26988dea8 [0,2,0,0,0,0|2,0,0]=4 1684 B11R1.82 CCOC1CCC(CC1)(C)C 1b6ccac4b12dfa4f4ce2f585b5732bac [0,2,0,0,0,0|1,0,1]=4 1685 B11R1.82 CCOC1CCC(CC1)(F)F 17a61f6b3d06014e84a11c2b7cc024c8 [0,2,0,0,0,0|1,0,1]=4 1686 B11R1.82 C[C@@]1(CC[C@@H](CC1)NC=O)O 9e116c89ac45c4ee0ee1ba6b14ee3b01 [0,2,0,0,0,0|1,0,0]=3 1687 B11R1.82 C[C@@]1(CC[C@H](CC1)NC=O)O 45d61310f663646eeec112a8fe6f1e83 [0,2,0,0,0,0|1,0,0]=3 1688 B11R1.82 FCOC1CCC(CC1)(F)F 682395646e7d2ac8eb3067b68881de40 [0,2,0,0,0,0|1,0,1]=4 1689 B11R1.82 O=CCN1CCC(CC1)(F)F 8a56d6b6b12ae79e209c73830f722d2f [0,2,0,0,0,0|2,0,0]=4 1690 B11R1.82 O=CNC1CCC(CC1)(F)F dd1ba221f5dfd4beb3603217f3467695 [0,2,0,0,0,0|1,0,0]=3 1691 B11R1.82 O=CNC1CCS(=O)(=O)CC1 2506a5abac9c0e30786034eb6818a60f [0,2,0,0,0,0|2,0,0]=4 1692 B11R1.83 C#CC1CCC(CC1)NC=O b2a2b072b3cc5ae2301435b2fa24c397 [0,2,0,0,0,0|1,0,0]=3 1693 B11R1.83 C#C[C@H]1CC[C@@H](CC1)OCC c3a8d5c938d2c3c06ab460fb06f5a25b [0,2,0,0,0,0|1,0,1]=4 1694 B11R1.83 C#C[C@H]1CC[C@@H](CC1)OCF 91e64e3bfb3bee8fcf70767e1c8f7e2d [0,2,0,0,0,0|1,0,1]=4 1695 B11R1.83 CCC1CCC(CC1)NC=O bef17f52eefd0fd2d7b23840d2fa7eae [0,2,0,0,0,0|1,0,0]=3 1696 B11R1.83 CCC1CCC(CC1)OCF a6d18ba1211d04ecf3491844a41cb5c1 [0,2,0,0,0,0|1,0,1]=4 1697 B11R1.83 CCC1CCN(CC1)CC=O a16bb01f6242cfd969bd0c7c67262f60 [0,2,0,0,0,0|2,0,0]=4 1698 B11R1.83 CCN1CCC(CC1)NC=O b215703abfe8d47e34bc938fcce7bf6b [0,2,0,0,0,0|2,0,0]=4 1699 B11R1.83 CCOC1CCC(CC1)C#N 5205eebcfa815785963f3561e7f23685 [0,2,0,0,0,0|1,0,1]=4 1700 B11R1.83 CCOC1CCC(CC1)C=O 128bd101c56d5d7ac071030c8b8b7f58 [0,2,0,0,0,0|1,0,1]=4 1701 B11R1.83 CCOC1CCC(CC1)CC 02797840577dca733a061ea69f341836 [0,2,0,0,0,0|1,0,1]=4 1702 B11R1.83 CCOC1CCC(CC1)OC c0425e8c2adb7ee2e2432fab83363c98 [0,2,0,0,0,0|1,0,1]=4 1703 B11R1.83 CCO[C@H]1CC[C@@H](CC1)C#N c24fc84f9e07e050805e60b190a2673f [0,2,0,0,0,0|1,0,1]=4 1704 B11R1.83 CCO[C@H]1CC[C@@H](CC1)C=O f96fb5ffebd4410affc315505d0bceb9 [0,2,0,0,0,0|1,0,1]=4 1705 B11R1.83 CCO[C@H]1CC[C@@H](CC1)CC c57f8121828892c0bd063a684a07ef71 [0,2,0,0,0,0|1,0,1]=4 1706 B11R1.83 CCO[C@H]1CC[C@@H](CC1)OC d5f5223b75e830d9b8a0e527c7b36c67 [0,2,0,0,0,0|1,0,1]=4 1707 B11R1.83 CCO[C@H]1CC[C@H](CC1)C=O 8a05f9f205da63d96d70c9c8076b1599 [0,2,0,0,0,0|1,0,1]=4 1708 B11R1.83 CCO[C@H]1CC[C@H](CC1)CC fdd0354268bfd20b80436ddee0e4b628 [0,2,0,0,0,0|1,0,1]=4 1709 B11R1.83 CCO[C@H]1CC[C@H](CC1)OC 583108b04ffe64777fa99ee5183678dc [0,2,0,0,0,0|1,0,1]=4 1710 B11R1.83 CC[C@H]1CC[C@@H](CC1)OCF 195d3bee012f52f15c383d5624ab17c8 [0,2,0,0,0,0|1,0,1]=4 1711 B11R1.83 CC[C@H]1CC[C@H](CC1)OCF dbd61384f451ef6840fa92660c9f8873 [0,2,0,0,0,0|1,0,1]=4 1712 B11R1.83 COC1CCC(CC1)NC=O 1e519784d7c7b4cc2e349e002237fb8e [0,2,0,0,0,0|1,0,0]=3 1713 B11R1.83 COC1CCC(CC1)OCF daa1bafcff1f551e62e14d32ed23ffa5 [0,2,0,0,0,0|1,0,1]=4 1714 B11R1.83 COC1CCN(CC1)CC=O e245bbd97ade3df5ac2b1ff3aceae383 [0,2,0,0,0,0|2,0,0]=4 1715 B11R1.83 CON1CCC(CC1)NC=O 72923b5dbbf73eee218fa35c8398510c [0,2,0,0,0,0|2,0,0]=4 1716 B11R1.83 CO[C@H]1CC[C@@H](CC1)NC=O a44dc2799f9155ba92492a11ce465960 [0,2,0,0,0,0|1,0,0]=3 1717 B11R1.83 CO[C@H]1CC[C@@H](CC1)OCF 71ecdcd92228a13192c29ab491cc59ee [0,2,0,0,0,0|1,0,1]=4 1718 B11R1.83 CO[C@H]1CC[C@H](CC1)NC=O 44b2ce294eac12187a868776e4b50e7d [0,2,0,0,0,0|1,0,0]=3 1719 B11R1.83 CO[C@H]1CC[C@H](CC1)OCF bb6492bfc97384d0848492d452508ee7 [0,2,0,0,0,0|1,0,1]=4 1720 B11R1.83 CSC1CCN(CC1)CC=O 6f5bcd11179e589c4d334269eea6f4e0 [0,2,0,0,0,0|2,0,0]=4 1721 B11R1.83 N#CC1CCC(CC1)NC=O 6ed7ae0b62a0d65eb124b841122f77d0 [0,2,0,0,0,0|1,0,0]=3 1722 B11R1.83 N#CC1CCC(CC1)OCF 9b04daf38c2315036db77bb50611af44 [0,2,0,0,0,0|1,0,1]=4 1723 B11R1.83 N#CC1CCN(CC1)CC=O 52db4b9f40b34f4f89291053a813f76f [0,2,0,0,0,0|2,0,0]=4 1724 B11R1.83 N#C[C@H]1CC[C@@H](CC1)NC=O 1ebcab12dede094736a95073a4d18351 [0,2,0,0,0,0|1,0,0]=3 1725 B11R1.83 N#C[C@H]1CC[C@@H](CC1)OCF d7facb414a105e2c9a965951a87f7b0c [0,2,0,0,0,0|1,0,1]=4 1726 B11R1.83 O=CC1CCC(CC1)OCF 6d8c7e6d8618b519bb9493e8e6c910fd [0,2,0,0,0,0|1,0,1]=4 1727 B11R1.83 O=CCN1CCC(CC1)C=O 61105f1560e6c4f6887c9c04bf6ea038 [0,2,0,0,0,0|2,0,0]=4 1728 B11R1.83 O=CCN1CCC(CC1)CF e8da660ae9cf28a399afbe977e184f97 [0,2,0,0,0,0|2,0,0]=4 1729 B11R1.83 O=CCN1CCC(CC1)CO a03d76533be38a0fce47870972e87e4d [0,2,0,0,0,0|2,0,0]=4 1730 B11R1.83 O=CNC1CCC(CC1)CO 9746ec8f5e4f85d965cc790188dc8afd [0,2,0,0,0,0|1,0,0]=3 1731 B11R1.83 O=CN[C@H]1CC[C@@H](CC1)CO d002a83574d9a8fad5a8779eeb33abfb [0,2,0,0,0,0|1,0,0]=3 1732 B11R1.83 O=CN[C@H]1CC[C@H](CC1)CO 6bf8c884a72a92184263b3724138f2f9 [0,2,0,0,0,0|1,0,0]=3 1733 B11R1.83 O=C[C@H]1CC[C@@H](CC1)OCF 58eafd04aa0e534b42c7218ae5cd8797 [0,2,0,0,0,0|1,0,1]=4 1734 B11R1.83 O=C[C@H]1CC[C@H](CC1)OCF bd1b5e07de1aab59a0cd93e3f095d132 [0,2,0,0,0,0|1,0,1]=4 1735 B11R1.192 CC1CC(CCN1C)NC=O bebb54a662db231671a587b05f482c77 [0,2,0,0,0,0|2,0,0]=4 1736 B11R1.192 CC1CCC(CC1C)OCF 0bf5dff7bcdf809fc1634e4369f5b8cc [0,2,0,0,0,0|1,0,1]=4 1737 B11R1.192 CC1CCN(CC1O)CC=O 374deadc81e57175156206222cf6ab79 [0,2,0,0,0,0|2,0,0]=4 1738 B11R1.192 CC1CN(CCC1O)CC=O 43ec5bae4fbb0e4f723ff6edc4309666 [0,2,0,0,0,0|2,0,0]=4 1739 B11R1.192 CCOC1CCC(C(C1)C)C d24b6e7faefbe3bf1f15394631ab65e5 [0,2,0,0,0,0|1,0,1]=4 1740 B11R1.192 C[C@@H]1CCN(C[C@@H]1O)CC=O 9e7d73cf9bbe4801ec5c46957410d5e9 [0,2,0,0,0,0|2,0,0]=4 1741 B11R1.192 C[C@@H]1CCN(C[C@H]1O)CC=O 7461524b908c71b71e7a66362336f371 [0,2,0,0,0,0|2,0,0]=4 1742 B11R1.192 C[C@@H]1CN(CC[C@H]1O)CC=O 43203da87baa814e24d42fe223f8de05 [0,2,0,0,0,0|2,0,0]=4 1743 B11R1.192 C[C@H]1CCN(C[C@@H]1O)CC=O ed2b432490592b75c4731533799876f2 [0,2,0,0,0,0|2,0,0]=4 1744 B11R1.192 C[C@H]1CCN(C[C@H]1O)CC=O ea195029283e6cdb0e4d9c628a9c880c [0,2,0,0,0,0|2,0,0]=4 1745 B11R1.192 C[C@H]1CN(CC[C@H]1O)CC=O b206113d2aa9657b6d2a210fc02c8d6a [0,2,0,0,0,0|2,0,0]=4 1746 B11R1.192 C[C@H]1C[C@H](CCN1C)NC=O eb071eeda918f424025777b41c35cb4e [0,2,0,0,0,0|2,0,0]=4 1747 B11R1.192 O=CCN1CC[C@@H]([C@H](C1)O)O 4680ac4db1e6f479aa91129ccaec4a65 [0,2,0,0,0,0|2,0,0]=4 1748 B11R1.192 O=CCN1CC[C@H]([C@@H](C1)F)O fcc0f1f3e78f1f8ed03013bfd25aaaee [0,2,0,0,0,0|2,0,0]=4 1749 B11R1.192 O=CCN1CC[C@H]([C@@H](C1)O)F cacaaaae443a7d58fe3c6aa8f10c4d2a [0,2,0,0,0,0|2,0,0]=4 1750 B11R1.192 O=CCN1CC[C@H]([C@H](C1)F)O 55bae39db5246d1af31169c84b4e6ce5 [0,2,0,0,0,0|2,0,0]=4 1751 B11R1.192 O=CCN1CC[C@H]([C@H](C1)O)F 86db2b48333ea368fcaa0c2a922cad95 [0,2,0,0,0,0|2,0,0]=4 1752 B11R1.13 CC1C(CCCN1CC=O)O c9126d7079ce888f05648347afe97ce5 [0,2,0,0,0,0|2,0,0]=4 1753 B11R1.13 CC1CCCC(C1C)NC=O 5bf82a1b4f29264a3432bd7286f5b05d [0,2,0,0,0,0|1,0,0]=3 1754 B11R1.13 CC1CCCC(C1C)OCF 9f6c8e1e2d6f4c150a4696e06f3ece04 [0,2,0,0,0,0|1,0,1]=4 1755 B11R1.13 CCOC1CCCC(C1C)C 4098a7a3821b84edaba6a0d52db91b33 [0,2,0,0,0,0|1,0,1]=4 1756 B11R1.13 C[C@@H]1[C@H](CCCN1CC=O)O 46de7b3029d38337a1ff3bafd28e20ad [0,2,0,0,0,0|2,0,0]=4 1757 B11R1.13 C[C@H]1[C@@H](CCCN1CC=O)O 63be8c17db630c30eb671e890592fabb [0,2,0,0,0,0|2,0,0]=4 1758 B11R1.17 C#CCOC1CCCCC1C de6c309116e3fd7e608abcd5a99821f4 [0,2,0,0,0,0|1,0,1]=4 1759 B11R1.17 C#CCOC1CCCCC1F e62f26c8c942528f99703ba400085bf4 [0,2,0,0,0,0|1,0,1]=4 1760 B11R1.17 C#CCO[C@@H]1CCCC[C@@H]1C cef42b4bbbf2cf3de09407ca45002729 [0,2,0,0,0,0|1,0,1]=4 1761 B11R1.17 C#CCO[C@@H]1CCCC[C@H]1F 6aa41fd82eaa25394f9590d3a82b5c3c [0,2,0,0,0,0|1,0,1]=4 1762 B11R1.17 C#CCO[C@H]1CCCC[C@@H]1C 59932442031a5312dd7713bd79e943c5 [0,2,0,0,0,0|1,0,1]=4 1763 B11R1.17 C#CCO[C@H]1CCCC[C@H]1C 7059b29e56a61d35282285af437ddea8 [0,2,0,0,0,0|1,0,1]=4 1764 B11R1.17 C=CCNC1CCCCC1C 0f8e1cb32627df43b10feebc2d437183 [0,2,0,0,0,0|2,0,0]=4 1765 B11R1.17 C=CCNC1CCCCC1O 207fdcaae57bb9b73b7515f183c0fb56 [0,2,0,0,0,0|2,0,0]=4 1766 B11R1.17 C=CCN[C@@H]1CCCC[C@@H]1C 5a2a4402da25c0ab68bba3cde500961d [0,2,0,0,0,0|2,0,0]=4 1767 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1C 4a6db63969f1730e35d7ac55b1690c81 [0,2,0,0,0,0|2,0,0]=4 1768 B11R1.17 C=CCN[C@@H]1CCCC[C@H]1O ee2cbd0ab8a8e1101abf442442a0b0db [0,2,0,0,0,0|2,0,0]=4 1769 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1C 1c5801197116ba8d45b5c1241369d490 [0,2,0,0,0,0|2,0,0]=4 1770 B11R1.17 C=CCN[C@H]1CCCC[C@@H]1O 28a9d4b13ce4e53ed2761ad834fbcadc [0,2,0,0,0,0|2,0,0]=4 1771 B11R1.17 C=CCN[C@H]1CCCC[C@H]1C 01ef9d6efd289cbc744aeea855c543e1 [0,2,0,0,0,0|2,0,0]=4 1772 B11R1.17 C=CCN[C@H]1CCCC[C@H]1O 5c55d0cef06da69dcf6b28bf1d12fabc [0,2,0,0,0,0|2,0,0]=4 1773 B11R1.17 C=CCOC1CCCCC1=O 7c0d6399ba4bb1218efd714532f64dc7 [0,2,0,0,0,0|1,0,1]=4 1774 B11R1.17 C=CCOC1CCCCC1C 499585986b8d70f4b8d53e77c99298e1 [0,2,0,0,0,0|1,0,0]=3 1775 B11R1.17 C=CCOC1CCCCC1F e0ab31dd3c88aa1a52be31ac2b55ba03 [0,2,0,0,0,0|1,0,0]=3 1776 B11R1.17 C=CCOC1CCOCC1C c0ad1801fa89f6f1c1b2b88d0caa3ca1 [0,2,0,0,0,0|2,0,0]=4 1777 B11R1.17 C=CCOC1CCOCC1F 105cb3a64f9f0a4b60c4bcd7327b3807 [0,2,0,0,0,0|2,0,0]=4 1778 B11R1.17 C=CCO[C@@H]1CCCC[C@@H]1C 4264fb512d1b0adf711f3964d5f98030 [0,2,0,0,0,0|1,0,0]=3 1779 B11R1.17 C=CCO[C@@H]1CCCC[C@H]1F 0b352b4ec41bd728a061c0f1a26337e6 [0,2,0,0,0,0|1,0,0]=3 1780 B11R1.17 C=CCO[C@@H]1CCOC[C@@H]1F 7ab0816b00314d31aff3ff6781361bc4 [0,2,0,0,0,0|2,0,0]=4 1781 B11R1.17 C=CCO[C@H]1CCCC[C@@H]1C 66511d4755f17c1150b367e93f6ee423 [0,2,0,0,0,0|1,0,0]=3 1782 B11R1.17 C=CCO[C@H]1CCCC[C@H]1C 97b8607e579c0b86bed86d48c1d4973a [0,2,0,0,0,0|1,0,0]=3 1783 B11R1.17 C=CCO[C@H]1CCOC[C@@H]1F 51422109901d0ff40bd2e7e5782cc45f [0,2,0,0,0,0|2,0,0]=4 1784 B11R1.17 C=CCO[C@H]1CCOC[C@H]1F fff0f967fd084c57e4501712946b58dc [0,2,0,0,0,0|2,0,0]=4 1785 B11R1.17 CC1CCCCC1CNC=O 258dd7a96deba7febdb8348ed4089e86 [0,2,0,0,0,0|1,0,0]=3 1786 B11R1.17 CC1CCCCC1NCC=O 822891e5e136c9289f9711cfadb5d66b [0,2,0,0,0,0|1,0,0]=3 1787 B11R1.17 CC1CCCCC1OCC#N a4afb4ff4279a3633c12b8e0f2588ed8 [0,2,0,0,0,0|1,0,1]=4 1788 B11R1.17 CC1CCCCC1OCC=O 7bd3b929eded7b7b89c9febdee55a5c2 [0,2,0,0,0,0|0,0,0]=2 1789 B11R1.17 CC1CCCCC1OCCF dbad73d99254e4ee3296ed6293b7e54b [0,2,0,0,0,0|1,0,1]=4 1790 B11R1.17 CC1CCCCC1OCCS 2590ec6e7649626e0ce7c7117fe9347e [0,2,0,0,0,0|0,1,1]=4 1791 B11R1.17 CC1CCCCN1CCC=O a9b3f62835c65e514d20883a1d79e3a5 [0,2,0,0,0,0|2,0,0]=4 1792 B11R1.17 CC1COCCC1NCC=O ed24d9af1ff56d599184a63cb4e59b59 [0,2,0,0,0,0|2,0,0]=4 1793 B11R1.17 CC1COCCC1OCC=O f6081e9b63143383237f6488ee0d71a0 [0,2,0,0,0,0|1,0,0]=3 1794 B11R1.17 CCCOC1CCCCC1C 4d0cd2cc86879eaea764a5e506032648 [0,2,0,0,0,0|1,0,1]=4 1795 B11R1.17 CCCOC1CCCCC1F 5b119750afb6113f1e64ad8ff5224643 [0,2,0,0,0,0|1,0,1]=4 1796 B11R1.17 CCCO[C@@H]1CCCC[C@@H]1C e7057264cfbad8629f9a4688e6a83d4f [0,2,0,0,0,0|1,0,1]=4 1797 B11R1.17 CCCO[C@@H]1CCCC[C@H]1F b046b599956a03824b30c58925a0f1ac [0,2,0,0,0,0|1,0,1]=4 1798 B11R1.17 CCCO[C@H]1CCCC[C@@H]1C 6243eb875afc5a9f4ff394ac6f43dee3 [0,2,0,0,0,0|1,0,1]=4 1799 B11R1.17 CCCO[C@H]1CCCC[C@H]1C 81c2b2c6a4f88908629c095bb85377dd [0,2,0,0,0,0|1,0,1]=4 1800 B11R1.17 CN1CCCCC1CNC=O 1ff54f003791a6b6f4cbc5e12734fa24 [0,2,0,0,0,0|2,0,0]=4 1801 B11R1.17 COCOC1CCCCC1C 04612028f51e6cada192150c12627c72 [0,2,0,0,0,0|0,0,2]=4 1802 B11R1.17 COCOC1CCCCC1F 076f7211c19815684905b29cc9b90905 [0,2,0,0,0,0|0,0,2]=4 1803 B11R1.17 COCO[C@@H]1CCCC[C@@H]1C 13b925b59bd3c505248c6e004437cf1c [0,2,0,0,0,0|0,0,2]=4 1804 B11R1.17 COCO[C@@H]1CCCC[C@H]1F 56d7a3125a81f950136332e73ec2440e [0,2,0,0,0,0|0,0,2]=4 1805 B11R1.17 COCO[C@H]1CCCC[C@@H]1C c1630b0bfee2f4e9e26e6e47add49623 [0,2,0,0,0,0|0,0,2]=4 1806 B11R1.17 COCO[C@H]1CCCC[C@H]1C 40896b335cde93f2f6d498ccca277374 [0,2,0,0,0,0|0,0,2]=4 1807 B11R1.17 CSCOC1CCCCC1C 7ad203cec64717c90481576c7786bb07 [0,2,0,0,0,0|0,1,1]=4 1808 B11R1.17 CSCOC1CCCCC1F 827ec9abf8b18f0c70620ef304fb89ec [0,2,0,0,0,0|0,1,1]=4 1809 B11R1.17 CSCO[C@@H]1CCCC[C@@H]1C 1fa088698c8224331021de5c87e94d80 [0,2,0,0,0,0|0,1,1]=4 1810 B11R1.17 CSCO[C@@H]1CCCC[C@H]1F 4dd2383af96199ae32e5b1a082bded92 [0,2,0,0,0,0|0,1,1]=4 1811 B11R1.17 CSCO[C@H]1CCCC[C@@H]1C 2781b7cfa1a51dc80f8e0408b9fa3d68 [0,2,0,0,0,0|0,1,1]=4 1812 B11R1.17 CSCO[C@H]1CCCC[C@H]1C d966848fd97cf8f4c939348557cc6d17 [0,2,0,0,0,0|0,1,1]=4 1813 B11R1.17 C[C@@H]1CCCCN1CCC=O 15385e821b5f4feb5b8d61f6bf0c2a42 [0,2,0,0,0,0|2,0,0]=4 1814 B11R1.17 C[C@@H]1CCCC[C@@H]1NCC=O 5ccf3c74006165bda80577a764d074e4 [0,2,0,0,0,0|1,0,0]=3 1815 B11R1.17 C[C@@H]1CCCC[C@@H]1OCC#N c8ab6acc8d3f8f867ac85e66ba75ff5d [0,2,0,0,0,0|1,0,1]=4 1816 B11R1.17 C[C@@H]1CCCC[C@@H]1OCC=O d1ac85bc7593435da4239136c56deef0 [0,2,0,0,0,0|0,0,0]=2 1817 B11R1.17 C[C@@H]1CCCC[C@@H]1OCCF 2eefa151e6e59f054bbaee32ba283c98 [0,2,0,0,0,0|1,0,1]=4 1818 B11R1.17 C[C@@H]1CCCC[C@@H]1OCCS f63be3378242d696b498bcbf6b6b9ab8 [0,2,0,0,0,0|0,1,1]=4 1819 B11R1.17 C[C@@H]1CCCC[C@H]1NCC=O f70fafce3f9483650deb6f77db1dcfdc [0,2,0,0,0,0|1,0,0]=3 1820 B11R1.17 C[C@@H]1COCC[C@@H]1NCC=O 1865100cbf3991f0eddc1c91085f1048 [0,2,0,0,0,0|2,0,0]=4 1821 B11R1.17 C[C@H]1CCCCN1CCC=O d1b1585713c65dadb2c8cfd5d7289b26 [0,2,0,0,0,0|2,0,0]=4 1822 B11R1.17 C[C@H]1CCCC[C@@H]1NCC=O 2297d6775451edf05514321d3fbe377c [0,2,0,0,0,0|1,0,0]=3 1823 B11R1.17 C[C@H]1CCCC[C@@H]1OCC#N c6e248f3f3c3dc7122db82f41caad172 [0,2,0,0,0,0|1,0,1]=4 1824 B11R1.17 C[C@H]1CCCC[C@@H]1OCC=O 302cd3a8de23eda591da0b5f068e9827 [0,2,0,0,0,0|0,0,0]=2 1825 B11R1.17 C[C@H]1CCCC[C@@H]1OCCF 5ccb609b65c8c6d0dc7a9e72cf4f2317 [0,2,0,0,0,0|1,0,1]=4 1826 B11R1.17 C[C@H]1CCCC[C@@H]1OCCS 11d3d12f0afaac2d5b26f85f6cc2f69e [0,2,0,0,0,0|0,1,1]=4 1827 B11R1.17 C[C@H]1CCCC[C@H]1NCC=O 9cc410cce0514e4359d7296e58cd83d6 [0,2,0,0,0,0|1,0,0]=3 1828 B11R1.17 C[C@H]1CCCC[C@H]1OCC#N cbebc22ba5befa17acab299276faac24 [0,2,0,0,0,0|1,0,1]=4 1829 B11R1.17 C[C@H]1CCCC[C@H]1OCC=O 618550352360bab8ec27f338b1353a30 [0,2,0,0,0,0|0,0,0]=2 1830 B11R1.17 C[C@H]1CCCC[C@H]1OCCF 2abb0a28c254dd3dbe118b235d42bc1f [0,2,0,0,0,0|1,0,1]=4 1831 B11R1.17 C[C@H]1CCCC[C@H]1OCCS ffd9997f4f199afa9828e6a571afc26b [0,2,0,0,0,0|0,1,1]=4 1832 B11R1.17 C[C@H]1COCC[C@H]1NCC=O 7ed140f571a1a877852089ee6642b244 [0,2,0,0,0,0|2,0,0]=4 1833 B11R1.17 FC1CCCCC1OCCS 2896b7fcf1674c2c59835dd53468f9e8 [0,2,0,0,0,0|0,1,1]=4 1834 B11R1.17 FCCOC1CCCCC1F 638126321e6a9cc61c44ffc74666b02d [0,2,0,0,0,0|1,0,1]=4 1835 B11R1.17 FCCO[C@@H]1CCCC[C@H]1F 8c76ae2b495403cf589b86b0f7c8fd8f [0,2,0,0,0,0|1,0,1]=4 1836 B11R1.17 F[C@@H]1CCCC[C@H]1OCCS 4b72a244d84539c4ccb4357903a2d83b [0,2,0,0,0,0|0,1,1]=4 1837 B11R1.17 N#CCOC1CCCCC1F 8e60f31031596ae7ae2fb6f21e2a42ab [0,2,0,0,0,0|1,0,1]=4 1838 B11R1.17 N#CCO[C@@H]1CCCC[C@H]1F 12bb14af302d02c26400e7f42d68c9b4 [0,2,0,0,0,0|1,0,1]=4 1839 B11R1.17 O=CCNC1CCCCC1O ccf03e475b42dc4fe89b7584e87e45b7 [0,2,0,0,0,0|1,0,0]=3 1840 B11R1.17 O=CCNC1CCOCC1O 6d080c1a27fca9a279a54a6f43a98696 [0,2,0,0,0,0|2,0,0]=4 1841 B11R1.17 O=CCN[C@@H]1CCCC[C@H]1O 1b31fa31ebde8fc8b834456456cc27f4 [0,2,0,0,0,0|1,0,0]=3 1842 B11R1.17 O=CCN[C@@H]1CCOC[C@@H]1O 42efed33c8aed331199f8da60baa3a76 [0,2,0,0,0,0|2,0,0]=4 1843 B11R1.17 O=CCN[C@@H]1CCOC[C@H]1F 57346fd4b572b29a455b7a66b7102f7e [0,2,0,0,0,0|2,0,0]=4 1844 B11R1.17 O=CCN[C@@H]1CCOC[C@H]1O 464ddccadcf21b9c3ce755ae70c4fee7 [0,2,0,0,0,0|2,0,0]=4 1845 B11R1.17 O=CCN[C@@H]1COCC[C@@H]1O a9fda6e46d9d5f6ed1deeedf71fc73d0 [0,2,0,0,0,0|2,0,0]=4 1846 B11R1.17 O=CCN[C@@H]1COCC[C@H]1O be90919a1191d5019fb5affd322295f0 [0,2,0,0,0,0|2,0,0]=4 1847 B11R1.17 O=CCN[C@H]1CCCC[C@@H]1O f7e1b7228d7aa13c14e004e83b31b729 [0,2,0,0,0,0|1,0,0]=3 1848 B11R1.17 O=CCN[C@H]1CCCC[C@H]1O b185ae73559d2735ee8f823fd465ae06 [0,2,0,0,0,0|1,0,0]=3 1849 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1F d70c3f6d58dbd290043ff96ea6d4e46e [0,2,0,0,0,0|2,0,0]=4 1850 B11R1.17 O=CCN[C@H]1CCOC[C@@H]1O 5510045d025134af2e3166a0a12e9237 [0,2,0,0,0,0|2,0,0]=4 1851 B11R1.17 O=CCN[C@H]1CCOC[C@H]1O c6663322ab09d6852b35174750732646 [0,2,0,0,0,0|2,0,0]=4 1852 B11R1.17 O=CCN[C@H]1COCC[C@@H]1O c170160501f494b74082b341d9ab8886 [0,2,0,0,0,0|2,0,0]=4 1853 B11R1.17 O=CCN[C@H]1COCC[C@H]1O 467c37b3c66914080f80710bcbcb46ad [0,2,0,0,0,0|2,0,0]=4 1854 B11R1.17 O=CCOC1CCCC=C1Br eeae24bf818c50fb8b08ef7e99d3161c [0,2,0,0,0,0|0,0,2]=4 1855 B11R1.17 O=CCOC1CCCCC1=O 6f0428b216be6f3298c638f28c946743 [0,2,0,0,0,0|0,0,1]=3 1856 B11R1.17 O=CCOC1CCCCC1F 43f570b02cbac0a2c7872aaa8027cf7e [0,2,0,0,0,0|0,0,0]=2 1857 B11R1.17 O=CCOC1CCCNC1=O b52abebcd87cd604988de686a4cb5fe5 [0,2,0,0,0,0|1,0,1]=4 1858 B11R1.17 O=CCOC1CCCOC1=O 81d31c362e0a7c70e40b0ea10c4c7da2 [0,2,0,0,0,0|1,0,1]=4 1859 B11R1.17 O=CCOC1CCOCC1F d32f6f62225893c70a363c7e231c7c76 [0,2,0,0,0,0|1,0,0]=3 1860 B11R1.17 O=CCO[C@@H]1CCCC[C@H]1F 387cb05df7314dd3c1a9efe9af5937e4 [0,2,0,0,0,0|0,0,0]=2 1861 B11R1.17 O=CCO[C@@H]1CCCNC1=O 0374419bb3c73c5dec482d8517889ec1 [0,2,0,0,0,0|1,0,1]=4 1862 B11R1.17 O=CCO[C@@H]1CCOC[C@@H]1F ec0b67eebf0d3981530045d5de20bbc8 [0,2,0,0,0,0|1,0,0]=3 1863 B11R1.17 O=CCO[C@H]1CCCNC1=O d67dc95a37a3d046a6886ef4211628ce [0,2,0,0,0,0|1,0,1]=4 1864 B11R1.17 O=CCO[C@H]1CCOC[C@@H]1F f7a147e6b343bd6cbaa8d15648a0d0c4 [0,2,0,0,0,0|1,0,0]=3 1865 B11R1.17 O=CCO[C@H]1CCOC[C@H]1F 5025e784d21038c3022af31587bc267b [0,2,0,0,0,0|1,0,0]=3 1866 B11R1.17 O=CNCC1CCCCC1O 438da8e64898a3094d65ec7aa4e7597b [0,2,0,0,0,0|1,0,0]=3 1867 B11R1.17 O=CNCC1CSCCC1O 9b4253baa60895d340049d19e6d32a57 [0,2,0,0,0,0|2,0,0]=4 1868 B11R1.41 C#CC1CCCCC1OCC 11d03ec38e105c1077a77b10c0f43e52 [0,2,0,0,0,0|1,0,1]=4 1869 B11R1.41 C#CC1CCCCC1OCF 84a418d0e8fe62efa0cff9be6250e0c0 [0,2,0,0,0,0|1,0,1]=4 1870 B11R1.41 C#CC1CCCCN1CC=O b436fbdfe06f3ff757a2efe778fa11bc [0,2,0,0,0,0|2,0,0]=4 1871 B11R1.41 C#C[C@@H]1CCCC[C@@H]1OCC 3f9387ae5f19f01dc9bd2ab37ef91438 [0,2,0,0,0,0|1,0,1]=4 1872 B11R1.41 C#C[C@@H]1CCCC[C@@H]1OCF becd7312133518af8ecea3a64a58206d [0,2,0,0,0,0|1,0,1]=4 1873 B11R1.41 C#C[C@@H]1CCCC[C@H]1OCC cd8a4dd470d1785f1ad7760e915998b8 [0,2,0,0,0,0|1,0,1]=4 1874 B11R1.41 C#C[C@@H]1CCCC[C@H]1OCF b0be058e6572472838b79395215b7562 [0,2,0,0,0,0|1,0,1]=4 1875 B11R1.41 CCC1CCCCC1OCF 1cd08105dd638695cc6af1465a6af2c4 [0,2,0,0,0,0|1,0,1]=4 1876 B11R1.41 CCC1CCCCN1CC=O 748aabe74482115f55e00322a7b46875 [0,2,0,0,0,0|2,0,0]=4 1877 B11R1.41 CCC1COCCC1NC=O 9765dbe94cce8d7e77e2060d0e49c2f2 [0,2,0,0,0,0|2,0,0]=4 1878 B11R1.41 CCOC1CCCCC1CC 810042b55fdd81b47fd5fb695851c34e [0,2,0,0,0,0|1,0,1]=4 1879 B11R1.41 CCOC1CCCCC1OC b532451a5bdbf718fe078517509cf76d [0,2,0,0,0,0|1,0,1]=4 1880 B11R1.41 CCO[C@@H]1CCCC[C@H]1SC 2993473c789d05460b7803f356cbcc00 [0,2,0,0,0,0|1,0,1]=4 1881 B11R1.41 CC[C@@H]1CCCCN1CC=O 4159365175d2ec814c24df618d6c0669 [0,2,0,0,0,0|2,0,0]=4 1882 B11R1.41 CC[C@H]1CCCCN1CC=O 91e74095fda1ba31ae667e551915a7e2 [0,2,0,0,0,0|2,0,0]=4 1883 B11R1.41 COC1CCCCC1NC=O cc5e2a74ace5b96f1afb859e3def4284 [0,2,0,0,0,0|1,0,0]=3 1884 B11R1.41 COC1CCCCC1OCF 18391e98e9d5d7752fd1211205dddc51 [0,2,0,0,0,0|1,0,1]=4 1885 B11R1.41 CO[C@@H]1COCC[C@@H]1NC=O 0c0c9c16178e0de9a098d1ae8ae1172d [0,2,0,0,0,0|2,0,0]=4 1886 B11R1.41 CO[C@@H]1COCC[C@H]1NC=O 91881cc1c7545a3ab1c6dbe65524ad46 [0,2,0,0,0,0|2,0,0]=4 1887 B11R1.41 CO[C@H]1CCCC[C@@H]1NC=O f68560348deb1cf0ef006703908d203d [0,2,0,0,0,0|1,0,0]=3 1888 B11R1.41 CO[C@H]1COCC[C@@H]1NC=O fb47511d465864a5aa00d803f468841f [0,2,0,0,0,0|2,0,0]=4 1889 B11R1.41 CO[C@H]1COCC[C@H]1NC=O 60aae49333f2908c7c88a0cbdb032c04 [0,2,0,0,0,0|2,0,0]=4 1890 B11R1.41 CS[C@@H]1CCCC[C@H]1OCF 32b730335c5e08e68e3bf3b6aee6b345 [0,2,0,0,0,0|1,0,1]=4 1891 B11R1.41 N#CC1CCCCN1CC=O 1b5e8540272274103a23cb5019d97465 [0,2,0,0,0,0|2,0,0]=4 1892 B11R1.41 N#C[C@@H]1CCCCN1CC=O c8abbc51f41909e420728173b6d98462 [0,2,0,0,0,0|2,0,0]=4 1893 B11R1.41 N#C[C@H]1CCCCN1CC=O 06c073e081f07c1fca855fce8dd2b872 [0,2,0,0,0,0|2,0,0]=4 1894 B11R1.41 O=CCN1CCCCC1C=O d127896abc999bf0da76a8bdf35d1e61 [0,2,0,0,0,0|2,0,0]=4 1895 B11R1.41 O=CCN1CCCCC1CO 48cda386568df1883dff822fa7f6127f [0,2,0,0,0,0|2,0,0]=4 1896 B11R1.41 O=CCN1CCCC[C@@H]1CO d70841756a3e93b7ed5cb250d3fabcfd [0,2,0,0,0,0|2,0,0]=4 1897 B11R1.41 O=CCN1CCCC[C@H]1CO 73f1dc92f2db511a8dc812ca4bfbaac4 [0,2,0,0,0,0|2,0,0]=4 1898 B11R1.41 O=CNC1CCOCC1CO 04b66acc30d7e7d236fa652735ba4a92 [0,2,0,0,0,0|2,0,0]=4 1899 B11R1.41 O=CN[C@@H]1CCCC[C@@H]1CO 9d20d8d62d25011a622962147aa3b6d2 [0,2,0,0,0,0|1,0,0]=3 1900 B11R1.41 O=CN[C@@H]1CCCC[C@H]1CO f353a135c51fbe92959326a57efea182 [0,2,0,0,0,0|1,0,0]=3 1901 B11R1.41 O=CN[C@@H]1CCOC[C@@H]1CO 23406e48be36da508ab477e666b3e8cf [0,2,0,0,0,0|2,0,0]=4 1902 B11R1.41 O=CN[C@H]1CCCC[C@H]1CO 77e3fca0ffe3271fe24eb97865c93f43 [0,2,0,0,0,0|1,0,0]=3 1903 B11R1.86 CC(=O)NC1CCCCC1C 670701ef37830c881dfd98f284b6eaef [0,2,0,0,0,0|1,0,0]=3 1904 B11R1.86 CC(=O)NC1CCCCC1O bc79a4a57827afa3a4fa640017043055 [0,2,0,0,0,0|1,0,0]=3 1905 B11R1.86 CC(=O)NC1CCOCC1C edce8fbaf211b854c7f2ed742fd852ac [0,2,0,0,0,0|2,0,0]=4 1906 B11R1.86 CC(=O)NC1CCOCC1O cb746fa02122a1c8e989262a386091b1 [0,2,0,0,0,0|2,0,0]=4 1907 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1C 2bac565059009b92e61af1d1f0ba1ffd [0,2,0,0,0,0|1,0,0]=3 1908 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1C 479fb6aae9438e2010ab8b66de7f20cf [0,2,0,0,0,0|1,0,0]=3 1909 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O db67c1bdd3ca05ff8229e30fa13e50d9 [0,2,0,0,0,0|1,0,0]=3 1910 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1C 248ac71d47aadfd8f2eeffdc90582804 [0,2,0,0,0,0|2,0,0]=4 1911 B11R1.86 CC(=O)N[C@@H]1CCOC[C@@H]1O 5251c2796e93ed258960602eafe4f324 [0,2,0,0,0,0|2,0,0]=4 1912 B11R1.86 CC(=O)N[C@@H]1CCOC[C@H]1F 4f420ebee40698c307e49ee9c6af0122 [0,2,0,0,0,0|2,0,0]=4 1913 B11R1.86 CC(=O)N[C@@H]1CCOC[C@H]1O 817b64886b10369169918ea81c6ac193 [0,2,0,0,0,0|2,0,0]=4 1914 B11R1.86 CC(=O)N[C@@H]1COCC[C@@H]1O 5f343067535cbb6efe6f9ac8f2cfc299 [0,2,0,0,0,0|2,0,0]=4 1915 B11R1.86 CC(=O)N[C@@H]1COCC[C@H]1O 869f7a7742874e07df4c6c076fc79d56 [0,2,0,0,0,0|2,0,0]=4 1916 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1C 18a83c7bce0c6708eeacbe02f36aa7ad [0,2,0,0,0,0|1,0,0]=3 1917 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O cd06a0c7fdec32c28b7b1670c804df5a [0,2,0,0,0,0|1,0,0]=3 1918 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1C c4b6727756a1c9df9d0de80b9b0690de [0,2,0,0,0,0|1,0,0]=3 1919 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1O 3d7a6b45c93e0f7c67e70ae3e747c43c [0,2,0,0,0,0|1,0,0]=3 1920 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1F eee6e1972846d96f5b0db9b205ce6ccc [0,2,0,0,0,0|2,0,0]=4 1921 B11R1.86 CC(=O)N[C@H]1CCOC[C@@H]1O 766dd2f31551893d0f625a222f7f4efe [0,2,0,0,0,0|2,0,0]=4 1922 B11R1.86 CC(=O)N[C@H]1CCOC[C@H]1C 32b6893bb7f4f962fa7d51cc42867b19 [0,2,0,0,0,0|2,0,0]=4 1923 B11R1.86 CC(=O)N[C@H]1CCOC[C@H]1O fe90578a9a63664c28a2dedd612c7a5d [0,2,0,0,0,0|2,0,0]=4 1924 B11R1.86 CC(=O)N[C@H]1COCC[C@@H]1O 05299134e04c83f554aa1112864b71ab [0,2,0,0,0,0|2,0,0]=4 1925 B11R1.86 CC(=O)N[C@H]1COCC[C@H]1O 70b05ac012a26d313e29548ce8507da1 [0,2,0,0,0,0|2,0,0]=4 1926 B11R1.86 CC(C)OC1CCCCC1C b4c267bb3b9407b9284b4f055ae2de60 [0,2,0,0,0,0|1,0,1]=4 1927 B11R1.86 CC(C)OC1CCCCC1F 175e2060d6b5b69445f61e890d59ebc4 [0,2,0,0,0,0|1,0,1]=4 1928 B11R1.86 CC(C)O[C@@H]1CCCC[C@@H]1C f3f862e5cd7c7e64b484aab9f56b2096 [0,2,0,0,0,0|1,0,1]=4 1929 B11R1.86 CC(C)O[C@@H]1CCCC[C@H]1F 7269fb47453e7ef3d70e17da1c9f95d6 [0,2,0,0,0,0|1,0,1]=4 1930 B11R1.86 CC(C)O[C@H]1CCCC[C@@H]1C 64cafc3979af74337ea251fe8ffa8fbe [0,2,0,0,0,0|1,0,1]=4 1931 B11R1.86 CC(C)O[C@H]1CCCC[C@H]1C 39bbc4065e1eb39991f25781ceb406de [0,2,0,0,0,0|1,0,1]=4 1932 B11R1.86 CC1CCCCN1CC(=O)N 95d8db6234d5d946df75a0454d896ca4 [0,2,0,0,0,0|2,0,0]=4 1933 B11R1.86 CC1CCCCN1CC(=O)O ae84160ac6931f8f66d20194a2549691 [0,2,0,0,0,0|2,0,0]=4 1934 B11R1.86 C[C@@H]1CCCCN1CC(=O)N 224870232655bdf8beec7ae59fbf7936 [0,2,0,0,0,0|2,0,0]=4 1935 B11R1.86 C[C@@H]1CCCCN1CC(=O)O e977167422de3a18af9f7c21c4b88fdb [0,2,0,0,0,0|2,0,0]=4 1936 B11R1.86 C[C@H]1CCCCN1CC(=O)N eeecbfc2e69926c3df9a2ea739e8e528 [0,2,0,0,0,0|2,0,0]=4 1937 B11R1.86 C[C@H]1CCCCN1CC(=O)O b00078cb16b191d42880e0e45b0eac26 [0,2,0,0,0,0|2,0,0]=4 1938 B11R1.182 CC1CCC(C(C1)OCF)C 2d9e9530690521416f4055d2b89b2a2d [0,2,0,0,0,0|1,0,1]=4 1939 B11R1.182 CC1CCC(CN1CC=O)O ff9a716b31490cc4cccc362f257506a6 [0,2,0,0,0,0|2,0,0]=4 1940 B11R1.182 CCOC1CC(CCC1C)C 33ca5bb47c81f1fcde925eecbfed1877 [0,2,0,0,0,0|1,0,1]=4 1941 B11R1.182 C[C@@H]1CC[C@H](CN1CC=O)O 590d15a639d91a5a6281b3931e34bbd3 [0,2,0,0,0,0|2,0,0]=4 1942 B11R1.191 CC1(CCCCC1NC=O)C 399d48ef2d9749724b23989a3ed85538 [0,2,0,0,0,0|1,0,0]=3 1943 B11R1.191 CC1(CCCCC1NC=O)O bff8372e18ab19a6ae21ae7925983638 [0,2,0,0,0,0|1,0,0]=3 1944 B11R1.191 CC1(CCCCC1OCF)C a37c21803b3101bde4b43f5ae35d8fca [0,2,0,0,0,0|1,0,1]=4 1945 B11R1.191 CC1(CCCCN1CC=O)C 68b6f85de9bc391cf2741feb23e8a659 [0,2,0,0,0,0|2,0,0]=4 1946 B11R1.191 CC1(COCCC1NC=O)C 8b86279361c8a32e7e6525aa41132c5d [0,2,0,0,0,0|2,0,0]=4 1947 B11R1.191 CCOC1CCCCC1(C)C ffb41d0422e8151677e995843e539298 [0,2,0,0,0,0|1,0,1]=4 1948 B11R1.191 CCOC1CCCCC1(F)F 27a6c9f2987cf691be5ef7d45536520f [0,2,0,0,0,0|1,0,1]=4 1949 B11R1.191 FCOC1CCCCC1(F)F d43ee6653ad3144e949e4d6830995416 [0,2,0,0,0,0|1,0,1]=4 1950 B11R1.191 O=CNC1CCCCC1(F)F 51185d53bffc0de124042ab9fec18e98 [0,2,0,0,0,0|1,0,0]=3 1951 B11R1.191 O=CNC1COCCC1(F)F 11f8fdbf53c8a0ed2aa5a9a5abb9d3a2 [0,2,0,0,0,0|2,0,0]=4 1952 B11R1.222 CC(C=O)N1CCCCC1C e6729ab0dfb9e07ef37f9e01ca438481 [0,2,0,0,0,0|2,0,0]=4 1953 B11R1.222 CC(C=O)N1CCCC[C@@H]1C 0a9d70f37a64ebcd1bfb08bd07fbdfaa [0,2,0,0,0,0|2,0,0]=4 1954 B11R1.222 CC(C=O)N1CCCC[C@H]1C c9975310cc492ffa5d52198516c31590 [0,2,0,0,0,0|2,0,0]=4 1955 B11R1.222 CC1CCCCN1C(=O)C=O 2892a74f4a16871a90474e06d74388f9 [0,2,0,0,0,0|2,0,0]=4 1956 B11R1.222 CC1CCCCN1[C@H](C)C=O 1da49ebee89836f0d53762b8d8f18fff [0,2,0,0,0,0|2,0,0]=4 1957 B11R1.222 CN(C=O)[C@@H]1CCCC[C@H]1O 69efb889ad400dbefb4291280ad267a7 [0,2,0,0,0,0|1,0,0]=3 1958 B11R1.222 CN(C=O)[C@H]1CCCC[C@@H]1O c9906e7af070457acc44032f40b3515a [0,2,0,0,0,0|1,0,0]=3 1959 B11R1.222 CN(C=O)[C@H]1CCCC[C@H]1O 207e7043a180a082fab0328f5777a393 [0,2,0,0,0,0|1,0,0]=3 1960 B11R1.222 C[C@@H]1CCCCN1C(=O)C=O 12cad2dbfc5561d4317760834fa5dd7a [0,2,0,0,0,0|2,0,0]=4 1961 B11R1.222 C[C@H](C=O)N1CCCC[C@@H]1C 22b368bbb3c0d4d6a87b371bc5c701a7 [0,2,0,0,0,0|2,0,0]=4 1962 B11R1.222 C[C@H](C=O)N1CCCC[C@H]1C 10485b522302a4d3fd0fc40d19754ecc [0,2,0,0,0,0|2,0,0]=4 1963 B11R1.222 C[C@H]1CCCCN1C(=O)C=O 27bb5acce87176d3c595dde750caf102 [0,2,0,0,0,0|2,0,0]=4 1964 B11R1.605 CC1CCCC(C1OCF)C 4cf95f9b7208f4468fcad7c4a94714da [0,2,0,0,0,0|1,0,1]=4 1965 B11R1.605 CC1CCCC(N1CC=O)C 77588300ee2271b5dfd32fc781987991 [0,2,0,0,0,0|2,0,0]=4 1966 B11R1.605 CCOC1C(CCCC1C)C 30abb37be90a01722ca4faa64380cfec [0,2,0,0,0,0|1,0,1]=4 1967 B11R1.605 C[C@@H]1CCC[C@@H](N1CC=O)C f8741cacb83a2c7e07dd5c7a9647a20b [0,2,0,0,0,0|2,0,0]=4 1968 B11R1.605 C[C@@H]1CCC[C@H](N1CC=O)C cc7d7b2314fbc20f3da68985a17cb621 [0,2,0,0,0,0|2,0,0]=4 1969 B11R1.605 C[C@H]1CCC[C@@H](N1CC=O)C 434f83b4eae1841552b8fb03d863fa00 [0,2,0,0,0,0|2,0,0]=4 1970 B11R1.605 O=CN[C@H]1[C@@H](CCC[C@@H]1O)O 96dcd4c18eca8165eae213b752b38678 [0,2,0,0,0,0|1,0,0]=3 1971 B11R1.23 CC(C=O)N1CCCC(C1)F eed13e50018ba46ec2997dc16a253162 [0,2,0,0,0,0|2,0,0]=4 1972 B11R1.23 CC(C=O)N1CCCC(C1)O d128478599bc3834ce1bf0f3d453809f [0,2,0,0,0,0|2,0,0]=4 1973 B11R1.23 CC(C=O)N1CCC[C@@H](C1)C 115f57877190fc7395f99d67f03b64b5 [0,2,0,0,0,0|2,0,0]=4 1974 B11R1.23 CC(C=O)N1CCC[C@@H](C1)F 00d62aca4bcdd86e111e9f55ccce116b [0,2,0,0,0,0|2,0,0]=4 1975 B11R1.23 CC(C=O)N1CCC[C@@H](C1)O 2408ce19d2565149122fbaa936f61ac8 [0,2,0,0,0,0|2,0,0]=4 1976 B11R1.23 CC(C=O)N1CCC[C@H](C1)C 0a0d97e208c5c7009f99599169961e0a [0,2,0,0,0,0|2,0,0]=4 1977 B11R1.23 CC(C=O)N1CCC[C@H](C1)F bb3ecea41a0f8cf7d18cb43e731f4be8 [0,2,0,0,0,0|2,0,0]=4 1978 B11R1.23 CC(C=O)N1CCC[C@H](C1)O dc2ee7752b1084efd47dedb18399fb06 [0,2,0,0,0,0|2,0,0]=4 1979 B11R1.23 CC1CCCN(C1)C(=O)C=O fc16aa0c34ca78f8a62d27cad7a7bdeb [0,2,0,0,0,0|2,0,0]=4 1980 B11R1.23 CC1CCCN(C1)C(C)C=O 8fbd8b4ad0bdd14532c0024d738b4101 [0,2,0,0,0,0|2,0,0]=4 1981 B11R1.23 CC1CCCN(C1)[C@H](C)C=O c2e79fdd5936632467b8fd064e3d7ee4 [0,2,0,0,0,0|2,0,0]=4 1982 B11R1.23 CN(C=O)C1CCCC(C1)O 9b767bbb2dcb2e2d08a4fbe9fd1c7701 [0,2,0,0,0,0|1,0,0]=3 1983 B11R1.23 CN(C=O)[C@@H]1CCC[C@H](C1)O c7618bdfcf3c382d22b12defb64c9d16 [0,2,0,0,0,0|1,0,0]=3 1984 B11R1.23 CN(C=O)[C@H]1CCC[C@@H](C1)O d5ee9d7190ffa0c91396ba7df0ba5380 [0,2,0,0,0,0|1,0,0]=3 1985 B11R1.23 CN1CCC[C@@H](C1)N(C)C=O dc0575cef58d8ebe47d89e5da997d54d [0,2,0,0,0,0|2,0,0]=4 1986 B11R1.23 CN1CCC[C@H](C1)N(C)C=O 0c7e2d1ea84dde5d3f0f3cc0b5fb7805 [0,2,0,0,0,0|2,0,0]=4 1987 B11R1.23 C[C@@H]1CCCN(C1)C(=O)C=O d7b75cf711e4001c7d4df82df242904c [0,2,0,0,0,0|2,0,0]=4 1988 B11R1.23 C[C@@H]1CCCN(C1)[C@H](C)C=O 2c7143a4bd428aa9ef73af0844d1b63d [0,2,0,0,0,0|2,0,0]=4 1989 B11R1.23 C[C@H](C=O)N1CCCC(C1)F ef9dafc474bed9a27083dd6154765864 [0,2,0,0,0,0|2,0,0]=4 1990 B11R1.23 C[C@H](C=O)N1CCCC(C1)O 73dab1c5b9ef8580eee52e9a31c6d6f2 [0,2,0,0,0,0|2,0,0]=4 1991 B11R1.23 C[C@H](C=O)N1CCC[C@@H](C1)F 02ccce7fbcbfb82e09d7e67b09c3e468 [0,2,0,0,0,0|2,0,0]=4 1992 B11R1.23 C[C@H](C=O)N1CCC[C@@H](C1)O 364105ff2bcbaa4eb79049b9dc306931 [0,2,0,0,0,0|2,0,0]=4 1993 B11R1.23 C[C@H](C=O)N1CCC[C@H](C1)F a069f691dadc8b4768acc67f96036840 [0,2,0,0,0,0|2,0,0]=4 1994 B11R1.23 C[C@H](C=O)N1CCC[C@H](C1)O 3b8f2ac32a6222d1c3abc551d7001215 [0,2,0,0,0,0|2,0,0]=4 1995 B11R1.23 C[C@H]1CCCN(C1)C(=O)C=O 6093b15ace88bc127962456c3021fc2a [0,2,0,0,0,0|2,0,0]=4 1996 B11R1.23 C[C@H]1CCCN(C1)[C@H](C)C=O eb6a8a4f245e3490af5ec3c4d83c0f34 [0,2,0,0,0,0|2,0,0]=4 1997 B11R1.23 O=CC(=O)N1CCCC(C1)F 9e5453ad586ad3d60f271147b2dfe0a4 [0,2,0,0,0,0|2,0,0]=4 1998 B11R1.23 O=CC(=O)N1CCCC(C1)O 7b1acf1b78649e3696de1f56450c8aa0 [0,2,0,0,0,0|2,0,0]=4 1999 B11R1.23 O=CC(=O)N1CCC[C@@H](C1)F 60f22e91e07c5d41510c33f7899eb060 [0,2,0,0,0,0|2,0,0]=4 2000 B11R1.23 O=CC(=O)N1CCC[C@@H](C1)O b79eca0fc43a3b2a758c7e13bb437581 [0,2,0,0,0,0|2,0,0]=4 2001 B11R1.23 O=CC(=O)N1CCC[C@H](C1)F ee1298ee7a247e67043576149c553271 [0,2,0,0,0,0|2,0,0]=4 2002 B11R1.23 O=CC(=O)N1CCC[C@H](C1)O d6305abdfd093035b56fb10eb037aa60 [0,2,0,0,0,0|2,0,0]=4 2003 B11R1.24 C#CCOC1CCCC(C1)C b5bcc1d5859396fd4246e19e2c79c5d9 [0,2,0,0,0,0|1,0,1]=4 2004 B11R1.24 C#CCO[C@@H]1CCC[C@@H](C1)C 08ea033e3ee659796da7843c26fac795 [0,2,0,0,0,0|1,0,1]=4 2005 B11R1.24 C#CCO[C@H]1CCC[C@@H](C1)C c793af54fc3283067e81d6c49d4d53cd [0,2,0,0,0,0|1,0,1]=4 2006 B11R1.24 C#CCO[C@H]1CCC[C@H](C1)C e95e034cffb5fdafec2e82b6223b7c33 [0,2,0,0,0,0|1,0,1]=4 2007 B11R1.24 C=CCNC1CCCC(C1)C 35587d0a5f6b4d27dc9421a54b3c5646 [0,2,0,0,0,0|2,0,0]=4 2008 B11R1.24 C=CCNC1CCCC(C1)O 8eb0ef24456e7e80580652623a13a40d [0,2,0,0,0,0|2,0,0]=4 2009 B11R1.24 C=CCN[C@@H]1CCC[C@@H](C1)O 65d5de3d2677c580c7c20b52771b6f38 [0,2,0,0,0,0|2,0,0]=4 2010 B11R1.24 C=CCN[C@@H]1CCC[C@H](C1)C d36e31c01ba47090a6901d7b34cd04e1 [0,2,0,0,0,0|2,0,0]=4 2011 B11R1.24 C=CCN[C@@H]1CCC[C@H](C1)O 73e0e089a45131fa94e58d3f0e9a0410 [0,2,0,0,0,0|2,0,0]=4 2012 B11R1.24 C=CCN[C@H]1CCC[C@@H](C1)O 0bd5cc838709c0a6941a303b926f9aa9 [0,2,0,0,0,0|2,0,0]=4 2013 B11R1.24 C=CCN[C@H]1CCC[C@H](C1)O b136319756265f960e15361346d2564b [0,2,0,0,0,0|2,0,0]=4 2014 B11R1.24 C=CCOC1CCCC(=O)C1 00c799e2473105c732a7980796ffed52 [0,2,0,0,0,0|1,0,1]=4 2015 B11R1.24 C=CCOC1CCCC(C1)C 0c07a2612b7fbc66bc17a62aed21856c [0,2,0,0,0,0|1,0,0]=3 2016 B11R1.24 C=CCOC1CCCN(C1)C 864ca621d0a2324e19816f2f940e28d5 [0,2,0,0,0,0|2,0,0]=4 2017 B11R1.24 C=CCOC1CCOC(C1)C 9c1c144169a591f81c2639afd6f4e316 [0,2,0,0,0,0|2,0,0]=4 2018 B11R1.24 C=CCO[C@@H]1CCCN(C1)C 4364d3c7ccdb0f3544200aa50cdade1d [0,2,0,0,0,0|2,0,0]=4 2019 B11R1.24 C=CCO[C@@H]1CCC[C@@H](C1)C b4e006868d015eb24c781e024135c509 [0,2,0,0,0,0|1,0,0]=3 2020 B11R1.24 C=CCO[C@@H]1CCO[C@@H](C1)C eb8c9638e38ed7f0e3fcb76edd5e89b7 [0,2,0,0,0,0|2,0,0]=4 2021 B11R1.24 C=CCO[C@@H]1CCO[C@H](C1)C db96b7ba39fc0375e41363c230dcabb5 [0,2,0,0,0,0|2,0,0]=4 2022 B11R1.24 C=CCO[C@H]1CCCN(C1)C d930f19e3b1bfdb1258e1b0c23662fda [0,2,0,0,0,0|2,0,0]=4 2023 B11R1.24 C=CCO[C@H]1CCC[C@@H](C1)C dd453784b69f1a694ff59a8769dbdd02 [0,2,0,0,0,0|1,0,0]=3 2024 B11R1.24 C=CCO[C@H]1CCC[C@H](C1)C 8b9dc0e52aec8fc2f1ea300810835c36 [0,2,0,0,0,0|1,0,0]=3 2025 B11R1.24 C=CCO[C@H]1CCO[C@@H](C1)C 38d8914c7b86b1f406f95ba3ec24f493 [0,2,0,0,0,0|2,0,0]=4 2026 B11R1.24 C=CCO[C@H]1CCO[C@H](C1)C 64312da6dbd53c40b9ef5823a0ab2817 [0,2,0,0,0,0|2,0,0]=4 2027 B11R1.24 CC1=CC(CCC1)OCC=O b429916537614646cba93649313085ca [0,2,0,0,0,0|0,0,2]=4 2028 B11R1.24 CC1CC(CCO1)NCC=O ec358d2be752de3043fab61c4fc4621a [0,2,0,0,0,0|2,0,0]=4 2029 B11R1.24 CC1CC(CCO1)OCC=O 32c60a488bb00fa7f466d18e35e0074e [0,2,0,0,0,0|1,0,0]=3 2030 B11R1.24 CC1CCCC(C1)CNC=O 3d3ee1d2d9fabea1bce8ec4b77578c2d [0,2,0,0,0,0|1,0,0]=3 2031 B11R1.24 CC1CCCC(C1)COCF a44fa7942d633efbb1ace4e242bd0f68 [0,2,0,0,0,0|1,0,1]=4 2032 B11R1.24 CC1CCCC(C1)NCC=O fc93fe072129d573be6da01b94884ce0 [0,2,0,0,0,0|1,0,0]=3 2033 B11R1.24 CC1CCCC(C1)OCC#N 286afe6aef0342a0b8cbe4c1c0bf168c [0,2,0,0,0,0|1,0,1]=4 2034 B11R1.24 CC1CCCC(C1)OCC=O 2a96116c70bb59516d29ac6eeada7462 [0,2,0,0,0,0|0,0,0]=2 2035 B11R1.24 CC1CCCC(C1)OCCF 34dc8ec9e7b5680e6c337d9cecabba36 [0,2,0,0,0,0|1,0,1]=4 2036 B11R1.24 CC1CCCC(C1)OCCS b73b708ea9daec77ee15353be5a399f5 [0,2,0,0,0,0|0,1,1]=4 2037 B11R1.24 CC1CCCN(C1)CCC=O 8afb16a6271d90dc204c932be8231b4d [0,2,0,0,0,0|2,0,0]=4 2038 B11R1.24 CCCOC1CCCC(C1)C 51405fdb3ff3cc2adf7c96653b9e85c4 [0,2,0,0,0,0|1,0,1]=4 2039 B11R1.24 CCCO[C@@H]1CCC[C@@H](C1)C 6ab0223803e6a8aacec5c5bacc8264c3 [0,2,0,0,0,0|1,0,1]=4 2040 B11R1.24 CCCO[C@H]1CCC[C@@H](C1)C 6ac94074d08177dad0794af8039ca22e [0,2,0,0,0,0|1,0,1]=4 2041 B11R1.24 CCCO[C@H]1CCC[C@H](C1)C a9a57dcfebcc6debd037c1cce2e8fd54 [0,2,0,0,0,0|1,0,1]=4 2042 B11R1.24 CCOCC1CCCC(C1)C 1b1d1f21e9bb615a91aa888f67e7d832 [0,2,0,0,0,0|1,0,1]=4 2043 B11R1.24 CN1CCCC(C1)CNC=O a26385d9af6118361fc1b86d86ef7246 [0,2,0,0,0,0|2,0,0]=4 2044 B11R1.24 CN1CCCC(C1)NCC=O e078626c289224ed7dc2da054a5eafc5 [0,2,0,0,0,0|2,0,0]=4 2045 B11R1.24 CN1CCCC(C1)OCC=O d830f4650a8d7c520c3669c5bb8798dd [0,2,0,0,0,0|1,0,0]=3 2046 B11R1.24 CN1CCC[C@@H](C1)CNC=O 0f4caff431f34409dc898a8399366b9d [0,2,0,0,0,0|2,0,0]=4 2047 B11R1.24 CN1CCC[C@@H](C1)NCC=O 8e56e48f01269c113b2195efff72a78c [0,2,0,0,0,0|2,0,0]=4 2048 B11R1.24 CN1CCC[C@@H](C1)OCC=O 92717a6528a118e9ccf35d58fdf0bd48 [0,2,0,0,0,0|1,0,0]=3 2049 B11R1.24 CN1CCC[C@H](C1)CNC=O 2a40d52fd9eb775e38516a5876d8567b [0,2,0,0,0,0|2,0,0]=4 2050 B11R1.24 CN1CCC[C@H](C1)NCC=O 5d196959c2e73270b6d417350dc1c8cd [0,2,0,0,0,0|2,0,0]=4 2051 B11R1.24 CN1CCC[C@H](C1)OCC=O 5606aaebc1a363a02230a7be50e67793 [0,2,0,0,0,0|1,0,0]=3 2052 B11R1.24 COCOC1CCCC(C1)C e99ecad30ef89f93b298fb272e3d29af [0,2,0,0,0,0|0,0,2]=4 2053 B11R1.24 COCO[C@@H]1CCC[C@@H](C1)C 23117f2ee0fd41bc40b5f1d8ca4da895 [0,2,0,0,0,0|0,0,2]=4 2054 B11R1.24 COCO[C@H]1CCC[C@@H](C1)C b798f9eec577e4b7e9c9be7771c96892 [0,2,0,0,0,0|0,0,2]=4 2055 B11R1.24 COCO[C@H]1CCC[C@H](C1)C 2a1195e71d7ff1409a4a6fce008b83cb [0,2,0,0,0,0|0,0,2]=4 2056 B11R1.24 CSCOC1CCCC(C1)C 95e224fa882ebc32a4d8230616995fb4 [0,2,0,0,0,0|0,1,1]=4 2057 B11R1.24 CSCO[C@@H]1CCC[C@@H](C1)C 8664cf1d84dfe36ae785090fe122a220 [0,2,0,0,0,0|0,1,1]=4 2058 B11R1.24 CSCO[C@H]1CCC[C@@H](C1)C f75fa12fded282e9c870eb751eed1e50 [0,2,0,0,0,0|0,1,1]=4 2059 B11R1.24 CSCO[C@H]1CCC[C@H](C1)C 120ab20889f1a1ad3945a510297d7354 [0,2,0,0,0,0|0,1,1]=4 2060 B11R1.24 C[C@@H]1CCCN(C1)CCC=O a2f96e519ae8866a3db79e62dc9e94f7 [0,2,0,0,0,0|2,0,0]=4 2061 B11R1.24 C[C@@H]1CCC[C@@H](C1)OCC#N 4565de61b331add1db7d9203b938935d [0,2,0,0,0,0|1,0,1]=4 2062 B11R1.24 C[C@@H]1CCC[C@@H](C1)OCC=O ed8cb49c316c812a2eff11953a9c60ff [0,2,0,0,0,0|0,0,0]=2 2063 B11R1.24 C[C@@H]1CCC[C@@H](C1)OCCF f6cbd4c084efb91702d18b89fe430660 [0,2,0,0,0,0|1,0,1]=4 2064 B11R1.24 C[C@@H]1CCC[C@@H](C1)OCCS 5177be2b454c47f1b61f4b12470943dd [0,2,0,0,0,0|0,1,1]=4 2065 B11R1.24 C[C@@H]1CCC[C@H](C1)NCC=O 4c7d8482f7e069b225618d623d932add [0,2,0,0,0,0|1,0,0]=3 2066 B11R1.24 C[C@@H]1C[C@@H](CCO1)NCC=O 7529596d0683cb380642becb1bd08f09 [0,2,0,0,0,0|2,0,0]=4 2067 B11R1.24 C[C@@H]1C[C@@H](CCO1)OCC=O adac3d9b78077206344447bb9fc70d83 [0,2,0,0,0,0|1,0,0]=3 2068 B11R1.24 C[C@@H]1C[C@H](CCO1)NCC=O 7d5b44e3485532d6aac2782fd0114b19 [0,2,0,0,0,0|2,0,0]=4 2069 B11R1.24 C[C@@H]1C[C@H](CCO1)OCC=O d9e10a889e3c2e360babccd0f41d880a [0,2,0,0,0,0|1,0,0]=3 2070 B11R1.24 C[C@H]1CCCN(C1)CCC=O 0a642c8a343784f6953dd14469f48add [0,2,0,0,0,0|2,0,0]=4 2071 B11R1.24 C[C@H]1CCC[C@@H](C1)OCC#N 96c4ba6edbf4fac43428e9954102ac2a [0,2,0,0,0,0|1,0,1]=4 2072 B11R1.24 C[C@H]1CCC[C@@H](C1)OCC=O f016619862a2675c02c40c712bcdf92a [0,2,0,0,0,0|0,0,0]=2 2073 B11R1.24 C[C@H]1CCC[C@@H](C1)OCCF 7cb2f11d7a8c495f3414341611661be3 [0,2,0,0,0,0|1,0,1]=4 2074 B11R1.24 C[C@H]1CCC[C@@H](C1)OCCS a384c2206a18515c37b01ac8ef0c9a0d [0,2,0,0,0,0|0,1,1]=4 2075 B11R1.24 C[C@H]1CCC[C@H](C1)OCC#N 50fdc497ad96ea02e95ee0b075e8242c [0,2,0,0,0,0|1,0,1]=4 2076 B11R1.24 C[C@H]1CCC[C@H](C1)OCC=O ae1b29bcce36512aa6d08ccc0482bd2a [0,2,0,0,0,0|0,0,0]=2 2077 B11R1.24 C[C@H]1CCC[C@H](C1)OCCF 61a02d11d288aa3dd2f2a493e65d9567 [0,2,0,0,0,0|1,0,1]=4 2078 B11R1.24 C[C@H]1CCC[C@H](C1)OCCS 3f7648b2ed5dadea24b4de53bd369844 [0,2,0,0,0,0|0,1,1]=4 2079 B11R1.24 C[C@H]1C[C@@H](CCO1)NCC=O 01feac3f3f5476e6e00c5c3d449d24f7 [0,2,0,0,0,0|2,0,0]=4 2080 B11R1.24 C[C@H]1C[C@@H](CCO1)OCC=O 146eb2140e6056b65a13d4d5d5e978f6 [0,2,0,0,0,0|1,0,0]=3 2081 B11R1.24 C[C@H]1C[C@H](CCO1)NCC=O 17bb340a9824326bf1b95982abf81cd3 [0,2,0,0,0,0|2,0,0]=4 2082 B11R1.24 C[C@H]1C[C@H](CCO1)OCC=O a5695743ca936634706c28eb040956f8 [0,2,0,0,0,0|1,0,0]=3 2083 B11R1.24 O=CCCN1CCCC(C1)F ba66a7eaf317f5d2c6e732931080d606 [0,2,0,0,0,0|2,0,0]=4 2084 B11R1.24 O=CCCN1CCCC(C1)O f06f99371b9ff90247273bd590fc063a [0,2,0,0,0,0|2,0,0]=4 2085 B11R1.24 O=CCCN1CCC[C@@H](C1)F c5c5f6f99b2c6968665ab899b800927f [0,2,0,0,0,0|2,0,0]=4 2086 B11R1.24 O=CCCN1CCC[C@@H](C1)O e2f59738b056e52c86350d48a0464a8f [0,2,0,0,0,0|2,0,0]=4 2087 B11R1.24 O=CCCN1CCC[C@H](C1)F 8361c0884152754ef5718ce3b8a7f18f [0,2,0,0,0,0|2,0,0]=4 2088 B11R1.24 O=CCCN1CCC[C@H](C1)O ca1de2fee8200e3038708c6bd642d889 [0,2,0,0,0,0|2,0,0]=4 2089 B11R1.24 O=CCNC1CCCC(C1)O c464fc05ec1d755054851c32bfe65f6c [0,2,0,0,0,0|1,0,0]=3 2090 B11R1.24 O=CCNC1COCC(C1)O bf3458e0cd609ac5d8481a3840d065b5 [0,2,0,0,0,0|2,0,0]=4 2091 B11R1.24 O=CCN[C@@H]1CCC[C@@H](C1)O e9fd0ae6c899060dcc3b1df490133d38 [0,2,0,0,0,0|1,0,0]=3 2092 B11R1.24 O=CCN[C@@H]1CCC[C@H](C1)O fe85bc555e6ca25ea1a1e30026910f60 [0,2,0,0,0,0|1,0,0]=3 2093 B11R1.24 O=CCN[C@@H]1COC[C@@H](C1)O 74d1d543e3d3c8b7c3f36b77fabbca56 [0,2,0,0,0,0|2,0,0]=4 2094 B11R1.24 O=CCN[C@H]1CCC[C@@H](C1)O c2e4330acbf51edb41a0288c21f1b951 [0,2,0,0,0,0|1,0,0]=3 2095 B11R1.24 O=CCN[C@H]1CCC[C@H](C1)O fa5a72fb9440b3c5a8e5ea2fc2a415cb [0,2,0,0,0,0|1,0,0]=3 2096 B11R1.24 O=CCN[C@H]1COC[C@H](C1)O 5c9765e3bc77f74879831397f488b2fd [0,2,0,0,0,0|2,0,0]=4 2097 B11R1.24 O=CCOC1CCCC(=O)C1 f1d2042f864d3157e7f9da5b8939dab3 [0,2,0,0,0,0|0,0,1]=3 2098 B11R1.24 O=CCOC1CCNC(=O)C1 89a459e838ae001d49dda01a9b469ca8 [0,2,0,0,0,0|1,0,1]=4 2099 B11R1.24 O=CCO[C@@H]1CCNC(=O)C1 ec7fc5a019dec1d2f144027a5854b71c [0,2,0,0,0,0|1,0,1]=4 2100 B11R1.24 O=CCO[C@H]1CCNC(=O)C1 4906956fa8a688351563428434aebdd1 [0,2,0,0,0,0|1,0,1]=4 2101 B11R1.24 O=CNCC1CCCC(C1)O 5f5554bfd63bf0d29e59d215b7c1d0a0 [0,2,0,0,0,0|1,0,0]=3 2102 B11R1.24 O=CNC[C@H]1CCC[C@H](C1)O 6a92cf133d427f7f5406aa4d6bf0b406 [0,2,0,0,0,0|1,0,0]=3 2103 B11R1.34 CC1CC(CC(C1)OCF)C dac18d5501689caa146bd913ee92f677 [0,2,0,0,0,0|1,0,1]=4 2104 B11R1.34 CC1CC(CN(C1)CC=O)C bf0fcaf7109c745066f344f532fed2bf [0,2,0,0,0,0|2,0,0]=4 2105 B11R1.34 CCOC1CC(CC(C1)C)C bbf851b4ec944197fe00764cb00b56fb [0,2,0,0,0,0|1,0,1]=4 2106 B11R1.34 CCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 34269a398ccc6c4113d11e785891e7b2 [0,2,0,0,0,0|1,0,1]=4 2107 B11R1.34 C[C@@H]1CC(C[C@@H](O1)C)NC=O c1fdb29b423d26adc4edc67e3f3bf082 [0,2,0,0,0,0|2,0,0]=4 2108 B11R1.34 C[C@@H]1C[C@@H](CN(C1)CC=O)C 69ca85759cd3908ffc1256af1f4102fd [0,2,0,0,0,0|2,0,0]=4 2109 B11R1.34 C[C@@H]1C[C@@H](C[C@@H](C1)OCF)C e1bb215a038a753b4327d2d0a514afe6 [0,2,0,0,0,0|1,0,1]=4 2110 B11R1.34 C[C@@H]1C[C@@H](C[C@@H](O1)C)NC=O 008281ae445443ad042b6346f466b7ae [0,2,0,0,0,0|2,0,0]=4 2111 B11R1.34 C[C@@H]1C[C@H](C[C@@H](O1)C)NC=O 3b629f6ded500657e5341ced954f80dd [0,2,0,0,0,0|2,0,0]=4 2112 B11R1.34 O=CCN1CC(CC(C1)O)O 7c0c6a79b36ce3e55db2ccacc116e669 [0,2,0,0,0,0|2,0,0]=4 2113 B11R1.34 O=CCN1C[C@@H](C[C@@H](C1)O)O b8be2d2fe290284eeaa302ed03992e86 [0,2,0,0,0,0|2,0,0]=4 2114 B11R1.34 O=CCN1C[C@@H](C[C@H](C1)O)O 60dd22e3d90a1d933de1884a289ada10 [0,2,0,0,0,0|2,0,0]=4 2115 B11R1.34 O=CCN1C[C@H](C[C@@H](C1)O)O c82817035f9ec7cd505540e02cd64c6d [0,2,0,0,0,0|2,0,0]=4 2116 B11R1.157 CC(=O)NC1CCCC(C1)C 2210d24c85aacb9ca5ad7d0be5468509 [0,2,0,0,0,0|1,0,0]=3 2117 B11R1.157 CC(=O)NC1CCCC(C1)O 967c8e42f6277b130f66885e6b186eb9 [0,2,0,0,0,0|1,0,0]=3 2118 B11R1.157 CC(=O)NC1CCCN(C1)C 34d6a502a6adfde883aef908a2ef9edd [0,2,0,0,0,0|2,0,0]=4 2119 B11R1.157 CC(=O)NC1CCOC(C1)C 0099ccc8c17d071fd81ba5664844dee7 [0,2,0,0,0,0|2,0,0]=4 2120 B11R1.157 CC(=O)NC1COCC(C1)O 450e97f086c76d616b7a0471a6126f5c [0,2,0,0,0,0|2,0,0]=4 2121 B11R1.157 CC(=O)N[C@@H]1CCCN(C1)C c757489c05f54677c333d5d1a5094257 [0,2,0,0,0,0|2,0,0]=4 2122 B11R1.157 CC(=O)N[C@@H]1CCC[C@@H](C1)O 036cedc2973fe4851309407026c34750 [0,2,0,0,0,0|1,0,0]=3 2123 B11R1.157 CC(=O)N[C@@H]1CCC[C@H](C1)C 71f4655f46cf4d4862a6cce1470e6ac9 [0,2,0,0,0,0|1,0,0]=3 2124 B11R1.157 CC(=O)N[C@@H]1CCC[C@H](C1)O 133d6afedfa5f62b0664ee93a2cd1962 [0,2,0,0,0,0|1,0,0]=3 2125 B11R1.157 CC(=O)N[C@@H]1CCO[C@@H](C1)C 522cc936fcd44ff7fe6fb47e9d0d3554 [0,2,0,0,0,0|2,0,0]=4 2126 B11R1.157 CC(=O)N[C@@H]1CCO[C@H](C1)C d0134359fa0892a6ae31761566406572 [0,2,0,0,0,0|2,0,0]=4 2127 B11R1.157 CC(=O)N[C@@H]1COC[C@@H](C1)O 9576af4f68e1052c36d3fccdc069b7a7 [0,2,0,0,0,0|2,0,0]=4 2128 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 7e2c23441263993d81fce59ecbac3164 [0,2,0,0,0,0|2,0,0]=4 2129 B11R1.157 CC(=O)N[C@H]1CCC[C@@H](C1)O 292207cd518c12ebcc52dfe886a419f2 [0,2,0,0,0,0|1,0,0]=3 2130 B11R1.157 CC(=O)N[C@H]1CCC[C@H](C1)O 39171aab208d3c96c4e74e0e531fdbfd [0,2,0,0,0,0|1,0,0]=3 2131 B11R1.157 CC(=O)N[C@H]1CCO[C@@H](C1)C 1282e3b2a5bbe38d539f7f9cb6e56cf1 [0,2,0,0,0,0|2,0,0]=4 2132 B11R1.157 CC(=O)N[C@H]1CCO[C@H](C1)C 86b839821b0a6c40bd50bead6fe2f529 [0,2,0,0,0,0|2,0,0]=4 2133 B11R1.157 CC(=O)N[C@H]1COC[C@H](C1)O 811ce9d28471271aa4f23efe35a4c507 [0,2,0,0,0,0|2,0,0]=4 2134 B11R1.157 CC(C)O[C@@H]1CCC[C@@H](C1)C 0a9915751c340c2589fb43def7e5038d [0,2,0,0,0,0|1,0,1]=4 2135 B11R1.157 CC(C)O[C@H]1CCC[C@@H](C1)C 60681334e4b6c5cf81b6d113046ef928 [0,2,0,0,0,0|1,0,1]=4 2136 B11R1.157 CC(C)O[C@H]1CCC[C@H](C1)C a2cf43a3be52c908712819425810f9c4 [0,2,0,0,0,0|1,0,1]=4 2137 B11R1.157 CC1CCCC(C1)OC(C)C c568b195209cb452caeb1f4cd28f5d68 [0,2,0,0,0,0|1,0,1]=4 2138 B11R1.157 CC1CCCN(C1)CC(=O)N e447a44f6aaeb356f7e500f1b96df590 [0,2,0,0,0,0|2,0,0]=4 2139 B11R1.157 CC1CCCN(C1)CC(=O)O d4ebd15284a303f50f85ba6b4d90a793 [0,2,0,0,0,0|2,0,0]=4 2140 B11R1.157 C[C@@H]1CCCN(C1)CC(=O)N 4a45d3fffe869f1cabc2186339f1e6d2 [0,2,0,0,0,0|2,0,0]=4 2141 B11R1.157 C[C@@H]1CCCN(C1)CC(=O)O 870d6379068dbf78f34bb30d36be26d2 [0,2,0,0,0,0|2,0,0]=4 2142 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N de0fec5a29957430feafb98f70a91f3e [0,2,0,0,0,0|2,0,0]=4 2143 B11R1.157 C[C@H]1CCCN(C1)CC(=O)O 4c02b5b686cf18ffb51df551db136b7c [0,2,0,0,0,0|2,0,0]=4 2144 B11R1.157 NC(=O)CN1CCCC(C1)F a64e2093ad33b20ea743ef75c6268a3d [0,2,0,0,0,0|2,0,0]=4 2145 B11R1.157 NC(=O)CN1CCCC(C1)O acc855203aefeda057ab4a47394a6bf3 [0,2,0,0,0,0|2,0,0]=4 2146 B11R1.157 NC(=O)CN1CCC[C@@H](C1)F 2fe487edf025d77170015478a1a75de6 [0,2,0,0,0,0|2,0,0]=4 2147 B11R1.157 NC(=O)CN1CCC[C@@H](C1)O 513ee4c8af75b8631e89a459ac0a3825 [0,2,0,0,0,0|2,0,0]=4 2148 B11R1.157 NC(=O)CN1CCC[C@H](C1)F e80930800a50f0c397adab879df68a21 [0,2,0,0,0,0|2,0,0]=4 2149 B11R1.157 NC(=O)CN1CCC[C@H](C1)O b36c5a0be2a8d61533a7487e4ecd806c [0,2,0,0,0,0|2,0,0]=4 2150 B11R1.157 O=C(O)CN1CCCC(C1)F df26d481d723ae859133b1dd45263f8b [0,2,0,0,0,0|2,0,0]=4 2151 B11R1.157 O=C(O)CN1CCCC(C1)O 8a9081ae81f569ea0a4f01bce3eedfa1 [0,2,0,0,0,0|2,0,0]=4 2152 B11R1.157 O=C(O)CN1CCC[C@@H](C1)F 3877c0bc29adfde3b5f9efc3b6d550a4 [0,2,0,0,0,0|2,0,0]=4 2153 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O ff18856f3d9fccfbb76f3f7e4a4cf5e0 [0,2,0,0,0,0|2,0,0]=4 2154 B11R1.157 O=C(O)CN1CCC[C@H](C1)F af0bc4e19c0db595d39589bdbc4a3cc0 [0,2,0,0,0,0|2,0,0]=4 2155 B11R1.157 O=C(O)CN1CCC[C@H](C1)O 50428b9f90feb50aec1d3ab69a75f460 [0,2,0,0,0,0|2,0,0]=4 2156 B11R1.189 C#CC1CCCN(C1)CC=O f70e037ae04cdf95a6ceeb756a1c1a9b [0,2,0,0,0,0|2,0,0]=4 2157 B11R1.189 CCC1CCCC(C1)OCF 9951a665f139e4cb095359c47cc7fc0b [0,2,0,0,0,0|1,0,1]=4 2158 B11R1.189 CCC1CCCN(C1)CC=O 4a965df2327709444c922546c0f26d17 [0,2,0,0,0,0|2,0,0]=4 2159 B11R1.189 CCN1CCCC(C1)NC=O 0eec3e05325c461ff75bf1406b512c71 [0,2,0,0,0,0|2,0,0]=4 2160 B11R1.189 CCN1CCC[C@@H](C1)NC=O d4ac8f8850b881c02b0df0e30023a06e [0,2,0,0,0,0|2,0,0]=4 2161 B11R1.189 CCN1CCC[C@H](C1)NC=O 14430991bcfcd353db672b1f2561c9c0 [0,2,0,0,0,0|2,0,0]=4 2162 B11R1.189 CCOC1CCCC(C1)CC 55257b44f758d6bf148c225672dde9b1 [0,2,0,0,0,0|1,0,1]=4 2163 B11R1.189 CCOC1CCCC(C1)OC adb714c0ecde599868a8e191ade0ab93 [0,2,0,0,0,0|1,0,1]=4 2164 B11R1.189 CCO[C@H]1CCC[C@@H](C1)OC 5032c38ff172859a7c32023bb3bc9ecd [0,2,0,0,0,0|1,0,1]=4 2165 B11R1.189 CCO[C@H]1CCC[C@H](C1)OC 30fdb955643fecc5fc952797b799aa80 [0,2,0,0,0,0|1,0,1]=4 2166 B11R1.189 COC1CCCC(C1)NC=O 47c748bad02e83d5d9b104c446ff5600 [0,2,0,0,0,0|1,0,0]=3 2167 B11R1.189 COC1CCCC(C1)OCF 4193df7d5d99359dccc3295242d8d2cb [0,2,0,0,0,0|1,0,1]=4 2168 B11R1.189 COC1CCCN(C1)CC=O 07994b5cf09562c768567f66a370f5af [0,2,0,0,0,0|2,0,0]=4 2169 B11R1.189 CO[C@@H]1CCCN(C1)CC=O a5876aa6a3515addb373ea7aff471a67 [0,2,0,0,0,0|2,0,0]=4 2170 B11R1.189 CO[C@@H]1CCC[C@@H](C1)NC=O 2a5d0bcb1187db194d5da84445e452bb [0,2,0,0,0,0|1,0,0]=3 2171 B11R1.189 CO[C@@H]1CCC[C@@H](C1)OCF b3790a69c647ee7f174feec50d422d78 [0,2,0,0,0,0|1,0,1]=4 2172 B11R1.189 CO[C@@H]1CCC[C@H](C1)NC=O cb570de7cc0fcfc3aeb86731d3e6bdbe [0,2,0,0,0,0|1,0,0]=3 2173 B11R1.189 CO[C@@H]1COC[C@@H](C1)NC=O e9355c56d776aad2cac5d3535544396e [0,2,0,0,0,0|2,0,0]=4 2174 B11R1.189 CO[C@H]1CCCN(C1)CC=O 5ab42f62c2e7ef75e2df7ca2230416b7 [0,2,0,0,0,0|2,0,0]=4 2175 B11R1.189 CO[C@H]1CCC[C@@H](C1)NC=O a4065a4fcdb5dbcb33ac3bef4f85121e [0,2,0,0,0,0|1,0,0]=3 2176 B11R1.189 CO[C@H]1CCC[C@@H](C1)OCF 8ebb225851758c5601d86b5f69d13c3a [0,2,0,0,0,0|1,0,1]=4 2177 B11R1.189 CO[C@H]1CCC[C@H](C1)NC=O 188f6c8c67f17fb9e104cf3b7b8a8631 [0,2,0,0,0,0|1,0,0]=3 2178 B11R1.189 CO[C@H]1COC[C@H](C1)NC=O b6d88a487dfe16162fbde1ac046b36b4 [0,2,0,0,0,0|2,0,0]=4 2179 B11R1.189 N#CC1CCCN(C1)CC=O bffd23d0f3aec71dcf3de34441abc6e1 [0,2,0,0,0,0|2,0,0]=4 2180 B11R1.189 N#C[C@@H]1CCCN(C1)CC=O b1161c149f2f07a485595c9f514a07da [0,2,0,0,0,0|2,0,0]=4 2181 B11R1.189 O=CCN1CCCC(C1)CO b172b3d80cc784108b6f9e531cc232dd [0,2,0,0,0,0|2,0,0]=4 2182 B11R1.189 O=CCN1CCC[C@@H](C1)CO efb017b80983b11fdd50e45be1748109 [0,2,0,0,0,0|2,0,0]=4 2183 B11R1.189 O=CCN1CCC[C@H](C1)CO 5eac611cfd5e7712cb2eae996a965fbf [0,2,0,0,0,0|2,0,0]=4 2184 B11R1.189 O=CNC1CCCC(C1)CO 30e909293bfa9aedb727b30a428870a7 [0,2,0,0,0,0|1,0,0]=3 2185 B11R1.189 O=CN[C@@H]1CCC[C@@H](C1)CO f707c2ef16fe66b4c404e986095f226a [0,2,0,0,0,0|1,0,0]=3 2186 B11R1.189 O=CN[C@@H]1CCC[C@H](C1)CO 85e7a59de23306fcec63c97ccfc73d74 [0,2,0,0,0,0|1,0,0]=3 2187 B11R1.189 O=CN[C@H]1CCC[C@@H](C1)CO a3c1bbd73ce7bd064b70f7e3827479f7 [0,2,0,0,0,0|1,0,0]=3 2188 B11R1.189 O=CN[C@H]1CCC[C@H](C1)CO 723326bfdc789206e284106d5fe07dd8 [0,2,0,0,0,0|1,0,0]=3 2189 B11R1.342 CC1(CC(CCO1)NC=O)C ca79ce91362e676195b61552401d53ca [0,2,0,0,0,0|2,0,0]=4 2190 B11R1.342 CC1(CCCC(C1)NC=O)C f62fb684d3acfa7384dd15d1d4ab4eae [0,2,0,0,0,0|1,0,0]=3 2191 B11R1.342 CC1(CCCC(C1)NC=O)O 44d3db4bc179bc7fb92b782ab3a1c6d2 [0,2,0,0,0,0|1,0,0]=3 2192 B11R1.342 CC1(CCCC(C1)OCF)C 11289b807a5d8f31d93a28264070a651 [0,2,0,0,0,0|1,0,1]=4 2193 B11R1.342 CC1(CCCN(C1)CC=O)C db0096f3a5c58d6161d968dcbc0017ef [0,2,0,0,0,0|2,0,0]=4 2194 B11R1.342 CC1(CCCN(C1)CC=O)O d322962a42f34d99c0458165e31dd31f [0,2,0,0,0,0|2,0,0]=4 2195 B11R1.342 CC1(CCC[C@@H](C1)NC=O)C 8d065fd35d5048328ad496addcb8a9fe [0,2,0,0,0,0|1,0,0]=3 2196 B11R1.342 CC1(CCC[C@H](C1)NC=O)C 762cac641c58fa5f04864151c0c1c95b [0,2,0,0,0,0|1,0,0]=3 2197 B11R1.342 CC1(C[C@@H](CCO1)NC=O)C cbf3639e71ba06b88aa5e866f97d9ccf [0,2,0,0,0,0|2,0,0]=4 2198 B11R1.342 CC1(C[C@H](CCO1)NC=O)C b36d86f506830db9085d3eb73f54d21b [0,2,0,0,0,0|2,0,0]=4 2199 B11R1.342 C[C@@]1(CCCN(C1)CC=O)O 80f5a590b5829bc7901f4607fca0ca87 [0,2,0,0,0,0|2,0,0]=4 2200 B11R1.342 C[C@@]1(CCC[C@H](C1)NC=O)O c8f25c4ab4fcacaf236114f5f16613a7 [0,2,0,0,0,0|1,0,0]=3 2201 B11R1.342 C[C@]1(CCCN(C1)CC=O)O 763a3ed06de200c65f84a3c8981e889e [0,2,0,0,0,0|2,0,0]=4 2202 B11R1.342 C[C@]1(CCC[C@H](C1)NC=O)O a8faee2ac19fc260b1c658750e2cfa44 [0,2,0,0,0,0|1,0,0]=3 2203 B11R1.342 O=CCN1CCCC(C1)(F)F 59bb7b5c04f6f406aeae3ef335811a64 [0,2,0,0,0,0|2,0,0]=4 2204 B11R1.342 O=CNC1CCCC(C1)(F)F e397673c05719f1ce3da085159d86e00 [0,2,0,0,0,0|1,0,0]=3 2205 B11R1.342 O=CNC1CCCS(=O)(=O)C1 f9bef1729c924e3778519c266e88ee72 [0,2,0,0,0,0|2,0,0]=4 2206 B11R1.342 O=CN[C@@H]1CCCS(=O)(=O)C1 fceb728e82d9fff9f2c17930ff94a93d [0,2,0,0,0,0|2,0,0]=4 2207 B11R1.342 O=CN[C@H]1CCCS(=O)(=O)C1 9b43a4046ceeccd78bf8982a5e77ef47 [0,2,0,0,0,0|2,0,0]=4 2208 B11R1.1251 CN1CCCC(C1)(C)NC=O 43dd87d7f299aac80c0cd366902eb7ab [0,2,0,0,0,0|2,0,0]=4 2209 B11R1.12 CCN(C=O)C1CCCCC1 1ee5de847883d8933ae03870009cfa65 [0,2,0,0,0,0|1,0,0]=3 2210 B11R1.12 CCN(C=O)C1CCOCC1 ac2af89c711e6e453a66021f4bb428df [0,2,0,0,0,0|2,0,0]=4 2211 B11R1.16 C=CCN(C)C1CCCCC1 bb4edfc500f944468a5d19c901ffb288 [0,2,0,0,0,0|2,0,0]=4 2212 B11R1.16 CC(NC=O)C1CCCCC1 5b0bed71e7b40559a80568632a082bd7 [0,2,0,0,0,0|1,0,0]=3 2213 B11R1.16 CC(NC=O)C1CCOCC1 c4bc390703a9b3c0fb1ba8532025a237 [0,2,0,0,0,0|2,0,0]=4 2214 B11R1.16 CC(OCF)C1CCCCC1 47957089bcc44d4f79f7d3a1b4076ad4 [0,2,0,0,0,0|1,0,1]=4 2215 B11R1.16 CCOC(C)C1CCCCC1 37be17fa0db3d275abb0f9a6c52c9161 [0,2,0,0,0,0|1,0,1]=4 2216 B11R1.16 CCO[C@@H](C)C1CCCCC1 df439a6e4e17aa6ad53b1ef6ed12fa04 [0,2,0,0,0,0|1,0,1]=4 2217 B11R1.16 CCO[C@H](C)C1CCCCC1 cf6c9a4c5bb690790b693154b5b07a7d [0,2,0,0,0,0|1,0,1]=4 2218 B11R1.16 CN(CC=O)C1CCCCC1 ca17f137ff3c935349c764fa597cdad5 [0,2,0,0,0,0|1,0,0]=3 2219 B11R1.16 CN(CC=O)C1CCCOC1 d2ba8fb97b16bdcd1135c25e760eb575 [0,2,0,0,0,0|2,0,0]=4 2220 B11R1.16 CN(CC=O)C1CCOCC1 25e70df20baedd41f03f2ac19f82e037 [0,2,0,0,0,0|2,0,0]=4 2221 B11R1.16 CN(CC=O)C1CCSCC1 59a3fb091fb06e34f29a1b410fe3099d [0,2,0,0,0,0|2,0,0]=4 2222 B11R1.16 C[C@@H](NC=O)C1CCCCC1 482674891e147b5cd22611a9cd5e80fa [0,2,0,0,0,0|1,0,0]=3 2223 B11R1.16 C[C@@H](NC=O)C1CCOCC1 ce29ede7cb53b1b85d455400698e9f47 [0,2,0,0,0,0|2,0,0]=4 2224 B11R1.16 C[C@@H](OCF)C1CCCCC1 059cf7d23dd4dac3c616f1a6be76f2d6 [0,2,0,0,0,0|1,0,1]=4 2225 B11R1.16 C[C@H](NC=O)C1CCCCC1 27b06f20cea81f01d1c9c49883358bf2 [0,2,0,0,0,0|1,0,0]=3 2226 B11R1.16 C[C@H](NC=O)C1CCOCC1 2f0d28a64fa3bfa0a511cb6d38ea0c09 [0,2,0,0,0,0|2,0,0]=4 2227 B11R1.16 C[C@H](OCF)C1CCCCC1 e071df90a9ce7beb69a8a72aa6f64c06 [0,2,0,0,0,0|1,0,1]=4 2228 B11R1.36 CC(=O)N(C)C1CCCCC1 ee6341c0949dc3b0f1e73cdf394e155f [0,2,0,0,0,0|1,0,0]=3 2229 B11R1.36 CC(=O)N(C)C1CCCOC1 52e63e3a8032dcc401e8d65b641fc6cb [0,2,0,0,0,0|2,0,0]=4 2230 B11R1.36 CC(=O)N(C)C1CCOCC1 e548f3f1a7cbbd85fda416e97231c99e [0,2,0,0,0,0|2,0,0]=4 2231 B11R1.28 C#CCCOC1CCCCC1 153341cda14ca92ac12529fe8245b096 [0,2,0,0,0,0|1,0,1]=4 2232 B11R1.28 C#CCOCC1CCCCC1 e15197b6916af09d1cd4ddeb1d9e11f8 [0,2,0,0,0,0|1,0,1]=4 2233 B11R1.28 C/C=C/COC1CCCCC1 929ecd73692c9696febdbd59282ef2b3 [0,2,0,0,0,0|1,0,0]=3 2234 B11R1.28 C/C=C/COC1CCCCO1 bbe35b3854027d1c26bfb013dbaefa8c [0,2,0,0,0,0|2,0,0]=4 2235 B11R1.28 C/C=C/COC1CCCOC1 0272c2e15a562ed4475329613f41b058 [0,2,0,0,0,0|2,0,0]=4 2236 B11R1.28 C/C=C/COC1CCCSC1 e63b070e43887ab1bae34c9dcd77b2cd [0,2,0,0,0,0|2,0,0]=4 2237 B11R1.28 C/C=C/COC1CCOCC1 e87194828c4ffa5a652b0de1501ef48c [0,2,0,0,0,0|2,0,0]=4 2238 B11R1.28 C/C=C/COC1CCSCC1 f53377ae9807ee7d8e6478f367fa13b3 [0,2,0,0,0,0|2,0,0]=4 2239 B11R1.28 C/C=C/CO[C@@H]1CCCOC1 03bd2f02b81499e64ae096caf8cdf898 [0,2,0,0,0,0|2,0,0]=4 2240 B11R1.28 C/C=C/CO[C@H]1CCCOC1 5b3fae202d46db0b2609376c0d83534c [0,2,0,0,0,0|2,0,0]=4 2241 B11R1.28 C/C=C\COC1CCCCC1 3707de72c593da9001217120b8b4a78b [0,2,0,0,0,0|1,0,0]=3 2242 B11R1.28 C/C=C\COC1CCCCO1 2ae319e9a1c7161249cd36158acd7af6 [0,2,0,0,0,0|2,0,0]=4 2243 B11R1.28 C/C=C\COC1CCCOC1 340344556799692eb96c30595da8247c [0,2,0,0,0,0|2,0,0]=4 2244 B11R1.28 C/C=C\COC1CCCSC1 9d4f7996bc431055b6af9720380cfe22 [0,2,0,0,0,0|2,0,0]=4 2245 B11R1.28 C/C=C\COC1CCOCC1 3c4cd4bc6e18bfe3faedc4b0142a8f8b [0,2,0,0,0,0|2,0,0]=4 2246 B11R1.28 C/C=C\COC1CCSCC1 b9aabdfc099651afd1d042489ab48196 [0,2,0,0,0,0|2,0,0]=4 2247 B11R1.28 C/C=C\CO[C@@H]1CCCOC1 f23f7f57be6aee259348197ccee5cd94 [0,2,0,0,0,0|2,0,0]=4 2248 B11R1.28 C/C=C\CO[C@H]1CCCOC1 04ffe0007229ebccba43127d6dbd3a85 [0,2,0,0,0,0|2,0,0]=4 2249 B11R1.28 C=CCCNC1CCCCC1 37033c5679cab1747de8325a668ed17d [0,2,0,0,0,0|2,0,0]=4 2250 B11R1.28 C=CCCOC1CCCCC1 d3010c4986fc7af7404f06ae7395c5c7 [0,2,0,0,0,0|1,0,0]=3 2251 B11R1.28 C=CCCOC1CCCCO1 b2282d30cfbce080f4cacf855368db2a [0,2,0,0,0,0|2,0,0]=4 2252 B11R1.28 C=CCCOC1CCCOC1 89980fdf5ab12f3f201788ea83d87987 [0,2,0,0,0,0|2,0,0]=4 2253 B11R1.28 C=CCCOC1CCCSC1 5ca08241bfce4e5f6d893717c72157d0 [0,2,0,0,0,0|2,0,0]=4 2254 B11R1.28 C=CCCOC1CCOCC1 c50cc2bd60650af1a839c0772cd1cc8e [0,2,0,0,0,0|2,0,0]=4 2255 B11R1.28 C=CCCOC1CCSCC1 5f047ac366193da9f49049471dad3562 [0,2,0,0,0,0|2,0,0]=4 2256 B11R1.28 C=CCCO[C@@H]1CCCOC1 c9658a532f5baa603e0da5fe272d749f [0,2,0,0,0,0|2,0,0]=4 2257 B11R1.28 C=CCCO[C@H]1CCCOC1 4f8de2328550185b3963d73711d06d6d [0,2,0,0,0,0|2,0,0]=4 2258 B11R1.28 C=CCNCC1CCCCC1 a9f671ac3caf79c5700dd42ed181b6a3 [0,2,0,0,0,0|2,0,0]=4 2259 B11R1.28 C=CCOCC1CCCCC1 9848ef5b125783442bfb47c81d54c094 [0,2,0,0,0,0|1,0,0]=3 2260 B11R1.28 C=CCOCC1CCCCO1 88d040fd9e66bde0050106fed5f663cf [0,2,0,0,0,0|2,0,0]=4 2261 B11R1.28 C=CCOCC1CCCOC1 291655a7415d1ebb4978f77d5556fb18 [0,2,0,0,0,0|2,0,0]=4 2262 B11R1.28 C=CCOCC1CCOCC1 5c655c62affcb0edba933413d56a7736 [0,2,0,0,0,0|2,0,0]=4 2263 B11R1.28 C=CCOCC1CCSCC1 3b1646539f30571d4973742d1b0238f7 [0,2,0,0,0,0|2,0,0]=4 2264 B11R1.28 C=CCOC[C@@H]1CCCCO1 31cfe6cdcd22500441579b4c25f87a4f [0,2,0,0,0,0|2,0,0]=4 2265 B11R1.28 C=CCOC[C@@H]1CCCOC1 d4a84b0b674b962bd533891829e8f583 [0,2,0,0,0,0|2,0,0]=4 2266 B11R1.28 C=CCOC[C@H]1CCCCO1 04c85c8ac91cffa41a1d9470296e3b5a [0,2,0,0,0,0|2,0,0]=4 2267 B11R1.28 C=CCOC[C@H]1CCCOC1 eb4c6d11329795ac77affcbd3a68bfb1 [0,2,0,0,0,0|2,0,0]=4 2268 B11R1.28 CC#CCOC1CCCCC1 a9456c783b204fa3e068c84a5414e820 [0,2,0,0,0,0|1,0,1]=4 2269 B11R1.28 CC=CCNC1CCCCC1 f6e1007c626d5999ef6d3ff82d3c9604 [0,2,0,0,0,0|2,0,0]=4 2270 B11R1.28 CC=CCOC1CCCCC1 e62fb7160e45dd6841ea554e026d6df2 [0,2,0,0,0,0|1,0,0]=3 2271 B11R1.28 CC=CCOC1CCCCO1 04e0b83d70bef3a500c4a0298da11b93 [0,2,0,0,0,0|2,0,0]=4 2272 B11R1.28 CC=CCOC1CCCOC1 535f00491724ddaac26716d84dd60727 [0,2,0,0,0,0|2,0,0]=4 2273 B11R1.28 CC=CCOC1CCOCC1 62f5aa7f1a18508a5eb1ba471f12d7da [0,2,0,0,0,0|2,0,0]=4 2274 B11R1.28 CC=CCOC1CCSCC1 48cebea7821905d84e02d11a3a75a81e [0,2,0,0,0,0|2,0,0]=4 2275 B11R1.28 CCCCOC1CCCCC1 f5bd8d5f1c876320c48af2302e4c3043 [0,2,0,0,0,0|1,0,1]=4 2276 B11R1.28 CCCOCC1CCCCC1 a40e97204a11eb00ef961e0329142e58 [0,2,0,0,0,0|1,0,1]=4 2277 B11R1.28 CCOCCC1CCCCC1 41db2982246c499a6c04bf31353c607f [0,2,0,0,0,0|1,0,1]=4 2278 B11R1.28 CCOCOC1CCCCC1 bce8c02398227889de43c612ff29ff76 [0,2,0,0,0,0|0,0,2]=4 2279 B11R1.28 COCCOC1CCCCC1 89747c8b73267e9a27e120d58cc56307 [0,2,0,0,0,0|0,0,2]=4 2280 B11R1.28 COCOCC1CCCCC1 a2256e490d9ce6f557bed254cd5f15ef [0,2,0,0,0,0|0,0,2]=4 2281 B11R1.28 CSCCOC1CCCCC1 22ac0590a2acde06c0b7b58e1c97187f [0,2,0,0,0,0|0,1,1]=4 2282 B11R1.28 CSCOCC1CCCCC1 c0e507d9b0b8d0f33654353ab733b4e9 [0,2,0,0,0,0|0,1,1]=4 2283 B11R1.28 Cl/C=C/COC1CCCCC1 ce2dde6fd054413ea15f2c1454632695 [0,2,0,0,0,0|1,0,0]=3 2284 B11R1.28 Cl/C=C/COC1CCCCO1 f3afd21c1b27e76e7efe01716e9a35d7 [0,2,0,0,0,0|2,0,0]=4 2285 B11R1.28 Cl/C=C/COC1CCCOC1 155ec647c0efb4e829632d4c9c1c651c [0,2,0,0,0,0|2,0,0]=4 2286 B11R1.28 Cl/C=C/COC1CCCSC1 7e88f7324a413239620e66a9eaa69616 [0,2,0,0,0,0|2,0,0]=4 2287 B11R1.28 Cl/C=C/COC1CCOCC1 25098257f589016252de522e8a0a2312 [0,2,0,0,0,0|2,0,0]=4 2288 B11R1.28 Cl/C=C/COC1CCSCC1 2e672171d28ffb1a727bb19fcad2483c [0,2,0,0,0,0|2,0,0]=4 2289 B11R1.28 Cl/C=C/CO[C@@H]1CCCOC1 9b48c1fdd1bb4301d096608a07e56a04 [0,2,0,0,0,0|2,0,0]=4 2290 B11R1.28 Cl/C=C/CO[C@H]1CCCOC1 2c65f6e4d2a1942aafaafadd0be86b33 [0,2,0,0,0,0|2,0,0]=4 2291 B11R1.28 Cl/C=C\COC1CCCCC1 11cff04688039188dbb3465dcc5f92eb [0,2,0,0,0,0|1,0,0]=3 2292 B11R1.28 Cl/C=C\COC1CCCCO1 21a35f9ae1f824a34515434bfc544f40 [0,2,0,0,0,0|2,0,0]=4 2293 B11R1.28 Cl/C=C\COC1CCCOC1 c4ff5d31f9d7e2fd3566f0adb37cb9d3 [0,2,0,0,0,0|2,0,0]=4 2294 B11R1.28 Cl/C=C\COC1CCCSC1 55db584946e61a69a2137170634c1762 [0,2,0,0,0,0|2,0,0]=4 2295 B11R1.28 Cl/C=C\COC1CCOCC1 de380e0a6ab653c0736fe7387b91679a [0,2,0,0,0,0|2,0,0]=4 2296 B11R1.28 Cl/C=C\COC1CCSCC1 47b25ff13cb5d1075d876079d44a9228 [0,2,0,0,0,0|2,0,0]=4 2297 B11R1.28 Cl/C=C\CO[C@@H]1CCCOC1 f9ad7de0706ca7bf864fcb05b82eb303 [0,2,0,0,0,0|2,0,0]=4 2298 B11R1.28 Cl/C=C\CO[C@H]1CCCOC1 8c913753ab0a367fff86b7b9bdc6d124 [0,2,0,0,0,0|2,0,0]=4 2299 B11R1.28 ClC=CCOC1CCCCC1 11f21a6bdd2c30a7735d799534dfa590 [0,2,0,0,0,0|1,0,0]=3 2300 B11R1.28 ClC=CCOC1CCCCO1 450bc7b47ed059f3b8d26ee8c60d4214 [0,2,0,0,0,0|2,0,0]=4 2301 B11R1.28 ClC=CCOC1CCCOC1 5569eb2e71500a921693ca0acd7a8939 [0,2,0,0,0,0|2,0,0]=4 2302 B11R1.28 ClC=CCOC1CCOCC1 66d369a6ab9684ef5a4bd15c77d3f8a7 [0,2,0,0,0,0|2,0,0]=4 2303 B11R1.28 ClC=CCOC1CCSCC1 92d84c2651931f781ad2b1e2574a6a95 [0,2,0,0,0,0|2,0,0]=4 2304 B11R1.28 FCCCOC1CCCCC1 da6d8f04453b061b9af4cd595a01691d [0,2,0,0,0,0|1,0,1]=4 2305 B11R1.28 FCCOCC1CCCCC1 72eea73dfa6eadd6da2ce328c0a192c0 [0,2,0,0,0,0|1,0,1]=4 2306 B11R1.28 FCOCCC1CCCCC1 47d5c12944f0e4db7a16d1e5b9471e6e [0,2,0,0,0,0|1,0,1]=4 2307 B11R1.28 IC#CCOC1CCCCC1 6619627f20b1db13ed9a2fe3862f3d99 [0,2,0,0,0,0|1,0,1]=4 2308 B11R1.28 N#CCCOC1CCCCC1 9fc3efb7674bbb97a91c8ea9ed4b8341 [0,2,0,0,0,0|1,0,1]=4 2309 B11R1.28 N#CCOCC1CCCCC1 33e99362dc177a017a45d7710a0a5811 [0,2,0,0,0,0|1,0,1]=4 2310 B11R1.28 N#CNCOC1CCCCC1 a8c0287aeea15abddbca8c47ee17f237 [0,2,0,0,0,0|1,0,1]=4 2311 B11R1.28 N#CSCOC1CCCCC1 1261b35fad0324d301252166def24394 [0,2,0,0,0,0|0,1,1]=4 2312 B11R1.28 O=CCCNC1CCCOC1 65269ac699fca721578ce6e2ea9f599b [0,2,0,0,0,0|2,0,0]=4 2313 B11R1.28 O=CCCNC1CCOCC1 13371183d4fca46aa56a0438533856d7 [0,2,0,0,0,0|2,0,0]=4 2314 B11R1.28 O=CCCNC1CCSCC1 f21da9d2f0b7e6943ef811bc29f7af54 [0,2,0,0,0,0|2,0,0]=4 2315 B11R1.28 O=CCCN[C@@H]1CCCOC1 28647d2b55756857dc761ff001ee8589 [0,2,0,0,0,0|2,0,0]=4 2316 B11R1.28 O=CCCN[C@H]1CCCOC1 2cef133abcb8c5758c7540eadd2ac14f [0,2,0,0,0,0|2,0,0]=4 2317 B11R1.28 O=CCCOC1C=CCCC1 5feda64cfca88d2bdc093d74288d60c6 [0,2,0,0,0,0|0,0,2]=4 2318 B11R1.28 O=CCCOC1CC=CCC1 beed134715fc88535fcc05c1b2193ce2 [0,2,0,0,0,0|0,0,2]=4 2319 B11R1.28 O=CCCOC1CCCCC1 645c96a53a3cbc5d81abe2f23a3ce3dd [0,2,0,0,0,0|0,0,0]=2 2320 B11R1.28 O=CCCOC1CCCCO1 54a4dbf23bbe0e0ef9d7403df910fc3b [0,2,0,0,0,0|1,0,0]=3 2321 B11R1.28 O=CCCOC1CCCOC1 d505233fbaa391a22f2e95c0f424fcf2 [0,2,0,0,0,0|1,0,0]=3 2322 B11R1.28 O=CCCOC1CCCSC1 547919c60df0b9c1a9b244c85e0cda42 [0,2,0,0,0,0|1,0,0]=3 2323 B11R1.28 O=CCCOC1CCOCC1 ba9cd8b54cc02e97a15fbaf55afc62ee [0,2,0,0,0,0|1,0,0]=3 2324 B11R1.28 O=CCCOC1CCSCC1 a9ff16b8eeac4279546f1131748045bf [0,2,0,0,0,0|1,0,0]=3 2325 B11R1.28 O=CCCO[C@@H]1CCCOC1 befbfe1280608682ff0ff398c8df937b [0,2,0,0,0,0|1,0,0]=3 2326 B11R1.28 O=CCCO[C@H]1CCCOC1 01084d62fa7c8bf8db5a686ba9966eab [0,2,0,0,0,0|1,0,0]=3 2327 B11R1.28 O=CCNCC1CCCCC1 2384e459251cdf4e13efbde379898487 [0,2,0,0,0,0|1,0,0]=3 2328 B11R1.28 O=CCNCC1CCCCO1 e34a82bc0f04e89e34ad8322fd2514ec [0,2,0,0,0,0|2,0,0]=4 2329 B11R1.28 O=CCNCC1CCCOC1 c6a913f3430bf8083f64f61ae15de9ce [0,2,0,0,0,0|2,0,0]=4 2330 B11R1.28 O=CCNCC1CCOCC1 d644d25fbf43d3f9dd19d31e71f069cc [0,2,0,0,0,0|2,0,0]=4 2331 B11R1.28 O=CCNCC1CCSCC1 84c7ca4896181167957b998a3331e2f5 [0,2,0,0,0,0|2,0,0]=4 2332 B11R1.28 O=CCNC[C@@H]1CCCOC1 5aa71edb1056d9bf6feae5b98a1f3a14 [0,2,0,0,0,0|2,0,0]=4 2333 B11R1.28 O=CCNC[C@H]1CCCOC1 d928a3aa88aef6bc46207a2dfadb0ad0 [0,2,0,0,0,0|2,0,0]=4 2334 B11R1.28 O=CCOCC1=CCCCC1 7e1519530d2e7496cae943486309b15b [0,2,0,0,0,0|0,0,2]=4 2335 B11R1.28 O=CCOCC1CC=CCC1 f39c1651690941029936ad9b22d9396d [0,2,0,0,0,0|0,0,2]=4 2336 B11R1.28 O=CCOCC1CCCCC1 5a2f7280d1bce864ba80d6bc8e83ff36 [0,2,0,0,0,0|0,0,0]=2 2337 B11R1.28 O=CCOCC1CCCCO1 91292454926d4369eb7f66eaf2c652a9 [0,2,0,0,0,0|1,0,0]=3 2338 B11R1.28 O=CCOCC1CCCOC1 17b1c21655cf1b68e5ef961957a8f44d [0,2,0,0,0,0|1,0,0]=3 2339 B11R1.28 O=CCOCC1CCOCC1 d82d1bcdd21fcaabe89a0ad81a686577 [0,2,0,0,0,0|1,0,0]=3 2340 B11R1.28 O=CCOCC1CCSCC1 09c5922a59d5afeabdad5dbc9dc82daf [0,2,0,0,0,0|1,0,0]=3 2341 B11R1.28 O=CCOCC1COCCO1 50b1f62352eb7ca73add1660dc21b6ae [0,2,0,0,0,0|2,0,0]=4 2342 B11R1.28 O=CCOC[C@@H]1CC=CCC1 876c40177d0f6317af54e2234d0b4685 [0,2,0,0,0,0|0,0,2]=4 2343 B11R1.28 O=CCOC[C@@H]1CCCCO1 f9c127b38bd1c4b88be283376fec901e [0,2,0,0,0,0|1,0,0]=3 2344 B11R1.28 O=CCOC[C@@H]1CCCOC1 bee4ccfebcc4e430903e809e7515d840 [0,2,0,0,0,0|1,0,0]=3 2345 B11R1.28 O=CCOC[C@@H]1COCCO1 ba53de2a7543a110a10dba5f413be832 [0,2,0,0,0,0|2,0,0]=4 2346 B11R1.28 O=CCOC[C@H]1CC=CCC1 35f5cf4fe77395f04b8079f8701de46d [0,2,0,0,0,0|0,0,2]=4 2347 B11R1.28 O=CCOC[C@H]1CCCCO1 8e7b529e748cdcc0d5c00876bb8614ec [0,2,0,0,0,0|1,0,0]=3 2348 B11R1.28 O=CCOC[C@H]1CCCOC1 c6247223f6f4b0ef4c6765bfe6f23190 [0,2,0,0,0,0|1,0,0]=3 2349 B11R1.28 O=CCOC[C@H]1COCCO1 c78c8d28dba0e6fbfc92622422336b38 [0,2,0,0,0,0|2,0,0]=4 2350 B11R1.28 O=CNCCC1CCCCC1 220c987def40116415ea87c985755b84 [0,2,0,0,0,0|1,0,0]=3 2351 B11R1.28 O=CNCCC1CCCCO1 f1a2bf8898129b06fd6a78dc89723693 [0,2,0,0,0,0|2,0,0]=4 2352 B11R1.28 O=CNCCC1CCCOC1 8f53ee72f7b032fe736848b9fedb526f [0,2,0,0,0,0|2,0,0]=4 2353 B11R1.28 O=CNCCC1CCOCC1 e2aa740f65d2b20bdd159bb246e12a64 [0,2,0,0,0,0|2,0,0]=4 2354 B11R1.28 O=CNCCC1CCSCC1 9348ba89d40ebc224bc7ce1914c13534 [0,2,0,0,0,0|2,0,0]=4 2355 B11R1.28 O=CNCCN1CCCCC1 e9adda18df1ce8475ea8a4e37a7726db [0,2,0,0,0,0|2,0,0]=4 2356 B11R1.28 SCCCOC1CCCCC1 da2c6989cda21de68fbeb93b91e0ede6 [0,2,0,0,0,0|0,1,1]=4 2357 B11R1.28 SCCOCC1CCCCC1 b675c36dd959cef4731af5e4a01c12fe [0,2,0,0,0,0|0,1,1]=4 2358 B11R1.40 C#CC(=O)NC1CCCOC1 8aef47fafc5936a5087e433789eb2ab6 [0,2,0,0,0,0|2,0,0]=4 2359 B11R1.40 C#CC(=O)NC1CCOCC1 6a2592f2f08c9295cdcd8b49e82ce6f3 [0,2,0,0,0,0|2,0,0]=4 2360 B11R1.40 C#CC(=O)N[C@@H]1CCCOC1 1a74976bd5da8d5b5dfb8afe8d1cb7a3 [0,2,0,0,0,0|2,0,0]=4 2361 B11R1.40 C#CC(=O)N[C@H]1CCCOC1 179f74b0d84d734e01ae68087e127058 [0,2,0,0,0,0|2,0,0]=4 2362 B11R1.40 C#CC(C)OC1CCCCC1 4445a32a708083389b325751576779da [0,2,0,0,0,0|1,0,1]=4 2363 B11R1.40 C#C[C@@H](C)OC1CCCCC1 d30b298f8b1bb8149c2b85f21649f73c [0,2,0,0,0,0|1,0,1]=4 2364 B11R1.40 C#C[C@H](C)OC1CCCCC1 10258065e0c1dd006cde4780f49ab887 [0,2,0,0,0,0|1,0,1]=4 2365 B11R1.40 C=C(C=O)OC1C=CCCC1 2bd6043758d7516063b1f564c39118c6 [0,2,0,0,0,0|0,0,2]=4 2366 B11R1.40 C=C(C=O)OC1CCCCC1 83442df048e84ca166f7cbc3e77a387f [0,2,0,0,0,0|0,0,0]=2 2367 B11R1.40 C=C(C=O)OC1CCCCO1 8c3648ea1cd3e5a4e39f46cf7f55857e [0,2,0,0,0,0|1,0,0]=3 2368 B11R1.40 C=C(C=O)OC1CCCOC1 6a432184142cc31ef974a50abc98ddbc [0,2,0,0,0,0|1,0,0]=3 2369 B11R1.40 C=C(C=O)OC1CCOCC1 157c9bbef8d6c6c80a412008c6fbcff7 [0,2,0,0,0,0|1,0,0]=3 2370 B11R1.40 C=C(C=O)OC1CCSCC1 746d9fa728c772180597c27198bc7f9d [0,2,0,0,0,0|1,0,0]=3 2371 B11R1.40 C=CC(=O)NC1CCCOC1 fac6086a0cf09519143aaf3e4e0b472c [0,2,0,0,0,0|2,0,0]=4 2372 B11R1.40 C=CC(=O)NC1CCOCC1 9a8347bdbe03dff46f52593e4fe5cfe4 [0,2,0,0,0,0|2,0,0]=4 2373 B11R1.40 C=CC(=O)NC1CCSCC1 dffe42385fbae1ae5b77fed073bc2b42 [0,2,0,0,0,0|2,0,0]=4 2374 B11R1.40 C=CC(=O)N[C@@H]1CCCOC1 0a72dffcab444b5f771dece69ec6893a [0,2,0,0,0,0|2,0,0]=4 2375 B11R1.40 C=CC(=O)N[C@H]1CCCOC1 4ec5d64daf548357784cec18136e8b8f [0,2,0,0,0,0|2,0,0]=4 2376 B11R1.40 C=CC(C)NC1CCCCC1 073c52b537dd42bece421133132117e6 [0,2,0,0,0,0|2,0,0]=4 2377 B11R1.40 C=CC(C)OC1CCCCC1 78b44d5fb2c128cddce3296498f79e1f [0,2,0,0,0,0|1,0,0]=3 2378 B11R1.40 C=CC(C)OC1CCCCO1 87954eafca6fc27fe1d4d3d2f018976b [0,2,0,0,0,0|2,0,0]=4 2379 B11R1.40 C=CC(C)OC1CCCOC1 a9222f71f5aded236e99431348954b4e [0,2,0,0,0,0|2,0,0]=4 2380 B11R1.40 C=CC(C)OC1CCCSC1 2f1af132afb88f5da40b66ef4283e921 [0,2,0,0,0,0|2,0,0]=4 2381 B11R1.40 C=CC(C)OC1CCOCC1 dc01a2cb5388254786ab11215e4923ae [0,2,0,0,0,0|2,0,0]=4 2382 B11R1.40 C=CC(C)OC1CCSCC1 7a68953896618bc0171ebdf1df64d0bf [0,2,0,0,0,0|2,0,0]=4 2383 B11R1.40 C=CC(C)O[C@@H]1CCCOC1 97c03038f699c4eecde2a6be9edb5608 [0,2,0,0,0,0|2,0,0]=4 2384 B11R1.40 C=CC(C)O[C@H]1CCCOC1 5488a62b674ff50f85a4f209d851b42c [0,2,0,0,0,0|2,0,0]=4 2385 B11R1.40 C=C[C@H](C)OC1CCCCC1 00bfa20141037096d67b1aca1c49d4f2 [0,2,0,0,0,0|1,0,0]=3 2386 B11R1.40 C=C[C@H](C)OC1CCCCO1 14fbbcc413d79f4bacda0ef4a7e74ff4 [0,2,0,0,0,0|2,0,0]=4 2387 B11R1.40 C=C[C@H](C)OC1CCCOC1 eacb259ff98a16a1e3dfff29fbc3b974 [0,2,0,0,0,0|2,0,0]=4 2388 B11R1.40 C=C[C@H](C)OC1CCOCC1 5f1144ab25acd4ce49cfcb25f4909de2 [0,2,0,0,0,0|2,0,0]=4 2389 B11R1.40 C=C[C@H](C)OC1CCSCC1 2daa132456d6e6adfdd9e83d70fd6011 [0,2,0,0,0,0|2,0,0]=4 2390 B11R1.40 CC(C#N)OC1CCCCC1 e5074473d85af91795675838e90ac32c [0,2,0,0,0,0|1,0,1]=4 2391 B11R1.40 CC(C=O)NC1CCCOC1 b17d9e8ea89feb39b823e1b77ed46056 [0,2,0,0,0,0|2,0,0]=4 2392 B11R1.40 CC(C=O)NC1CCOCC1 aea762986f13c4a095e3346dfcd10e17 [0,2,0,0,0,0|2,0,0]=4 2393 B11R1.40 CC(C=O)NC1CCSCC1 4cd96c930dae7537ec8f0ccfe4090586 [0,2,0,0,0,0|2,0,0]=4 2394 B11R1.40 CC(C=O)N[C@@H]1CCCOC1 4440fc4eabfecd43d28f5788eb7485e6 [0,2,0,0,0,0|2,0,0]=4 2395 B11R1.40 CC(C=O)N[C@H]1CCCOC1 5453e0db3a25e7ed79bfc7609e082d12 [0,2,0,0,0,0|2,0,0]=4 2396 B11R1.40 CC(C=O)OC1C=CCCC1 eb4bba6e7b115e514024a60b64cfd64d [0,2,0,0,0,0|0,0,2]=4 2397 B11R1.40 CC(C=O)OC1CC=CCC1 5114735008fdc5843faea366196ce446 [0,2,0,0,0,0|0,0,2]=4 2398 B11R1.40 CC(C=O)OC1CCCCC1 97a82b0c9906bf732600e31f004b8379 [0,2,0,0,0,0|0,0,0]=2 2399 B11R1.40 CC(C=O)OC1CCCCO1 f42f78c20b4ae3325048411e6d6ea3ee [0,2,0,0,0,0|1,0,0]=3 2400 B11R1.40 CC(C=O)OC1CCCOC1 b031b01cd5a7146b823633d5aff0f461 [0,2,0,0,0,0|1,0,0]=3 2401 B11R1.40 CC(C=O)OC1CCCSC1 d5924f7b4ae18a297c70b2bca4ac5289 [0,2,0,0,0,0|1,0,0]=3 2402 B11R1.40 CC(C=O)OC1CCOCC1 8b9290b09465c6b2fbce4ad11a8dfd76 [0,2,0,0,0,0|1,0,0]=3 2403 B11R1.40 CC(C=O)OC1CCSCC1 edfe9f8b53fa6986b0f6e4e241ac69e9 [0,2,0,0,0,0|1,0,0]=3 2404 B11R1.40 CC(C=O)O[C@@H]1CCCOC1 11f20fa1756386907c987f9c9d78cf7f [0,2,0,0,0,0|1,0,0]=3 2405 B11R1.40 CC(C=O)O[C@H]1CCCOC1 8f1b49002a2e0a2eaa149b034b75278e [0,2,0,0,0,0|1,0,0]=3 2406 B11R1.40 CC(CF)OC1CCCCC1 7c31c53507e51e0381a40db6249bf008 [0,2,0,0,0,0|1,0,1]=4 2407 B11R1.40 CC(CS)OC1CCCCC1 26a1d4c3acecebf120c303cf927727c9 [0,2,0,0,0,0|0,1,1]=4 2408 B11R1.40 CCC(=O)NC1CCCOC1 6a44e5ed4a68ff40ee26387827becf9a [0,2,0,0,0,0|2,0,0]=4 2409 B11R1.40 CCC(=O)NC1CCOCC1 0ecbabe059b9d557eb6b263d4b851ed7 [0,2,0,0,0,0|2,0,0]=4 2410 B11R1.40 CCC(=O)NC1CCSCC1 63146d5f136fa04f33c9c991b53d2ca9 [0,2,0,0,0,0|2,0,0]=4 2411 B11R1.40 CCC(=O)N[C@@H]1CCCOC1 07ed65afefafaafb25ccddc8b9d18cc2 [0,2,0,0,0,0|2,0,0]=4 2412 B11R1.40 CCC(=O)N[C@H]1CCCOC1 87319a9c3ec35612f157bccaab09fdd1 [0,2,0,0,0,0|2,0,0]=4 2413 B11R1.40 CCC(C)OC1CCCCC1 5314eadc109e4244fc32fa4504bd073c [0,2,0,0,0,0|1,0,1]=4 2414 B11R1.40 CC[C@@H](C)OC1CCCCC1 f2a6fb3afcec156ba44da6c293278c31 [0,2,0,0,0,0|1,0,1]=4 2415 B11R1.40 CC[C@H](C)OC1CCCCC1 591e7bf7445591bdfacfa2200dc9cfc6 [0,2,0,0,0,0|1,0,1]=4 2416 B11R1.40 CN(C=O)CC1CCCCC1 a4141b9f309b84a7bbfe4f3281518f11 [0,2,0,0,0,0|1,0,0]=3 2417 B11R1.40 CN(C=O)CC1CCCCO1 e4a553572762be3befb505361cb1f512 [0,2,0,0,0,0|2,0,0]=4 2418 B11R1.40 CN(C=O)CC1CCCOC1 fb065f5569f76eedfb92fb15d310b060 [0,2,0,0,0,0|2,0,0]=4 2419 B11R1.40 CN(C=O)CC1CCOCC1 812f359b4b951b179f6c73b5da161bd6 [0,2,0,0,0,0|2,0,0]=4 2420 B11R1.40 CN(C=O)CC1CCSCC1 1f6f27086697736b1cdb46bb2584235c [0,2,0,0,0,0|2,0,0]=4 2421 B11R1.40 C[C@H](C=O)NC1CCCOC1 b23348b7982bba99debba77d7160b448 [0,2,0,0,0,0|2,0,0]=4 2422 B11R1.40 C[C@H](C=O)NC1CCOCC1 8ca7dd739224e4bd1acc95145217af01 [0,2,0,0,0,0|2,0,0]=4 2423 B11R1.40 C[C@H](C=O)NC1CCSCC1 86c797da42269028b16e0ab82b6abbe0 [0,2,0,0,0,0|2,0,0]=4 2424 B11R1.40 C[C@H](C=O)N[C@@H]1CCCOC1 0283f65208d2c74a2f0db42b0f062582 [0,2,0,0,0,0|2,0,0]=4 2425 B11R1.40 C[C@H](C=O)N[C@H]1CCCOC1 c4688fc033b7a5588d33d39c6be7153e [0,2,0,0,0,0|2,0,0]=4 2426 B11R1.40 C[C@H](C=O)OC1C=CCCC1 4922acf3c7ea1208f612c428a4d134bc [0,2,0,0,0,0|0,0,2]=4 2427 B11R1.40 C[C@H](C=O)OC1CC=CCC1 a9d7c51de83208fc8e92e577d536d8d4 [0,2,0,0,0,0|0,0,2]=4 2428 B11R1.40 C[C@H](C=O)OC1CCCCC1 e6837a874b8b733d077efbf79aab57e4 [0,2,0,0,0,0|0,0,0]=2 2429 B11R1.40 C[C@H](C=O)OC1CCCCO1 6afcf4cdfde2392e75295f8b9921d29a [0,2,0,0,0,0|1,0,0]=3 2430 B11R1.40 C[C@H](C=O)OC1CCCOC1 de45ca1e5fb58d7efdeb35a0200b65bb [0,2,0,0,0,0|1,0,0]=3 2431 B11R1.40 C[C@H](C=O)OC1CCCSC1 3dfd969d935b4175e4a48235d62185b9 [0,2,0,0,0,0|1,0,0]=3 2432 B11R1.40 C[C@H](C=O)OC1CCOCC1 b3ce75672a54491d5ebdaf5a7c9c618b [0,2,0,0,0,0|1,0,0]=3 2433 B11R1.40 C[C@H](C=O)OC1CCSCC1 65084a412e35ed41031c1ffc72648cd1 [0,2,0,0,0,0|1,0,0]=3 2434 B11R1.40 C[C@H](C=O)O[C@@H]1CCCOC1 6e4102046defc9c61fca4511ecaebf31 [0,2,0,0,0,0|1,0,0]=3 2435 B11R1.40 C[C@H](C=O)O[C@H]1CCCOC1 0349b4cec1b546728a553d1cc17844e2 [0,2,0,0,0,0|1,0,0]=3 2436 B11R1.40 C[C@H](CS)OC1CCCCC1 f39eee7b9676656591d32605f5266cf1 [0,2,0,0,0,0|0,1,1]=4 2437 B11R1.40 N#CC(F)OC1CCCCC1 5a467b2368f73567e025d270446cb04d [0,2,0,0,0,0|1,0,1]=4 2438 B11R1.40 O=C(CF)NC1CCCOC1 374e78ec6ebec43e094f69eddb35aed8 [0,2,0,0,0,0|2,0,0]=4 2439 B11R1.40 O=C(CF)NC1CCOCC1 1d35b69ef86baf99dd026961b7dbce59 [0,2,0,0,0,0|2,0,0]=4 2440 B11R1.40 O=C(CF)N[C@@H]1CCCOC1 fa51cd16e98b0ab770f31f46f1f33cc0 [0,2,0,0,0,0|2,0,0]=4 2441 B11R1.40 O=C(CF)N[C@H]1CCCOC1 4bf00f909078d5c8b394a67173bf6d69 [0,2,0,0,0,0|2,0,0]=4 2442 B11R1.40 O=C(CO)NC1CCCOC1 e68fca1be22977985af541802f524cec [0,2,0,0,0,0|2,0,0]=4 2443 B11R1.40 O=C(CO)NC1CCOCC1 8828fb10e6c52a94af755f3aec00b4b8 [0,2,0,0,0,0|2,0,0]=4 2444 B11R1.40 O=C(CO)NC1CCSCC1 3ca7fb15e15b22a706514e8da635d23b [0,2,0,0,0,0|2,0,0]=4 2445 B11R1.40 O=C(CO)N[C@@H]1CCCOC1 53c5ab99580ab667aa55ce860987381b [0,2,0,0,0,0|2,0,0]=4 2446 B11R1.40 O=C(CO)N[C@H]1CCCOC1 982073ebf29b28f3868e25b25930c9a3 [0,2,0,0,0,0|2,0,0]=4 2447 B11R1.40 O=CC(=O)NC1CCCOC1 ec2a040ddbdccfd8c09a32ed3b67dc49 [0,2,0,0,0,0|2,0,0]=4 2448 B11R1.40 O=CC(=O)NC1CCOCC1 1a61c49163afe7f8f4559e9ea46fa08e [0,2,0,0,0,0|2,0,0]=4 2449 B11R1.40 O=CC(=O)NC1CCSCC1 cb8c3eb297c51e3a2f3e34cc57ba17a1 [0,2,0,0,0,0|2,0,0]=4 2450 B11R1.40 O=CC(=O)N[C@@H]1CCCOC1 9c8159713f0bb2a222953fb86d737934 [0,2,0,0,0,0|2,0,0]=4 2451 B11R1.40 O=CC(=O)N[C@H]1CCCOC1 5d933ee0d563dc1baeb7a7dc33ced734 [0,2,0,0,0,0|2,0,0]=4 2452 B11R1.91 C=C(Br)CNC1CCCCC1 20c58ced94c95fd156376955cd3fd9fb [0,2,0,0,0,0|2,0,0]=4 2453 B11R1.91 C=C(Br)COC1CCCCC1 4834c4be1a7a994be3cd4c57d39da00a [0,2,0,0,0,0|1,0,0]=3 2454 B11R1.91 C=C(Br)COC1CCCCO1 7c19c635189d48436a78d4d682b37dc2 [0,2,0,0,0,0|2,0,0]=4 2455 B11R1.91 C=C(Br)COC1CCCOC1 098cb0b564404f344542cb72ea444eba [0,2,0,0,0,0|2,0,0]=4 2456 B11R1.91 C=C(Br)COC1CCCSC1 10f69e7c4fd3bbb2e13e9fd1a776848b [0,2,0,0,0,0|2,0,0]=4 2457 B11R1.91 C=C(Br)COC1CCOCC1 f4f4cbd984f452472721fec797bf6e56 [0,2,0,0,0,0|2,0,0]=4 2458 B11R1.91 C=C(Br)COC1CCSCC1 7ad57e8bbc42d12f171e7ac34b02f9b6 [0,2,0,0,0,0|2,0,0]=4 2459 B11R1.91 C=C(Br)CO[C@@H]1CCCOC1 0554e75876336d556c2c53a517bec592 [0,2,0,0,0,0|2,0,0]=4 2460 B11R1.91 C=C(Br)CO[C@H]1CCCOC1 aff37e143dfaeff00d8fce8b15766d73 [0,2,0,0,0,0|2,0,0]=4 2461 B11R1.91 C=C(C)CNC1CCCCC1 6e13273d2f70189265915afc32701c47 [0,2,0,0,0,0|2,0,0]=4 2462 B11R1.91 C=C(C)COC1CCCCC1 50c8ef2211e3be911595ca55ab0d0453 [0,2,0,0,0,0|1,0,0]=3 2463 B11R1.91 C=C(C)COC1CCCCO1 8f5405a3f95dcf1a9b7db14018beee27 [0,2,0,0,0,0|2,0,0]=4 2464 B11R1.91 C=C(C)COC1CCCOC1 e37f4448c31c78275276507c185a62ee [0,2,0,0,0,0|2,0,0]=4 2465 B11R1.91 C=C(C)COC1CCCSC1 5bb89a22bb734bd6ab54c183cd508d42 [0,2,0,0,0,0|2,0,0]=4 2466 B11R1.91 C=C(C)COC1CCOCC1 3b8c0cea57a3b78c0705d15616fe0f9a [0,2,0,0,0,0|2,0,0]=4 2467 B11R1.91 C=C(C)COC1CCSCC1 da5de2d559a2575a93668f66ffc0d019 [0,2,0,0,0,0|2,0,0]=4 2468 B11R1.91 C=C(C)CO[C@@H]1CCCOC1 b2aa887d4df1642dd589a46789432bd0 [0,2,0,0,0,0|2,0,0]=4 2469 B11R1.91 C=C(C)CO[C@H]1CCCOC1 74e091080a5b7b39df0dfbc208d51d43 [0,2,0,0,0,0|2,0,0]=4 2470 B11R1.91 C=C(Cl)COC1CCCCC1 85797ac0f62fa9a575b998f3a2cafd13 [0,2,0,0,0,0|1,0,0]=3 2471 B11R1.91 C=C(Cl)COC1CCCCO1 93b51e08797d84b8f4f096daf173b74e [0,2,0,0,0,0|2,0,0]=4 2472 B11R1.91 C=C(Cl)COC1CCCOC1 3d121b2a766667404fc95924a758104f [0,2,0,0,0,0|2,0,0]=4 2473 B11R1.91 C=C(Cl)COC1CCCSC1 4da081c4a14b71e2b19be286c80a417d [0,2,0,0,0,0|2,0,0]=4 2474 B11R1.91 C=C(Cl)COC1CCOCC1 b60a3e828b915c6bcb7acec282dc375c [0,2,0,0,0,0|2,0,0]=4 2475 B11R1.91 C=C(Cl)COC1CCSCC1 a2ec5da6a65db67428f282a2d3dbeae4 [0,2,0,0,0,0|2,0,0]=4 2476 B11R1.91 C=C(Cl)CO[C@@H]1CCCOC1 5b563ca11fff26ab4214a76d481ce9bc [0,2,0,0,0,0|2,0,0]=4 2477 B11R1.91 C=C(Cl)CO[C@H]1CCCOC1 de691f915d29b0caffa2cb40daf92037 [0,2,0,0,0,0|2,0,0]=4 2478 B11R1.91 C=C(F)COC1CCCCC1 be5d809b154714d00f34c1201d024aea [0,2,0,0,0,0|1,0,0]=3 2479 B11R1.91 C=C(F)COC1CCCCO1 8b705ba2793f41fe1a2bb76a5d0b8dd5 [0,2,0,0,0,0|2,0,0]=4 2480 B11R1.91 C=C(F)COC1CCCOC1 e2ff0f1961aff88885327babb53fe3f2 [0,2,0,0,0,0|2,0,0]=4 2481 B11R1.91 C=C(F)COC1CCCSC1 3d35d946071b4e65d32f5849382c8e51 [0,2,0,0,0,0|2,0,0]=4 2482 B11R1.91 C=C(F)COC1CCOCC1 67cdee419f0c31324fad22c3bbcf3e83 [0,2,0,0,0,0|2,0,0]=4 2483 B11R1.91 C=C(F)COC1CCSCC1 2a5d3f9d584d1d8256952afe8a1e2d16 [0,2,0,0,0,0|2,0,0]=4 2484 B11R1.91 C=C(F)CO[C@@H]1CCCOC1 62c75b3fb5cddd4ec16d85523c4c0e3f [0,2,0,0,0,0|2,0,0]=4 2485 B11R1.91 C=C(F)CO[C@H]1CCCOC1 c1fb97fa583d430ecb874da170a12a87 [0,2,0,0,0,0|2,0,0]=4 2486 B11R1.91 C=C(I)COC1CCCCC1 79ca0476ce049479bd4e23516532418e [0,2,0,0,0,0|1,0,0]=3 2487 B11R1.91 C=C(I)COC1CCCCO1 d1ad9dcfd44d434b6dfaad964cd72f7d [0,2,0,0,0,0|2,0,0]=4 2488 B11R1.91 C=C(I)COC1CCOCC1 df74b136c5a8b914ff9d8abd75d9a10c [0,2,0,0,0,0|2,0,0]=4 2489 B11R1.91 C=C(I)COC1CCSCC1 1e3145cdb233578f7d06473233f71739 [0,2,0,0,0,0|2,0,0]=4 2490 B11R1.91 CC(=O)CNC1CCCCC1 41f3bbc8aa0b0ee4d56e1bb353997307 [0,2,0,0,0,0|1,0,0]=3 2491 B11R1.91 CC(=O)CNC1CCCCO1 640e2d5dd77a8849aa1935cd7a9aaaec [0,2,0,0,0,0|2,0,0]=4 2492 B11R1.91 CC(=O)CNC1CCOCC1 10b3387bc43639e331178a4c69daffef [0,2,0,0,0,0|2,0,0]=4 2493 B11R1.91 CC(=O)CNC1CCSCC1 75f6cddad8f4560df686e2d799a50eba [0,2,0,0,0,0|2,0,0]=4 2494 B11R1.91 CC(=O)COC1C=CCCC1 4a9c7793b48aa95192a70b82c4f26c86 [0,2,0,0,0,0|0,0,2]=4 2495 B11R1.91 CC(=O)COC1CCCCC1 763ec2b1245af52120f0b3066af09e15 [0,2,0,0,0,0|0,0,0]=2 2496 B11R1.91 CC(=O)COC1CCCCO1 3d4068b55a8ce6af68b0e3cc3b7d2997 [0,2,0,0,0,0|1,0,0]=3 2497 B11R1.91 CC(=O)COC1CCOCC1 78d69c5167fb6b3f9b2e72f96bf7e4f6 [0,2,0,0,0,0|1,0,0]=3 2498 B11R1.91 CC(=O)COC1CCSCC1 d4fa1c6f9f23997dc550dd796644a359 [0,2,0,0,0,0|1,0,0]=3 2499 B11R1.91 CC(=O)NCC1CCCCC1 13ef8179cc48c409da15977c5ecf76d3 [0,2,0,0,0,0|1,0,0]=3 2500 B11R1.91 CC(=O)NCC1CCCCO1 d41d6bb17f3dbf038f44a0f16313e24b [0,2,0,0,0,0|2,0,0]=4 2501 B11R1.91 CC(=O)NCC1CCCOC1 c162092dc9bd16e0593256fa1f9ecc04 [0,2,0,0,0,0|2,0,0]=4 2502 B11R1.91 CC(=O)NCC1CCOCC1 a250d52d0d92eb3951169ce5ef31c600 [0,2,0,0,0,0|2,0,0]=4 2503 B11R1.91 CC(=O)NCC1CCSCC1 1a220d480c47a704f778fa097ef9e650 [0,2,0,0,0,0|2,0,0]=4 2504 B11R1.91 CC(=O)NC[C@@H]1CCCOC1 7aa7e3d46556da04f95282ed5cd2d18d [0,2,0,0,0,0|2,0,0]=4 2505 B11R1.91 CC(=O)NC[C@H]1CCCOC1 084cc7a58a2d167832e33c785a7b8e6f [0,2,0,0,0,0|2,0,0]=4 2506 B11R1.91 CC(=O)OCN1CCCOC1 a435707ece880897c2100e8bac5dc365 [0,2,0,0,0,0|2,0,0]=4 2507 B11R1.91 CC(=O)OCN1CCCSC1 3cb1b90740ede26e7b067364b9666030 [0,2,0,0,0,0|2,0,0]=4 2508 B11R1.91 CC(=O)OCN1CCOCC1 d9ae0f642945963ffb89753dee635384 [0,2,0,0,0,0|2,0,0]=4 2509 B11R1.91 CC(=O)OCN1CCSCC1 e8cd7b236b32cf305e5aa75427d0e458 [0,2,0,0,0,0|2,0,0]=4 2510 B11R1.91 CC(C)COC1CCCCC1 7819b34cbd8ad7c57fa1b5b9ae584724 [0,2,0,0,0,0|1,0,1]=4 2511 B11R1.91 CC(C)OCC1CCCCC1 51cc2d63a8c37a12d3bab34a3922fdb2 [0,2,0,0,0,0|1,0,1]=4 2512 B11R1.91 CC(F)COC1CCCCC1 7994f2c32f011028084b3cffbdd02931 [0,2,0,0,0,0|1,0,1]=4 2513 B11R1.91 CC(S)COC1CCCCC1 df891f233fec9585db2fa6e81d33cca4 [0,2,0,0,0,0|0,1,1]=4 2514 B11R1.91 CN(C)COC1CCCCC1 a35bdd0bd9519c7e55c98714ae620f46 [0,2,0,0,0,0|1,0,1]=4 2515 B11R1.91 C[C@@H](F)COC1CCCCC1 edb6f87500f078cc9680d2382285d974 [0,2,0,0,0,0|1,0,1]=4 2516 B11R1.91 C[C@H](F)COC1CCCCC1 2dbbff1b6360423349c10857f3204dfa [0,2,0,0,0,0|1,0,1]=4 2517 B11R1.91 FC(F)COC1CCCCC1 f66dbd841dd2ac23f2c43fcde1a70677 [0,2,0,0,0,0|1,0,1]=4 2518 B11R1.91 NC(=O)CNC1CCCCC1 49e5840c39ba3b16bc013cd4a010e6e2 [0,2,0,0,0,0|1,0,0]=3 2519 B11R1.91 NC(=O)CNC1CCCCO1 77547d4c4aa5b337cc9f58bc45131765 [0,2,0,0,0,0|2,0,0]=4 2520 B11R1.91 NC(=O)CNC1CCCOC1 1007f91d868311dbb54465e7a6fcf67e [0,2,0,0,0,0|2,0,0]=4 2521 B11R1.91 NC(=O)CNC1CCOCC1 757770f7ab41f826c5d7d3c04b8e6998 [0,2,0,0,0,0|2,0,0]=4 2522 B11R1.91 NC(=O)CNC1CCSCC1 684cdd657024777f9fde6a50615fc77c [0,2,0,0,0,0|2,0,0]=4 2523 B11R1.91 NC(=O)CN[C@@H]1CCCOC1 2b3531d9c6e9cb00b997e4b5b96e0a39 [0,2,0,0,0,0|2,0,0]=4 2524 B11R1.91 NC(=O)CN[C@H]1CCCOC1 06c11d9089c484f923d9961e6c1bde57 [0,2,0,0,0,0|2,0,0]=4 2525 B11R1.91 NC(=O)COC1C=CCCC1 685f8fbd1472783d4b11bbc3863a0643 [0,2,0,0,0,0|0,0,2]=4 2526 B11R1.91 NC(=O)COC1CC=CCC1 b277d335224b1bfbf1561016917de774 [0,2,0,0,0,0|0,0,2]=4 2527 B11R1.91 NC(=O)COC1CCCCC1 0342972a414d125c2c7187722ddbb7ed [0,2,0,0,0,0|0,0,0]=2 2528 B11R1.91 NC(=O)COC1CCCCO1 b743e037b96fdfe795d73b2a6b3d677d [0,2,0,0,0,0|1,0,0]=3 2529 B11R1.91 NC(=O)COC1CCCOC1 3ce477607b16c3f723d795213b697118 [0,2,0,0,0,0|1,0,0]=3 2530 B11R1.91 NC(=O)COC1CCCSC1 114cee36eff1bbe73b442d1dcfd9e4d4 [0,2,0,0,0,0|1,0,0]=3 2531 B11R1.91 NC(=O)COC1CCOCC1 f5152c979e641dc0b61c7c82b273a315 [0,2,0,0,0,0|1,0,0]=3 2532 B11R1.91 NC(=O)COC1CCSCC1 171546b24ae9b4c03a058eedb55be2f5 [0,2,0,0,0,0|1,0,0]=3 2533 B11R1.91 NC(=O)CO[C@@H]1CCCOC1 f62eb70c2ae44d9967537ee070112b1b [0,2,0,0,0,0|1,0,0]=3 2534 B11R1.91 NC(=O)CO[C@H]1CCCOC1 c717b8751a6e62c85fba2d8d08c918e4 [0,2,0,0,0,0|1,0,0]=3 2535 B11R1.91 NC(=S)COC1CCCCC1 a9342e76e82f7be88546e871ebb9b1ee [0,2,0,0,0,0|0,1,0]=3 2536 B11R1.91 NC(=S)COC1CCOCC1 ffdcbef09732aa5c7b7d661ba4408ab3 [0,2,0,0,0,0|1,1,0]=4 2537 B11R1.91 NC(=S)COC1CCSCC1 fee8821892d08a3f893b992486641032 [0,2,0,0,0,0|1,1,0]=4 2538 B11R1.91 O=C(O)CNC1CCCCC1 6170fa39da854f2ae539e4442d25e354 [0,2,0,0,0,0|1,0,0]=3 2539 B11R1.91 O=C(O)CNC1CCCCO1 0601744de8bfaeac3efa0eaae34b0e2a [0,2,0,0,0,0|2,0,0]=4 2540 B11R1.91 O=C(O)CNC1CCCOC1 de8c0d47483c3f100833bbc04551e425 [0,2,0,0,0,0|2,0,0]=4 2541 B11R1.91 O=C(O)CNC1CCOCC1 de1a366c5915b7b602ff6be02564e839 [0,2,0,0,0,0|2,0,0]=4 2542 B11R1.91 O=C(O)CNC1CCSCC1 a1d4dcc34b9d978a9aada4af63ce44d5 [0,2,0,0,0,0|2,0,0]=4 2543 B11R1.91 O=C(O)CN[C@@H]1CCCOC1 a4936671de955a660a8b95906cfcf3fe [0,2,0,0,0,0|2,0,0]=4 2544 B11R1.91 O=C(O)CN[C@H]1CCCOC1 c38b7aafbfb095786d36e5a2e6d14252 [0,2,0,0,0,0|2,0,0]=4 2545 B11R1.91 O=C(O)COC1C=CCCC1 c3f7e6b0d0e179c5212602af0da237e3 [0,2,0,0,0,0|0,0,2]=4 2546 B11R1.91 O=C(O)COC1CC=CCC1 ca0b2885f3d3dd592d4501c37019d1e7 [0,2,0,0,0,0|0,0,2]=4 2547 B11R1.91 O=C(O)COC1CCCCC1 c56b55e54d9cc9b734edcd0ed0978f43 [0,2,0,0,0,0|0,0,0]=2 2548 B11R1.91 O=C(O)COC1CCCCO1 927e1af2807bd3dd35f5b1bd3c90f17b [0,2,0,0,0,0|1,0,0]=3 2549 B11R1.91 O=C(O)COC1CCCOC1 f10d417684ae0b4f2fe8858293490ec1 [0,2,0,0,0,0|1,0,0]=3 2550 B11R1.91 O=C(O)COC1CCCSC1 7272dae6ecc3c9c2a4ea28deac73fb75 [0,2,0,0,0,0|1,0,0]=3 2551 B11R1.91 O=C(O)COC1CCOCC1 d35c7985939bbbbf7d929dd6cf8e4d91 [0,2,0,0,0,0|1,0,0]=3 2552 B11R1.91 O=C(O)COC1CCSCC1 b2cb64231e512bfba5c6f77887ea953d [0,2,0,0,0,0|1,0,0]=3 2553 B11R1.91 O=C(O)CO[C@@H]1CCCOC1 0436b7ec633e33f771801ad9b698da19 [0,2,0,0,0,0|1,0,0]=3 2554 B11R1.91 O=C(O)CO[C@H]1CCCOC1 654ae1e30203a17364d5c0aea2fe9d02 [0,2,0,0,0,0|1,0,0]=3 2555 B11R1.91 O=S(O)COC1CCCCC1 ce98fa7fea4abd576b51cca8386c298a [0,2,0,0,0,0|0,0,1]=3 2556 B11R1.91 O=S(O)COC1CCCCO1 549820d26c23b99b83b069a8adf3da02 [0,2,0,0,0,0|1,0,1]=4 2557 B11R1.91 O=S(O)COC1CCOCC1 892c83c01b6eb95c32c547205fe7dac8 [0,2,0,0,0,0|1,0,1]=4 2558 B11R1.91 O=S(O)COC1CCSCC1 7a7ac83b887c8a8c22db976a1d24067d [0,2,0,0,0,0|1,0,1]=4 2559 B11R1.91 O=[N+]([O-])COC1CCCCC1 adeab912c75b92900c0bf5ab8a6cf0fc [0,2,0,0,0,0|0,0,1]=3 2560 B11R1.91 O=[N+]([O-])COC1CCCCO1 90bea1ae11d209eba6fa13a62d566644 [0,2,0,0,0,0|1,0,1]=4 2561 B11R1.91 O=[N+]([O-])COC1CCCOC1 c328828834ac3f6893d5c5ca40b75ce6 [0,2,0,0,0,0|1,0,1]=4 2562 B11R1.91 O=[N+]([O-])COC1CCCSC1 3b7c245cb06bd4dc351499d52f034950 [0,2,0,0,0,0|1,0,1]=4 2563 B11R1.91 O=[N+]([O-])COC1CCOCC1 e30c03b809b71576a0348ae93f4e87d9 [0,2,0,0,0,0|1,0,1]=4 2564 B11R1.91 O=[N+]([O-])COC1CCSCC1 ea3e44ac7709823ea66232c30de92d36 [0,2,0,0,0,0|1,0,1]=4 2565 B11R1.91 O=[N+]([O-])CO[C@@H]1CCCOC1 c733b99133f78bbb56c7976ac15ec0e7 [0,2,0,0,0,0|1,0,1]=4 2566 B11R1.91 O=[N+]([O-])CO[C@H]1CCCOC1 a8267e65989d88e996005c2c036301e0 [0,2,0,0,0,0|1,0,1]=4 2567 B11R1.900 C=CCNC1(CCCCC1)C 18c7c747b63ef0ff85fb3f56fbd9ce13 [0,2,0,0,0,0|2,0,0]=4 2568 B11R1.900 CC1(CCCCC1)CNC=O ad0c5162eb37dd9e89fca74bd3f240b6 [0,2,0,0,0,0|1,0,0]=3 2569 B11R1.900 CC1(CCCCC1)COCF 686fc016882805f86717b3be78fa7633 [0,2,0,0,0,0|1,0,1]=4 2570 B11R1.900 CC1(CCCCC1)NCC=O 61a92997acef783dbf7355a0c4415767 [0,2,0,0,0,0|1,0,0]=3 2571 B11R1.900 CC1(CCOCC1)CNC=O d3f19145ad4870748079bb00318062e0 [0,2,0,0,0,0|2,0,0]=4 2572 B11R1.900 CC1(CCOCC1)NCC=O 40f675ec6fd166d0a38f2e8cad5a8006 [0,2,0,0,0,0|2,0,0]=4 2573 B11R1.900 CCOCC1(CCCCC1)C 9481ac9c9e0c158c30ac6952725227ed [0,2,0,0,0,0|1,0,1]=4 2574 B11R1.900 CCOCC1(CCCCC1)F 13728f352d7598795a7cc2d9458061eb [0,2,0,0,0,0|1,0,1]=4 2575 B11R1.900 FCOCC1(CCCCC1)F 01560b83aae79cbc30407fe0bf73e77e [0,2,0,0,0,0|1,0,1]=4 2576 B11R1.900 O=CNCC1(CCCCC1)O 95b362e16186671878f4fc8c097bd7b7 [0,2,0,0,0,0|1,0,0]=3 2577 B11R1.900 O=CNCC1(CCOCC1)F 869627122379854e6d7168b88b12b53e [0,2,0,0,0,0|2,0,0]=4 2578 B11R1.900 O=CNCC1(CCOCC1)O d33c7f807915a2255972eb75e7dc306f [0,2,0,0,0,0|2,0,0]=4 2579 B11R1.900 O=CNCC1(CCSCC1)O 5215fa10b905fe709e33ce258341adf9 [0,2,0,0,0,0|2,0,0]=4 2580 B11R1.1253 C#CC1(CCCCC1)NC=O 189eb31aaf834cbc5f25fcd985163470 [0,2,0,0,0,0|1,0,0]=3 2581 B11R1.1253 CCC1(CCOCC1)NC=O 25b23765d45a59454e29598db2490e96 [0,2,0,0,0,0|2,0,0]=4 2582 B11R1.1253 O=CNC1(CCCCC1)CO e3b4c672acae9e42d424bda51edef9cb [0,2,0,0,0,0|1,0,0]=3 2583 B11R1.1253 O=CNC1(CCOCC1)CO 12924b1aa26b4c2928a987d56d655323 [0,2,0,0,0,0|2,0,0]=4 2584 B9R1.9 CCCNC1CC(=O)C1 367843f6c154ea9b1b2ab5b6982e35c8 [0,0,1,1,0,0|2,0,0]=4 2585 B9R1.9 CCCOC1CC(=O)C1 cb8b05388c0c6b6c847ea07bd6f740db [0,0,1,1,0,0|2,0,0]=4 2586 B9R1.9 CCOCC1CC(=O)C1 314fc2b69b99eb56a50a5b1c782af7e0 [0,0,1,1,0,0|2,0,0]=4 2587 B9R1.9 CCOCC1CC(=O)N1 4d4a394646263ac2a76d63e6bf0523d3 [0,0,1,1,0,0|2,0,0]=4 2588 B9R1.9 CCOC[C@@H]1CC(=O)N1 0014850b07eba2466726f06d24d9917a [0,0,1,1,0,0|2,0,0]=4 2589 B9R1.9 CCOC[C@H]1CC(=O)N1 7563fb6dd848526ece65c4c755fed6d6 [0,0,1,1,0,0|2,0,0]=4 2590 B9R1.18 COC[C@@H]1C[C@@H]1NC=O e8a9d54923fee9355d76b1ab2fc703fa [0,0,1,1,0,0|2,0,0]=4 2591 B9R1.18 COC[C@H]1C[C@@H]1NC=O 51a259aae5519abbdb003acfe8bc77a1 [0,0,1,1,0,0|2,0,0]=4 2592 B9R1.20 CCCNC1CC1C=O 5a1255ba47b3f9b77a8f94f9f9e96699 [0,0,1,1,0,0|2,0,0]=4 2593 B9R1.20 CCCOC1CC1C=O 31262bf4a61a94a8c2a2cb7b4ef3e962 [0,0,1,1,0,0|2,0,0]=4 2594 B9R1.27 CC1CCC(N1C=O)C 974bae1405fe69bfea26b733c8b4d59d [0,0,1,1,0,0|1,0,0]=3 2595 B9R1.27 C[C@@H]1CC[C@@H](N1C=O)C 28badcd7126a0fb280e7c12d2c3e5b86 [0,0,1,1,0,0|1,0,0]=3 2596 B9R1.27 C[C@@H]1CC[C@H](N1C=O)C 14117eb6b1ac6a4c8652c1fab96220d1 [0,0,1,1,0,0|1,0,0]=3 2597 B9R1.27 C[C@H]1CC[C@@H](N1C=O)C 0bd414895024833ff1abad1390ce1780 [0,0,1,1,0,0|1,0,0]=3 2598 B9R1.58 CCC1CN(C1)CC=O 5991f5887d4d26815f752c25d2b83d8c [0,0,1,1,0,0|2,0,0]=4 2599 B9R1.58 CCN1CC(C1)NC=O 654e5c797cd9e09b0a36d5eb4d57d46a [0,0,1,1,0,0|2,0,0]=4 2600 B9R1.58 COC1CC(C1)NC=O f38d38d31f56fdbc9fd4859d8075e88d [0,0,1,1,0,0|2,0,0]=4 2601 B9R1.58 CO[C@H]1C[C@@H](C1)NC=O b551bf8e0261066dcebf0954b2daeb3c [0,0,1,1,0,0|2,0,0]=4 2602 B9R1.58 CO[C@H]1C[C@H](C1)NC=O b6bfdf60e8203ef19524c38c27dd9e96 [0,0,1,1,0,0|2,0,0]=4 2603 B9R1.58 O=CNC1CC(C1)CO aa81e0701cc11451582d61bafa31ec68 [0,0,1,1,0,0|2,0,0]=4 2604 B9R1.58 O=CN[C@H]1C[C@@H](C1)CO 9e33625bc19eeaeea4fbd6df057d3a00 [0,0,1,1,0,0|2,0,0]=4 2605 B9R1.58 O=CN[C@H]1C[C@H](C1)CO a549ffc441fb198eec77bdb6f5d9ad9a [0,0,1,1,0,0|2,0,0]=4 2606 B9R1.73 CC(NC=O)C1COC1 9cad3b84e897cad45e98b83b30bbbaf6 [0,0,1,1,0,0|2,0,0]=4 2607 B9R1.73 CC(OCF)C1CCC1 06ac4485af71ed5ecf6e3ed79ce57e2a [0,0,1,1,0,0|1,0,1]=4 2608 B9R1.73 CCOC(C)C1CCC1 0b24261bffd5879ed99c8dff6e3e7277 [0,0,1,1,0,0|1,0,1]=4 2609 B9R1.73 CCO[C@@H](C)C1CCC1 8e815a4884bd12b4bd9f77f0cc4082b1 [0,0,1,1,0,0|1,0,1]=4 2610 B9R1.73 CN(CC=O)C1CCC1 4070207922d913418d9261706762628a [0,0,1,1,0,0|2,0,0]=4 2611 B9R1.73 C[C@@H](NC=O)C1COC1 f81ff31966704238e566ce6c33cda041 [0,0,1,1,0,0|2,0,0]=4 2612 B9R1.73 C[C@H](NC=O)C1COC1 59e975a1c44dcf7eb53f369bd553578d [0,0,1,1,0,0|2,0,0]=4 2613 B9R1.73 C[C@H](OCF)C1CCC1 a9c582dd064a7b048c1e71613faf2512 [0,0,1,1,0,0|1,0,1]=4 2614 B9R1.75 CC(CC1CC1)OCF a4cdbc285fe130812cfbb0eed0b3cd90 [0,0,1,1,0,0|1,0,1]=4 2615 B9R1.75 CCOC(C)CC1CC1 0f29d538d0c6398a5b46e339b080cd7b [0,0,1,1,0,0|1,0,1]=4 2616 B9R1.75 CN(CC=O)CC1CC1 660f525c3d97ae7acbd01c8e55aff13f [0,0,1,1,0,0|2,0,0]=4 2617 B9R1.4 CCC1CCN1CC=O aee48a138645dd7a756ef2b78311f413 [0,0,1,1,0,0|2,0,0]=4 2618 B9R1.4 COC1CCC1NC=O 0516ce26a02ed622900cc504f80eba14 [0,0,1,1,0,0|2,0,0]=4 2619 B9R1.4 COCC1CCN1C=O c8b8b5b0fdbcc9317c0fd4bfbe42e156 [0,0,1,1,0,0|2,0,0]=4 2620 B9R1.4 COC[C@@H]1CCN1C=O 4300e27a8cfd5eda3ca1f78e5c5877b6 [0,0,1,1,0,0|2,0,0]=4 2621 B9R1.4 COC[C@H]1CCN1C=O dc6d58be0dbd75769c416bde7f6785a9 [0,0,1,1,0,0|2,0,0]=4 2622 B9R1.4 CO[C@@H]1CC[C@@H]1NC=O 13b3ff47b5c1143e5efc5fc4a12ae663 [0,0,1,1,0,0|2,0,0]=4 2623 B9R1.4 CO[C@@H]1CC[C@H]1NC=O 5ace3a07ef2f61f85978acb689b55bb8 [0,0,1,1,0,0|2,0,0]=4 2624 B9R1.4 CO[C@H]1CC[C@@H]1NC=O 55fdc1b99ccc1745203679378dc7e779 [0,0,1,1,0,0|2,0,0]=4 2625 B9R1.4 CO[C@H]1CC[C@H]1NC=O 529d28774ce1207e0706afe7464d213a [0,0,1,1,0,0|2,0,0]=4 2626 B9R1.4 O=CN1CCC1CCO c85a94914843f4f69a819dff95e34c1e [0,0,1,1,0,0|2,0,0]=4 2627 B9R1.14 CCC1CCCN1C=O 9bfd3104fb9bd3ec80e56f7f40a87d09 [0,0,1,1,0,0|1,0,0]=3 2628 B9R1.14 CC[C@@H]1CCCN1C=O da9d0e05329f820d63cc29621bd7430d [0,0,1,1,0,0|1,0,0]=3 2629 B9R1.14 COC1CCCN1C=O 8aa7b22777bc471212d982f27b92f5fd [0,0,1,1,0,0|2,0,0]=4 2630 B9R1.14 O=CN1CCCC1CO 75b12ffa9bd2f35acc3b984d4ad2e6f7 [0,0,1,1,0,0|2,0,0]=4 2631 B9R1.14 O=CN1CCC[C@@H]1CF 45884ece6cccc8922acf889d282db837 [0,0,1,1,0,0|2,0,0]=4 2632 B9R1.14 O=CN1CCC[C@@H]1CO b2e4d0ee0a911eac6a5bfd92181e1f8a [0,0,1,1,0,0|2,0,0]=4 2633 B9R1.14 O=CN1CCC[C@H]1CF efa94b1e9832aaf370863a6f8233628a [0,0,1,1,0,0|2,0,0]=4 2634 B9R1.14 O=CN1CCC[C@H]1CO 6edb00daf504246f581ca4815eae2e10 [0,0,1,1,0,0|2,0,0]=4 2635 B9R1.16 CC1CC1COCC=O e38c4912a5bd244cfef6cdfcd630eadf [0,0,1,1,0,0|2,0,0]=4 2636 B9R1.16 CC1CC1NCCC=O 41a62504559929453219af6a8e069423 [0,0,1,1,0,0|2,0,0]=4 2637 B9R1.16 C[C@@H]1C[C@H]1COCC=O 7ae74dfc03906b5b41f7f9d5bbdb763b [0,0,1,1,0,0|2,0,0]=4 2638 B9R1.16 C[C@H]1C[C@@H]1COCC=O b02f0ce03a967d9b5a7484bce5693d9b [0,0,1,1,0,0|2,0,0]=4 2639 B9R1.16 C[C@H]1C[C@H]1COCC=O c17ac892c3cf503bcc9858e0bcb45921 [0,0,1,1,0,0|2,0,0]=4 2640 B9R1.17 CCOCCC1CCC1 b8fb156ada576d4ff345af9850e688ed [0,0,1,1,0,0|1,0,1]=4 2641 B9R1.17 FCOCCC1CCC1 ac390425974b2cdfe56e29e455e898e6 [0,0,1,1,0,0|1,0,1]=4 2642 B9R1.17 O=CCCCN1CCC1 c9421be176719d154eb5accc0053f780 [0,0,1,1,0,0|2,0,0]=4 2643 B9R1.17 O=CCCNC1CCC1 1b528abcf9d669c9f08c41d2e17cde6d [0,0,1,1,0,0|2,0,0]=4 2644 B9R1.17 O=CCCOC1CCC1 ca0325a8327dd5387ba03d5c4c035d7d [0,0,1,1,0,0|2,0,0]=4 2645 B9R1.17 O=CCNCC1CCC1 d9fc727438c262514562cfe2c9442588 [0,0,1,1,0,0|2,0,0]=4 2646 B9R1.17 O=CCOCC1CCC1 df39e2693a3babd07be9a7e868d03e5c [0,0,1,1,0,0|2,0,0]=4 2647 B9R1.17 O=CNCCC1CCC1 e202ec16281bf0e218ffc459925c1fd6 [0,0,1,1,0,0|1,0,0]=3 2648 B9R1.17 O=CNCCC1CCO1 cdf38e52e7d02ed5e20cbef43a20f6b9 [0,0,1,1,0,0|2,0,0]=4 2649 B9R1.17 O=CNCCC1COC1 b9ec2701a554368fc6ec06579c4cd9f5 [0,0,1,1,0,0|2,0,0]=4 2650 B9R1.17 O=CNCCN1CCC1 6730ab1f9f0bf6f2fcaf5bbea4cd4d18 [0,0,1,1,0,0|2,0,0]=4 2651 B9R1.17 O=CNCC[C@@H]1CCO1 7931fbc71d7a018e517df0f2d3977f68 [0,0,1,1,0,0|2,0,0]=4 2652 B9R1.39 CCCN[C@H]1CNC1=O d54fb2abe7455950df3e037f3ce21945 [0,0,1,1,0,0|2,0,0]=4 2653 B9R1.39 CCCOC1CCC1=O 6747d0d4bf3ca4d2474fd2057207f365 [0,0,1,1,0,0|2,0,0]=4 2654 B9R1.39 CCOCC1CCC1=O a06c32f97be82794ffc1ab53b750de7f [0,0,1,1,0,0|2,0,0]=4 2655 B9R1.39 CN1CCC1CNC=O 4ed43e8d18b2935d99bd7891c23f5d60 [0,0,1,1,0,0|2,0,0]=4 2656 B9R1.39 C[C@@H]1CC[C@@H]1NCC=O 010d1f07421a6ab7666be29e45bdb933 [0,0,1,1,0,0|2,0,0]=4 2657 B9R1.39 C[C@@H]1CC[C@H]1NCC=O 5bdea5e6a123d69d5ec9a77ce96f151b [0,0,1,1,0,0|2,0,0]=4 2658 B9R1.83 C=COCCNC1CC1 de194d8695caa8e793a0fd361853e44a [0,0,1,1,0,0|2,0,0]=4 2659 B9R1.83 C=COCCOC1CC1 dab1da01423ce24e3c6490deb4b0c2b7 [0,0,1,1,0,0|2,0,0]=4 2660 B9R1.83 CCOCCCC1CC1 58903da184310c5a30f3427e9b172b7e [0,0,1,1,0,0|1,0,1]=4 2661 B9R1.83 FCOCCCC1CC1 0b8c9326c555d9697fcaddb0289edb0e [0,0,1,1,0,0|1,0,1]=4 2662 B9R1.83 O=CCCCNC1CC1 90250eaeb8b0faae4f92ea1a0d59bfaf [0,0,1,1,0,0|2,0,0]=4 2663 B9R1.83 O=CCCCOC1CC1 8c56cd950e39548ad0d9b9606b829577 [0,0,1,1,0,0|2,0,0]=4 2664 B9R1.83 O=CCCNCC1CC1 7c4d27f4b68b41c8eddb041c82ef0a24 [0,0,1,1,0,0|2,0,0]=4 2665 B9R1.83 O=CCCOCC1CC1 daa9b247c38693dadc6d33a20c9e023c [0,0,1,1,0,0|2,0,0]=4 2666 B9R1.83 O=CCNCCC1CC1 c081918168c1dc9e5f44e991519eecf1 [0,0,1,1,0,0|2,0,0]=4 2667 B9R1.83 O=CCOCCC1CC1 e95c5fc4c9f9574f689822c866eeb674 [0,0,1,1,0,0|2,0,0]=4 2668 B9R1.83 O=CNCCOC1CC1 44267b449bf44e7f8fd59e98843644fe [0,0,1,1,0,0|2,0,0]=4 2669 B9R1.83 O=COCCOC1CC1 827a5d8c0ec3a0e23501930474206359 [0,0,1,1,0,0|1,0,0]=3 2670 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [0,0,1,1,0,0|1,0,0]=3 2671 B9R1.89 O=CN1CCCOCC1 ac69421f50e86b391ee77e2bd7abf564 [0,0,1,1,0,0|2,0,0]=4 2672 B9R1.43 CCC(NC=O)C1CC1 618ac20a3738bad38f11073dfe0da608 [0,0,1,1,0,0|1,0,0]=3 2673 B9R1.43 CCC(OCF)C1CC1 53c2cec5cfb4e9b78548b7dbcf17e75b [0,0,1,1,0,0|1,0,1]=4 2674 B9R1.43 CCN(CC=O)C1CC1 ce70e3243ed3b268f1fcde1f3305661c [0,0,1,1,0,0|2,0,0]=4 2675 B9R1.43 CCOC(CC)C1CC1 15ad00b2d460aeaaf95244223bb6dfbf [0,0,1,1,0,0|1,0,1]=4 2676 B9R1.43 O=CNC(CO)C1CC1 31dd438de772b4bc7a174e2a13d1f11d [0,0,1,1,0,0|2,0,0]=4 2677 B9R1.43 O=CN[C@@H](CO)C1CC1 c7c4dd7fa3503aaf39c132229a3e6b0d [0,0,1,1,0,0|2,0,0]=4 2678 B9R1.43 O=CN[C@H](CO)C1CC1 e510b4ede0e0c3b330d7b4bf0311fc18 [0,0,1,1,0,0|2,0,0]=4 2679 B9R1.175 O=CNC1(CCC1)CO 07ab30e8d66ec0ccdb1f2f42524cc774 [0,0,1,1,0,0|2,0,0]=4 2680 B9R1.182 COCC1(CC1)NC=O db0dfd1c347ee63427cea44172a57fee [0,0,1,1,0,0|2,0,0]=4 2681 B9R2.47 O=CN1CC2CC2C1 36a8f9666de0b344dd5d7bcd36723907 [1,0,0,1,0,0|1,0,0]=3 2682 B9R2.65 O=CN1C2C1CCC2 35dd2a078e80056fcadb05b73d230f9b [1,0,0,1,0,0|1,0,0]=3 2683 B9R2.70 O=CN1CCC2C1C2 d206edc137cc271c5c4fc8f637217354 [1,0,0,1,0,0|1,0,0]=3 2684 B11R2.82 O=CCN1CCC2CC2C1 2886e1cc796bd771e503849d349134c1 [0,0,0,1,0,1|2,0,0]=4 2685 B11R2.82 O=CNC1CCC2CC2C1 686605d091aeb279fc9fe54d907ef9be [0,0,0,1,0,1|1,0,0]=3 2686 B11R2.82 O=CN[C@@H]1CCC2CC2C1 9cd586b972adc5459163ae8378b42d67 [0,0,0,1,0,1|1,0,0]=3 2687 B11R2.82 O=CN[C@H]1CCC2CC2C1 00b565f6996e947c4a7d33040a7b369c [0,0,0,1,0,1|1,0,0]=3 2688 B11R2.97 O=CCN1CC2CCC2C1 71491fb77620c293a0b23232eebcfa48 [0,0,0,1,0,1|2,0,0]=4 2689 B11R2.98 O=CCN1CC2C1CCC2 cbf272c12d6bfcdb405bc29fc3784d5c [0,0,0,1,0,1|2,0,0]=4 2690 B11R2.98 O=CCN1C[C@H]2[C@@H]1CCC2 b53ccf0b23c2c6884d4a847d04d91bf7 [0,0,0,1,0,1|2,0,0]=4 2691 B11R2.232 O=CN1C2CCC1COC2 2533ba6ff8c06e8007a63e63af81263f [0,0,0,1,0,1|1,0,0]=3 2692 B11R2.232 O=CN1C2CCCC1CC2 e6d6fa2e9f6a69fd2b5ab6c9e348687a [0,0,0,1,0,1|1,0,0]=3 2693 B11R2.232 O=CN1[C@@H]2CCC[C@H]1CC2 bbc1e7e126da1e5b5fdc64856ef8a497 [0,0,0,1,0,1|1,0,0]=3 2694 B11R2.232 O=CN1[C@@H]2CC[C@H]1COC2 837d7f681bb40d9148aaa859608fa4f5 [0,0,0,1,0,1|1,0,0]=3 2695 B11R2.321 O=CN1C2CCCCC1C2 d5126c4814dffad5558caf109dbc6533 [0,0,0,1,0,1|1,0,0]=3 2696 B11R2.635 O=CCN1C2C1CCCC2 88d39799d9fed4c6bd4b764ce7eacb12 [0,0,0,1,0,1|2,0,0]=4 2697 B11R2.641 O=CCN1CCOC2C1C2 eddb694aaa3f13c639dc290c07efdce2 [0,0,0,1,0,1|2,0,0]=4 2698 B11R2.349 CN1C[C@@H]2[C@H](C1)[C@H]2NC=O 9d1b22c51c62365c07a65f1eb5fff210 [0,1,0,1,0,0|2,0,0]=4 2699 B11R2.75 O=CCN1C2COCC1C2 51b57fd6a433767d951502062348c77a [0,1,0,1,0,0|2,0,0]=4 2700 B11R2.248 CCOC1CC2CCC1C2 2081ca2c52687c9ec26f6dd79cded3d3 [0,1,0,1,0,0|1,0,1]=4 2701 B11R2.248 CCOC1C[C@@H]2CC[C@H]1C2 a5999d34a2677bf36efe323919382388 [0,1,0,1,0,0|1,0,1]=4 2702 B11R2.248 CCO[C@@H]1C[C@H]2CC[C@@H]1C2 fb6639d2fcd765d3adf0e1abc7137940 [0,1,0,1,0,0|1,0,1]=4 2703 B11R2.248 CCO[C@H]1C[C@@H]2CC[C@H]1C2 d72504917e40d4f292729b43c8e19b0a [0,1,0,1,0,0|1,0,1]=4 2704 B11R2.248 CCO[C@H]1C[C@H]2CC[C@@H]1C2 831490b704d2a92add6f8aa3ab501137 [0,1,0,1,0,0|1,0,1]=4 2705 B11R2.248 FCOC1CC2CCC1C2 156bae4f90639dbe5119ef0ea91bd047 [0,1,0,1,0,0|1,0,1]=4 2706 B11R2.248 FCOC1C[C@@H]2CC[C@H]1C2 35bcf7f8841529dba13489f1a750d2f6 [0,1,0,1,0,0|1,0,1]=4 2707 B11R2.248 FCO[C@@H]1C[C@H]2CC[C@@H]1C2 fafa7dd19c0da52c7a1dec1a4d69020e [0,1,0,1,0,0|1,0,1]=4 2708 B11R2.248 FCO[C@H]1C[C@@H]2CC[C@H]1C2 400d28a6ca786a75e263652ad8ecc69b [0,1,0,1,0,0|1,0,1]=4 2709 B11R2.248 FCO[C@H]1C[C@H]2CC[C@@H]1C2 0d2d4a074ff78320b67cb055216567e9 [0,1,0,1,0,0|1,0,1]=4 2710 B11R2.248 O=CCN1CC2CCC1C2 2cb3b4ff197c764373f24eba2f60dff8 [0,1,0,1,0,0|2,0,0]=4 2711 B11R2.248 O=CCN1C[C@@H]2CC[C@H]1C2 d7903c50ddf4434a8e9fffe3754f5e71 [0,1,0,1,0,0|2,0,0]=4 2712 B11R2.248 O=CCN1C[C@H]2CC[C@@H]1C2 f26292df1b8be541c8d9469e3962bbdc [0,1,0,1,0,0|2,0,0]=4 2713 B11R2.248 O=CN[C@@H]1CN2CC[C@H]1C2 0d7e42f4e3681ad7c2a85fecde6d58b2 [0,1,0,1,0,0|2,0,0]=4 2714 B11R2.248 O=CN[C@@H]1C[N@]2CC[C@@H]1C2 c56abfc46a2dc2f45e3f854fd8789314 [0,1,0,1,0,0|2,0,0]=4 2715 B11R2.248 O=CN[C@H]1CN2CC[C@H]1C2 acd85e9bea3c5a70f2caf11c91611eea [0,1,0,1,0,0|2,0,0]=4 2716 B11R2.248 O=CN[C@H]1C[N@]2CC[C@@H]1C2 255e5fb31ca951f85ba209e453303f74 [0,1,0,1,0,0|2,0,0]=4 2717 B11R2.988 O=CN1CC2C1CCCC2 9a9d48d4faa9369ffd143ba3073ff209 [0,1,0,1,0,0|1,0,0]=3 2718 B11R2.988 O=CN1C[C@@H]2[C@H]1CCCC2 3c577a9059507038595aaa0a7b79f1d9 [0,1,0,1,0,0|1,0,0]=3 2719 B11R2.163 O=CN1CC2CCCC1C2 3ecd6319fc409d95674deeec537ab86c [0,1,0,1,0,0|1,0,0]=3 2720 B11R2.217 CN1CC2CC(C1)N2C=O ae394ec46e5f9e6aac6ea08e0090726a [0,1,0,1,0,0|2,0,0]=4 2721 B11R2.645 CCOC1CC2CC(C2)C1 655d12f00137879a75bd16ae8237d024 [0,1,0,1,0,0|1,0,1]=4 2722 B11R2.645 FCOC1CC2CC(C2)C1 f613d98d8c07f8432f195dbb120eba69 [0,1,0,1,0,0|1,0,1]=4 2723 B11R2.645 O=CCN1CC2CC(C1)O2 ee314479ad1f3d779b92816c3853380e [0,1,0,1,0,0|2,0,0]=4 2724 B11R2.645 O=CCN1C[C@H]2C[C@@H](C1)O2 9fb3962e86d2c1c0c758005df07a2c02 [0,1,0,1,0,0|2,0,0]=4 2725 B11R2.905 CC(C=O)N1C2C1CCC2 dc7bb95e6dc14a20c5a374a35aa641c4 [0,1,0,1,0,0|2,0,0]=4 2726 B11R2.905 C[C@H](C=O)N1C2C1CCC2 da37e20eb69beace2528a9034516771a [0,1,0,1,0,0|2,0,0]=4 2727 B11R2.905 O=CC(=O)N1C2C1CCC2 fe6df68038cebccfb677480ef1a8b941 [0,1,0,1,0,0|2,0,0]=4 2728 B11R2.911 CC(C=O)N1CCC2C1C2 078bda05485c3abf347cef6a2d40933b [0,1,0,1,0,0|2,0,0]=4 2729 B11R2.911 C[C@H](C=O)N1CCC2C1C2 a4639a7ea80c28ed8097f546445ab744 [0,1,0,1,0,0|2,0,0]=4 2730 B11R2.911 O=CC(=O)N1CCC2C1C2 12ccf0e1d6f2f40b52abb5da581b9981 [0,1,0,1,0,0|2,0,0]=4 2731 B11R2.914 CC(C=O)N1CC2CC2C1 8648a8e57426f829ee5750746f72eb39 [0,1,0,1,0,0|2,0,0]=4 2732 B11R2.914 C[C@H](C=O)N1CC2CC2C1 e2b89a919e2393fd07c7e564231368f9 [0,1,0,1,0,0|2,0,0]=4 2733 B11R2.914 O=CC(=O)N1CC2CC2C1 1e10a7f8c8ab560708591bb91cf5fb99 [0,1,0,1,0,0|2,0,0]=4 2734 B11R2.76 C=CCN1C2CCC1CC2 226e4948c627e2b05c4122f0de2d6d22 [0,1,0,1,0,0|2,0,0]=4 2735 B11R2.76 C=CCN1[C@H]2CC[C@@H]1CC2 cda7434da15c95c0c9b7ba32e5ac56f9 [0,1,0,1,0,0|2,0,0]=4 2736 B11R2.76 O=CCN1C2CCC1CC2 ae03750c1102a04dfcb48805e408986a [0,1,0,1,0,0|1,0,0]=3 2737 B11R2.76 O=CCN1[C@H]2CC[C@@H]1CC2 91e20d05f60e3b317a69b54e08777d71 [0,1,0,1,0,0|1,0,0]=3 2738 B11R2.157 C#CCOC1CC2CC2C1 674049afa6dbd0f17f1812d7966fc95a [0,1,0,1,0,0|1,0,1]=4 2739 B11R2.157 C#CCOC1C[C@@H]2C[C@@H]2C1 76ce4504d752c86e493f14b59c142955 [0,1,0,1,0,0|1,0,1]=4 2740 B11R2.157 C#CCO[C@@H]1C[C@@H]2C[C@@H]2C1 ffd4da4317ca1bb598fd288ee1d9a1ba [0,1,0,1,0,0|1,0,1]=4 2741 B11R2.157 C#CCO[C@H]1C[C@@H]2C[C@@H]2C1 06b7161d044a7d45f7c879c127e5ec30 [0,1,0,1,0,0|1,0,1]=4 2742 B11R2.157 C=CCOC1CC2CC2C1 5f522b41a2300244aa5ca98481e41b3c [0,1,0,1,0,0|1,0,0]=3 2743 B11R2.157 C=CCOC1C[C@@H]2C[C@@H]2C1 d0c05f035d51e994ff6034ecfcb2bd09 [0,1,0,1,0,0|1,0,0]=3 2744 B11R2.157 C=CCO[C@@H]1C[C@@H]2C[C@@H]2C1 5731b635fa6f1e4e4de24f1031e2532d [0,1,0,1,0,0|1,0,0]=3 2745 B11R2.157 C=CCO[C@H]1C[C@@H]2C[C@@H]2C1 cb9f64acf38488f78b03bd4bd5d0bb2a [0,1,0,1,0,0|1,0,0]=3 2746 B11R2.157 CCCOC1CC2CC2C1 6109945cbd2def0bae318d86b4758568 [0,1,0,1,0,0|1,0,1]=4 2747 B11R2.157 CCCOC1C[C@@H]2C[C@@H]2C1 f6db505b774d08e1fee6356a36bc7666 [0,1,0,1,0,0|1,0,1]=4 2748 B11R2.157 CCCO[C@@H]1C[C@@H]2C[C@@H]2C1 04d12717b6a842cf84598d5431008dfb [0,1,0,1,0,0|1,0,1]=4 2749 B11R2.157 CCCO[C@H]1C[C@@H]2C[C@@H]2C1 661bd758c76a14a990770db5f3e67736 [0,1,0,1,0,0|1,0,1]=4 2750 B11R2.157 COCOC1CC2CC2C1 66e852637fc374f3e241738fa926cec0 [0,1,0,1,0,0|0,0,2]=4 2751 B11R2.157 COCOC1C[C@@H]2C[C@@H]2C1 4d1bf8cbf12698b89017c77e22012b86 [0,1,0,1,0,0|0,0,2]=4 2752 B11R2.157 COCO[C@@H]1C[C@@H]2C[C@@H]2C1 cf85f037d0f59b49bf405f61fb278bb5 [0,1,0,1,0,0|0,0,2]=4 2753 B11R2.157 COCO[C@H]1C[C@@H]2C[C@@H]2C1 d4931af1d5afd8be81b8ab8ef7ad8775 [0,1,0,1,0,0|0,0,2]=4 2754 B11R2.157 CSCOC1CC2CC2C1 9aab6358c27f089ff4291a8058795154 [0,1,0,1,0,0|0,1,1]=4 2755 B11R2.157 CSCOC1C[C@@H]2C[C@@H]2C1 1b26c25608d9e0d71c5b0269e14dfcc7 [0,1,0,1,0,0|0,1,1]=4 2756 B11R2.157 CSCO[C@@H]1C[C@@H]2C[C@@H]2C1 79ca8216e0e634368e48b8d6524d0ead [0,1,0,1,0,0|0,1,1]=4 2757 B11R2.157 CSCO[C@H]1C[C@@H]2C[C@@H]2C1 06509252fdaa2cd069f70beb9b79d1e5 [0,1,0,1,0,0|0,1,1]=4 2758 B11R2.157 FCCOC1CC2CC2C1 fc42f73a6e265ed41cd8f0bd1c3138f4 [0,1,0,1,0,0|1,0,1]=4 2759 B11R2.157 FCCOC1C[C@@H]2C[C@@H]2C1 f90c54953b3006198709184b8f065071 [0,1,0,1,0,0|1,0,1]=4 2760 B11R2.157 FCCO[C@@H]1C[C@@H]2C[C@@H]2C1 898a26638476cd4d6a6ae26ee5f3799d [0,1,0,1,0,0|1,0,1]=4 2761 B11R2.157 FCCO[C@H]1C[C@@H]2C[C@@H]2C1 f6a291ed29c2dba489e2bfb6f7b05174 [0,1,0,1,0,0|1,0,1]=4 2762 B11R2.157 N#CCOC1CC2CC2C1 9895dfa7ff56f77cb863bed9622130dd [0,1,0,1,0,0|1,0,1]=4 2763 B11R2.157 N#CCOC1C[C@@H]2C[C@@H]2C1 9216ee4254a4427524ef4c775a6b4e8e [0,1,0,1,0,0|1,0,1]=4 2764 B11R2.157 N#CCO[C@@H]1C[C@@H]2C[C@@H]2C1 7eb56d942a7ebd76bf2b3d2646af5ff0 [0,1,0,1,0,0|1,0,1]=4 2765 B11R2.157 N#CCO[C@H]1C[C@@H]2C[C@@H]2C1 81398bf603776fa9f62da83650abca4a [0,1,0,1,0,0|1,0,1]=4 2766 B11R2.157 O=CCCN1CC2CC2C1 22adbcab35f0749e401d6cfd765775f5 [0,1,0,1,0,0|2,0,0]=4 2767 B11R2.157 O=CCOC1CC2CC2C1 8ba344f27f7eb2b735103abf19b8158a [0,1,0,1,0,0|0,0,0]=2 2768 B11R2.157 O=CCOC1C[C@@H]2C[C@@H]2C1 e353b07f829e98a9d5c790a070b3cbc7 [0,1,0,1,0,0|0,0,0]=2 2769 B11R2.157 O=CCO[C@@H]1C[C@@H]2C[C@@H]2C1 af3ca9b78af7496dbdb5708e8cb3b444 [0,1,0,1,0,0|0,0,0]=2 2770 B11R2.157 O=CCO[C@H]1C[C@@H]2C[C@@H]2C1 16b5a95858e275e7ec20b181805752c2 [0,1,0,1,0,0|0,0,0]=2 2771 B11R2.157 SCCOC1CC2CC2C1 2a5afad054321c7cdc8a60d3e55c4332 [0,1,0,1,0,0|0,1,1]=4 2772 B11R2.157 SCCOC1C[C@@H]2C[C@@H]2C1 7462f62d2503fe5f1d3988874b1984b7 [0,1,0,1,0,0|0,1,1]=4 2773 B11R2.157 SCCO[C@@H]1C[C@@H]2C[C@@H]2C1 b22e0a5d313dd4e402d6f01276b5a6e4 [0,1,0,1,0,0|0,1,1]=4 2774 B11R2.157 SCCO[C@H]1C[C@@H]2C[C@@H]2C1 aa030ef850fdc9acc14e74810d6c47ff [0,1,0,1,0,0|0,1,1]=4 2775 B11R2.238 C1CCC(CC1)OC2CC2 264083d7355d6967959ae346eed064fb [0,1,0,1,0,0|1,0,1]=4 2776 B11R2.258 O=CCCN1C2C1CCC2 7c8651bc62d8672b322d2f586b5483b7 [0,1,0,1,0,0|2,0,0]=4 2777 B11R2.927 C#CCOC1CCC2C1C2 ee581697d99a68ca14121802732d6d16 [0,1,0,1,0,0|1,0,1]=4 2778 B11R2.927 C#CCO[C@@H]1CC[C@@H]2[C@H]1C2 8424b09ce786122c9744fe6c5f7da3a6 [0,1,0,1,0,0|1,0,1]=4 2779 B11R2.927 C=CCOC1CCC2C1C2 87d174fdcadb136f7b813221ba82142b [0,1,0,1,0,0|1,0,0]=3 2780 B11R2.927 C=CCO[C@@H]1CC[C@@H]2[C@H]1C2 bc0d9b5bc42e6b629276110af1785a1a [0,1,0,1,0,0|1,0,0]=3 2781 B11R2.927 CCCOC1CCC2C1C2 5c2073fe79538f37015338c16dbd7c40 [0,1,0,1,0,0|1,0,1]=4 2782 B11R2.927 CCCO[C@@H]1CC[C@@H]2[C@H]1C2 f314f993b077521422f5f16e10278801 [0,1,0,1,0,0|1,0,1]=4 2783 B11R2.927 COCOC1CCC2C1C2 8832c1503c08d86e6754aadb7f00b8fb [0,1,0,1,0,0|0,0,2]=4 2784 B11R2.927 COCO[C@@H]1CC[C@@H]2[C@H]1C2 27667855f2ef0a5aaee2bb3a7574701d [0,1,0,1,0,0|0,0,2]=4 2785 B11R2.927 CSCOC1CCC2C1C2 a365a7b8308c961b75a78e471c67e370 [0,1,0,1,0,0|0,1,1]=4 2786 B11R2.927 CSCO[C@@H]1CC[C@@H]2[C@H]1C2 23c21685564685ff7d5305db6f995ecf [0,1,0,1,0,0|0,1,1]=4 2787 B11R2.927 FCCOC1CCC2C1C2 7ee45d7d2e92e84de9fc6d35e941da7e [0,1,0,1,0,0|1,0,1]=4 2788 B11R2.927 FCCO[C@@H]1CC[C@@H]2[C@H]1C2 2cf6aba0285b85666c3111647e922a16 [0,1,0,1,0,0|1,0,1]=4 2789 B11R2.927 N#CCOC1CCC2C1C2 149c78d6efc46347ca09b73a968801f5 [0,1,0,1,0,0|1,0,1]=4 2790 B11R2.927 N#CCO[C@@H]1CC[C@@H]2[C@H]1C2 f6bebe7efcf0dbcb5f5af959011f3eff [0,1,0,1,0,0|1,0,1]=4 2791 B11R2.927 O=CCCN1CCC2C1C2 60e12229b5a9cebb7db765ae9ec7a615 [0,1,0,1,0,0|2,0,0]=4 2792 B11R2.927 O=CCOC1CCC2C1C2 11b625b62c5cca50cfe3a39b3d324e97 [0,1,0,1,0,0|0,0,0]=2 2793 B11R2.927 O=CCO[C@@H]1CC[C@@H]2[C@H]1C2 50ef9ae44b7e08d265668d6ad18d78d6 [0,1,0,1,0,0|0,0,0]=2 2794 B11R2.927 SCCOC1CCC2C1C2 53e4a8c07f47910ff38f4e72934f611b [0,1,0,1,0,0|0,1,1]=4 2795 B11R2.927 SCCO[C@@H]1CC[C@@H]2[C@H]1C2 090d945030a2abdda0222850d998a45a [0,1,0,1,0,0|0,1,1]=4 2796 B11R2.824 CC(=O)N1C2CCC1CC2 03fa0afe35e2b1875ebccdc62e280ee5 [0,1,0,1,0,0|1,0,0]=3 2797 B11R2.824 CC(=O)N1[C@H]2CC[C@@H]1CC2 bb0824b30b24742919f8bc0e3edae056 [0,1,0,1,0,0|1,0,0]=3 2798 B11R2.860 NC(=O)CN1C2C1CCC2 3b47474411ebfdd191410570b68735bf [0,1,0,1,0,0|2,0,0]=4 2799 B11R2.860 O=C(O)CN1C2C1CCC2 c0fc82cf3662ea06a0ff8d5982dd3286 [0,1,0,1,0,0|2,0,0]=4 2800 B11R2.932 CC(C)OC1CCC2C1C2 07d3bb0f6fa51f8732bcdd41daed9ad4 [0,1,0,1,0,0|1,0,1]=4 2801 B11R2.932 CC(C)O[C@@H]1CC[C@@H]2[C@H]1C2 1be23c8ba963bca6eeb7e26e27c75e23 [0,1,0,1,0,0|1,0,1]=4 2802 B11R2.932 NC(=O)CN1CCC2C1C2 3815f2b03e3fb01cf99c2ca22a05e495 [0,1,0,1,0,0|2,0,0]=4 2803 B11R2.932 O=C(O)CN1CCC2C1C2 48ad542dcaee2147e97d4de3ec4b42d0 [0,1,0,1,0,0|2,0,0]=4 2804 B11R2.934 CC(C)OC1CC2CC2C1 e65f6a70e3071bb73e792e661c86e55b [0,1,0,1,0,0|1,0,1]=4 2805 B11R2.934 CC(C)OC1C[C@@H]2C[C@@H]2C1 007e1ddb41efc652a08fa1b8be4ca2f2 [0,1,0,1,0,0|1,0,1]=4 2806 B11R2.934 CC(C)O[C@@H]1C[C@@H]2C[C@@H]2C1 c48bc45c83be48403cb5e33120abf831 [0,1,0,1,0,0|1,0,1]=4 2807 B11R2.934 CC(C)O[C@H]1C[C@@H]2C[C@@H]2C1 ae008dc3513352211e69416859ed69bf [0,1,0,1,0,0|1,0,1]=4 2808 B11R2.934 NC(=O)CN1CC2CC2C1 b8287f861652f7008ce866b483810b51 [0,1,0,1,0,0|2,0,0]=4 2809 B11R2.934 O=C(O)CN1CC2CC2C1 3467b00848314b6822feff70d781421a [0,1,0,1,0,0|2,0,0]=4 2810 B11R2.1824 CC(=O)N1C2COCC1C2 ed66f8b6eadc42958e8cc3bafa6d0d5c [0,1,0,1,0,0|2,0,0]=4 2811 B11R2.1852 CC(=O)N1C2C1CCCC2 1ac38bd168268a7b023f716d059aa634 [0,1,0,1,0,0|1,0,0]=3 2812 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [1,0,0,0,1,0|2,0,0]=4 2813 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,0,0,0,2,0|1,0,1]=4 2814 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,0,0,0,2,0|1,0,1]=4 2815 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,0,0,0,2,0|2,0,0]=4 2816 B7R1.6 O=CNC1COC1 910edb395eecbce8af210d974d8d054c [0,0,0,0,2,0|2,0,0]=4 2817 B11R1.117 CCOC1/C=C/CCCCC1 abf2246196c4ef31596e50aa932027ef [0,0,0,0,0,2|1,0,1]=4 2818 B11R1.117 CCOC1/C=C\CCCCC1 4423aca8181b7315cb102110ae25321b [0,0,0,0,0,2|1,0,1]=4 2819 B11R1.117 CCOC1C=CCCCCC1 4c0498546d74402c1ac2d3026b0d1471 [0,0,0,0,0,2|1,0,1]=4 2820 B11R1.117 CCOC1CC/C=C/CCC1 dfbedb66b3c9957dc849e0852c7e305d [0,0,0,0,0,2|1,0,1]=4 2821 B11R1.117 CCOC1CC/C=C\CCC1 63e275c4a61ab775429a8cd0245cc2d7 [0,0,0,0,0,2|1,0,1]=4 2822 B11R1.117 CCOC1CCC=CCCC1 80d261f8a890bfa74e09757eb2e73342 [0,0,0,0,0,2|1,0,1]=4 2823 B11R1.117 CCOC1CCCCCCC1 8de234ac4018711f0809089a1dbd7f4d [0,0,0,0,0,2|1,0,1]=4 2824 B11R1.117 CCO[C@@H]1CCC=CCCC1 855fa20408fc85ff54969a954670dd51 [0,0,0,0,0,2|1,0,1]=4 2825 B11R1.117 CCO[C@H]1/C=C/CCCCC1 35fa0159511dcaa848d796c12724494e [0,0,0,0,0,2|1,0,1]=4 2826 B11R1.117 CCO[C@H]1/C=C\CCCCC1 9faa883b1b12ae88d72c6724171fa26a [0,0,0,0,0,2|1,0,1]=4 2827 B11R1.117 FCOC1/C=C/CCCCC1 14e6a379d03c086a4ea82900e267a8df [0,0,0,0,0,2|1,0,1]=4 2828 B11R1.117 FCOC1/C=C\CCCCC1 a5f0fee61b6c3cb202ffcc81ce2db7df [0,0,0,0,0,2|1,0,1]=4 2829 B11R1.117 FCOC1C=CCCCCC1 d04bfe3f626e598505760b8fca8f78ee [0,0,0,0,0,2|1,0,1]=4 2830 B11R1.117 FCOC1CC/C=C/CCC1 b41b173749c56ed997a1bb899ca78efa [0,0,0,0,0,2|1,0,1]=4 2831 B11R1.117 FCOC1CC/C=C\CCC1 d76bf78db4e35de0840b2ddb6f4a7e39 [0,0,0,0,0,2|1,0,1]=4 2832 B11R1.117 FCOC1CCC=CCCC1 9293a6256dafa329fe1244def23a954f [0,0,0,0,0,2|1,0,1]=4 2833 B11R1.117 FCOC1CCCCCCC1 a2ade3c88ec76dedf0ca21d312063bec [0,0,0,0,0,2|1,0,1]=4 2834 B11R1.117 FCO[C@@H]1CCC=CCCC1 ea0ce7f75f17f873666c8628dd20d93d [0,0,0,0,0,2|1,0,1]=4 2835 B11R1.117 FCO[C@H]1/C=C/CCCCC1 5af450eb2c5d32e7478e75ab1b36caeb [0,0,0,0,0,2|1,0,1]=4 2836 B11R1.117 FCO[C@H]1/C=C\CCCCC1 b15eb6b9fe654cf0e1dfb511bf9a6797 [0,0,0,0,0,2|1,0,1]=4 2837 B11R1.117 O=CCN1CCCCCCC1 6fd1e0b32002f01aa833259ebd9f4b4e [0,0,0,0,0,2|2,0,0]=4 2838 B11R1.117 O=CNC1/C=C\CCCCC1 0a820374c9697ae84f9f2147b6caea46 [0,0,0,0,0,2|1,0,0]=3 2839 B11R1.117 O=CNC1CCCCCCC1 5c70e5da68cf4293563a7a3630027bae [0,0,0,0,0,2|1,0,0]=3 2840 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [2,0,1,0,0,0|1,0,0]=4 2841 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [2,0,1,0,0,0|1,0,0]=4 2842 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [2,0,1,0,0,0|1,0,0]=4 2843 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [2,0,1,0,0,0|1,0,0]=4 2844 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [2,0,1,0,0,0|1,0,0]=4 2845 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [2,0,1,0,0,0|1,0,0]=4 2846 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [2,0,1,0,0,0|1,0,0]=4 2847 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [2,0,1,0,0,0|1,0,0]=4 2848 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [2,0,1,0,0,0|1,0,0]=4 2849 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [2,0,1,0,0,0|1,0,0]=4 2850 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [2,0,1,0,0,0|1,0,0]=4 2851 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [2,0,1,0,0,0|1,0,0]=4 2852 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [2,0,1,0,0,0|1,0,0]=4 2853 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [2,0,1,0,0,0|1,0,0]=4 2854 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [2,0,1,0,0,0|1,0,0]=4 2855 B8R0.6 CCC(C)CCNC=O 558581aaa032d77ec9625244f37a5ff2 [1,1,1,0,0,0|1,0,0]=4 2856 B8R0.6 CCC(C)CNCC=O d00b0f81a0565e49d0bc6374b24732a9 [1,1,1,0,0,0|1,0,0]=4 2857 B8R0.6 CCC(C)COCC=O aceccf78c40e809dde74393b828702d0 [1,1,1,0,0,0|1,0,0]=4 2858 B8R0.6 CCC(C)NCCC=O 315da1f228cd97e2635c09e3abdec4cc [1,1,1,0,0,0|1,0,0]=4 2859 B8R0.6 CCC(C)OCCC=O f072f162ee9d24e1b36d781e9499869c [1,1,1,0,0,0|1,0,0]=4 2860 B8R0.6 CCC(O)CNCC=O 54e64a65f08901b7347dcf1abc24dda0 [1,1,1,0,0,0|1,0,0]=4 2861 B8R0.6 CCCCCN(C)C=O 7b286f721a9c6a91b513309dd89d81c0 [1,1,1,0,0,0|1,0,0]=4 2862 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [1,1,1,0,0,0|1,0,0]=4 2863 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [1,1,1,0,0,0|1,0,0]=4 2864 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [1,1,1,0,0,0|1,0,0]=4 2865 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [1,1,1,0,0,0|1,0,0]=4 2866 B8R0.6 CCN(C)CCCC=O 3dbfe5dc5050d94978ae64e6b9604998 [1,1,1,0,0,0|1,0,0]=4 2867 B8R0.6 CC[C@@H](C)COCC=O c20d93b7abbfab6c6470d540cd7a9908 [1,1,1,0,0,0|1,0,0]=4 2868 B8R0.6 CC[C@@H](C)NCCC=O 7e1102ccaaec525d37867fc7a78c5909 [1,1,1,0,0,0|1,0,0]=4 2869 B8R0.6 CC[C@@H](C)OCCC=O 368bcae871eba79a6fc9cfc4628ca9f3 [1,1,1,0,0,0|1,0,0]=4 2870 B8R0.6 CC[C@@H](O)CNCC=O e6c97da33124e077a1a003eda729d8a4 [1,1,1,0,0,0|1,0,0]=4 2871 B8R0.6 CC[C@H](C)CNCC=O 2b0760fdc9935c799222d1a5925541c3 [1,1,1,0,0,0|1,0,0]=4 2872 B8R0.6 CC[C@H](C)COCC=O 96abd8316d02f524642d5d119877059b [1,1,1,0,0,0|1,0,0]=4 2873 B8R0.6 CC[C@H](C)NCCC=O a962ffc26cc849df8f10ed5a3a3f3407 [1,1,1,0,0,0|1,0,0]=4 2874 B8R0.6 CC[C@H](C)OCCC=O 663f558856e5f356903f7f6932db0707 [1,1,1,0,0,0|1,0,0]=4 2875 B8R0.7 CC(C)CCCNC=O bfa0e9e134f210b758698d92c7453fd7 [1,1,1,0,0,0|1,0,0]=4 2876 B8R0.7 CC(C)CCNCC=O 7f31486d3b2c7da3640d8a6a2c90d7ec [1,1,1,0,0,0|1,0,0]=4 2877 B8R0.7 CC(C)CCOCC=O c3d2780edfa1fb6d6d194e7c0384e701 [1,1,1,0,0,0|1,0,0]=4 2878 B8R0.7 CC(C)CNCCC=O c6d6e4834d14f931aabc475254ed07bc [1,1,1,0,0,0|1,0,0]=4 2879 B8R0.7 CC(C)COCCC=O 0606e6b209ad758c0703a3db270b4a8f [1,1,1,0,0,0|1,0,0]=4 2880 B8R0.7 CC(C)OCCCC=O a0a336521d27b867089bba2506cd7e1c [1,1,1,0,0,0|1,0,0]=4 2881 B8R0.7 CC(C)OCCOC=O 1a56f018311ee77835abf65d4ff13081 [1,1,1,0,0,0|1,0,0]=4 2882 B8R0.7 CC(F)COCCC=O 1721f092429c0c96e4348392f19d4316 [1,1,1,0,0,0|1,0,0]=4 2883 B8R0.7 CC(O)CCNCC=O 9cf0036a3003ba539050104e2775dce4 [1,1,1,0,0,0|1,0,0]=4 2884 B8R0.7 CC(O)CNCCC=O a4922223293093343e687f0f88cdb1fd [1,1,1,0,0,0|1,0,0]=4 2885 B8R0.7 CC(S)COCCC=O a7a3c25c049b5dea5756d7eedb9dd76b [1,1,1,0,0,0|1,0,0]=4 2886 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [1,1,1,0,0,0|1,0,0]=4 2887 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [1,1,1,0,0,0|1,0,0]=4 2888 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [1,1,1,0,0,0|1,0,0]=4 2889 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [1,1,1,0,0,0|1,0,0]=4 2890 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [1,1,1,0,0,0|1,0,0]=4 2891 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [1,1,1,0,0,0|1,0,0]=4 2892 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [1,1,1,0,0,0|1,0,0]=4 2893 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [1,1,1,0,0,0|1,0,0]=4 2894 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [1,1,1,0,0,0|1,0,0]=4 2895 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [1,1,1,0,0,0|1,0,0]=4 2896 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [1,1,1,0,0,0|1,0,0]=4 2897 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [1,1,1,0,0,0|1,0,0]=4 2898 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [1,1,1,0,0,0|1,0,0]=4 2899 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [1,1,1,0,0,0|1,0,0]=4 2900 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [1,1,1,0,0,0|1,0,0]=4 2901 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [1,1,1,0,0,0|1,0,0]=4 2902 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [1,1,1,0,0,0|1,0,0]=4 2903 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [1,1,1,0,0,0|1,0,0]=4 2904 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [1,1,1,0,0,0|1,0,0]=4 2905 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [1,1,1,0,0,0|1,0,0]=4 2906 B8R0.7 C[C@@H](F)COCCC=O b2bd9789cc544f1c8e31a32db2a661d9 [1,1,1,0,0,0|1,0,0]=4 2907 B8R0.7 C[C@@H](O)CCNCC=O a9020fd357d1f95ddbb3ee9465870652 [1,1,1,0,0,0|1,0,0]=4 2908 B8R0.7 C[C@@H](O)CNCCC=O 7d91813785f65cc63c3d9cbb3ff309cf [1,1,1,0,0,0|1,0,0]=4 2909 B8R0.7 C[C@H](F)COCCC=O c2ecfe080abe2207069b2c51ff72d431 [1,1,1,0,0,0|1,0,0]=4 2910 B8R0.7 C[C@H](O)CCNCC=O bedbd11e9379692d602aa1c619cc418f [1,1,1,0,0,0|1,0,0]=4 2911 B8R0.7 C[C@H](O)CNCCC=O 450069e6f027c46eb6d29b2b31e57c5c [1,1,1,0,0,0|1,0,0]=4 2912 B8R0.3 CCCN(C)C(C)C=O e6473a1a6d02a5e82b6c038acd576da0 [1,1,1,0,0,0|1,0,0]=4 2913 B8R0.3 CCCN(C)[C@H](C)C=O 3790552277429781db5f53610a8878f0 [1,1,1,0,0,0|1,0,0]=4 2914 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [1,1,1,0,0,0|1,0,0]=4 2915 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [1,1,1,0,0,0|1,0,0]=4 2916 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [1,1,1,0,0,0|1,0,0]=4 2917 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [1,1,1,0,0,0|1,0,0]=4 2918 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [1,1,1,0,0,0|1,0,0]=4 2919 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [1,1,1,0,0,0|1,0,0]=4 2920 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [1,1,1,0,0,0|1,0,0]=4 2921 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [1,1,1,0,0,0|1,0,0]=4 2922 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [1,1,1,0,0,0|1,0,0]=4 2923 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [1,1,1,0,0,0|1,0,0]=4 2924 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [1,1,1,0,0,0|1,0,0]=4 2925 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [1,1,1,0,0,0|1,0,0]=4 2926 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [1,1,1,0,0,0|1,0,0]=4 2927 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [1,1,1,0,0,0|1,0,0]=4 2928 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [1,1,1,0,0,0|1,0,0]=4 2929 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [1,1,1,0,0,0|1,0,0]=4 2930 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [1,1,1,0,0,0|1,0,0]=4 2931 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [1,1,1,0,0,0|1,0,0]=4 2932 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [1,1,1,0,0,0|1,0,0]=4 2933 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [1,1,1,0,0,0|1,0,0]=4 2934 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [1,1,1,0,0,0|1,0,0]=4 2935 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [1,1,1,0,0,0|1,0,0]=4 2936 B8R0.9 CC(C)CCN(C)C=O 516a2a022cb88171d447755eeb173861 [1,1,1,0,0,0|1,0,0]=4 2937 B8R0.9 CC(C)CNC(C)C=O 03449348422393b4e0bdd254036a8d58 [1,1,1,0,0,0|1,0,0]=4 2938 B8R0.9 CC(C)CN[C@H](C)C=O 7c782c131d4d366690f182c8ead9a413 [1,1,1,0,0,0|1,0,0]=4 2939 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [1,1,1,0,0,0|1,0,0]=4 2940 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [1,1,1,0,0,0|1,0,0]=4 2941 B8R0.9 CC(C=O)NC[C@@H](C)O d6dc2629bd4430c3bd67a8f081c11379 [1,1,1,0,0,0|1,0,0]=4 2942 B8R0.9 CC(C=O)NC[C@H](C)O 7869ad4f3cbe7e38dea9b0d6c90c6141 [1,1,1,0,0,0|1,0,0]=4 2943 B8R0.9 CC(C=O)OC[C@@H](C)F 44348d98ecea104d30821f34423bd4e0 [1,1,1,0,0,0|1,0,0]=4 2944 B8R0.9 CC(C=O)OC[C@H](C)F 9637178c90bdbe6a1061955c6d3c749b [1,1,1,0,0,0|1,0,0]=4 2945 B8R0.9 CC(F)COC(C)C=O a88f9eb602b828f938892defccbfe947 [1,1,1,0,0,0|1,0,0]=4 2946 B8R0.9 CC(F)CO[C@H](C)C=O ab2b879912e041805a15c42eb98ff36e [1,1,1,0,0,0|1,0,0]=4 2947 B8R0.9 CC(O)CCN(C)C=O 32af2d18851b8de7c2fbf9dc298410b8 [1,1,1,0,0,0|1,0,0]=4 2948 B8R0.9 CC(O)CNC(C)C=O 383ad87f47185da30b4a1f76d3fc6516 [1,1,1,0,0,0|1,0,0]=4 2949 B8R0.9 CC(O)CN[C@H](C)C=O 8a0a71f4d2dc211ad7713289d588e2ee [1,1,1,0,0,0|1,0,0]=4 2950 B8R0.9 CC(S)COC(C)C=O 3be1d5c17e9ab7f7a6674fa02b1f8eb9 [1,1,1,0,0,0|1,0,0]=4 2951 B8R0.9 CC(S)CO[C@H](C)C=O 6171e06cfb5a5db48bbba1b7f4375842 [1,1,1,0,0,0|1,0,0]=4 2952 B8R0.9 C[C@H](C=O)NC[C@@H](C)O e7c9c037399ac257f04fd04c210bf172 [1,1,1,0,0,0|1,0,0]=4 2953 B8R0.9 C[C@H](C=O)OC[C@@H](C)F 1f5893c2e9eac3fefa5fe404e93fe70a [1,1,1,0,0,0|1,0,0]=4 2954 B8R0.9 C[C@H](F)CO[C@H](C)C=O 02995616d1e99566d5726c66b80d922d [1,1,1,0,0,0|1,0,0]=4 2955 B8R0.9 C[C@H](O)CN[C@H](C)C=O 53b9e59588b92175a902e97408217ade [1,1,1,0,0,0|1,0,0]=4 2956 B8R0.11 CCCCN(C=O)CC cdc74e35a30bfd5fd030759b798d1154 [1,1,1,0,0,0|1,0,0]=4 2957 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [1,1,1,0,0,0|1,0,0]=4 2958 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [1,1,1,0,0,0|1,0,0]=4 2959 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [1,1,1,0,0,0|1,0,0]=4 2960 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [1,1,1,0,0,0|1,0,0]=4 2961 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [1,1,1,0,0,0|1,0,0]=4 2962 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [1,1,1,0,0,0|1,0,0]=4 2963 B8R0.19 CCC(O)CN(C)C=O a5ca11d122e7bb722666ea345a9e6e66 [1,1,1,0,0,0|1,0,0]=4 2964 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [1,1,1,0,0,0|1,0,0]=4 2965 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [1,1,1,0,0,0|1,0,0]=4 2966 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [1,1,1,0,0,0|1,0,0]=4 2967 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [1,1,1,0,0,0|1,0,0]=4 2968 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [1,1,1,0,0,0|1,0,0]=4 2969 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [1,1,1,0,0,0|1,0,0]=4 2970 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [1,1,1,0,0,0|1,0,0]=4 2971 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [1,1,1,0,0,0|1,0,0]=4 2972 B8R0.25 CCOCC(C)(C)C=O afc3613500561350cd2dee2c25c83151 [1,1,1,0,0,0|1,0,0]=4 2973 B8R0.5 CC(C)CC(C)NC=O e933238982de5f0216c89e274f51b483 [1,1,1,0,0,0|1,0,0]=4 2974 B8R0.5 CC(O)CC(C)NC=O 76dc14d6eeea3df57c426497eec6d958 [1,1,1,0,0,0|1,0,0]=4 2975 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [1,1,1,0,0,0|1,0,0]=4 2976 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [1,1,1,0,0,0|1,0,0]=4 2977 B8R0.15 CCC(NC=O)C(C)C 86a28708d965127a5e35d4108bf4acb6 [1,1,1,0,0,0|1,0,0]=4 2978 B8R0.15 CCCN(C=O)C(C)C 9cecb4b84cf566581125ea24b6665c66 [1,1,1,0,0,0|1,0,0]=4 2979 B8R0.15 CCCN(CC)C(=O)C aaa318fb9f18848accdb9fbfd1cf28a8 [1,1,1,0,0,0|1,0,0]=4 2980 B8R0.15 CCNC(CC)C(=O)N 4d4bbfd758d3d1406449d11a7d12f485 [1,1,1,0,0,0|1,0,0]=4 2981 B8R0.15 CCNC(CC)C(=O)O 811bed40f759e9415b190b45b938f031 [1,1,1,0,0,0|1,0,0]=4 2982 B8R0.15 CCN[C@@H](CC)C(=O)N 2ecd0466ce0392cdd810df37e1818d79 [1,1,1,0,0,0|1,0,0]=4 2983 B8R0.15 CCN[C@@H](CC)C(=O)O ad39164e8fc918d5e58308b586171474 [1,1,1,0,0,0|1,0,0]=4 2984 B8R0.15 CCN[C@H](CC)C(=O)O f7f7d1d8bf30d5fe2da91fe96021fe3c [1,1,1,0,0,0|1,0,0]=4 2985 B8R0.15 CCOC(CC)C(=O)N cc881244ff63cfdfd012c91254de1749 [1,1,1,0,0,0|1,0,0]=4 2986 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [1,1,1,0,0,0|1,0,0]=4 2987 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [1,1,1,0,0,0|1,0,0]=4 2988 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [1,1,1,0,0,0|1,0,0]=4 2989 B8R0.15 CC[C@@H](NC=O)[C@@H](C)O dcbfa4659400af50282bc5c1c117a823 [1,1,1,0,0,0|1,0,0]=4 2990 B8R0.15 CC[C@@H](NC=O)[C@H](C)O c5c798676e16c000997108bcf4ad0269 [1,1,1,0,0,0|1,0,0]=4 2991 B8R0.15 CC[C@H](NC=O)[C@@H](C)O 42d26958659efe0c5f860a37090bf7bf [1,1,1,0,0,0|1,0,0]=4 2992 B8R0.16 CCC(C=O)OC(C)C 64971e54da0bc5dd8c61368ff4482427 [1,1,1,0,0,0|1,0,0]=4 2993 B8R0.16 CCC(CC)NC(=O)C 4ed89f720f0f05324cf79f8a98baf869 [1,1,1,0,0,0|1,0,0]=4 2994 B8R0.16 CCN(C=O)CC(C)C a0d4f7e2b09765b708dd4f00ebe2d340 [1,1,1,0,0,0|1,0,0]=4 2995 B8R0.16 CCN(C=O)CC(C)O 2437be87a2e81f295f09928becec40c6 [1,1,1,0,0,0|1,0,0]=4 2996 B8R0.16 CCN(C=O)C[C@H](C)O 1f7ddfd4388d4f78b5345d6a6e9121a1 [1,1,1,0,0,0|1,0,0]=4 2997 B8R0.20 CCC(C=O)N(C)CC 6cd7fea7d913ebc4dd115f632f3cdadb [1,1,1,0,0,0|1,0,0]=4 2998 B8R0.20 CCC(CC)N(C)C=O a695b72f2adae00a27f64539765ed93c [1,1,1,0,0,0|1,0,0]=4 2999 B8R0.31 CCC(C)(CC)NC=O 762a2a667210d0de1a4458d599d6ab2d [1,1,1,0,0,0|1,0,0]=4 3000 B8R1.1 CC1CCN(C1)C=O 802232b85eec3baa7ee60be5f84b67b5 [1,1,0,0,1,0|1,0,0]=4 3001 B8R1.1 O=CN1CCC(C1)F 96284cdc191c7cba11f6a402b8eb117c [1,1,0,0,1,0|1,0,0]=4 3002 B8R1.1 O=CN1CCC(C1)O 36bb47eb3389f04fbd153dabfa4995ad [1,1,0,0,1,0|1,0,0]=4 3003 B8R1.1 O=CN1CC[C@@H](C1)F 008cec7e125285aba69bdec89e8d8fbf [1,1,0,0,1,0|1,0,0]=4 3004 B8R1.1 O=CN1CC[C@@H](C1)O 75171cfcb992bb0c611e45c07ca0c61c [1,1,0,0,1,0|1,0,0]=4 3005 B8R1.1 O=CN1CC[C@H](C1)F 27a4a903f78fd10dcf90e00458f77a70 [1,1,0,0,1,0|1,0,0]=4 3006 B8R1.1 O=CN1CC[C@H](C1)O 4d35040bdf5a1607b14717edf31c1dc0 [1,1,0,0,1,0|1,0,0]=4 3007 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [1,1,0,0,1,0|1,0,0]=4 3008 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [1,1,0,0,1,0|1,0,0]=4 3009 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [1,1,0,0,1,0|1,0,0]=4 3010 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [1,1,0,0,1,0|1,0,0]=4 3011 B8R1.6 O=CNC1CC(C1)O 0f0e219872cea0d90b55ea99cc9bac7d [0,1,0,0,2,0|1,0,0]=4 3012 B8R1.6 O=CN[C@H]1C[C@@H](C1)O 997cc39f2c608872229bb298dcf4a06f [0,1,0,0,2,0|1,0,0]=4 3013 B8R1.6 O=CN[C@H]1C[C@H](C1)O 66b7baee91e54b401401d333ec9a6247 [0,1,0,0,2,0|1,0,0]=4 3014 B8R1.10 C=CCOC1CCC1 3bd9e905931a1a521265c072e91c50d4 [0,1,0,0,2,0|1,0,0]=4 3015 B8R1.10 O=CCNC1CCC1 633de7cc74462f33663be96f40e3e787 [0,1,0,0,2,0|1,0,0]=4 3016 B8R1.10 O=CCOC1CCC1 85f0182d9d378ce0abecab1fd07075c2 [0,1,0,0,2,0|0,0,0]=3 3017 B8R1.10 O=CCOC1COC1 e8dcab4996958c28de59c791e8f90325 [0,1,0,0,2,0|1,0,0]=4 3018 B8R1.10 O=CCOC1CSC1 9f33472b8125f904d8c6a38b30ae6e0f [0,1,0,0,2,0|1,0,0]=4 3019 B8R1.10 O=CNCC1CCC1 8913f5bd1f8df32bedea9e3deac9ac7d [0,1,0,0,2,0|1,0,0]=4 3020 B8R1.13 C[C@@H]1CC[C@@H]1NC=O 832ca8b43ce77bd607bafce837c26208 [0,1,0,0,2,0|1,0,0]=4 3021 B8R1.13 C[C@@H]1CC[C@H]1NC=O d2720f62c3566f7476bb8bd3bbb32a7b [0,1,0,0,2,0|1,0,0]=4 3022 B8R1.13 O=CNC1CCC1F e99322470d72654c68e8cc3b0db230df [0,1,0,0,2,0|1,0,0]=4 3023 B8R1.13 O=CNC1CCC1O 77e73a0cb4e5ad431641f250066379fd [0,1,0,0,2,0|1,0,0]=4 3024 B8R1.13 O=CN[C@@H]1CC[C@@H]1O 9be330af07ef7a68a61722f62097919e [0,1,0,0,2,0|1,0,0]=4 3025 B8R1.13 O=CN[C@@H]1CC[C@H]1O a74500781f0881ab291899b8727dffc0 [0,1,0,0,2,0|1,0,0]=4 3026 B8R1.13 O=CN[C@H]1CC[C@@H]1O f6c564b97b260290e49358d20aaec1a0 [0,1,0,0,2,0|1,0,0]=4 3027 B8R1.13 O=CN[C@H]1CC[C@H]1O 126bd3309ad6ca2ddfb41ff376dce6e2 [0,1,0,0,2,0|1,0,0]=4 3028 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,1,0,0,2,0|1,0,0]=4 3029 B8R1.66 CC1(CCC1)NC=O c4f5dcbe0c8abcae670d3c633c591542 [0,1,0,0,2,0|1,0,0]=4 3030 B10R0.6 CC(=O)OC(C)NCCCCl 26d495ae34fe5b50a42ae5e67347681e [0,2,1,0,0,0|1,0,0]=4 3031 B10R0.6 CC(=O)OC(C)NCCCO 4bc7a14817cf48212ab7f69c2827e7d9 [0,2,1,0,0,0|1,0,0]=4 3032 B10R0.6 CC(=O)OC(C)OCCCF 05a1a7226203404b59b7b57615cfbd82 [0,2,1,0,0,0|1,0,0]=4 3033 B10R0.6 CC(=O)OC(C)OCCCS 4f87d92971fe1eab5e3c66a80b79b76f [0,2,1,0,0,0|1,0,0]=4 3034 B10R0.6 CCCCCC(C)NC(=O)C c171b2058cf01627dcbe5546a9adf771 [0,2,1,0,0,0|1,0,0]=4 3035 B10R0.6 CCCCC[C@H](C)NC(=O)C 3ba852cb007a73bb1c521783cc9a5f9b [0,2,1,0,0,0|1,0,0]=4 3036 B10R0.6 CCCCNC(C)CC(=O)O c633822bdd37960050b77a4c542ea52f [0,2,1,0,0,0|1,0,0]=4 3037 B10R0.6 CCCCNC(C)OC(=O)C ebbdec824087aa88b4b4bc6265d4cb38 [0,2,1,0,0,0|0,0,0]=3 3038 B10R0.6 CCCCN[C@@H](C)CC(=O)O fb7944b4d683d296fe4ee273d84f1842 [0,2,1,0,0,0|1,0,0]=4 3039 B10R0.6 CCCCN[C@H](C)CC(=O)O effa4168fb691284724307507367e076 [0,2,1,0,0,0|1,0,0]=4 3040 B10R0.6 CCCCOC(C)CC(=O)N c3a32793bdcb30080a8edc904272094b [0,2,1,0,0,0|1,0,0]=4 3041 B10R0.6 CCCCOC(C)CC(=O)O 7d385d82783db9ce90ee671d43dd6564 [0,2,1,0,0,0|1,0,0]=4 3042 B10R0.6 CCCCOC(C)OC(=O)C 998d73eb0cc87695df1b206f00c15219 [0,2,1,0,0,0|0,0,0]=3 3043 B10R0.6 CCCCO[C@@H](C)CC(=O)O e0b1114df9792477e60a032af290ecc0 [0,2,1,0,0,0|1,0,0]=4 3044 B10R0.6 CCCCO[C@H](C)CC(=O)O 72d7a585b30718443ba3a12d0dc6335b [0,2,1,0,0,0|1,0,0]=4 3045 B10R0.6 CCCOCC(C)NC(=O)C 256e16fb224ac5487826e7e602d7ecb5 [0,2,1,0,0,0|1,0,0]=4 3046 B10R0.6 CCCOC[C@@H](C)NC(=O)C 02b867d1dcada6257e27f40901d68736 [0,2,1,0,0,0|1,0,0]=4 3047 B10R0.6 COCCNC(C)OC(=O)C 037349f1a5a6825b39cad1c44d90aad3 [0,2,1,0,0,0|1,0,0]=4 3048 B10R0.6 COCCOC(C)OC(=O)C 0456dfef3b32715e2c380df67ceaa70e [0,2,1,0,0,0|1,0,0]=4 3049 B10R0.6 CSCCNC(C)OC(=O)C 66f1161f4233855af8cbcc9cacf542f2 [0,2,1,0,0,0|1,0,0]=4 3050 B10R0.6 CSCCOC(C)OC(=O)C e0273c5077d4f522a38d659eff6fb81d [0,2,1,0,0,0|1,0,0]=4 3051 B10R0.18 C#CC(=O)NC(C)CCCC 6189d4e2d11f24e7e683f367f7d7e167 [0,2,1,0,0,0|1,0,0]=4 3052 B10R0.18 C#CC(=O)N[C@H](C)CCCC 74c43b28fa9b2c2c9e3f65e3a62551e8 [0,2,1,0,0,0|1,0,0]=4 3053 B10R0.18 C=C(C=O)OC(C)CCCC e4b6576cb2f7b168aaa9026054c321dd [0,2,1,0,0,0|0,0,0]=3 3054 B10R0.18 C=CC(=O)NC(C)CCCC 400b89c41d7d8fd0f6aa65d013dc84e6 [0,2,1,0,0,0|1,0,0]=4 3055 B10R0.18 C=CC(=O)N[C@H](C)CCCC 64337f26e4b5b890f885f8c97e81fb00 [0,2,1,0,0,0|1,0,0]=4 3056 B10R0.18 C=CC(C)OC(C)CCCC f527823525e57450e1f35e94c5c63765 [0,2,1,0,0,0|1,0,0]=4 3057 B10R0.18 C=CC(C)O[C@@H](C)CCCC 1aa06e8f918499183a31879321293210 [0,2,1,0,0,0|1,0,0]=4 3058 B10R0.18 C=CC(C)O[C@H](C)CCCC f1502bb0c8aa81b6b029d33940f84d3c [0,2,1,0,0,0|1,0,0]=4 3059 B10R0.18 C=C[C@H](C)OC(C)CCCC 6bf997945f02841fa78109b066b7094b [0,2,1,0,0,0|1,0,0]=4 3060 B10R0.18 CCC(C)CC(C)NCC=O 84e5847a15c422d100b4a916e4b1bad6 [0,2,1,0,0,0|1,0,0]=4 3061 B10R0.18 CCCCC(C)NC(=O)C=O 276e6bf668bd2b426ea9a07f37be320f [0,2,1,0,0,0|1,0,0]=4 3062 B10R0.18 CCCCC(C)NC(=O)CC f811b85a8d7ddd08f545723202074840 [0,2,1,0,0,0|1,0,0]=4 3063 B10R0.18 CCCCC(C)NC(=O)CF d0c1e8fd298fa87644a77dd7ffaab0d0 [0,2,1,0,0,0|1,0,0]=4 3064 B10R0.18 CCCCC(C)NC(=O)CO 8fb0c98abcb6f3d6cfa770bb2e2f5738 [0,2,1,0,0,0|1,0,0]=4 3065 B10R0.18 CCCCC(C)NC(=O)CS 57ae11e6887affc69d93410205e21dd4 [0,2,1,0,0,0|1,0,0]=4 3066 B10R0.18 CCCCC(C)NC(C)C=O 923fee2ba317d157b4bf12931802a01e [0,2,1,0,0,0|1,0,0]=4 3067 B10R0.18 CCCCC(C)N[C@H](C)C=O a5b3458fb33324edb32ff1269fe401ae [0,2,1,0,0,0|1,0,0]=4 3068 B10R0.18 CCCCC(C)OC(C)C=O ce6432608323bdc4e486b6a800db1f65 [0,2,1,0,0,0|0,0,0]=3 3069 B10R0.18 CCCCC(C)O[C@H](C)C=O 0fabcccdda0d54eed3406d0a8847537e [0,2,1,0,0,0|0,0,0]=3 3070 B10R0.18 CCCC[C@@H](C)NC(=O)C=O 9a43063172663128219700f7313df6a8 [0,2,1,0,0,0|1,0,0]=4 3071 B10R0.18 CCCC[C@@H](C)NC(=O)CC 46bea22625ea6b2c36250468f777664f [0,2,1,0,0,0|1,0,0]=4 3072 B10R0.18 CCCC[C@@H](C)NC(=O)CF e72827d8cbdafaa4b45d15ceb95a5c26 [0,2,1,0,0,0|1,0,0]=4 3073 B10R0.18 CCCC[C@@H](C)NC(=O)CO c6508d24c14a6e10519c52d9dd7dd887 [0,2,1,0,0,0|1,0,0]=4 3074 B10R0.18 CCCC[C@@H](C)NC(=O)CS a7fb836a0730bac6653ec857e8ec1fbe [0,2,1,0,0,0|1,0,0]=4 3075 B10R0.18 CCCC[C@@H](C)NC(C)C=O 73531ad042053976d0fd69958e07a825 [0,2,1,0,0,0|1,0,0]=4 3076 B10R0.18 CCCC[C@@H](C)N[C@H](C)C=O 0a58dcfd0772b79e8076f388b633b73f [0,2,1,0,0,0|1,0,0]=4 3077 B10R0.18 CCCC[C@@H](C)OC(C)C=O 79a4622ff886aa5f6820851e46567a7b [0,2,1,0,0,0|0,0,0]=3 3078 B10R0.18 CCCC[C@@H](C)O[C@H](C)C=O 45896b9481c065d6b5400983e1223a0a [0,2,1,0,0,0|0,0,0]=3 3079 B10R0.18 CCCC[C@H](C)OC(C)C=O 1f50ae10aefc608ec921423ca67f3fca [0,2,1,0,0,0|0,0,0]=3 3080 B10R0.18 CCCC[C@H](C)O[C@H](C)C=O 59d5dd855ef7255cae76769395367426 [0,2,1,0,0,0|0,0,0]=3 3081 B10R0.18 CCCNC(C)OC(=O)OC 1378485bbc965ea560fb95dbc51d8b60 [0,2,1,0,0,0|1,0,0]=4 3082 B10R0.18 CCCOC(C)OC(=O)OC b66533963ffb3c85b643ed7b042b2c1e [0,2,1,0,0,0|1,0,0]=4 3083 B10R0.18 CCOCC(C)OC(C)C=O 2a5c1aa7b7f4bfc7a42449b3db29a945 [0,2,1,0,0,0|1,0,0]=4 3084 B10R0.18 CCOCC(C)O[C@H](C)C=O 846103ae6971ee67649ec26ff45c74f5 [0,2,1,0,0,0|1,0,0]=4 3085 B10R0.18 COC(C)CC(C)OCC=O da4148f1bcd55dc336f03dee54e73e9d [0,2,1,0,0,0|1,0,0]=4 3086 B10R0.18 COCCC(C)OC(C)C=O d58c1da64b22fe0aee121584d55481be [0,2,1,0,0,0|1,0,0]=4 3087 B10R0.18 COCCC(C)O[C@H](C)C=O f3e5ea5f86e0c355bf66051c3ac8eac1 [0,2,1,0,0,0|1,0,0]=4 3088 B10R0.18 CSCCC(C)OC(C)C=O 61081f3e00e6224a0cfc1bcca0e55532 [0,2,1,0,0,0|1,0,0]=4 3089 B10R0.18 CSCCC(C)O[C@H](C)C=O 2f7aeaae7ad5a6effa885252053fcdab [0,2,1,0,0,0|1,0,0]=4 3090 B10R0.32 CC(C)CC(O)C(C)NC=O 727d904afc7a096b6c317228ff828f5b [0,2,1,0,0,0|1,0,0]=4 3091 B10R0.32 CCCN(C)C(C)OC(=O)C 9d66dea7a141f56932cd0739dc723b13 [0,2,1,0,0,0|1,0,0]=4 3092 B10R0.44 CCC(C)CC(C)NC(=O)C 5ade6c1e802ae39e81902881a78ed51d [0,2,1,0,0,0|1,0,0]=4 3093 B10R0.44 CCC(C)NC(C)OC(=O)C 21f44caab0f9aee97c7655941c922d93 [0,2,1,0,0,0|1,0,0]=4 3094 B10R0.44 CCC(C)OC(C)OC(=O)C 580526392fcfa8811f28d598b42c1892 [0,2,1,0,0,0|1,0,0]=4 3095 B10R0.44 CC[C@@H](C)NC(C)OC(=O)C c5c4ecf524c357a3fd36147ef211c0c8 [0,2,1,0,0,0|1,0,0]=4 3096 B10R0.44 CC[C@@H](C)OC(C)OC(=O)C 13ff110ce93a8fddfe118ee765632fc0 [0,2,1,0,0,0|1,0,0]=4 3097 B10R0.44 CC[C@H](C)NC(C)OC(=O)C c30c814f5f222308a7c0d476789de7b3 [0,2,1,0,0,0|1,0,0]=4 3098 B10R0.44 CC[C@H](C)OC(C)OC(=O)C f55b296ac345c995e3ddd243d3962967 [0,2,1,0,0,0|1,0,0]=4 3099 B10R0.87 CCCCC(CO)NC(=O)C 68902bbed5107db3b1d23a1d6c7c5465 [0,2,1,0,0,0|1,0,0]=4 3100 B10R0.87 CCCC[C@@H](CO)NC(=O)C 7b16a3c9ba202ed7d0ef89f7138c1e17 [0,2,1,0,0,0|1,0,0]=4 3101 B10R0.87 CCCC[C@H](CO)NC(=O)C c990e71bf827f4a94486963099a00e2c [0,2,1,0,0,0|1,0,0]=4 3102 B10R0.96 CC(=O)NC(C)CCC(C)C 7a95a4e748f2f776d1f918a63af59a1d [0,2,1,0,0,0|1,0,0]=4 3103 B10R0.96 CC(=O)OC(C)NCC(C)C 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a475446fa0e4e38dbc246d8faf0aaff6 [0,2,1,0,0,0|1,0,0]=4 3126 B10R0.91 C=CCOC(C)CCCCC 1bf318c09ab551e6504949fb18974eac [0,2,1,0,0,0|1,0,0]=4 3127 B10R0.91 C=CCOC(C)COCCC 3a6f621ee624fcf93b19d9f35eabfaeb [0,2,1,0,0,0|1,0,0]=4 3128 B10R0.91 C=CCOCC(C)CCCC 3ec9993cec32a08bbeccf4049ad0cb69 [0,2,1,0,0,0|1,0,0]=4 3129 B10R0.91 C=CCO[C@@H](C)CCCCC 2ee769b365c5d7600b33a7d7cbc56689 [0,2,1,0,0,0|1,0,0]=4 3130 B10R0.91 C=CCO[C@H](C)CCCCC ee38a79dc4d8a69b1a244e1fe20b43b0 [0,2,1,0,0,0|1,0,0]=4 3131 B10R0.91 CC=CCOC(C)CCCC 7921c31dab6b7d7442432f4b9b30ae0d [0,2,1,0,0,0|1,0,0]=4 3132 B10R0.91 CCC#CCC(C)OCC=O 8910afc954e98444ddd55ee9279e8b0f [0,2,1,0,0,0|0,0,1]=4 3133 B10R0.91 CCCCC(C)COCC=O 36ef856f1098599e71454e8f2547c24b [0,2,1,0,0,0|0,0,0]=3 3134 B10R0.91 CCCCC(C)NCCC=O 40ce8e1086866b528d60f936aad961c1 [0,2,1,0,0,0|1,0,0]=4 3135 B10R0.91 CCCCC(C)OC/C=C/Cl 7d60743b62c093c6ed22578d6157f14f [0,2,1,0,0,0|1,0,0]=4 3136 B10R0.91 CCCCC(C)OC/C=C\Cl b7bd7899f5dbcc8986a3c8f6b6268856 [0,2,1,0,0,0|1,0,0]=4 3137 B10R0.91 CCCCC(C)OCC=CCl a87ac4d05c8fb3711555929de0475c36 [0,2,1,0,0,0|1,0,0]=4 3138 B10R0.91 CCCCC(C)OCCC=O 76fbd1fdf47c15d775a1f3fca8978604 [0,2,1,0,0,0|0,0,0]=3 3139 B10R0.91 CCCCCC(C)NCC=O 150b09f14e530a104818daa6781cb9de [0,2,1,0,0,0|1,0,0]=4 3140 B10R0.91 CCCCCC(C)OCC=O b8c5585eaae6e000325f96773525d1b7 [0,2,1,0,0,0|0,0,0]=3 3141 B10R0.91 CCCCC[C@@H](C)OCC=O 5d597290901426621601c215c0b29b48 [0,2,1,0,0,0|0,0,0]=3 3142 B10R0.91 CCCCC[C@H](C)NCC=O 911cb71997224f1438cb59b3616f9c1c [0,2,1,0,0,0|1,0,0]=4 3143 B10R0.91 CCCCC[C@H](C)OCC=O a46961302ad7e0a9ddd3f577a4f840a9 [0,2,1,0,0,0|0,0,0]=3 3144 B10R0.91 CCCC[C@@H](C)NCCC=O 0c93ef92112a410b71140e66015378df [0,2,1,0,0,0|1,0,0]=4 3145 B10R0.91 CCCC[C@@H](C)OC/C=C/Cl 0b489807c758f30bd4729ba4f65c6a78 [0,2,1,0,0,0|1,0,0]=4 3146 B10R0.91 CCCC[C@@H](C)OC/C=C\Cl 6df4b791ae088d7d59040087c13ef79e [0,2,1,0,0,0|1,0,0]=4 3147 B10R0.91 CCCC[C@@H](C)OCCC=O a17495e0f5edced6344ab6c3878e836b [0,2,1,0,0,0|0,0,0]=3 3148 B10R0.91 CCCC[C@H](C)OC/C=C/Cl 4b665720a2871671352d6a787c9c0804 [0,2,1,0,0,0|1,0,0]=4 3149 B10R0.91 CCCC[C@H](C)OC/C=C\Cl 206be97af1cef8085416924f684746da [0,2,1,0,0,0|1,0,0]=4 3150 B10R0.91 CCCC[C@H](C)OCCC=O 83604dea42bf0e08bde0ac09e479fc47 [0,2,1,0,0,0|0,0,0]=3 3151 B10R0.91 CCCOCC(C)OCC=O c95127e966c76bb9a77dca35b02d4518 [0,2,1,0,0,0|0,0,0]=3 3152 B10R0.91 CCOCC(C)COCC=O 40ba253f345a476706f3d4f41c33669e [0,2,1,0,0,0|1,0,0]=4 3153 B10R0.91 CCOCC(C)OCCC=O 4b48f07fc9ddf14951201ab5bd2a3c8e [0,2,1,0,0,0|1,0,0]=4 3154 B10R0.91 COCCC(C)OCCC=O 36637586d41a56a3c17149f30e2222aa [0,2,1,0,0,0|1,0,0]=4 3155 B10R0.91 CSCCC(C)OCCC=O a04b295bb271652fa4e65df984c1f1f8 [0,2,1,0,0,0|1,0,0]=4 3156 B10R0.156 CC(C)(CCCCO)NC=O 2e8683526d9424016eab3ce865a2ae70 [0,2,1,0,0,0|1,0,0]=4 3157 B10R0.156 CCCOCC(C)(C)NC=O 17b8a71e08e8f5d8e88c02ee730acbd0 [0,2,1,0,0,0|1,0,0]=4 3158 B10R0.16 C#CC(CCCC)OCC=O c26459b3135d4ec5f0d7d4e7b45d838e [0,2,1,0,0,0|0,0,1]=4 3159 B10R0.16 C=CC(CCCC)OCC=O caf7029bcd8ba86ba057f8c38cadac0f [0,2,1,0,0,0|0,0,1]=4 3160 B10R0.16 C=CCOC(CC)CCCC f166d85f48d34c630103f8055d35a701 [0,2,1,0,0,0|1,0,0]=4 3161 B10R0.16 CCCCC(CC)CNC=O 63f1fd025f35a258b0803ba73f3e1a72 [0,2,1,0,0,0|1,0,0]=4 3162 B10R0.16 CCCCC(CC)OCC=O 38b4833ef281acf6c43e55daafea93fe [0,2,1,0,0,0|0,0,0]=3 3163 B10R0.16 CCCCC(CO)NCC=O 3899aaed7e1518bce7c3997baa9700cf [0,2,1,0,0,0|1,0,0]=4 3164 B10R0.16 CCCC[C@@H](CO)NCC=O cea4dfdef157314be4b23bd7e3ba6842 [0,2,1,0,0,0|1,0,0]=4 3165 B10R0.16 CCCC[C@H](CO)NCC=O 7f1f7b9f8850b17cf0eecaa3244ec100 [0,2,1,0,0,0|1,0,0]=4 3166 B10R0.78 C=C(Br)COC(C)CCCC 81811f3255ba4b136d81529ce094b973 [0,2,1,0,0,0|1,0,0]=4 3167 B10R0.78 C=C(Br)CO[C@@H](C)CCCC d7fd141b7b49af0fae1f375d397083e7 [0,2,1,0,0,0|1,0,0]=4 3168 B10R0.78 C=C(Br)CO[C@H](C)CCCC 4467be3057b0fc2d19c437a4552558f2 [0,2,1,0,0,0|1,0,0]=4 3169 B10R0.78 C=C(C)COC(C)CCCC 692c7a1b9bc750f50e82860bdeba4de0 [0,2,1,0,0,0|1,0,0]=4 3170 B10R0.78 C=C(C)CO[C@@H](C)CCCC c5fbd67f0437c11b4f610c50ed1faf17 [0,2,1,0,0,0|1,0,0]=4 3171 B10R0.78 C=C(C)CO[C@H](C)CCCC ddb31cd54f90e0a80d0801b61c2986ef [0,2,1,0,0,0|1,0,0]=4 3172 B10R0.78 C=C(Cl)COC(C)CCCC f2d8a798ba1f562cf949fc65a13d3776 [0,2,1,0,0,0|1,0,0]=4 3173 B10R0.78 C=C(Cl)CO[C@@H](C)CCCC 870cd522532a6f8a98563e02ac4eff93 [0,2,1,0,0,0|1,0,0]=4 3174 B10R0.78 C=C(Cl)CO[C@H](C)CCCC 1263c0b7e8aea0ae7251b73355e297f0 [0,2,1,0,0,0|1,0,0]=4 3175 B10R0.78 C=C(I)COC(C)CCCC cac87331bd48f3c30bf739058ea93ddd [0,2,1,0,0,0|1,0,0]=4 3176 B10R0.78 C=CCOC(C)CCC(C)C f2e1d356a0bc2e95ea84a51b85968ee4 [0,2,1,0,0,0|1,0,0]=4 3177 B10R0.78 CC(C)CCC(C)NCC=O fdfe3a5084ae37ecfb9ac0088839a869 [0,2,1,0,0,0|1,0,0]=4 3178 B10R0.78 CC(C)CCC(C)OCC=O e09409a6124d8e085ac1756c2e94a524 [0,2,1,0,0,0|0,0,0]=3 3179 B10R0.78 CC(C)OCC(C)OCC=O 185c6ff3701e6acfbbea064f36da35d5 [0,2,1,0,0,0|1,0,0]=4 3180 B10R0.78 CC(C)OC[C@H](C)OCC=O d470050e1111923b2ad998194b937f9f [0,2,1,0,0,0|1,0,0]=4 3181 B10R0.78 CC(CCN(C)C)OCC=O ff245d09bbd2d78da899a6fc415d82dd [0,2,1,0,0,0|1,0,0]=4 3182 B10R0.78 CCCCC(C)NCC(=O)C aa0d7dc1e61d96887b1e23e6e9b1d801 [0,2,1,0,0,0|1,0,0]=4 3183 B10R0.78 CCCCC(C)NCC(=O)N 176470242cf4f5ef2e154a227705a141 [0,2,1,0,0,0|1,0,0]=4 3184 B10R0.78 CCCCC(C)NCC(=O)O ca8ad46e018df2faa99dbf908bd443e1 [0,2,1,0,0,0|1,0,0]=4 3185 B10R0.78 CCCCC(C)OCC(=O)C 1853e26f374aa2da1da8ca98875b6081 [0,2,1,0,0,0|0,0,0]=3 3186 B10R0.78 CCCCC(C)OCC(=O)N ffd58cfd46c48f74e3a7daf65636db71 [0,2,1,0,0,0|0,0,0]=3 3187 B10R0.78 CCCCC(C)OCC(=O)O a9747b2dc6b524106d5700f387a2a510 [0,2,1,0,0,0|0,0,0]=3 3188 B10R0.78 CCCCC(C)OCC(=S)N b69d4fed531a903c622a2540995f06bc [0,2,1,0,0,0|0,1,0]=4 3189 B10R0.78 CCCCC(C)OCS(=O)O 93f7d7b5545c84594d88971bfad4d13f [0,2,1,0,0,0|0,0,1]=4 3190 B10R0.78 CCCCC(C)OC[N+](=O)[O-] 07d4e13153ad67b6d0353b212e3aa0f7 [0,2,1,0,0,0|0,0,1]=4 3191 B10R0.78 CCCCN(C)COC(=O)C 1d2ebf38414d0b74d7c72413956a5ba7 [0,2,1,0,0,0|1,0,0]=4 3192 B10R0.78 CCCC[C@@H](C)NCC(=O)N f3619adc95ed56f1a5e04d3cfe0a5195 [0,2,1,0,0,0|1,0,0]=4 3193 B10R0.78 CCCC[C@@H](C)NCC(=O)O cdf353e5bc7239425db33062b64cab42 [0,2,1,0,0,0|1,0,0]=4 3194 B10R0.78 CCCC[C@@H](C)OCC(=O)N 728c4bfc1859e8955976444b5005cc9f [0,2,1,0,0,0|0,0,0]=3 3195 B10R0.78 CCCC[C@@H](C)OCC(=O)O fcdde6a6446f16e594fd1de5903e1b1b [0,2,1,0,0,0|0,0,0]=3 3196 B10R0.78 CCCC[C@@H](C)OC[N+](=O)[O-] e1cd6a77ebadaa492706fdb7f9a7fa88 [0,2,1,0,0,0|0,0,1]=4 3197 B10R0.78 CCCC[C@H](C)OCC(=O)N 00a0583900b94345286d5c7c32f13dc6 [0,2,1,0,0,0|0,0,0]=3 3198 B10R0.78 CCCC[C@H](C)OCC(=O)O 7b88542caf2c6272fa28507597d32d4c [0,2,1,0,0,0|0,0,0]=3 3199 B10R0.78 CCCC[C@H](C)OC[N+](=O)[O-] 4e0bb04e98a65df8065b1eda4b062b8b [0,2,1,0,0,0|0,0,1]=4 3200 B10R0.78 CCCOC(C)COC(=O)C 607b1670d79801d88d687c38012c337b [0,2,1,0,0,0|1,0,0]=4 3201 B10R0.78 CCOCC(C)OCC(=O)N 78753113ac128fc7758306ac0df87fdf [0,2,1,0,0,0|1,0,0]=4 3202 B10R0.78 CCOCC(C)OCC(=O)O 4340885b9dc9f87664ce91ece35c53ed [0,2,1,0,0,0|1,0,0]=4 3203 B10R0.78 CCOC[C@@H](C)COC(=O)C 18b7cbf1bad58efd0e2ead3bc6fbee16 [0,2,1,0,0,0|1,0,0]=4 3204 B10R0.78 COCCC(C)OCC(=O)N ff8eb675624df90b55370802f1930eac [0,2,1,0,0,0|1,0,0]=4 3205 B10R0.78 COCCC(C)OCC(=O)O 76ca78191cee40c1b9b8fb4f37b53d72 [0,2,1,0,0,0|1,0,0]=4 3206 B10R0.78 CSCCC(C)OCC(=O)N 7cc5b7e9493c3c5f8c2bc7affe68a9fc [0,2,1,0,0,0|1,0,0]=4 3207 B10R0.78 CSCCC(C)OCC(=O)O 7e21c7b86c9c1278fd86356500849ab4 [0,2,1,0,0,0|1,0,0]=4 3208 B10R0.109 CC(CCC(C)(C)C)NC=O 598170e5ae1ccd06c0f5bc509f61d66f [0,2,1,0,0,0|1,0,0]=4 3209 B10R0.4 C=C(Br)COCCCCCC dd72666212807c8ae20cc4e5d80424cb [0,2,1,0,0,0|1,0,0]=4 3210 B10R0.4 C=C(C)CCOCCOC=O 0951eb54268cfe01d4f95bc25b713b88 [0,2,1,0,0,0|0,0,1]=4 3211 B10R0.4 C=C(C)COCCCCCC 18580082a3e432d96826bd208c01f2c4 [0,2,1,0,0,0|1,0,0]=4 3212 B10R0.4 C=C(Cl)COCCCCCC 90c6c4185c44a77006fc9e2e499a0eab [0,2,1,0,0,0|1,0,0]=4 3213 B10R0.4 C=C(F)COCCCCCC 14d179349839635633c1a8bbe576d8e0 [0,2,1,0,0,0|1,0,0]=4 3214 B10R0.4 C=C(I)COCCCCCC 122b373be56fb0f4806cbe68ff87c42a [0,2,1,0,0,0|1,0,0]=4 3215 B10R0.4 C=CCOCCCCC(C)C 563ecc129222b5a92550f5268713450a [0,2,1,0,0,0|1,0,0]=4 3216 B10R0.4 C=COCCCNCC(C)C bbe4ba85c488adb7bdb66b8de05c6abd [0,2,1,0,0,0|1,0,0]=4 3217 B10R0.4 C=COCCCNCC(C)O ce151b719221336f2d6af72d0d1ade5c [0,2,1,0,0,0|1,0,0]=4 3218 B10R0.4 C=COCCCNC[C@@H](C)O 14a0d69c53abd329c60f65782fde45d6 [0,2,1,0,0,0|1,0,0]=4 3219 B10R0.4 C=COCCCNC[C@H](C)O 265cf2e5b115d57df8854028ecdb9f8a [0,2,1,0,0,0|1,0,0]=4 3220 B10R0.4 C=COCCNCCC(C)C ab4c4698ae0ce1bd22e07f53dc469d07 [0,2,1,0,0,0|1,0,0]=4 3221 B10R0.4 C=COCCNCCC(C)O 33fff92aaa6b89769214f86dd527c965 [0,2,1,0,0,0|1,0,0]=4 3222 B10R0.4 C=COCCOCCC(C)C 24885ea564b308730a39e174d04dd727 [0,2,1,0,0,0|1,0,0]=4 3223 B10R0.4 CC(=O)CCCCOCC=O 2df6a73c930107619b2607a0e979711f [0,2,1,0,0,0|0,0,1]=4 3224 B10R0.4 CC(=O)CCOCCOC=O 104c482006349fdbbf411cfdc9db4b72 [0,2,1,0,0,0|0,0,1]=4 3225 B10R0.4 CC(=O)COCCCCCF 7aec6ce84a2c3f216e8ae40d950f6334 [0,2,1,0,0,0|1,0,0]=4 3226 B10R0.4 CC(=O)NCCCCCCCl f93e4eee74ea26870e48ebdfc4f07177 [0,2,1,0,0,0|1,0,0]=4 3227 B10R0.4 CC(=O)NCCCCCCO f4c6533638e4e2bcf3850e47e46df271 [0,2,1,0,0,0|1,0,0]=4 3228 B10R0.4 CC(=O)OCCCCOCF a6ecf178f253a13fd8b9cfaafe1c5ad5 [0,2,1,0,0,0|1,0,0]=4 3229 B10R0.4 CC(=O)OCCCNCCBr 45a0a8174cda65b2e44638eae2c64930 [0,2,1,0,0,0|1,0,0]=4 3230 B10R0.4 CC(=O)OCCCNCCF fc4e3af37c2a7f8d6298a7e753d83411 [0,2,1,0,0,0|1,0,0]=4 3231 B10R0.4 CC(=O)OCCCNCCI b0edef5bff44063cb018d810c54c48f6 [0,2,1,0,0,0|1,0,0]=4 3232 B10R0.4 CC(=O)OCCCNCCO e2803970c3f8d243d9acff5748815b6d [0,2,1,0,0,0|1,0,0]=4 3233 B10R0.4 CC(=O)OCCCNCCS 89c9ea4e3ec4c55fa7a152a453b47394 [0,2,1,0,0,0|1,0,0]=4 3234 B10R0.4 CC(=O)OCCCOCCF 5f3f1ac838e36ba2208c4cb9b2008f58 [0,2,1,0,0,0|1,0,0]=4 3235 B10R0.4 CC(=O)OCCCOCCS a1361bf0f855c56236284cad6a3785a9 [0,2,1,0,0,0|1,0,0]=4 3236 B10R0.4 CC(=O)OCCNCCCCl 280b1e41ef151e8cbea1eb2b99e4ff17 [0,2,1,0,0,0|1,0,0]=4 3237 B10R0.4 CC(=O)OCCNCCCO 51fe93c4d3aab91af9bdaa8c00548018 [0,2,1,0,0,0|1,0,0]=4 3238 B10R0.4 CC(=O)OCCOCCCF 2a933cd1cb7eefce70344b2c7e8690c8 [0,2,1,0,0,0|1,0,0]=4 3239 B10R0.4 CC(=O)OCCOCCCS 7e37feca2385a7a728603133e92174e3 [0,2,1,0,0,0|1,0,0]=4 3240 B10R0.4 CC(=O)OCNCCCCCl c6ce680dd8c75299bd47ddb4bc10ea8e [0,2,1,0,0,0|1,0,0]=4 3241 B10R0.4 CC(=O)OCNCCCCO 751748afd380707c2c1db4ffae00d8f0 [0,2,1,0,0,0|1,0,0]=4 3242 B10R0.4 CC(=O)OCNCCCCS 89f792939757bf4a8c9cbb69115e249e [0,2,1,0,0,0|1,0,0]=4 3243 B10R0.4 CC(=O)OCOCCCCF 1c9cd9bca1f3bbf754de3fe868d711b8 [0,2,1,0,0,0|1,0,0]=4 3244 B10R0.4 CC(=O)OCOCCCCS 33c7cb81f6187c0519a6e6fbc3514b90 [0,2,1,0,0,0|1,0,0]=4 3245 B10R0.4 CC(C)CCCCCNC=O 241cd0226ae475c9be6d599bf338beb0 [0,2,1,0,0,0|1,0,0]=4 3246 B10R0.4 CC(C)CCCCOCC=O 59aafef0745a898af9858f18267b5b4a [0,2,1,0,0,0|0,0,0]=3 3247 B10R0.4 CC(C)CCCNCCC=O 7c4afadf5bc1b74ad04967af61eff995 [0,2,1,0,0,0|1,0,0]=4 3248 B10R0.4 CC(C)CCCOCCC=O c80a126c6e8bd4c58a2b1ff8881f26c2 [0,2,1,0,0,0|1,0,0]=4 3249 B10R0.4 CC(C)CCNCCCC=O 538feaabe07ab109f0bd87ebe9c0815f [0,2,1,0,0,0|1,0,0]=4 3250 B10R0.4 CC(C)CCOCCCC=O 6a43417d5a08c6d5588e290a5c76bbb5 [0,2,1,0,0,0|1,0,0]=4 3251 B10R0.4 CC(C)CCOCCNC=O 15d9dda46e317a1aa74ab9f015175fc8 [0,2,1,0,0,0|1,0,0]=4 3252 B10R0.4 CC(C)CCOCCOC=O e633d59f97e946f8f842b70c7c062796 [0,2,1,0,0,0|0,0,0]=3 3253 B10R0.4 CC(C)CNCCCCC=O d13aacdf511a294bcca197ef6762cef5 [0,2,1,0,0,0|1,0,0]=4 3254 B10R0.4 CC(C)CNCCOCC=O 7793764c0a51e5dda5d7309f8623f91a [0,2,1,0,0,0|1,0,0]=4 3255 B10R0.4 CC(C)COCCCCC=O 3bfc6f7b9d3849255a31e581d494f2fe [0,2,1,0,0,0|1,0,0]=4 3256 B10R0.4 CC(C)COCCCNC=O 6430c0c3317c9f138e2ee3c68c8ad1d8 [0,2,1,0,0,0|1,0,0]=4 3257 B10R0.4 CC(C)COCCOCC=O 4113ae77d7cfb039a06130423b3da636 [0,2,1,0,0,0|1,0,0]=4 3258 B10R0.4 CC(C)CSCCOCC=O c64ee1af4afba5ac8b557da32068f553 [0,2,1,0,0,0|1,0,0]=4 3259 B10R0.4 CC(C)OCCCCCC=O 032283e7aafb15cf0f6a0d0eb14b8408 [0,2,1,0,0,0|1,0,0]=4 3260 B10R0.4 CC(C)OCCCOCC=O b4b51605f605908a46e4648c1616763e [0,2,1,0,0,0|1,0,0]=4 3261 B10R0.4 CC(C)OCOCCOC=O 18d0697ce67c59cc630f9cd493df2243 [0,2,1,0,0,0|1,0,0]=4 3262 B10R0.4 CC(C)SCCCOCC=O 0233bf73fb7d8edbfade5bee58e25673 [0,2,1,0,0,0|1,0,0]=4 3263 B10R0.4 CC(F)COCCCCC=O 2eec5c10cb5565174338b7517d3b1ec7 [0,2,1,0,0,0|1,0,0]=4 3264 B10R0.4 CC(F)COCCOCC=O 1a143b4da8af060bc4959e87b828e0b7 [0,2,1,0,0,0|1,0,0]=4 3265 B10R0.4 CC(O)CCNCCCC=O 7500c054765207ac380080e77680f394 [0,2,1,0,0,0|1,0,0]=4 3266 B10R0.4 CC(O)CNCCCCC=O e5927c4b48cfac4bd9dc050ab33d2d1a [0,2,1,0,0,0|1,0,0]=4 3267 B10R0.4 CC(O)CNCCOCC=O f5382567fc9c1590de81af166919ae1b [0,2,1,0,0,0|1,0,0]=4 3268 B10R0.4 CC(S)COCCCCC=O b77e1ed9a094f3274f7cc40a779f505b [0,2,1,0,0,0|1,0,0]=4 3269 B10R0.4 CC(S)COCCOCC=O bcea0ee34b716621a1179d07f16f0315 [0,2,1,0,0,0|1,0,0]=4 3270 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [0,2,1,0,0,0|1,0,0]=4 3271 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [0,2,1,0,0,0|1,0,0]=4 3272 B10R0.4 CCCCCCNCC(=O)N 3fae3fcfcc109d047ed465f3e2b847e2 [0,2,1,0,0,0|1,0,0]=4 3273 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [0,2,1,0,0,0|1,0,0]=4 3274 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [0,2,1,0,0,0|0,0,0]=3 3275 B10R0.4 CCCCCCOCC(=O)N 9c51cacea528460eb1c6e4fbed6a2905 [0,2,1,0,0,0|0,0,0]=3 3276 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [0,2,1,0,0,0|0,0,0]=3 3277 B10R0.4 CCCCCCOCC(=S)N 4a6619ae0c5d9b426d785374d9a55b11 [0,2,1,0,0,0|0,1,0]=4 3278 B10R0.4 CCCCCCOCS(=O)O 2b6780218bd3498af4d92344e34b6465 [0,2,1,0,0,0|0,0,1]=4 3279 B10R0.4 CCCCCCOC[N+](=O)[O-] 8de73a02b11721ecdeb3033a6923b71d [0,2,1,0,0,0|0,0,1]=4 3280 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [0,2,1,0,0,0|1,0,0]=4 3281 B10R0.4 CCCCCNCCC(=O)N da2ae5cebf00ff2bc6648f8e9deea068 [0,2,1,0,0,0|1,0,0]=4 3282 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [0,2,1,0,0,0|1,0,0]=4 3283 B10R0.4 CCCCCNCOC(=O)C 35ef47aef23a171936e6801a261865e1 [0,2,1,0,0,0|0,0,0]=3 3284 B10R0.4 CCCCCNCSC(=O)N f0087a849ed0984cde78f3cd83990d19 [0,2,1,0,0,0|0,1,0]=4 3285 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [0,2,1,0,0,0|1,0,0]=4 3286 B10R0.4 CCCCCOCCC(=O)N 3ccf202c6633a29591d963976a663b22 [0,2,1,0,0,0|1,0,0]=4 3287 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [0,2,1,0,0,0|1,0,0]=4 3288 B10R0.4 CCCCCOCNC(=O)C 3014ea30bb40b67aa6a1ce125b435cc1 [0,2,1,0,0,0|1,0,0]=4 3289 B10R0.4 CCCCCOCNC(=O)N 878e32bdf57fabeb01ffaf0ffaaa0fb1 [0,2,1,0,0,0|1,0,0]=4 3290 B10R0.4 CCCCCOCOC(=O)C 62a840560a1a56a085f7882cc96ba1f5 [0,2,1,0,0,0|0,0,0]=3 3291 B10R0.4 CCCCCOCSC(=O)N e50a2eecc4d190b7254a33158f696a5a [0,2,1,0,0,0|0,1,0]=4 3292 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [0,2,1,0,0,0|1,0,0]=4 3293 B10R0.4 CCCCNCCCC(=O)N 87f3fa3fa2631822b8cd0b48fa13e9d9 [0,2,1,0,0,0|1,0,0]=4 3294 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [0,2,1,0,0,0|1,0,0]=4 3295 B10R0.4 CCCCNCCNC(=O)C a0257fcf7897366323909d66114b6809 [0,2,1,0,0,0|1,0,0]=4 3296 B10R0.4 CCCCNCCNC(=O)N 1a45d5f5665165b9b8dd6ffa58910f21 [0,2,1,0,0,0|1,0,0]=4 3297 B10R0.4 CCCCNCCOC(=O)C dac752d37b046d20aa6fa7632de515a6 [0,2,1,0,0,0|0,0,0]=3 3298 B10R0.4 CCCCNCCSC(=O)C 0ac4a109a3992122f41a3a955bc15a16 [0,2,1,0,0,0|0,1,0]=4 3299 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [0,2,1,0,0,0|1,0,0]=4 3300 B10R0.4 CCCCOCCCC(=O)N 4bd9e362912f487ea2067ef12f3cd6d1 [0,2,1,0,0,0|1,0,0]=4 3301 B10R0.4 CCCCOCCNC(=O)C ddcfe368ad37fbe3701a827b8b343f83 [0,2,1,0,0,0|1,0,0]=4 3302 B10R0.4 CCCCOCCNC(=O)N c72709ebb46b5df20e6ec26959a0b816 [0,2,1,0,0,0|1,0,0]=4 3303 B10R0.4 CCCCOCCOC(=O)C 8f9bbeb4cacbf148ed1331b02f645662 [0,2,1,0,0,0|0,0,0]=3 3304 B10R0.4 CCCCOCCSC(=O)C cd6988dd5f5d2697eb1fd4eec9b07d56 [0,2,1,0,0,0|0,1,0]=4 3305 B10R0.4 CCCCOCOCC(=O)C de19627aa5bea52305b73b51889c5d58 [0,2,1,0,0,0|1,0,0]=4 3306 B10R0.4 CCCCOCOCC(=O)N 926e206db980bd2c1eefa23df0a6017c [0,2,1,0,0,0|1,0,0]=4 3307 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [0,2,1,0,0,0|1,0,0]=4 3308 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [0,2,1,0,0,0|1,0,0]=4 3309 B10R0.4 CCCNCCCCC(=O)N e1e10e2e68cec95857cb4c3cfc282eaf [0,2,1,0,0,0|1,0,0]=4 3310 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [0,2,1,0,0,0|1,0,0]=4 3311 B10R0.4 CCCNCCCNC(=O)C 889a8f130116f443d6fd6e1232ef1497 [0,2,1,0,0,0|1,0,0]=4 3312 B10R0.4 CCCNCCCOC(=O)C e1cec712d82f801a0d54d1944e98e203 [0,2,1,0,0,0|0,0,0]=3 3313 B10R0.4 CCCNCCCOC(=S)C 40e323e060fdbe24e644b61798d29294 [0,2,1,0,0,0|0,1,0]=4 3314 B10R0.4 CCCNCCCSC(=O)C 2889b29bc4848ab93d3dd022a17fab90 [0,2,1,0,0,0|0,1,0]=4 3315 B10R0.4 CCCNCCOCC(=O)N 55e2f24709483252c53a6fbd0fb9b0cc [0,2,1,0,0,0|1,0,0]=4 3316 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [0,2,1,0,0,0|1,0,0]=4 3317 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [0,2,1,0,0,0|1,0,0]=4 3318 B10R0.4 CCCOCCCCC(=O)N 40ac037ce19926aee318707e134df4d3 [0,2,1,0,0,0|1,0,0]=4 3319 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [0,2,1,0,0,0|1,0,0]=4 3320 B10R0.4 CCCOCCCNC(=O)C 7a5b85034a356fda536fac05ed90cc22 [0,2,1,0,0,0|1,0,0]=4 3321 B10R0.4 CCCOCCCOC(=O)C a4e530952a94d07d0a2346bd1f1072e5 [0,2,1,0,0,0|0,0,0]=3 3322 B10R0.4 CCCOCCCOC(=S)C e8f51948c1c639d29ee2a2976dba4012 [0,2,1,0,0,0|0,1,0]=4 3323 B10R0.4 CCCOCCCO[N+](=O)[O-] d0001c016963f63b379d4a106d2dcf78 [0,2,1,0,0,0|1,0,0]=4 3324 B10R0.4 CCCOCCCSC(=O)C 79a61e06633112b372a67f8d0e405976 [0,2,1,0,0,0|0,1,0]=4 3325 B10R0.4 CCCOCCOCC(=O)C 8a0436c09947b0d42e02b341d19a096c [0,2,1,0,0,0|1,0,0]=4 3326 B10R0.4 CCCOCCOCC(=O)N 3866f23c4fa43d0a1bf33adf8a9fdb4c [0,2,1,0,0,0|1,0,0]=4 3327 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [0,2,1,0,0,0|1,0,0]=4 3328 B10R0.4 CCCSCCOCC(=O)N 7023129cea31bb4e24776462cec680cf [0,2,1,0,0,0|1,0,0]=4 3329 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [0,2,1,0,0,0|1,0,0]=4 3330 B10R0.4 CCNCCCCCC(=O)N 7e47cb6936cef048a9728be65f4ed153 [0,2,1,0,0,0|1,0,0]=4 3331 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [0,2,1,0,0,0|1,0,0]=4 3332 B10R0.4 CCNCCCCNC(=O)C 56499de7750c75071aaf8455aae5ba93 [0,2,1,0,0,0|1,0,0]=4 3333 B10R0.4 CCOCCCCCC(=O)N 6f015e258b6f4d9a91ad4bf4c5e0b833 [0,2,1,0,0,0|1,0,0]=4 3334 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [0,2,1,0,0,0|1,0,0]=4 3335 B10R0.4 CCOCCCCOC(=O)C 136f9e9edd7237f018da84644cfcf35d [0,2,1,0,0,0|0,0,0]=3 3336 B10R0.4 CCOCCCOCC(=O)C 454eab324c0bac50570ee31f562f3c52 [0,2,1,0,0,0|1,0,0]=4 3337 B10R0.4 CCOCCCOCC(=O)N 9c11d1061e2cebe4ab6d2a5f319743ed [0,2,1,0,0,0|1,0,0]=4 3338 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [0,2,1,0,0,0|1,0,0]=4 3339 B10R0.4 CCOCCNCOC(=O)C db281c6c231a3b4a3bca1210d0e14ab4 [0,2,1,0,0,0|1,0,0]=4 3340 B10R0.4 CCOCCOCOC(=O)C f528dc21c4c896cc3d46268104c145b0 [0,2,1,0,0,0|1,0,0]=4 3341 B10R0.4 CCOCOCCOC(=O)C e441b22fc4f0a21ac0be40ea2d3db001 [0,2,1,0,0,0|1,0,0]=4 3342 B10R0.4 CCSCCCCNC(=O)C a92a124e17ab18927891ca9e4716ceb8 [0,2,1,0,0,0|1,0,0]=4 3343 B10R0.4 CCSCCCOCC(=O)C c02cf25c3006eccd2ce0cd99c6e30a5c [0,2,1,0,0,0|1,0,0]=4 3344 B10R0.4 CCSCCCOCC(=O)N 7ce2062b91df77726ba9945e1153225f [0,2,1,0,0,0|1,0,0]=4 3345 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [0,2,1,0,0,0|1,0,0]=4 3346 B10R0.4 CCSCCNCOC(=O)C c9c4dd950a39e644fb36b368d1c04707 [0,2,1,0,0,0|1,0,0]=4 3347 B10R0.4 CCSCCOCOC(=O)C 799c553332db5fd2d517025547009c9e [0,2,1,0,0,0|1,0,0]=4 3348 B10R0.4 CN(C)CCCCCNC=O 9c75205b3f898c9bdeb7b7b6a3a1031a [0,2,1,0,0,0|1,0,0]=4 3349 B10R0.4 CN(C)CCCCOCC=O 483f9f77b6f215fadd89c49de346501a [0,2,1,0,0,0|1,0,0]=4 3350 B10R0.4 CN(C)CCOCCOC=O d1edacbf5a8579d8da14af5e68e40d90 [0,2,1,0,0,0|1,0,0]=4 3351 B10R0.4 COCCCCCNC(=O)C bf09c8275c5b54d3f2dfe84453f1edeb [0,2,1,0,0,0|1,0,0]=4 3352 B10R0.4 COCCCCOCC(=O)C 1fb872d7e0dc73f602bada9dd9543de8 [0,2,1,0,0,0|1,0,0]=4 3353 B10R0.4 COCCCCOCC(=O)N 31cb5c3dcd7c7bf79498cddf4923ef6e [0,2,1,0,0,0|1,0,0]=4 3354 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [0,2,1,0,0,0|1,0,0]=4 3355 B10R0.4 COCCCNCOC(=O)C 23d2a7c005c67e9466413c3762438d2b [0,2,1,0,0,0|1,0,0]=4 3356 B10R0.4 COCCCOCOC(=O)C e2b95f88f62d2b4f019edb36c7330682 [0,2,1,0,0,0|1,0,0]=4 3357 B10R0.4 COCCNCCOC(=O)C 41f2f7cc571a232e04f11ea73e45b71a [0,2,1,0,0,0|1,0,0]=4 3358 B10R0.4 COCCOCCOC(=O)C eda7928b9df3dc76fb36c1c55466538e [0,2,1,0,0,0|1,0,0]=4 3359 B10R0.4 COCOCCCOC(=O)C 435fe90aab0c06e14091d4ad570ada54 [0,2,1,0,0,0|1,0,0]=4 3360 B10R0.4 CS(=O)CCOCCOC=O a4d98e1d6bd4c0277457a6d96b39d662 [0,2,1,0,0,0|1,0,0]=4 3361 B10R0.4 CSCCCCOCC(=O)N 0dad99c49ad626422ed7bea97669fab3 [0,2,1,0,0,0|1,0,0]=4 3362 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [0,2,1,0,0,0|1,0,0]=4 3363 B10R0.4 CSCCCNCOC(=O)C 70a1c770ebdcc64647b0d3fa98de0ca9 [0,2,1,0,0,0|1,0,0]=4 3364 B10R0.4 CSCCCOCOC(=O)C 65b51777e809d54d2dcc355dc9f9dcf9 [0,2,1,0,0,0|1,0,0]=4 3365 B10R0.4 CSCCNCCOC(=O)C fdfa5293f98007b59c0f2c8b85f59757 [0,2,1,0,0,0|1,0,0]=4 3366 B10R0.4 CSCCOCCOC(=O)C 03481bc89f21bf34d849ce457ccf8202 [0,2,1,0,0,0|1,0,0]=4 3367 B10R0.4 CSCOCCCOC(=O)C b359a480b93e6e32f5359b45976d0dfc [0,2,1,0,0,0|1,0,0]=4 3368 B10R0.4 C[C@@H](F)COCCCCC=O 0d314a86f8f7cea5370181ce35370fa3 [0,2,1,0,0,0|1,0,0]=4 3369 B10R0.4 C[C@@H](F)COCCOCC=O 5c45b896870a3217e24006801a99b0f0 [0,2,1,0,0,0|1,0,0]=4 3370 B10R0.4 C[C@@H](O)CCNCCCC=O d7ec67af06a26a29d161b2e94559897b [0,2,1,0,0,0|1,0,0]=4 3371 B10R0.4 C[C@@H](O)CNCCCCC=O 2db3ec6bc34b57b09f883621835ea1d2 [0,2,1,0,0,0|1,0,0]=4 3372 B10R0.4 C[C@@H](O)CNCCOCC=O 62588b4f4462014fdfe7592dcd7f2a65 [0,2,1,0,0,0|1,0,0]=4 3373 B10R0.4 C[C@H](F)COCCCCC=O e3213a247106f461b822c490daa39e41 [0,2,1,0,0,0|1,0,0]=4 3374 B10R0.4 C[C@H](F)COCCOCC=O 901495d7633bd3f7743a69d8668e5e8f [0,2,1,0,0,0|1,0,0]=4 3375 B10R0.4 C[C@H](O)CCNCCCC=O 96162b60d8478ae0f8040deafc04623b [0,2,1,0,0,0|1,0,0]=4 3376 B10R0.4 C[C@H](O)CNCCCCC=O 70f721e8c5d7fb18eb1e8254c173e764 [0,2,1,0,0,0|1,0,0]=4 3377 B10R0.4 C[C@H](O)CNCCOCC=O 597e742c66d51601a4b30d8952139efa [0,2,1,0,0,0|1,0,0]=4 3378 B10R0.4 NC(=O)COCCCCCF 2490632b700a7ac5785deea7c0a8c40c [0,2,1,0,0,0|1,0,0]=4 3379 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [0,2,1,0,0,0|1,0,0]=4 3380 B10R0.22 CC(C)(C)COCCOC=O d50e16116c9d8e447a97d047ada5bee0 [0,2,1,0,0,0|1,0,0]=4 3381 B10R0.22 CC(C)(F)COCCOC=O 804f7cd6de6be8816932b8d6ce9be078 [0,2,1,0,0,0|1,0,0]=4 3382 B10R0.22 CC(C)(O)COCCOC=O 5ee136e5449df107999b80d6ac3421b0 [0,2,1,0,0,0|1,0,0]=4 3383 B10R0.22 CC(F)(F)COCCOC=O 3715016e530387227af744eb8abdf3fb [0,2,1,0,0,0|1,0,0]=4 3384 B10R0.55 CCC(C)CNCOC(=O)C 45b27ed1b3fa5773a89cd025069c928a [0,2,1,0,0,0|1,0,0]=4 3385 B10R0.55 CCC(C)COCOC(=O)C 3f0c9c3055dec418254e7f92060d6183 [0,2,1,0,0,0|1,0,0]=4 3386 B10R0.55 CCC(C)NCCOC(=O)C f1a2686fea282499245bdc84dc2245d2 [0,2,1,0,0,0|1,0,0]=4 3387 B10R0.55 CCC(C)OCCOC(=O)C eea4969987d429e16dd91fccc6cfb054 [0,2,1,0,0,0|1,0,0]=4 3388 B10R0.55 CCC(O)CNCOC(=O)C 96c690296ad22add33e14456300a846a [0,2,1,0,0,0|1,0,0]=4 3389 B10R0.55 CCN(C)CCCOC(=O)C 8abf6aad97c9b60ba3fd45ae10c88037 [0,2,1,0,0,0|1,0,0]=4 3390 B10R0.55 CC[C@@H](C)COCOC(=O)C c07cfbbd7071cecb58c01d5f746ec554 [0,2,1,0,0,0|1,0,0]=4 3391 B10R0.55 CC[C@@H](C)NCCOC(=O)C 389b11be481b4128b3250089d920dbf0 [0,2,1,0,0,0|1,0,0]=4 3392 B10R0.55 CC[C@@H](C)OCCOC(=O)C 88255690af41c8c6932375eb3cba49ed [0,2,1,0,0,0|1,0,0]=4 3393 B10R0.55 CC[C@@H](O)CNCOC(=O)C b4ee9998fe97191fe9c2b61ba2f7cb08 [0,2,1,0,0,0|1,0,0]=4 3394 B10R0.55 CC[C@H](C)CNCOC(=O)C 40fc7b358a5d148f02fd1e2e897aa9dc [0,2,1,0,0,0|1,0,0]=4 3395 B10R0.55 CC[C@H](C)COCOC(=O)C fbc035d2b0796c1d7c502879823bbafa [0,2,1,0,0,0|1,0,0]=4 3396 B10R0.55 CC[C@H](C)NCCOC(=O)C ea4fe5ba78e411aabbe8ccb98999433a [0,2,1,0,0,0|1,0,0]=4 3397 B10R0.55 CC[C@H](C)OCCOC(=O)C 6218a7eb503538aabba0da5628a9d829 [0,2,1,0,0,0|1,0,0]=4 3398 B10R0.74 C#CC(=O)NCCCCCC 9ce0dcb0417530c831957f5468426ec6 [0,2,1,0,0,0|1,0,0]=4 3399 B10R0.74 C=C(C=O)OCCCCCC 940d42a6ab41c79281a642305f54c21a [0,2,1,0,0,0|0,0,0]=3 3400 B10R0.74 C=C(C=O)OCCCCCF 0c66c85650f9af14f1e10a384365549e [0,2,1,0,0,0|1,0,0]=4 3401 B10R0.74 C=C(C=O)OCCCCOC 2032bbd5fa16902caddad4f43c0aedf8 [0,2,1,0,0,0|1,0,0]=4 3402 B10R0.74 C=C(C=O)OCCCOCC f3b812ffdabce81419de4cf041999b58 [0,2,1,0,0,0|1,0,0]=4 3403 B10R0.74 C=C(C=O)OCCCSCC e2c4a160a78f37d35ac4f9e0dd3aa338 [0,2,1,0,0,0|1,0,0]=4 3404 B10R0.74 C=C(C=O)OCCOCCC 654023781d9a6da849a330900fdeef06 [0,2,1,0,0,0|1,0,0]=4 3405 B10R0.74 C=C(C=O)OCOCCCC 09e3a76ff1be164af5a4bb922f4fa340 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B10R0.74 CCC(C)COCCCC=O c0c9cbd4ba827bed98f2d72349b45fb9 [0,2,1,0,0,0|1,0,0]=4 3430 B10R0.74 CCC(C)COCCNC=O d01a5fbb251c6a978593b83ae3bd5773 [0,2,1,0,0,0|1,0,0]=4 3431 B10R0.74 CCC(C)COCCOC=O b07f9cf292f098cdcbb87122d784ed79 [0,2,1,0,0,0|0,0,0]=3 3432 B10R0.74 CCC(C)NCCCCC=O 784eda9c8d862367f7562fb9bbe59d4a [0,2,1,0,0,0|1,0,0]=4 3433 B10R0.74 CCC(C)NCCOCC=O 1602f0aa16987faa3da96b0719ebe378 [0,2,1,0,0,0|1,0,0]=4 3434 B10R0.74 CCC(C)OCCCCC=O ba4442bc363967d483c181f11b5c1d6d [0,2,1,0,0,0|1,0,0]=4 3435 B10R0.74 CCC(C)OCCOCC=O 4e9849113ef1180a2f52d93fcd74bd5a [0,2,1,0,0,0|1,0,0]=4 3436 B10R0.74 CCC(O)CNCCCC=O d1e3cbd1bc7d6085a841ad775f031f6a [0,2,1,0,0,0|1,0,0]=4 3437 B10R0.74 CCC(S)CCOCCC=O d3c356296164b2473ada91f2875ef78c [0,2,1,0,0,0|1,0,0]=4 3438 B10R0.74 CCCCCCCN(C)C=O cabb5953e5f85ac4e59396bcaf0e43b7 [0,2,1,0,0,0|1,0,0]=4 3439 B10R0.74 CCCCCCNC(=O)C=O 77542971675e4c1be34f9cc380438664 [0,2,1,0,0,0|1,0,0]=4 3440 B10R0.74 CCCCCCNC(=O)CC f0032df3cc8c2000bc1576b718e1412f 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B10R0.74 CCSCCCOC(C)C=O 7ed644853d14a101f25fc6804bb77766 [0,2,1,0,0,0|1,0,0]=4 3465 B10R0.74 CCSCCCO[C@H](C)C=O 3c89135df9d0875f9cb650f25b8cd2af [0,2,1,0,0,0|1,0,0]=4 3466 B10R0.74 CC[C@@H](C)COCCCC=O a4f1c10c0f897e176ee51e929ffb2675 [0,2,1,0,0,0|1,0,0]=4 3467 B10R0.74 CC[C@@H](C)COCCNC=O 13bd4468f2ef36422f2c4cbfc9ed14a3 [0,2,1,0,0,0|1,0,0]=4 3468 B10R0.74 CC[C@@H](C)COCCOC=O cc3d679997b214337c945313828e497b [0,2,1,0,0,0|0,0,0]=3 3469 B10R0.74 CC[C@@H](C)NCCCCC=O 2624f4b3d1240c79fa9c11665b0bde37 [0,2,1,0,0,0|1,0,0]=4 3470 B10R0.74 CC[C@@H](C)NCCOCC=O d3a0534ea5f6aceaf958ae95b61305d1 [0,2,1,0,0,0|1,0,0]=4 3471 B10R0.74 CC[C@@H](C)OCCCCC=O cf00abe7ab8cf7b151c208b8f8a44a85 [0,2,1,0,0,0|1,0,0]=4 3472 B10R0.74 CC[C@@H](C)OCCOCC=O 64d3956aa0be5c76b3125465158b91cc [0,2,1,0,0,0|1,0,0]=4 3473 B10R0.74 CC[C@@H](O)CNCCCC=O 54bd7879ec0b623926a032493d977a3a [0,2,1,0,0,0|1,0,0]=4 3474 B10R0.74 CC[C@H](C)CCCOCC=O 62e2d3eee0d660ad457e7c233a727dc1 [0,2,1,0,0,0|0,0,0]=3 3475 B10R0.74 CC[C@H](C)CCOCCC=O 2cff636914fc34179d69b6ad900f8d2b [0,2,1,0,0,0|1,0,0]=4 3476 B10R0.74 CC[C@H](C)CNCCCC=O 375407a76cb002897e1758cecd029266 [0,2,1,0,0,0|1,0,0]=4 3477 B10R0.74 CC[C@H](C)COCCCC=O 6e12c402433394cf89e2e0b92e15e1a1 [0,2,1,0,0,0|1,0,0]=4 3478 B10R0.74 CC[C@H](C)COCCNC=O 37dacd93a87f7f5224ec8d8e63ac6c3a [0,2,1,0,0,0|1,0,0]=4 3479 B10R0.74 CC[C@H](C)COCCOC=O 09b42eda3ced28489d1ca42f1d0f0152 [0,2,1,0,0,0|0,0,0]=3 3480 B10R0.74 CC[C@H](C)NCCCCC=O 2170823f6995f0270617b41ad133a335 [0,2,1,0,0,0|1,0,0]=4 3481 B10R0.74 CC[C@H](C)NCCOCC=O 6865b75c013e69acc393d44c9a13bd4c [0,2,1,0,0,0|1,0,0]=4 3482 B10R0.74 CC[C@H](C)OCCCCC=O 3dc78475572716dff1a231ca68f4ee86 [0,2,1,0,0,0|1,0,0]=4 3483 B10R0.74 CC[C@H](C)OCCOCC=O b019af64e309bcda5edb6a9ffd492f6b [0,2,1,0,0,0|1,0,0]=4 3484 B10R0.74 CN(C=O)CCCCCCO fceebcab022774b9a914686cac752a97 [0,2,1,0,0,0|1,0,0]=4 3485 B10R0.74 COC(C)COCCOC=O bb0c4667367d0832ee737e568707a181 [0,2,1,0,0,0|1,0,0]=4 3486 B10R0.74 COCCCCOC(C)C=O 4472addcbfbb64f6c3290a31dc720dc7 [0,2,1,0,0,0|1,0,0]=4 3487 B10R0.74 COCCCCO[C@H](C)C=O ba436cf4cebeb9957af0dc7ed9f7343b [0,2,1,0,0,0|1,0,0]=4 3488 B10R0.74 CO[C@@H](C)COCCOC=O 2ee03039301b9037635d5d2677b94dd4 [0,2,1,0,0,0|1,0,0]=4 3489 B10R0.74 CO[C@H](C)COCCOC=O 8fa09c28c96eaa9f6c3602560fe0dd82 [0,2,1,0,0,0|1,0,0]=4 3490 B10R0.74 CSCCCCOC(C)C=O 7eacc6aaf6c7e2b9c260a33bc48e2d39 [0,2,1,0,0,0|1,0,0]=4 3491 B10R0.74 CSCCCCO[C@H](C)C=O 51015721b513c150ca762d318178d69f [0,2,1,0,0,0|1,0,0]=4 3492 B10R0.74 O=COCCOCC(O)CO 940717cd1d248a891055b502c8429363 [0,2,1,0,0,0|1,0,0]=4 3493 B10R0.74 O=COCCOC[C@@H](O)CO 73bc07619ac1620ec0cb8d476f2d1c3a [0,2,1,0,0,0|1,0,0]=4 3494 B10R0.74 O=COCCOC[C@H](O)CO 4c5f37b4d1177ec926d69ae5930251d1 [0,2,1,0,0,0|1,0,0]=4 3495 B10R0.75 CC(C)C(C)OCCOC=O f03d237af2bd4642bdb988051989bd4a [0,2,1,0,0,0|1,0,0]=4 3496 B10R0.75 CCCCCCN(C)C(=O)C a69bd745f8e8fa499fd546b6bf938c79 [0,2,1,0,0,0|1,0,0]=4 3497 B10R0.97 CC(=O)OCCCOC(C)C 2dadfbcff321fa5dc5b58052413ca706 [0,2,1,0,0,0|1,0,0]=4 3498 B10R0.97 CC(=O)OCCNCC(C)C ceea8777460fc296a6a0f10659e59b7c [0,2,1,0,0,0|1,0,0]=4 3499 B10R0.97 CC(=O)OCCNCC(C)O 2ccdac4b82992206fcced7f0200889f5 [0,2,1,0,0,0|1,0,0]=4 3500 B10R0.97 CC(=O)OCCNC[C@@H](C)O 6156f16dc4b52d2b157e4f566e318b73 [0,2,1,0,0,0|1,0,0]=4 3501 B10R0.97 CC(=O)OCCNC[C@H](C)O 9ca0444f9e0ce203ee9b8f07ad1fef29 [0,2,1,0,0,0|1,0,0]=4 3502 B10R0.97 CC(=O)OCCOCC(C)C 6cd76efc740ca1a7b98636fb933d6536 [0,2,1,0,0,0|1,0,0]=4 3503 B10R0.97 CC(=O)OCCOCC(C)F 7fd1cefec405c06f3332663a7329e344 [0,2,1,0,0,0|1,0,0]=4 3504 B10R0.97 CC(=O)OCCOCC(C)S af2751768c9469cbb07e1315f42870cf [0,2,1,0,0,0|1,0,0]=4 3505 B10R0.97 CC(=O)OCCOC[C@@H](C)F 34a0754129cbeaddd892b513ff5deb61 [0,2,1,0,0,0|1,0,0]=4 3506 B10R0.97 CC(=O)OCCOC[C@H](C)F b7d026d673b739f662449ec658b2b76f [0,2,1,0,0,0|1,0,0]=4 3507 B10R0.97 CC(=O)OCNCCC(C)C a9bb23822077d559e84b0913369f8554 [0,2,1,0,0,0|1,0,0]=4 3508 B10R0.97 CC(=O)OCNCCC(C)O 9fe41b99755d9ff2653c03b7fe7fd715 [0,2,1,0,0,0|1,0,0]=4 3509 B10R0.97 CC(=O)OCNCC[C@@H](C)O adca9644c820966cca840cae23464cdd [0,2,1,0,0,0|1,0,0]=4 3510 B10R0.97 CC(=O)OCNCC[C@H](C)O faa29511bd8875e5271fdc3eceaa5e17 [0,2,1,0,0,0|1,0,0]=4 3511 B10R0.97 CC(=O)OCOCCC(C)C 9297b1e3b71c1cac31130af506839c44 [0,2,1,0,0,0|1,0,0]=4 3512 B10R0.71 C#CCCCCCCNC=O 05a9b2edbee3cf0f2b0f3bd7c7eaf71b [0,2,1,0,0,0|1,0,0]=4 3513 B10R0.71 C#CCCCCCOCC=O 1a7b63a44d4399e82036303aec0b425b [0,2,1,0,0,0|0,0,1]=4 3514 B10R0.71 C#CCCCOCCOC=O 6afa19a8622391e048a3078a0d4bd96c [0,2,1,0,0,0|0,0,1]=4 3515 B10R0.71 C/C=C/COCCCCCC 2cc86534d43c03349a69990f00a712f1 [0,2,1,0,0,0|1,0,0]=4 3516 B10R0.71 C/C=C\COCCCCCC c3215f168781748ebc00617e7f23375f [0,2,1,0,0,0|1,0,0]=4 3517 B10R0.71 C=CCCCCCOCC=O 17fcd001972daa95e2aa4e2615b8135d [0,2,1,0,0,0|0,0,1]=4 3518 B10R0.71 C=CCCCOCCOC=O 3d096474d6b9c64bff6e37d1dcccaacf [0,2,1,0,0,0|0,0,1]=4 3519 B10R0.71 C=CCCOCCCCCC 8814dfd80f4d64b7d70e638ca2c0b882 [0,2,1,0,0,0|1,0,0]=4 3520 B10R0.71 C=CCOCCCCCCC 817dc73f818a9c2b13aa69014917ad92 [0,2,1,0,0,0|1,0,0]=4 3521 B10R0.71 C=CCOCCCCCCF f709cb79d0ca41f317d6e8357e9568a7 [0,2,1,0,0,0|1,0,0]=4 3522 B10R0.71 C=CCOCCCCCCS a5836358633975ddc0a2aa7700ac4cc7 [0,2,1,0,0,0|1,0,0]=4 3523 B10R0.71 C=CCOCCNCCCC e0570ef9f8739d6bbd2a74a6f96e9cc4 [0,2,1,0,0,0|1,0,0]=4 3524 B10R0.71 C=CCOCCOCCCC e98f10a71c7642e93a50bfdf835e4866 [0,2,1,0,0,0|1,0,0]=4 3525 B10R0.71 C=CCOCCSCCCC 50145e0a8a07b0f7e86e2d532683b9de [0,2,1,0,0,0|1,0,0]=4 3526 B10R0.71 C=COCCCCOCCC acdc1c9c66ac69f67b0b371a301168b2 [0,2,1,0,0,0|1,0,0]=4 3527 B10R0.71 C=COCCCCOCCF ad82a7c26930c3090fe9751b19eb098f [0,2,1,0,0,0|1,0,0]=4 3528 B10R0.71 C=COCCCCOCCS 5d2471fdb256584e25b421fe9042e6de [0,2,1,0,0,0|1,0,0]=4 3529 B10R0.71 C=COCCCCOCOC a0d163eb6e11c4ae7424235111cef250 [0,2,1,0,0,0|1,0,0]=4 3530 B10R0.71 C=COCCCCOCSC 15adf18810b25306a23603f507a2c15f [0,2,1,0,0,0|1,0,0]=4 3531 B10R0.71 C=COCCCNCCCC 966b6b85202649a3e5dbe59bfd7541e2 [0,2,1,0,0,0|1,0,0]=4 3532 B10R0.71 C=COCCCNCCCF e6c751741d9aebdd516cd12954179078 [0,2,1,0,0,0|1,0,0]=4 3533 B10R0.71 C=COCCCNCCCO 9be59fe3f2c8147e961b022a044c4631 [0,2,1,0,0,0|1,0,0]=4 3534 B10R0.71 C=COCCCNCCCS c471c32ac720479bbb9bcc201da10ed1 [0,2,1,0,0,0|1,0,0]=4 3535 B10R0.71 C=COCCCNCCOC 8b1aed09e878af7fba3c4b0405221d26 [0,2,1,0,0,0|1,0,0]=4 3536 B10R0.71 C=COCCCNCCSC c3df2f5b086ce798a5105c21f8799adb [0,2,1,0,0,0|1,0,0]=4 3537 B10R0.71 C=COCCCNCOCC bfbdc5393aad6b2a5e36d9bab637fda3 [0,2,1,0,0,0|1,0,0]=4 3538 B10R0.71 C=COCCNCCCCC 38c3a227ee0b31b1e34558e1e2def1c6 [0,2,1,0,0,0|1,0,0]=4 3539 B10R0.71 C=COCCNCCCCF da76628fe73073f29282357e12c102a9 [0,2,1,0,0,0|1,0,0]=4 3540 B10R0.71 C=COCCNCCCCO 762e9c1e009a507fd72d928ea69a9b11 [0,2,1,0,0,0|1,0,0]=4 3541 B10R0.71 C=COCCNCCCOC 7949fc69ed63412acd05529538283c92 [0,2,1,0,0,0|1,0,0]=4 3542 B10R0.71 C=COCCNCCCSC eeb8959365d1dd6e1a299768c219bb86 [0,2,1,0,0,0|1,0,0]=4 3543 B10R0.71 C=COCCNCCOCC d7ef02c4620bb75ae3672ca5fa6d69b8 [0,2,1,0,0,0|1,0,0]=4 3544 B10R0.71 C=COCCNCCSCC a1b154eb31489f6b1e1a014ee24d0b24 [0,2,1,0,0,0|1,0,0]=4 3545 B10R0.71 C=COCCOCCCCC 30fae63f28005e24e70d255fb5a94d91 [0,2,1,0,0,0|1,0,0]=4 3546 B10R0.71 C=COCCOCCCCF 4ce6a3258795006c1583b6d34d8709d4 [0,2,1,0,0,0|1,0,0]=4 3547 B10R0.71 C=COCCOCCCOC af80db0d641a997c436e1666ad23bffa [0,2,1,0,0,0|1,0,0]=4 3548 B10R0.71 C=COCCOCCCSC 4363563f8e6b463cbeab6e43f4ae42a4 [0,2,1,0,0,0|1,0,0]=4 3549 B10R0.71 C=COCCOCCOCC 059c1f1d846eee2d66646c6e21b807c9 [0,2,1,0,0,0|1,0,0]=4 3550 B10R0.71 C=COCCOCCSCC bf3cbf8365300adf0c4775d1386cbf71 [0,2,1,0,0,0|1,0,0]=4 3551 B10R0.71 CC/C=C/COCCOC=O 9a387c88100608d11948b84782156bf4 [0,2,1,0,0,0|0,0,1]=4 3552 B10R0.71 CC/C=C\CCCOCC=O 36e95cc5d25b5bd1fc3c8ddd865fe102 [0,2,1,0,0,0|0,0,1]=4 3553 B10R0.71 CC=CCOCCCCCC a58ad78e13367fd9a0795b0d0efdc386 [0,2,1,0,0,0|1,0,0]=4 3554 B10R0.71 CCC#CCOCCOC=O 4ce274de16b46fd7609e51c4799dbb35 [0,2,1,0,0,0|0,0,1]=4 3555 B10R0.71 CCC/C=C\CCOCC=O bafc16685d9283edaafa3b74eddd7417 [0,2,1,0,0,0|0,0,1]=4 3556 B10R0.71 CCCC#CCCOCC=O 1d16b611a59e99eef91337b76bd4244f [0,2,1,0,0,0|0,0,1]=4 3557 B10R0.71 CCCC/C=C/COCC=O beced0b5bd1f0998d6317bc3f33a4b94 [0,2,1,0,0,0|0,0,1]=4 3558 B10R0.71 CCCCC#CCOCC=O 9a0dc6aec17464bbeea4ad4e9c70dbf6 [0,2,1,0,0,0|0,0,1]=4 3559 B10R0.71 CCCCCCCCNC=O bc03f137b33aec3f705c81e5d5bac7bb [0,2,1,0,0,0|1,0,0]=4 3560 B10R0.71 CCCCCCCNCC=O bfb56bc7341eb925b4f8d6df80cbc0e0 [0,2,1,0,0,0|1,0,0]=4 3561 B10R0.71 CCCCCCCOCC=O 85a03949435365a6a1fdeda7013cb46a [0,2,1,0,0,0|0,0,0]=3 3562 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [0,2,1,0,0,0|1,0,0]=4 3563 B10R0.71 CCCCCCOC/C=C/Cl 9b845a9faee5eb30dccd92e1d125045d [0,2,1,0,0,0|1,0,0]=4 3564 B10R0.71 CCCCCCOC/C=C\Cl 6c622b8755434309310cd777f350ff13 [0,2,1,0,0,0|1,0,0]=4 3565 B10R0.71 CCCCCCOCC=CCl f46dbeda2bf4ea0706f085cbc02d1831 [0,2,1,0,0,0|1,0,0]=4 3566 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [0,2,1,0,0,0|0,0,0]=3 3567 B10R0.71 CCCCCNCCCC=O 6680464fa50f8e11fa1a82d02cb758f7 [0,2,1,0,0,0|1,0,0]=4 3568 B10R0.71 CCCCCOC/C=C/C=O dd701f6f2acb2f0b3775b86bb7a39725 [0,2,1,0,0,0|1,0,0]=4 3569 B10R0.71 CCCCCOCCCC=O 37cad7ef5e51a341a4958cbb40245746 [0,2,1,0,0,0|1,0,0]=4 3570 B10R0.71 CCCCCOCCNC=O 11bc3670960456d027b99f450c9cd405 [0,2,1,0,0,0|1,0,0]=4 3571 B10R0.71 CCCCCOCCOC=O f65c1673d6dd413a755f7700c7d8cf80 [0,2,1,0,0,0|0,0,0]=3 3572 B10R0.71 CCCCNCCCCC=O dbb1efb0684adf2cb0a6d780179e9b96 [0,2,1,0,0,0|1,0,0]=4 3573 B10R0.71 CCCCNCCOCC=O 787911224950c5a6a26ccf3d666907ba [0,2,1,0,0,0|0,0,0]=3 3574 B10R0.71 CCCCOCCCCC=O 87caad785ee1de0ab8952b818b81a155 [0,2,1,0,0,0|1,0,0]=4 3575 B10R0.71 CCCCOCCCNC=O 1df83f1971a73005dd333cd8848e6b5c [0,2,1,0,0,0|1,0,0]=4 3576 B10R0.71 CCCCOCCNCC=O fd05767acbc686cedfc374265ff72d9e [0,2,1,0,0,0|1,0,0]=4 3577 B10R0.71 CCCCOCCOCC=O a6901254910c713b78cc0e091da1f627 [0,2,1,0,0,0|0,0,0]=3 3578 B10R0.71 CCCCOCOCCC=O 4113d4be8e23f116c4dc8d3c5b040f92 [0,2,1,0,0,0|1,0,0]=4 3579 B10R0.71 CCCCSCCOCC=O 8f29c60b682aa461112b864e43be5ea6 [0,2,1,0,0,0|0,0,0]=3 3580 B10R0.71 CCCNCCCCCC=O ea13b9738fa632ac5ce864b8fef8c315 [0,2,1,0,0,0|1,0,0]=4 3581 B10R0.71 CCCOCCCCCC=O f9a394720b00a6dd92dae6c05c91a7d4 [0,2,1,0,0,0|1,0,0]=4 3582 B10R0.71 CCCOCCCNCC=O 380a74b5572ab40033143e1f26511a2c [0,2,1,0,0,0|1,0,0]=4 3583 B10R0.71 CCCOCCNCCC=O 6df960592cc3aedec5ccbd3598ac6a82 [0,2,1,0,0,0|1,0,0]=4 3584 B10R0.71 CCCOCCOCCC=O aa0e7647691e5c2da56a1510f534f744 [0,2,1,0,0,0|1,0,0]=4 3585 B10R0.71 CCCSCCCCNC=O cdfb35b8e32d72964621f5e08adec4c6 [0,2,1,0,0,0|1,0,0]=4 3586 B10R0.71 CCCSCCOCCC=O 04aca3fd2855c5ae48462fe4887f3d74 [0,2,1,0,0,0|1,0,0]=4 3587 B10R0.71 CCOCCCNCCC=O 919c30e425f23fce621e7b3f87b21a82 [0,2,1,0,0,0|1,0,0]=4 3588 B10R0.71 CCOCCCOCCC=O 92e4346ec52c6edbbc2511fd64330f33 [0,2,1,0,0,0|1,0,0]=4 3589 B10R0.71 CCOCCNCCCC=O a8e3974e3a3fa2b0a2c573f75b0c1bfc [0,2,1,0,0,0|1,0,0]=4 3590 B10R0.71 CCOCCOCCCC=O b24127ff9c79cd4d7017e2d84818fe52 [0,2,1,0,0,0|1,0,0]=4 3591 B10R0.71 CCOCCOCCNC=O ae616aea066de2e8dae386596c350480 [0,2,1,0,0,0|1,0,0]=4 3592 B10R0.71 CCOCCOCCOC=O cd8105de360c73ea87c3d33588a475a7 [0,2,1,0,0,0|0,0,0]=3 3593 B10R0.71 CCOCOCCCCC=O 806ea60cee9ee60c73146305a4648194 [0,2,1,0,0,0|1,0,0]=4 3594 B10R0.71 CCOCOCCOCC=O df49dbf77001264fefed3b2aa792403c [0,2,1,0,0,0|1,0,0]=4 3595 B10R0.71 CCSCCCCNCC=O 1ab6546c36a47293d1614a30d9ce2b9b [0,2,1,0,0,0|1,0,0]=4 3596 B10R0.71 CCSCCCOCCC=O b3576a09b39df7307cc45f7dc67d57ae [0,2,1,0,0,0|1,0,0]=4 3597 B10R0.71 CCSCCNCCCC=O cd3237ae64f38a142c6c221750b0fc89 [0,2,1,0,0,0|1,0,0]=4 3598 B10R0.71 CCSCCOCCCC=O 0e80ab4c57e8d8dffb2a4be0fb1f4459 [0,2,1,0,0,0|1,0,0]=4 3599 B10R0.71 CCSCCOCCNC=O 3c7f5d5048d018a31705b4fbc42cd1f1 [0,2,1,0,0,0|1,0,0]=4 3600 B10R0.71 CCSCCOCCOC=O 6da303f3a52377f4ba0a272546a9f335 [0,2,1,0,0,0|0,0,0]=3 3601 B10R0.71 COCCCCCNCC=O d231ec695157b503cb2910caa76afab4 [0,2,1,0,0,0|1,0,0]=4 3602 B10R0.71 COCCCCNCCC=O bcf1db108f2651749489c3b772b7f80b [0,2,1,0,0,0|1,0,0]=4 3603 B10R0.71 COCCCCOCCC=O 920c024d9ff9bded6a53740612fb580d [0,2,1,0,0,0|1,0,0]=4 3604 B10R0.71 COCCCNCCCC=O 9aed4760aa5268d3defa3d9fe6e72fc2 [0,2,1,0,0,0|1,0,0]=4 3605 B10R0.71 COCCCOCCCC=O 79af4fe20b656d14d46dea2166989e4d [0,2,1,0,0,0|1,0,0]=4 3606 B10R0.71 COCCCOCCNC=O d5fc58f2fc351320ccb23346f6db3ee0 [0,2,1,0,0,0|1,0,0]=4 3607 B10R0.71 COCCCOCCOC=O f1eb81de4a4564fc9b373c8bbac086ae [0,2,1,0,0,0|0,0,0]=3 3608 B10R0.71 COCCNCCCCC=O bc6c422265c6e9088c0106f323f77ea0 [0,2,1,0,0,0|1,0,0]=4 3609 B10R0.71 COCCNCCOCC=O 051e219f8ef7272f3a10441539efff25 [0,2,1,0,0,0|1,0,0]=4 3610 B10R0.71 COCCOCCCCC=O 6b541abfc9aefb5f7d5b8f086dc51d76 [0,2,1,0,0,0|1,0,0]=4 3611 B10R0.71 COCCOCCCNC=O ba532e589e4b745aca42389059191602 [0,2,1,0,0,0|1,0,0]=4 3612 B10R0.71 COCCOCCOCC=O 177897e12b65cb3451f30446f701b656 [0,2,1,0,0,0|1,0,0]=4 3613 B10R0.71 COCOCCCCCC=O dfd5ba090977dea135c94b805c3e2c51 [0,2,1,0,0,0|1,0,0]=4 3614 B10R0.71 CSCCCCNCCC=O a4fbba1777d91296aec29086c8318691 [0,2,1,0,0,0|1,0,0]=4 3615 B10R0.71 CSCCCCOCCC=O 6a065f146be1eb60def066554b747dd2 [0,2,1,0,0,0|1,0,0]=4 3616 B10R0.71 CSCCCNCCCC=O 01ee3ec09855ef4a2876bdf4a5baa2f8 [0,2,1,0,0,0|1,0,0]=4 3617 B10R0.71 CSCCCOCCCC=O 0e1c9223f3e4d89f214ccc3111c47256 [0,2,1,0,0,0|1,0,0]=4 3618 B10R0.71 CSCCCOCCNC=O b143a976c1117c753e2af0d3fd122da4 [0,2,1,0,0,0|1,0,0]=4 3619 B10R0.71 CSCCCOCCOC=O 28f006d32935d42bc81e670c1cb0bdfc [0,2,1,0,0,0|0,0,0]=3 3620 B10R0.71 CSCCNCCCCC=O 215548d3cae35566d21205f69c801c10 [0,2,1,0,0,0|1,0,0]=4 3621 B10R0.71 CSCCNCCOCC=O c4c27760f59e935c18becc4916cbd6ab [0,2,1,0,0,0|1,0,0]=4 3622 B10R0.71 CSCCOCCCCC=O 8a74c1eee42229a729429931600634e6 [0,2,1,0,0,0|1,0,0]=4 3623 B10R0.71 CSCCOCCCNC=O ab1000dbec3c5183aa0e8fb14508f01c [0,2,1,0,0,0|1,0,0]=4 3624 B10R0.71 CSCCOCCOCC=O 8ed4e9916856253c5f82ab571e630ad0 [0,2,1,0,0,0|1,0,0]=4 3625 B10R0.71 N#CCCCCCOCC=O a3947feecab0e44016eb9ffd9ae0940a [0,2,1,0,0,0|0,0,1]=4 3626 B10R0.71 N#CCCCOCCOC=O 40813e5342815d33eb8b4f1c03daf325 [0,2,1,0,0,0|0,0,1]=4 3627 B10R0.71 O=CCCCCCNCCBr 78a7aefd34cc88e0f0c146e2c35dddd4 [0,2,1,0,0,0|1,0,0]=4 3628 B10R0.71 O=CCCCCCNCCF 8ec67bf27bdfb4ce363f89db0d0a753a [0,2,1,0,0,0|1,0,0]=4 3629 B10R0.71 O=CCCCCCNCCI 746bf6a802a07fbe06377e7f3d05bef2 [0,2,1,0,0,0|1,0,0]=4 3630 B10R0.71 O=CCCCCCNCCO 5900fdcb8d23fb631caf7cedc101f7cc [0,2,1,0,0,0|1,0,0]=4 3631 B10R0.71 O=CCCCCCNCCS 2fb0ddc52aeddceed6eae09394c217aa [0,2,1,0,0,0|1,0,0]=4 3632 B10R0.71 O=CCCCCCOCCF 98cacaca4e8ede373811d5cde2ab4c9b [0,2,1,0,0,0|1,0,0]=4 3633 B10R0.71 O=CCCCCCOCCS 2f6108722dde7b523931d5c9372c1a36 [0,2,1,0,0,0|1,0,0]=4 3634 B10R0.71 O=CCCCCNCCCCl 66911fa23f4f0d1c07b1a30acbc0c86e [0,2,1,0,0,0|1,0,0]=4 3635 B10R0.71 O=CCCCCNCCCO 7d2ca72bf8bb26fa78069088f8a3b039 [0,2,1,0,0,0|1,0,0]=4 3636 B10R0.71 O=CCCCCOCCCF bf25fb5f7b3fbecdce38c9cebf982cae [0,2,1,0,0,0|1,0,0]=4 3637 B10R0.71 O=CCCCCOCCCS f9b289c1addeb43020e2e407709becde [0,2,1,0,0,0|1,0,0]=4 3638 B10R0.71 O=CCCCNCCCCCl 01c07df0d04c5aa249d48ab88b16983b [0,2,1,0,0,0|1,0,0]=4 3639 B10R0.71 O=CCCCNCCCCO 07eb4dce5dd254d016caf3b4b0f853f3 [0,2,1,0,0,0|1,0,0]=4 3640 B10R0.71 O=CCCCNCCCCS 84ee6a41eb689af19538015c112b5fe9 [0,2,1,0,0,0|1,0,0]=4 3641 B10R0.71 O=CCCCOCCCCF 0ae42a4b5606397824b501f68d89475f [0,2,1,0,0,0|1,0,0]=4 3642 B10R0.71 O=CCCCOCCCCS 702c1d77a7590794fcf27cd7245f71c0 [0,2,1,0,0,0|1,0,0]=4 3643 B10R0.71 O=CCCCOCCOC=O 67024cd5fe1c389975bfbeedcd296c7c [0,2,1,0,0,0|0,0,1]=4 3644 B10R0.71 O=CCCNCCCCCCl 8c6536c28989c474ae6d35672a043025 [0,2,1,0,0,0|1,0,0]=4 3645 B10R0.71 O=CCCNCCCCCO e97db855c638d6ab4c487d701aef387d [0,2,1,0,0,0|1,0,0]=4 3646 B10R0.71 O=CCCOCCCCCF a2a70aef945b02fd2ca057b1ab953c12 [0,2,1,0,0,0|1,0,0]=4 3647 B10R0.71 O=CCNCCCCCCCl 68b816c3cf0dbe44c5b6dbb1eb70e058 [0,2,1,0,0,0|1,0,0]=4 3648 B10R0.71 O=CCNCCCCCCO a01d155e25e8de1494aee669d2de79cd [0,2,1,0,0,0|1,0,0]=4 3649 B10R0.71 O=CCOCCCCCCF eb26fffba950986291b67a4251085ad8 [0,2,1,0,0,0|0,0,0]=3 3650 B10R0.71 O=CCOCCCCCCS 022fd987f7859973cf4950962786755e [0,2,1,0,0,0|0,0,0]=3 3651 B10R0.71 O=CCOCCNCCCCl 48b9787e0608b95defdc6f006cab24a6 [0,2,1,0,0,0|1,0,0]=4 3652 B10R0.71 O=CCOCCNCCCO 8873736f61a1f76c00a0e5f11773edb5 [0,2,1,0,0,0|1,0,0]=4 3653 B10R0.71 O=CCOCCOCCCF 5bff8fedf9eb90c187cbd80fbc727665 [0,2,1,0,0,0|1,0,0]=4 3654 B10R0.71 O=CCOCCOCCCS 66557e1b14fc2c65d93ab2088fef5614 [0,2,1,0,0,0|1,0,0]=4 3655 B10R0.71 O=CNCCCCCCCO 862a670259a59d4910de7b21ab417c1e [0,2,1,0,0,0|1,0,0]=4 3656 B10R0.71 O=CNCCCCSCCO 113be1ccd5ba9c40ecea4ca66f11e772 [0,2,1,0,0,0|1,0,0]=4 3657 B10R0.71 O=CNCCCOCCCO 09b4a54f3f222e5325faff177ef32d8a [0,2,1,0,0,0|1,0,0]=4 3658 B10R0.71 O=CNCCOCCCCF 7db000c09757df7662435df644771dae [0,2,1,0,0,0|1,0,0]=4 3659 B10R0.71 O=COCCOCCCCF daeb7ee7bc00c358a2f6948658a1fb5d [0,2,1,0,0,0|0,0,0]=3 3660 B10R0.41 CCC(C=O)OCCOC=O 729c00244f1ef23766203e0ccdedc88e [0,2,1,0,0,0|1,0,0]=4 3661 B10R0.41 CCC(CC)OCCOC=O 4170f6169d68bab2d31fd39a4289c28b [0,2,1,0,0,0|1,0,0]=4 3662 B10R0.54 CCC(O)C(CC)NC(=O)C 8173c50f6a5f4f170fc27a94c001de7f [0,2,1,0,0,0|1,0,0]=4 3663 B10R0.79 CCCC(CC(=O)O)NCC e59378123eb1fadb964cce170d4f9118 [0,2,1,0,0,0|1,0,0]=4 3664 B10R0.79 CCCC(CC(=O)O)OCC be1b338ef9e1f58acc61d9b5829ad340 [0,2,1,0,0,0|1,0,0]=4 3665 B10R0.79 CCCC(CCC)NC(=O)C cd5d084b76d6d8d41e9213aa9546d2e7 [0,2,1,0,0,0|1,0,0]=4 3666 B10R0.79 CCCC(CCO)NC(=O)C f2edef0c748dbc9ed9335627f12a1a76 [0,2,1,0,0,0|1,0,0]=4 3667 B10R0.79 CCC[C@@H](CC(=O)O)NCC 183c17e00acdb7ca61739a44ee5f2332 [0,2,1,0,0,0|1,0,0]=4 3668 B10R0.79 COC[C@@H](CC(C)C)NC=O b4dc82b944f150c0bdfc78fc8e77b2c2 [0,2,1,0,0,0|1,0,0]=4 3669 B10R0.111 CCCC(C#N)(CC)NC=O cc3412bed1b31ead0b998fc84d6eba1c [0,2,1,0,0,0|1,0,0]=4 3670 B10R1.3 CCC1CCN(CC1)C=O 0f7c00c20a40ae5056ab69ed4bc07700 [1,2,0,0,0,0|1,0,0]=4 3671 B10R1.3 CCN1CCC(CC1)C=O e42114532df26d87ab8a26f60a4b1426 [1,2,0,0,0,0|1,0,0]=4 3672 B10R1.3 COC1CCN(CC1)C=O 07d7cb870935d90e38ad35f0a6eb9b82 [1,2,0,0,0,0|1,0,0]=4 3673 B10R1.3 CSC1CCN(CC1)C=O 11b9fcae91ab5d1a4133fd147f7b0f5b [1,2,0,0,0,0|1,0,0]=4 3674 B10R1.3 N#CC1CCN(CC1)C=O 08bfc10fb22503132150fe00e8fc0420 [1,2,0,0,0,0|1,0,0]=4 3675 B10R1.3 O=CC1CCN(CC1)C=O 2464a99804b86d7c53be6fc376583bb8 [1,2,0,0,0,0|1,0,0]=4 3676 B10R1.3 O=CC1CCN(CC1)CF 8dda3bddb5bc75b33cac78757bc53ec9 [1,2,0,0,0,0|1,0,0]=4 3677 B10R1.3 O=CC1CCN(CC1)CO 933e0020291a087a294d2f08e999a422 [1,2,0,0,0,0|1,0,0]=4 3678 B10R1.3 O=CN1CCC(CC1)CF b5e9f7ea89b20572159450e444de774d [1,2,0,0,0,0|1,0,0]=4 3679 B10R1.3 O=CN1CCC(CC1)CO 85c7636c0351ce49e83341d18a100be6 [1,2,0,0,0,0|1,0,0]=4 3680 B10R1.13 CC(=O)N1CCC(CC1)C 1b760e49050c38e65a44c83de7209996 [1,2,0,0,0,0|1,0,0]=4 3681 B10R1.13 CC(=O)N1CCC(CC1)Cl 35635043eca145d596ab1f8e523f4267 [1,2,0,0,0,0|1,0,0]=4 3682 B10R1.13 CC(=O)N1CCC(CC1)F 2ce6b5081a0230bcfc598094a8df4a7e [1,2,0,0,0,0|1,0,0]=4 3683 B10R1.13 CC(=O)N1CCC(CC1)I 71e1bd31980c8dd28fdd30de6ddf3ac6 [1,2,0,0,0,0|1,0,0]=4 3684 B10R1.13 CC(=O)N1CCC(CC1)O 1481df3e605d80311e18ec650d4bb707 [1,2,0,0,0,0|1,0,0]=4 3685 B10R1.25 CC1CC(CCN1C=O)O 5fe338fbcff872ebabda0acbbb296137 [1,2,0,0,0,0|1,0,0]=4 3686 B10R1.25 CC1CCN(C(C1)C)C=O d0ae47647de4238d6ddf0afb15714255 [1,2,0,0,0,0|1,0,0]=4 3687 B10R1.25 C[C@@H]1CCN([C@@H](C1)C)C=O e8d62963b56fa21bde585709290c452c [1,2,0,0,0,0|1,0,0]=4 3688 B10R1.25 C[C@@H]1C[C@@H](CCN1C=O)O 55e46069810c87a3ab82cc39357535c8 [1,2,0,0,0,0|1,0,0]=4 3689 B10R1.25 C[C@@H]1C[C@H](CCN1C=O)O fb872f7126a379e6bbfa6a09653e1fbb [1,2,0,0,0,0|1,0,0]=4 3690 B10R1.25 C[C@H]1CCN([C@H](C1)C)C=O 29c21008b0fb95a1bd335da9e423aefb [1,2,0,0,0,0|1,0,0]=4 3691 B10R1.26 CC1(CCN(CC1)C=O)C 0194f75d9307792a3ab2ffe537fb7f67 [1,2,0,0,0,0|1,0,0]=4 3692 B10R1.26 CC1(CCN(CC1)C=O)O 77a2e5cdf190f7f869e2455e3c5afa35 [1,2,0,0,0,0|1,0,0]=4 3693 B10R1.26 O=CN1CCC(CC1)(F)F fbed9f3ef6543036bd89c14ebf6ddda8 [1,2,0,0,0,0|1,0,0]=4 3694 B10R1.176 CC1CCN(CC1O)C=O d5f48301a87769511e2a5cfb323fec6d [1,2,0,0,0,0|1,0,0]=4 3695 B10R1.176 CC1CN(CCC1O)C=O 4595f1e35c69e74c1ad9d41eab5effe7 [1,2,0,0,0,0|1,0,0]=4 3696 B10R1.176 C[C@@H]1CCN(C[C@@H]1O)C=O 5c05d1905416723ded5c27a877a60d26 [1,2,0,0,0,0|1,0,0]=4 3697 B10R1.176 C[C@@H]1CCN(C[C@H]1O)C=O 6fbbe27cfdd366fc29bd762ca5d56bb3 [1,2,0,0,0,0|1,0,0]=4 3698 B10R1.176 C[C@@H]1CN(CC[C@H]1O)C=O b4085edf87586a0e1dc0ffc7bd57480d [1,2,0,0,0,0|1,0,0]=4 3699 B10R1.176 C[C@H]1CCN(C[C@@H]1O)C=O e449325255df37632a68e029ef16c8b7 [1,2,0,0,0,0|1,0,0]=4 3700 B10R1.176 C[C@H]1CCN(C[C@H]1O)C=O 6636344910345cf4445cbbd06d804ffe [1,2,0,0,0,0|1,0,0]=4 3701 B10R1.176 C[C@H]1CN(CC[C@H]1O)C=O f94d8bd6f3ceee32551e6a3c2b186d51 [1,2,0,0,0,0|1,0,0]=4 3702 B10R1.176 O=CN1CC[C@@H]([C@H](C1)O)O 20d75aa3c112f2b9dba4fc06d3f3d4e5 [1,2,0,0,0,0|1,0,0]=4 3703 B10R1.176 O=CN1CC[C@H]([C@@H](C1)F)O 3e8f6f838abfbbd73b8bebd41624ef03 [1,2,0,0,0,0|1,0,0]=4 3704 B10R1.176 O=CN1CC[C@H]([C@@H](C1)O)F eecc9eae4feefdbe5b5c836d82282826 [1,2,0,0,0,0|1,0,0]=4 3705 B10R1.176 O=CN1CC[C@H]([C@H](C1)F)O 43428ee554c9064f368724323b99caad [1,2,0,0,0,0|1,0,0]=4 3706 B10R1.176 O=CN1CC[C@H]([C@H](C1)O)F 6f46f6a65a3c4d868ce4ae7828d4ec77 [1,2,0,0,0,0|1,0,0]=4 3707 B10R1.2 CC1C(CCCN1C=O)O 2a1b9d864824c13b5925eaf663265aef [1,2,0,0,0,0|1,0,0]=4 3708 B10R1.2 C[C@@H]1[C@H](CCCN1C=O)O 6d7541523fecb90672f86793cf69bd27 [1,2,0,0,0,0|1,0,0]=4 3709 B10R1.2 C[C@H]1[C@@H](CCCN1C=O)O b9b4b3538f04b83d7d0b8cfff1133139 [1,2,0,0,0,0|1,0,0]=4 3710 B10R1.8 CC1CC(CN(C1)C=O)C 0c5df02e192146816f01ef9f9eb2ca30 [1,2,0,0,0,0|1,0,0]=4 3711 B10R1.8 C[C@@H]1C[C@@H](CN(C1)C=O)C d39d4ab7d38561cd234cdaba15fcbad2 [1,2,0,0,0,0|1,0,0]=4 3712 B10R1.8 O=CN1CC(CC(C1)O)O 31a57cc36aa0f52de1ce0ff965f759ab [1,2,0,0,0,0|1,0,0]=4 3713 B10R1.8 O=CN1C[C@@H](C[C@@H](C1)O)O 1894c7debc93308bec38ec7ee3bcbbc0 [1,2,0,0,0,0|1,0,0]=4 3714 B10R1.8 O=CN1C[C@@H](C[C@H](C1)O)O 70c13e1a82c11281e7c248fd076f0349 [1,2,0,0,0,0|1,0,0]=4 3715 B10R1.8 O=CN1C[C@H](C[C@@H](C1)O)O b18871984865aca4d1d589c9c913783d [1,2,0,0,0,0|1,0,0]=4 3716 B10R1.30 CC1CCC(CN1C=O)O 7b005dd5eef9df2edfa5eb5e1ac782fd [1,2,0,0,0,0|1,0,0]=4 3717 B10R1.30 C[C@@H]1CC[C@H](CN1C=O)O afd6f269a6e3407d07512f25baf71ffe [1,2,0,0,0,0|1,0,0]=4 3718 B10R1.113 CC(=O)N1CCCC(C1)C 0e9a46771d1161daa776ff1d4221f7fe [1,2,0,0,0,0|1,0,0]=4 3719 B10R1.113 CC(=O)N1CCCC(C1)F ecfd90044ded717974c316fb37c4acae [1,2,0,0,0,0|1,0,0]=4 3720 B10R1.113 CC(=O)N1CCCC(C1)O ee540cedaa1a73223284cbbba0d7cd09 [1,2,0,0,0,0|1,0,0]=4 3721 B10R1.113 CC(=O)N1CCC[C@@H](C1)C b765ed1c62124058c9e1d3ef1c7b9e7a [1,2,0,0,0,0|1,0,0]=4 3722 B10R1.113 CC(=O)N1CCC[C@@H](C1)F 8eefb09c059e9a4a8a9ca29f030a2153 [1,2,0,0,0,0|1,0,0]=4 3723 B10R1.113 CC(=O)N1CCC[C@@H](C1)O 7fdf4d521b5ee53ca37891b5a4dd6495 [1,2,0,0,0,0|1,0,0]=4 3724 B10R1.113 CC(=O)N1CCC[C@H](C1)C 69b5ef44bfcf1188d639c1f277bb097d [1,2,0,0,0,0|1,0,0]=4 3725 B10R1.113 CC(=O)N1CCC[C@H](C1)F 7833fe84784a72fa516bed041bd9bac2 [1,2,0,0,0,0|1,0,0]=4 3726 B10R1.113 CC(=O)N1CCC[C@H](C1)O 45f5d9af1194bdf7e75f97a0993057a0 [1,2,0,0,0,0|1,0,0]=4 3727 B10R1.171 CC1(CCCN(C1)C=O)C 5754a7e7c93728818de7a81ccc20d1b3 [1,2,0,0,0,0|1,0,0]=4 3728 B10R1.171 CC1(CCCN(C1)C=O)O 4139709d265c5ba3a89f5053e6d827b0 [1,2,0,0,0,0|1,0,0]=4 3729 B10R1.171 C[C@@]1(CCCN(C1)C=O)O d68eab3d9fdee30a7134b5d7a6d4df3b [1,2,0,0,0,0|1,0,0]=4 3730 B10R1.171 C[C@]1(CCCN(C1)C=O)O 9a79cdb7bca8732469e9dbf227d70fc1 [1,2,0,0,0,0|1,0,0]=4 3731 B10R1.171 O=CN1CCCC(C1)(F)F d5133f82b2ac1d616b12007c04cb618c [1,2,0,0,0,0|1,0,0]=4 3732 B10R1.172 C#CC1CCCN(C1)C=O a2a52cca6755cbd284967ceae258cf20 [1,2,0,0,0,0|1,0,0]=4 3733 B10R1.172 CCC1CCCN(C1)C=O ebb5f49a23f9ba47a405491329eb8ec3 [1,2,0,0,0,0|1,0,0]=4 3734 B10R1.172 COC1CCCN(C1)C=O 80a959e1c2efc6f23dedd1932f1dcd6d [1,2,0,0,0,0|1,0,0]=4 3735 B10R1.172 CO[C@@H]1CCCN(C1)C=O 2ab3c028b04f24329a50af0b00160664 [1,2,0,0,0,0|1,0,0]=4 3736 B10R1.172 CO[C@H]1CCCN(C1)C=O 0d0fe13862db3a99303868adf81624f7 [1,2,0,0,0,0|1,0,0]=4 3737 B10R1.172 N#CC1CCCN(C1)C=O ee5d57cf13e43ca80d40bd86032f4b73 [1,2,0,0,0,0|1,0,0]=4 3738 B10R1.172 N#C[C@@H]1CCCN(C1)C=O 1f74f5db43870fd53159cf9935b87ec8 [1,2,0,0,0,0|1,0,0]=4 3739 B10R1.172 O=CN1CCCC(C1)CO e018e125acbd02f7ec52656e0f5f6cf0 [1,2,0,0,0,0|1,0,0]=4 3740 B10R1.172 O=CN1CCC[C@@H](C1)CO 2dd87be154f33d8c4064a366fa6de983 [1,2,0,0,0,0|1,0,0]=4 3741 B10R1.172 O=CN1CCC[C@H](C1)CO 8a9bdff0624156c45228762999f26961 [1,2,0,0,0,0|1,0,0]=4 3742 B10R1.61 CC(=O)N1CCCCC1C 4f5cacb6e20ae65458b172f21fa4c03b [1,2,0,0,0,0|1,0,0]=4 3743 B10R1.61 CC(=O)N1CCCC[C@@H]1C 88289ec06bdb4324567eee30991d3abe [1,2,0,0,0,0|1,0,0]=4 3744 B10R1.61 CC(=O)N1CCCC[C@H]1C 3deac15cb8095a5a8513253ec4f9434f [1,2,0,0,0,0|1,0,0]=4 3745 B10R1.20 C#CC1CCCCN1C=O 3d2387880681922b74551e129ec4c1ce [1,2,0,0,0,0|1,0,0]=4 3746 B10R1.20 CCC1CCCCN1C=O 27a4a5b5f21fa731674f9aa01a3c227e [1,2,0,0,0,0|1,0,0]=4 3747 B10R1.20 CCN1CCCCC1C=O 57d72406aab1a9f4330e5d48c26c2322 [1,2,0,0,0,0|1,0,0]=4 3748 B10R1.20 CC[C@@H]1CCCCN1C=O 1d50945c7648c106577c77f3f40d5082 [1,2,0,0,0,0|1,0,0]=4 3749 B10R1.20 CC[C@H]1CCCCN1C=O 8ae182ce76973d922887541423f6cc7c [1,2,0,0,0,0|1,0,0]=4 3750 B10R1.20 O=CC1CCCCN1C=O 21a115fa88bf304210180b22487675ac [1,2,0,0,0,0|1,0,0]=4 3751 B10R1.20 O=CC1CCCCN1CF d0b91d53e84ec1e5d64a859f120f6826 [1,2,0,0,0,0|1,0,0]=4 3752 B10R1.20 O=CC1CCCCN1CO 652308c5b1825f45d9c1de6d82aa2b27 [1,2,0,0,0,0|1,0,0]=4 3753 B10R1.20 O=CN1CCCCC1CO 07e2943a686a28971f94c77c32e8d4ac [1,2,0,0,0,0|1,0,0]=4 3754 B10R1.20 O=CN1CCCC[C@@H]1CO 0bc87d4b55d8a4380a897b91dfec074b [1,2,0,0,0,0|1,0,0]=4 3755 B10R1.20 O=CN1CCCC[C@H]1CO e2cc28d054fc52fba804f3f9d95f0e67 [1,2,0,0,0,0|1,0,0]=4 3756 B10R1.38 CC1(CCCCN1C=O)C ae6587fc5f84afc3a79f1000db32e637 [1,2,0,0,0,0|1,0,0]=4 3757 B10R1.245 CC1CCCC(N1C=O)C 1a30b5cb607c77faa4597603dd875d8f [1,2,0,0,0,0|1,0,0]=4 3758 B10R1.245 C[C@@H]1CCC[C@@H](N1C=O)C a6d663435f3f86501af6d316ae61f032 [1,2,0,0,0,0|1,0,0]=4 3759 B10R1.245 C[C@@H]1CCC[C@H](N1C=O)C 854deca45d05ea72b33eea6028c2f268 [1,2,0,0,0,0|1,0,0]=4 3760 B10R1.245 C[C@H]1CCC[C@@H](N1C=O)C 622b818546739aa55bd37329ec1c59c9 [1,2,0,0,0,0|1,0,0]=4 3761 B10R1.14 CN(C=O)C1CCC(C1)O c40ffedb60def2c3bf53a8d4f8a556f0 [0,2,0,0,1,0|1,0,0]=4 3762 B10R1.14 CN(C=O)[C@@H]1CC[C@@H](C1)O e5aaa22648435c8971a12e3620a7b715 [0,2,0,0,1,0|1,0,0]=4 3763 B10R1.16 C=CCOC1CCC(C1)C 043cdd86da1432407bbc873b39e0b319 [0,2,0,0,1,0|1,0,0]=4 3764 B10R1.16 C=CCOC1CCC(C1)F 164a308f81b5bb0b84d7622d583c1387 [0,2,0,0,1,0|1,0,0]=4 3765 B10R1.16 CC1CC(CO1)OCC=O 2573d4c86f5ca6ab8ea3cf762eb8deb2 [0,2,0,0,1,0|1,0,0]=4 3766 B10R1.16 CC1CCC(C1)NCC=O ee9b58e1d5757cd104744974e13df642 [0,2,0,0,1,0|1,0,0]=4 3767 B10R1.16 CC1CCC(C1)OCC=O 7e125eee215eae34230167e4b233a063 [0,2,0,0,1,0|0,0,0]=3 3768 B10R1.16 CN1CCC(C1)OCC=O ac84348d789ce6ede9ff885f1b5a8be4 [0,2,0,0,1,0|1,0,0]=4 3769 B10R1.16 CN1CC[C@@H](C1)OCC=O 049ca8cbdf288177a9d07230485caead [0,2,0,0,1,0|1,0,0]=4 3770 B10R1.16 CN1CC[C@H](C1)OCC=O 5a7a84a43e55194e43ce1fa5dbde932f [0,2,0,0,1,0|1,0,0]=4 3771 B10R1.16 O=CCNC1CCC(C1)O cec4213a4cbd4e484d3c38e3625358b4 [0,2,0,0,1,0|1,0,0]=4 3772 B10R1.16 O=CCN[C@@H]1CC[C@@H](C1)O 9f1267febb99f1cd1220cbebfe4b9f22 [0,2,0,0,1,0|1,0,0]=4 3773 B10R1.16 O=CCN[C@@H]1CC[C@H](C1)O a9c9b78c45d98fccafc5885c43c8a491 [0,2,0,0,1,0|1,0,0]=4 3774 B10R1.16 O=CCN[C@H]1CC[C@@H](C1)O 91bd705a262cb95d6e25f5c426e7a714 [0,2,0,0,1,0|1,0,0]=4 3775 B10R1.16 O=CCN[C@H]1CC[C@H](C1)O f0a81f57f8856f4fb100dd2319eb8b9a [0,2,0,0,1,0|1,0,0]=4 3776 B10R1.16 O=CCOC1CCC(=O)C1 22d4f4f9b90026441fb573a43f4467dc [0,2,0,0,1,0|0,0,1]=4 3777 B10R1.16 O=CCOC1CCC(C1)F 109e673559dcfb8882ba1d5446d7ff0c [0,2,0,0,1,0|0,0,0]=3 3778 B10R1.16 O=CNCC1CCC(C1)O 6d86f1cef0ac7cb23293c1412c087ef4 [0,2,0,0,1,0|1,0,0]=4 3779 B10R1.54 CC(=O)NC1CCC(C1)C 1662f3e59706b2e0b9c86006d2f191db [0,2,0,0,1,0|1,0,0]=4 3780 B10R1.54 CC(=O)NC1CCC(C1)O 8df0ebcee037b9fdc688d44933d4c3db [0,2,0,0,1,0|1,0,0]=4 3781 B10R1.54 CC(=O)N[C@@H]1CC[C@@H](C1)O bd5d5487a5426aee6c8b85f7d6a82f6d [0,2,0,0,1,0|1,0,0]=4 3782 B10R1.54 CC(=O)N[C@@H]1CC[C@H](C1)O e9b3bd4a14f9308205f6e539850076b4 [0,2,0,0,1,0|1,0,0]=4 3783 B10R1.54 CC(=O)N[C@H]1CC[C@@H](C1)O 9699b4c6ebe806fb645f613f502422f4 [0,2,0,0,1,0|1,0,0]=4 3784 B10R1.54 CC(=O)N[C@H]1CC[C@H](C1)O aee6acb4424af3e957060a2ce53ddcc8 [0,2,0,0,1,0|1,0,0]=4 3785 B10R1.95 CC1(CCC(C1)NC=O)C ea7b002271e2a14f20f80a2b46d766ab [0,2,0,0,1,0|1,0,0]=4 3786 B10R1.95 O=CNC1CCC(C1)(F)F d0fe5c0dcceb3fd591e4175d3f7b3c33 [0,2,0,0,1,0|1,0,0]=4 3787 B10R1.96 CO[C@H]1CC[C@H](C1)NC=O 1ea9675bc1b1cc20d6eade9be7664f69 [0,2,0,0,1,0|1,0,0]=4 3788 B10R1.96 O=CNC1CCC(C1)CO 43b5a32b5c3e2cb05af96856f7c2f6b9 [0,2,0,0,1,0|1,0,0]=4 3789 B10R1.96 O=CN[C@@H]1CC[C@@H](C1)CO 0800169faa16a73df4f102b64be54c0f [0,2,0,0,1,0|1,0,0]=4 3790 B10R1.96 O=CN[C@@H]1CC[C@H](C1)CO 6c669e9ae526706a64177341304689ac [0,2,0,0,1,0|1,0,0]=4 3791 B10R1.96 O=CN[C@H]1CC[C@@H](C1)CO 9a53a6a911c8ff4d4928c889e8224c6b [0,2,0,0,1,0|1,0,0]=4 3792 B10R1.96 O=CN[C@H]1CC[C@H](C1)CO a58b45c62b10271a0b1da182e00143a5 [0,2,0,0,1,0|1,0,0]=4 3793 B10R1.9 CCN(C=O)C1CCCC1 cda5aedd9dcfdaed6026628a0b488231 [0,2,0,0,1,0|1,0,0]=4 3794 B10R1.11 CC(NC=O)C1CCCC1 1bb1f72ed53576e8e504d44077f9d5f7 [0,2,0,0,1,0|1,0,0]=4 3795 B10R1.11 CN(CC=O)C1CCCC1 2929793a8b657d916653824cb9821be4 [0,2,0,0,1,0|1,0,0]=4 3796 B10R1.23 CC(=O)N(C)C1CCCC1 37a3ae82d72cb34070af60e7d609e543 [0,2,0,0,1,0|1,0,0]=4 3797 B10R1.149 CN(C=O)[C@@H]1CCC[C@@H]1O b6c30eade0ef7f30903df6e576fb5e43 [0,2,0,0,1,0|1,0,0]=4 3798 B10R1.149 CN(C=O)[C@@H]1CCC[C@H]1O da35cd5dd09e6b407ca313bd99083f60 [0,2,0,0,1,0|1,0,0]=4 3799 B10R1.149 CN(C=O)[C@H]1CCC[C@H]1O 8e1c33d194c44170d90d0df1a99db177 [0,2,0,0,1,0|1,0,0]=4 3800 B10R1.21 C/C=C/COC1CCCC1 bdbe26064b4f1863e9e15d1f2890bcc9 [0,2,0,0,1,0|1,0,0]=4 3801 B10R1.21 C/C=C\COC1CCCC1 e236b932345e43e30b00a93f0ddc53e0 [0,2,0,0,1,0|1,0,0]=4 3802 B10R1.21 C=CCCOC1CCCC1 b634ce48e5f09509293821af8bba1696 [0,2,0,0,1,0|1,0,0]=4 3803 B10R1.21 C=CCOCC1CCCC1 4f58000cdeccee000e6deb7cf301d096 [0,2,0,0,1,0|1,0,0]=4 3804 B10R1.21 CC=CCOC1CCCC1 5b0a62dfdbdaa58d7ad6eb6ae47e96b7 [0,2,0,0,1,0|1,0,0]=4 3805 B10R1.21 Cl/C=C/COC1CCCC1 696f90ed6b34b23215cac4fcba51048f [0,2,0,0,1,0|1,0,0]=4 3806 B10R1.21 Cl/C=C\COC1CCCC1 f415aaca0553e72775bada721f503ba6 [0,2,0,0,1,0|1,0,0]=4 3807 B10R1.21 ClC=CCOC1CCCC1 3c07e652965fa9e33ad8f4d5988d2e6f [0,2,0,0,1,0|1,0,0]=4 3808 B10R1.21 O=CCCNC1CCCC1 1914d2fc3aea86d2bb1d60fa968d7f69 [0,2,0,0,1,0|1,0,0]=4 3809 B10R1.21 O=CCCOC1CCCC1 6c08475dd920b0e3e0741f3c251acf5f [0,2,0,0,1,0|0,0,0]=3 3810 B10R1.21 O=CCCOC1CCCO1 1835452aff78bbcd262aa2c6ece08a12 [0,2,0,0,1,0|1,0,0]=4 3811 B10R1.21 O=CCCOC1CCOC1 6fce1f1e58a39814d12b4dee41a61333 [0,2,0,0,1,0|1,0,0]=4 3812 B10R1.21 O=CCCOC1CCSC1 567113737b392f164315c8735579b6f0 [0,2,0,0,1,0|1,0,0]=4 3813 B10R1.21 O=CCCO[C@@H]1CCOC1 6aa4bfa6aebcf90e3197de9e1f13e8df [0,2,0,0,1,0|1,0,0]=4 3814 B10R1.21 O=CCCO[C@@H]1CCSC1 2554f3cdd14ceac055ed37fb1bd282a7 [0,2,0,0,1,0|1,0,0]=4 3815 B10R1.21 O=CCCO[C@H]1CCOC1 8011d4c955dd033701641d7519f27aff [0,2,0,0,1,0|1,0,0]=4 3816 B10R1.21 O=CCCO[C@H]1CCSC1 d8a3f44fd4db47d52bb80e37e83f00eb [0,2,0,0,1,0|1,0,0]=4 3817 B10R1.21 O=CCNCC1CCCC1 8a51baee7dcbd7ebf906991b66b25d0f [0,2,0,0,1,0|1,0,0]=4 3818 B10R1.21 O=CCOCC1CCCC1 9d1166c142e69388e76f4578e8b98a31 [0,2,0,0,1,0|0,0,0]=3 3819 B10R1.21 O=CCOCC1CCCO1 9b305258563b1d197dcf6a0340481b7d [0,2,0,0,1,0|1,0,0]=4 3820 B10R1.21 O=CCOCC1CCCS1 7dbcd62f1c88710fcb1380c145d969ad [0,2,0,0,1,0|1,0,0]=4 3821 B10R1.21 O=CCOCC1CCOC1 baca7c220e532ca9b030986dba83b6f7 [0,2,0,0,1,0|1,0,0]=4 3822 B10R1.21 O=CCOCN1CCCC1 4f4ed04b7a92ec82715d033f8ed73141 [0,2,0,0,1,0|1,0,0]=4 3823 B10R1.21 O=CCOC[C@@H]1CCCO1 22ef27558e0db554e0e97363ba4fb874 [0,2,0,0,1,0|1,0,0]=4 3824 B10R1.21 O=CCOC[C@@H]1CCOC1 e3e9054941257453435dbdab44fbf048 [0,2,0,0,1,0|1,0,0]=4 3825 B10R1.21 O=CCOC[C@H]1CCCO1 e795ea4249def3aedce2b5fb22800920 [0,2,0,0,1,0|1,0,0]=4 3826 B10R1.21 O=CCOC[C@H]1CCOC1 227572a911947b822ffcdc86b9de0015 [0,2,0,0,1,0|1,0,0]=4 3827 B10R1.21 O=CNCCC1CCCC1 b96a40e79256b00a3ae18cb12592007a [0,2,0,0,1,0|1,0,0]=4 3828 B10R1.27 C#CC(=O)NC1CCCC1 de9db58801a77dd87541b7b97e98096f [0,2,0,0,1,0|1,0,0]=4 3829 B10R1.27 C=C(C=O)OC1CCCC1 aa71e1acb4595ccfa91bdf03ff01b1cc [0,2,0,0,1,0|0,0,0]=3 3830 B10R1.27 C=C(C=O)OC1CCOC1 b274bfc184765a9ac422f88dc0d8a431 [0,2,0,0,1,0|1,0,0]=4 3831 B10R1.27 C=C(C=O)O[C@@H]1CCOC1 88800b44455e04704e167191aae70b89 [0,2,0,0,1,0|1,0,0]=4 3832 B10R1.27 C=C(C=O)O[C@H]1CCOC1 7429d145b21011d6ecf07c9e3a8d1cee [0,2,0,0,1,0|1,0,0]=4 3833 B10R1.27 C=CC(=O)NC1CCCC1 84416e68d7a2d3622f40e0d6fa2a4911 [0,2,0,0,1,0|1,0,0]=4 3834 B10R1.27 C=CC(C)OC1CCCC1 e654cf99abd51ebeaa00009d4e796a5e [0,2,0,0,1,0|1,0,0]=4 3835 B10R1.27 C=C[C@H](C)OC1CCCC1 365285a73473e1648f4eba2dda16ece4 [0,2,0,0,1,0|1,0,0]=4 3836 B10R1.27 CC(C=O)NC1CCCC1 e4d986dfdd874e2641cf92a6885209f5 [0,2,0,0,1,0|1,0,0]=4 3837 B10R1.27 CC(C=O)OC1CCCC1 1533501a66f4479fbf99ffa4983b9e50 [0,2,0,0,1,0|0,0,0]=3 3838 B10R1.27 CC(C=O)OC1CCCO1 9c50ee15d9766d84c4e1aaa56b224c17 [0,2,0,0,1,0|1,0,0]=4 3839 B10R1.27 CC(C=O)OC1CCOC1 60b1eb983259cf1b55604f4857516bc7 [0,2,0,0,1,0|1,0,0]=4 3840 B10R1.27 CC(C=O)OC1CCSC1 f9aa27e3bb6fb34ea3588d26cfca6c03 [0,2,0,0,1,0|1,0,0]=4 3841 B10R1.27 CC(C=O)O[C@@H]1CCOC1 5a018d814a45eada244b8c8cff095db1 [0,2,0,0,1,0|1,0,0]=4 3842 B10R1.27 CC(C=O)O[C@@H]1CCSC1 338b0d8cb1ee1abecf1c4e1816eeae65 [0,2,0,0,1,0|1,0,0]=4 3843 B10R1.27 CC(C=O)O[C@H]1CCOC1 47636c7e7b94e9f55acc9d2e8ba08595 [0,2,0,0,1,0|1,0,0]=4 3844 B10R1.27 CC(C=O)O[C@H]1CCSC1 53e8ac26f72767a1030c4e2cd1709237 [0,2,0,0,1,0|1,0,0]=4 3845 B10R1.27 CCC(=O)NC1CCCC1 ad0e329a839e42fb4e68b66bf7fc6efa [0,2,0,0,1,0|1,0,0]=4 3846 B10R1.27 CN(C=O)CC1CCCC1 e982374c9a58291cf05d6a2d4b0b8b6f [0,2,0,0,1,0|1,0,0]=4 3847 B10R1.27 C[C@H](C=O)NC1CCCC1 3064a5c964e5cb42f87097337d70b714 [0,2,0,0,1,0|1,0,0]=4 3848 B10R1.27 C[C@H](C=O)OC1CCCC1 dd842974bb5ef701a920ffcc823c4eb4 [0,2,0,0,1,0|0,0,0]=3 3849 B10R1.27 C[C@H](C=O)OC1CCCO1 5af30e5235819daf911134b3c884ccc8 [0,2,0,0,1,0|1,0,0]=4 3850 B10R1.27 C[C@H](C=O)OC1CCOC1 f749701029db202be66dd4fae6d84373 [0,2,0,0,1,0|1,0,0]=4 3851 B10R1.27 C[C@H](C=O)OC1CCSC1 89e089686881d1f1271668dce500f19b [0,2,0,0,1,0|1,0,0]=4 3852 B10R1.27 C[C@H](C=O)O[C@@H]1CCOC1 b1c13f59a4bad8655171e689483a63b7 [0,2,0,0,1,0|1,0,0]=4 3853 B10R1.27 C[C@H](C=O)O[C@@H]1CCSC1 b9c238d724d1f3ee750eddcacfbfc8e1 [0,2,0,0,1,0|1,0,0]=4 3854 B10R1.27 C[C@H](C=O)O[C@H]1CCOC1 4c0a8f2a2594e0a40feecdbfc53c22ba [0,2,0,0,1,0|1,0,0]=4 3855 B10R1.27 C[C@H](C=O)O[C@H]1CCSC1 9ebc78b369cc488e4c1343c95010c24d [0,2,0,0,1,0|1,0,0]=4 3856 B10R1.27 O=C(CF)NC1CCCC1 7def253a7d58d7abaf0b2c052c6b4bd2 [0,2,0,0,1,0|1,0,0]=4 3857 B10R1.27 O=C(CO)NC1CCCC1 a2af8330b212ec9a8ca0312ee053bb08 [0,2,0,0,1,0|1,0,0]=4 3858 B10R1.27 O=C(CS)NC1CCCC1 e18c16444a3ea35ed584a201cdde414c [0,2,0,0,1,0|1,0,0]=4 3859 B10R1.27 O=CC(=O)NC1CCCC1 5ff796fc3e93b42e9b485fd305c2093a [0,2,0,0,1,0|1,0,0]=4 3860 B10R1.29 C=CCOC1CCCC1C 486014a654e1f3f2e45ce1e8383e71a0 [0,2,0,0,1,0|1,0,0]=4 3861 B10R1.29 C=CCO[C@@H]1CCC[C@@H]1C 9a4d4796ef3be37c479f58e374940c92 [0,2,0,0,1,0|1,0,0]=4 3862 B10R1.29 C=CCO[C@@H]1CCC[C@H]1C 3846cbc9bf62e3b0668d1ee85a60509d [0,2,0,0,1,0|1,0,0]=4 3863 B10R1.29 C=CCO[C@@H]1CCC[C@H]1F c77da3cb8761e005ea49218873e09b12 [0,2,0,0,1,0|1,0,0]=4 3864 B10R1.29 C=CCO[C@H]1CCC[C@@H]1C 787eb1cb262768b1b9f3075ca34bc6d0 [0,2,0,0,1,0|1,0,0]=4 3865 B10R1.29 C=CCO[C@H]1CCC[C@H]1C 461c339e7e294426d5538b7f7c216df7 [0,2,0,0,1,0|1,0,0]=4 3866 B10R1.29 CC1CCCC1OCC=O 66724f794d325b0a5984e745747c9503 [0,2,0,0,1,0|0,0,0]=3 3867 B10R1.29 CC1COCC1OCC=O 37c3cffcecd3be0fa70ae1bb2d812787 [0,2,0,0,1,0|1,0,0]=4 3868 B10R1.29 C[C@@H]1CCC[C@@H]1OCC=O 92e5c41b38a337772c525cf464ea11d5 [0,2,0,0,1,0|0,0,0]=3 3869 B10R1.29 C[C@@H]1CCC[C@H]1OCC=O 4b27c24c54925b5a111970ec4aba4695 [0,2,0,0,1,0|0,0,0]=3 3870 B10R1.29 C[C@@H]1COC[C@@H]1OCC=O de9ce8db8e96c6503b4fb93b0b7a8f18 [0,2,0,0,1,0|1,0,0]=4 3871 B10R1.29 C[C@H]1CCC[C@@H]1OCC=O a2127af4cd50d9828b5106d0b38d1227 [0,2,0,0,1,0|0,0,0]=3 3872 B10R1.29 C[C@H]1CCC[C@H]1OCC=O 8ac1b2c4dc0d613987962ae01ddb526c [0,2,0,0,1,0|0,0,0]=3 3873 B10R1.29 C[C@H]1COC[C@@H]1OCC=O 9ba9bcf787b79a4ceed95a50a87a9b56 [0,2,0,0,1,0|1,0,0]=4 3874 B10R1.29 C[C@H]1COC[C@H]1OCC=O 903d36f825c0f5dabdafdd31cc07153e [0,2,0,0,1,0|1,0,0]=4 3875 B10R1.29 O=CCNC1CCCC1O e877fff693b86c49df3fd5f64e509f4f [0,2,0,0,1,0|1,0,0]=4 3876 B10R1.29 O=CCN[C@@H]1CCC[C@@H]1O 17810bdb855a507c34aa2e6df2879d12 [0,2,0,0,1,0|1,0,0]=4 3877 B10R1.29 O=CCN[C@@H]1CCC[C@H]1O c1de8e583140dba113f7ef8c3c9da79d [0,2,0,0,1,0|1,0,0]=4 3878 B10R1.29 O=CCN[C@H]1CCC[C@@H]1O 3aed5a00ae4d60f05e3e8c975197f027 [0,2,0,0,1,0|1,0,0]=4 3879 B10R1.29 O=CCN[C@H]1CCC[C@H]1O 3428b72e7328838526acdc22816483ce [0,2,0,0,1,0|1,0,0]=4 3880 B10R1.29 O=CCOC1CCCC1=O 4eff49ffc86550920140ccf5b8449986 [0,2,0,0,1,0|0,0,1]=4 3881 B10R1.29 O=CCOC1COCC1F aa25711fb289e54bba7195aab4748730 [0,2,0,0,1,0|1,0,0]=4 3882 B10R1.29 O=CCO[C@@H]1CCC[C@H]1F 9ac299005fc1783cfc24333fcb75e0d5 [0,2,0,0,1,0|0,0,0]=3 3883 B10R1.29 O=CCO[C@@H]1COC[C@H]1F 7e872881ce7eb320e0775e08f5622ac9 [0,2,0,0,1,0|1,0,0]=4 3884 B10R1.29 O=CCO[C@H]1COC[C@H]1F 4df83dba2cb3ac5cf20463970b0bfc6d [0,2,0,0,1,0|1,0,0]=4 3885 B10R1.29 O=CNCC1CCCC1O 0c67bd9f77a370384b0bd7ea169003a0 [0,2,0,0,1,0|1,0,0]=4 3886 B10R1.66 C=C(Br)COC1CCCC1 42f364e9c405b1c3cd20d787d52eeaf8 [0,2,0,0,1,0|1,0,0]=4 3887 B10R1.66 C=C(C)COC1CCCC1 0baa029340c07e195631e67a7476458f [0,2,0,0,1,0|1,0,0]=4 3888 B10R1.66 C=C(Cl)COC1CCCC1 4c4fcc9ab448f17967600088248dce4a [0,2,0,0,1,0|1,0,0]=4 3889 B10R1.66 C=C(F)COC1CCCC1 5b359480c47f5b5bd9cd002dde4b0236 [0,2,0,0,1,0|1,0,0]=4 3890 B10R1.66 C=C(I)COC1CCCC1 ea9ca49f291809da3cd71a458dbf4cc6 [0,2,0,0,1,0|1,0,0]=4 3891 B10R1.66 CC(=O)CNC1CCCC1 982a895596cb411344b5d5d1059736c0 [0,2,0,0,1,0|1,0,0]=4 3892 B10R1.66 CC(=O)COC1CCCC1 b4a4ed405f24170df2e680b9b91276af [0,2,0,0,1,0|0,0,0]=3 3893 B10R1.66 CC(=O)NCC1CCCC1 4b033df2d5e9c8dc815e6cf1e844965d [0,2,0,0,1,0|1,0,0]=4 3894 B10R1.66 NC(=O)CNC1CCCC1 9c36273e943c132bbefd74db949ab45f [0,2,0,0,1,0|1,0,0]=4 3895 B10R1.66 NC(=O)COC1CCCC1 d7b7d33efe873067a8b31f32069e40fe [0,2,0,0,1,0|0,0,0]=3 3896 B10R1.66 NC(=O)COC1CCCO1 572c264c8f8acc8112572869238c174e [0,2,0,0,1,0|1,0,0]=4 3897 B10R1.66 NC(=O)COC1CCOC1 d5148e9740dbc69bdb853893f2b3d12a [0,2,0,0,1,0|1,0,0]=4 3898 B10R1.66 NC(=O)COC1CCSC1 cec0eb4f7a499b81222c1a27b0cb34d2 [0,2,0,0,1,0|1,0,0]=4 3899 B10R1.66 NC(=O)CO[C@@H]1CCOC1 49dc32b1f1506522c89aa7ce5c91d3bf [0,2,0,0,1,0|1,0,0]=4 3900 B10R1.66 NC(=O)CO[C@@H]1CCSC1 b9e767100dada703c8b3a7f8badd30b1 [0,2,0,0,1,0|1,0,0]=4 3901 B10R1.66 NC(=O)CO[C@H]1CCOC1 a2f89afc0802b6ee16d361e3a6fe70ac [0,2,0,0,1,0|1,0,0]=4 3902 B10R1.66 NC(=O)CO[C@H]1CCSC1 e1cec98f3b5aad705c54173689397c82 [0,2,0,0,1,0|1,0,0]=4 3903 B10R1.66 NC(=S)COC1CCCC1 54af9f8df6a2f1e34b309e014e24e7d1 [0,2,0,0,1,0|0,1,0]=4 3904 B10R1.66 O=C(O)CNC1CCCC1 fb567dda9f1fcebaac0043a4fd3325ce [0,2,0,0,1,0|1,0,0]=4 3905 B10R1.66 O=C(O)COC1CCCC1 5d3de03f73830ac26dc91c46fa3d4104 [0,2,0,0,1,0|0,0,0]=3 3906 B10R1.66 O=C(O)COC1CCCO1 9af41fcd5b2bf45f089ffbb228468f59 [0,2,0,0,1,0|1,0,0]=4 3907 B10R1.66 O=C(O)COC1CCOC1 c00a0816f6af3a6b09957548ac53c261 [0,2,0,0,1,0|1,0,0]=4 3908 B10R1.66 O=C(O)COC1CCSC1 caf5157f4ef4575a7421435e1146be8d [0,2,0,0,1,0|1,0,0]=4 3909 B10R1.66 O=C(O)CO[C@@H]1CCOC1 40244ec714f8851edd84a85a39a537dc [0,2,0,0,1,0|1,0,0]=4 3910 B10R1.66 O=C(O)CO[C@@H]1CCSC1 3f3ccc7956dc20f5c5ac4f02583eda03 [0,2,0,0,1,0|1,0,0]=4 3911 B10R1.66 O=C(O)CO[C@H]1CCOC1 c198688958ecea1c8118006934dbb8ea [0,2,0,0,1,0|1,0,0]=4 3912 B10R1.66 O=C(O)CO[C@H]1CCSC1 d5d79b4e4ea2912843ea0f8d16269f5b [0,2,0,0,1,0|1,0,0]=4 3913 B10R1.66 O=S(O)COC1CCCC1 08b1908d1b79fff78a0acfd6877e8468 [0,2,0,0,1,0|0,0,1]=4 3914 B10R1.66 O=[N+]([O-])COC1CCCC1 f6363365f6fad184c0e1fff1accfe856 [0,2,0,0,1,0|0,0,1]=4 3915 B10R1.216 CC1(CCCC1)CNC=O bc8516a280de87fc6c65e14c56d78607 [0,2,0,0,1,0|1,0,0]=4 3916 B10R1.216 CC1(CCCC1)NCC=O 1779b4239bc2b64e212cd7bb282df0a9 [0,2,0,0,1,0|1,0,0]=4 3917 B10R1.216 O=CNCC1(CCCC1)F 262c56c72b5ee22f173a2bd93be2fd86 [0,2,0,0,1,0|1,0,0]=4 3918 B10R1.216 O=CNCC1(CCCC1)O 88ee71f3217ae83f30faeb83b09c31f6 [0,2,0,0,1,0|1,0,0]=4 3919 B10R1.64 CC(=O)NC1CCCC1O 59e0220d30c5d89a7bc774bdd7119d12 [0,2,0,0,1,0|1,0,0]=4 3920 B10R1.64 CC(=O)N[C@@H]1CCC[C@@H]1O 8cb67225b4b66d60c05cf19cee1f81da [0,2,0,0,1,0|1,0,0]=4 3921 B10R1.64 CC(=O)N[C@@H]1CCC[C@H]1O b09f4c2f2b9433d14ce51c1d506ae9e8 [0,2,0,0,1,0|1,0,0]=4 3922 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O e6a6e3adb2cb556e3a04e433a4ca013c [0,2,0,0,1,0|1,0,0]=4 3923 B10R1.64 CC(=O)N[C@H]1CCC[C@H]1O d54340e665e803c30264a16ad0e57d91 [0,2,0,0,1,0|1,0,0]=4 3924 B10R1.5 COC1CCCC1NC=O 473a8243af38ebf78c010b97fe6a22f2 [0,2,0,0,1,0|1,0,0]=4 3925 B10R1.5 CO[C@@H]1CCC[C@@H]1NC=O 34afc7b6d3bac81276358f5ee45112e2 [0,2,0,0,1,0|1,0,0]=4 3926 B10R1.5 CO[C@@H]1CCC[C@H]1NC=O 99d6e4c298931554ec358face287384c [0,2,0,0,1,0|1,0,0]=4 3927 B10R1.5 CO[C@H]1CCC[C@@H]1NC=O 9ca0b001515f3efa221790d4310c71ac [0,2,0,0,1,0|1,0,0]=4 3928 B10R1.5 O=CN[C@H]1CCC[C@H]1CO 8a976d7558fe88b7e48ae2a61b0781e7 [0,2,0,0,1,0|1,0,0]=4 3929 B10R1.133 CC1(CCCC1NC=O)C 1ed282ad92ca269fb61b525531e47859 [0,2,0,0,1,0|1,0,0]=4 3930 B10R1.133 CC1(CCCC1NC=O)O b00cfccb7841ba013c67e834df9bfb57 [0,2,0,0,1,0|1,0,0]=4 3931 B10R1.133 C[C@@]1(CCC[C@@H]1NC=O)O 06c885e9b13df3107d6a48266822fa0b [0,2,0,0,1,0|1,0,0]=4 3932 B10R1.133 C[C@]1(CCC[C@H]1NC=O)O 71ade21b23844bec16f0ce3a2aca633a [0,2,0,0,1,0|1,0,0]=4 3933 B10R1.133 O=CNC1CCCC1(F)F 92742d006328061af614da75faebd2a5 [0,2,0,0,1,0|1,0,0]=4 3934 B10R1.529 O=CNC1(CCCC1)CO 087fff5fa3901e31a034a6850d4b1c4b [0,2,0,0,1,0|1,0,0]=4 3935 B12R1.52 O=CNC1CCCCCNC1=O 0204b477f29a55dc360fb7f06e2c1225 [0,1,0,0,0,2|1,0,0]=4 3936 B12R1.52 O=CN[C@H]1CCCCCC[C@@H]1O 86af5698dd3890802551b62c0806d7a7 [0,1,0,0,0,2|1,0,0]=4 3937 B12R1.329 C=CCOC1/C=C/CCCCC1 e1a89ae0b1ba6f786a0cc1ab8b21e91f [0,1,0,0,0,2|1,0,0]=4 3938 B12R1.329 C=CCOC1/C=C\CCCCC1 46e66e5de629fae927f11271e44ac5d3 [0,1,0,0,0,2|1,0,0]=4 3939 B12R1.329 C=CCOC1C=CCCCCC1 2b6387f9bf1cd95cdf2746d2cdeda603 [0,1,0,0,0,2|1,0,0]=4 3940 B12R1.329 C=CCOC1CC/C=C/CCC1 3af04500642758c7161a97c645224107 [0,1,0,0,0,2|1,0,0]=4 3941 B12R1.329 C=CCOC1CC/C=C\CCC1 4e5c12cd7ca89c0c46f869eb29b6e86a [0,1,0,0,0,2|1,0,0]=4 3942 B12R1.329 C=CCOC1CCC=CCCC1 75751ab2a9f8c9930e85388820a1c222 [0,1,0,0,0,2|1,0,0]=4 3943 B12R1.329 C=CCOC1CCCCCCC1 09b9f485111d9c85326965927cd5adba [0,1,0,0,0,2|1,0,0]=4 3944 B12R1.329 C=CCO[C@@H]1CCC=CCCC1 0506c147d2d0831942a74b4378e37aad [0,1,0,0,0,2|1,0,0]=4 3945 B12R1.329 C=CCO[C@H]1/C=C/CCCCC1 5a2ece90e66d142c48ae871af724415b [0,1,0,0,0,2|1,0,0]=4 3946 B12R1.329 C=CCO[C@H]1/C=C\CCCCC1 c4c8c684c33d23de9a779d6a3f8b078e [0,1,0,0,0,2|1,0,0]=4 3947 B12R1.329 O=CCNC1/C=C\CCCCC1 64ca9d94e9826a7021f6dd1796e447c4 [0,1,0,0,0,2|1,0,0]=4 3948 B12R1.329 O=CCNC1CCCCCCC1 92f4cbddf796e44bdb13c6cdb7923a52 [0,1,0,0,0,2|1,0,0]=4 3949 B12R1.329 O=CCOC1/C=C/CCCCC1 b7e6b56a41f09698379818157f9800ed [0,1,0,0,0,2|0,0,0]=3 3950 B12R1.329 O=CCOC1/C=C\CCCCC1 b0c3703c38de8109f0fc003bda2aa091 [0,1,0,0,0,2|0,0,0]=3 3951 B12R1.329 O=CCOC1C=CCCCCC1 6f0eab8a9958c7799ba970f7a94c5938 [0,1,0,0,0,2|0,0,0]=3 3952 B12R1.329 O=CCOC1CC/C=C/CCC1 0c330ecc6d9cb2adbf7446715e3a9b34 [0,1,0,0,0,2|0,0,0]=3 3953 B12R1.329 O=CCOC1CC/C=C\CCC1 c0406f9bdd391e24c6f0cb58104902f2 [0,1,0,0,0,2|0,0,0]=3 3954 B12R1.329 O=CCOC1CCC=CCCC1 f868a88fd56926199fc48ce6598bb37d [0,1,0,0,0,2|0,0,0]=3 3955 B12R1.329 O=CCOC1CCCCCCC1 301af313b3b4ee1539c2597f62b20352 [0,1,0,0,0,2|0,0,0]=3 3956 B12R1.329 O=CCO[C@@H]1CCC=CCCC1 918003b8256ea11ef03dcba71cd8dd53 [0,1,0,0,0,2|0,0,0]=3 3957 B12R1.329 O=CCO[C@H]1/C=C/CCCCC1 e7cbe23b984d0d8e522f06d0f4bee988 [0,1,0,0,0,2|0,0,0]=3 3958 B12R1.329 O=CCO[C@H]1/C=C\CCCCC1 a50b650d6a78a0e6053b3940d3945216 [0,1,0,0,0,2|0,0,0]=3 3959 B12R1.1392 CC(=O)NC1/C=C\CCCCC1 514e90806d1a743f5d7039b67252c8aa [0,1,0,0,0,2|1,0,0]=4 3960 B12R1.1392 CC(=O)NC1CCCCCCC1 706b4665a4d0397396f67ba93d627708 [0,1,0,0,0,2|1,0,0]=4 3961 B12R1.18 C=CCOC1CCCCCC1=O b3cb880d8f9d9adc37f80c4ed40c84b7 [0,2,0,0,0,1|1,0,0]=4 3962 B12R1.18 O=CCN[C@@H]1CCCCC[C@@H]1O 91665fed5b71e5e3ec52b01fb8a96c30 [0,2,0,0,0,1|1,0,0]=4 3963 B12R1.18 O=CCN[C@@H]1CCCCC[C@H]1O 00ac17317825ccebec22ccb93b21ece6 [0,2,0,0,0,1|1,0,0]=4 3964 B12R1.18 O=CCN[C@H]1CCCCC[C@@H]1O b16f75b2538d502c7f3b604a2d898275 [0,2,0,0,0,1|1,0,0]=4 3965 B12R1.18 O=CCOC1CCCCCC1=O 3d54da6f35fa8c64507e26a04e44d0d7 [0,2,0,0,0,1|0,0,0]=3 3966 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@@H]1O d97606515079f22e5f040090aed00859 [0,2,0,0,0,1|1,0,0]=4 3967 B12R1.210 CC(=O)N[C@@H]1CCCCC[C@H]1O b04bc8b7e5ab82f1b5a242064aa1d787 [0,2,0,0,0,1|1,0,0]=4 3968 B12R1.210 CC(=O)N[C@H]1CCCCC[C@@H]1O 141c788f677122fe76033d871b80fe1f [0,2,0,0,0,1|1,0,0]=4 3969 B12R1.321 CN1CCCCC(C1)NCC=O 1cb161dce9041853710961985aec6548 [0,2,0,0,0,1|1,0,0]=4 3970 B12R1.321 CN1CCCC[C@@H](C1)NCC=O 1ff8fc7c669e56fd87e57a75e99c89fa [0,2,0,0,0,1|1,0,0]=4 3971 B12R1.321 CN1CCCC[C@H](C1)NCC=O 3a4b1ea69eabd755bbf4dfe5069648d9 [0,2,0,0,0,1|1,0,0]=4 3972 B12R1.321 CN1CCOCC(C1)OCC=O 875372f138b46a0b5e134f3b505e1daf [0,2,0,0,0,1|1,0,0]=4 3973 B12R1.321 CN1CCOC[C@@H](C1)OCC=O 1f261aac0c4d28c2d7c81bf5f52b1de5 [0,2,0,0,0,1|1,0,0]=4 3974 B12R1.321 CN1CCOC[C@H](C1)OCC=O b4118cdf94e2dffac8e15dc17a5f5605 [0,2,0,0,0,1|1,0,0]=4 3975 B12R1.321 O=CCOC1CCCNC(=O)C1 51c0ae9458f1c37865386da3a1cbcc2e [0,2,0,0,0,1|0,0,1]=4 3976 B12R1.874 CC(=O)NC1CCCCN(C1)C 83665c959b5d592247e2e6b9ae773fbc [0,2,0,0,0,1|1,0,0]=4 3977 B12R1.874 CC(=O)N[C@@H]1CCCCN(C1)C cdf6dcc9fba32fdc712e60d5e1a5e502 [0,2,0,0,0,1|1,0,0]=4 3978 B12R1.874 CC(=O)N[C@H]1CCCCN(C1)C 49ad1f04fb6c23f4ac516d061865b1d5 [0,2,0,0,0,1|1,0,0]=4 3979 B12R1.1444 COC1CCCCC(C1)NC=O 192f327ba65420dd1c5a090264f2fb79 [0,2,0,0,0,1|1,0,0]=4 3980 B12R1.348 C=CCOC1CCCN(CC1)C 736d7d506eafd9cba864109c483b4f61 [0,2,0,0,0,1|1,0,0]=4 3981 B12R1.348 C=CCO[C@@H]1CCCN(CC1)C b6b05a747184ff1452f67f488e02ffc4 [0,2,0,0,0,1|1,0,0]=4 3982 B12R1.348 C=CCO[C@H]1CCCN(CC1)C fbd137276502d7b5d9f94c9255f1adde [0,2,0,0,0,1|1,0,0]=4 3983 B12R1.348 CN1CCCC(CC1)NCC=O 887af7c0967ede0d34ece0bb63cffcf2 [0,2,0,0,0,1|1,0,0]=4 3984 B12R1.348 CN1CCCC(CC1)OCC=O 3a0922e4874fe67290f3078b1ca8ef1c [0,2,0,0,0,1|0,0,0]=3 3985 B12R1.348 CN1CCC[C@@H](CC1)OCC=O f812b9249fd7ad245c5cf6ce783a0d0a [0,2,0,0,0,1|0,0,0]=3 3986 B12R1.348 CN1CCC[C@H](CC1)OCC=O 6ffe493241de6e919ef788a843a7db4c [0,2,0,0,0,1|0,0,0]=3 3987 B12R1.348 O=CCOC1CCCC(=O)NC1 3c91ed0b84b0fa3e54030a1d2cd1c3e6 [0,2,0,0,0,1|0,0,1]=4 3988 B12R1.1020 CC(=O)NC1CCCN(CC1)C 8fded8d977e6acb1f35cb8c0259453b6 [0,2,0,0,0,1|1,0,0]=4 3989 B12R1.1343 C=C(Br)COC1CCCCCC1 ea2c5ee12e227d65ffad070b7c5b529e [0,2,0,0,0,1|1,0,0]=4 3990 B12R1.1343 C=C(Br)COC1CCCOCC1 93d785c912061aa3397c879fb59b561e [0,2,0,0,0,1|1,0,0]=4 3991 B12R1.1343 C=C(C)COC1CCCCCC1 9d6338f86ff00bfafe94f43920542e26 [0,2,0,0,0,1|1,0,0]=4 3992 B12R1.1343 C=C(C)COC1CCCOCC1 5bb17fb8ba1bbdbcd568e03ceb064978 [0,2,0,0,0,1|1,0,0]=4 3993 B12R1.1343 C=C(Cl)COC1CCCCCC1 08a222b97fd67e99e092eb1b6fd9e2cb [0,2,0,0,0,1|1,0,0]=4 3994 B12R1.1343 C=C(Cl)COC1CCCOCC1 606c02608d343d753dc32127be9517a4 [0,2,0,0,0,1|1,0,0]=4 3995 B12R1.1343 C=C(F)COC1CCCCCC1 9060702c19fdc9cb9cbac83becd7d662 [0,2,0,0,0,1|1,0,0]=4 3996 B12R1.1343 C=C(F)COC1CCCOCC1 31ec233e9435af6dea2e7c620336a037 [0,2,0,0,0,1|1,0,0]=4 3997 B12R1.1343 C=C(I)COC1CCCCCC1 8e3afdf3b32dbde187bef870526baaf8 [0,2,0,0,0,1|1,0,0]=4 3998 B12R1.1343 C=C(I)COC1CCCOCC1 5241f85c1917b6d4c97518ced06fe247 [0,2,0,0,0,1|1,0,0]=4 3999 B12R1.1343 CC(=O)CNC1CCCCCC1 472d52fc3a3f9e34562900413429031a [0,2,0,0,0,1|1,0,0]=4 4000 B12R1.1343 CC(=O)CNC1CCCOCC1 261025515065cc7d621da93b6aee8b2f [0,2,0,0,0,1|1,0,0]=4 4001 B12R1.1343 CC(=O)COC1CCCCCC1 c5d3f177a64f6ef4de1601b127407ff7 [0,2,0,0,0,1|0,0,0]=3 4002 B12R1.1343 CC(=O)COC1CCCOCC1 726ddce28f082a8227cd35083ebb9f88 [0,2,0,0,0,1|0,0,0]=3 4003 B12R1.1343 CC(=O)NCC1CCCCCC1 6de497aff6b4d44ba8330446be88d57e [0,2,0,0,0,1|1,0,0]=4 4004 B12R1.1343 CC(=O)OCN1CCCCCC1 b7dacc34ea6d8f4612587dfa1ddfa355 [0,2,0,0,0,1|1,0,0]=4 4005 B12R1.1343 CC(=O)OCN1CCCOCC1 8726e964390efa3e05e1e8c05866038d [0,2,0,0,0,1|1,0,0]=4 4006 B12R1.1343 NC(=O)CNC1CCCCCC1 fe4fd29118c95b23339ad0920f325f8e [0,2,0,0,0,1|1,0,0]=4 4007 B12R1.1343 NC(=O)CNC1CCCOCC1 504550267ff1e1c71a5b768677a6b9e0 [0,2,0,0,0,1|1,0,0]=4 4008 B12R1.1343 NC(=O)COC1CCCCCC1 5c709e941f7fc8de2b169946ceb65020 [0,2,0,0,0,1|0,0,0]=3 4009 B12R1.1343 NC(=O)COC1CCCOCC1 26507495fbfc670eb692146a7f7322cf [0,2,0,0,0,1|0,0,0]=3 4010 B12R1.1343 NC(=O)COC1COCCOC1 6c541c24c2bfe6cab8bee5c65ec4997a [0,2,0,0,0,1|1,0,0]=4 4011 B12R1.1343 NC(=S)COC1CCCCCC1 6f480ae1aa9aacb58901dedf1e2dbc67 [0,2,0,0,0,1|0,1,0]=4 4012 B12R1.1343 NC(=S)COC1CCCOCC1 9fd418620c997325427a734ea7188007 [0,2,0,0,0,1|0,1,0]=4 4013 B12R1.1343 O=C(O)CNC1CCCCCC1 3682f9e28927883757889fb3d93aede3 [0,2,0,0,0,1|1,0,0]=4 4014 B12R1.1343 O=C(O)CNC1CCCOCC1 7301349f329b6a76287864c7ea1263e3 [0,2,0,0,0,1|1,0,0]=4 4015 B12R1.1343 O=C(O)COC1CCCCCC1 7e5cc9ed47a0c03f4fe7fb85c985896c [0,2,0,0,0,1|0,0,0]=3 4016 B12R1.1343 O=C(O)COC1CCCOCC1 36853b68c5534d0cedbf1cd44ea84435 [0,2,0,0,0,1|0,0,0]=3 4017 B12R1.1343 O=C(O)COC1COCCOC1 13f84a22bb6de11a969b9502ba9edaef [0,2,0,0,0,1|1,0,0]=4 4018 B12R1.1343 O=S(O)COC1CCCCCC1 52ffe6b56378a860f6698bebe15c2a2d [0,2,0,0,0,1|0,0,1]=4 4019 B12R1.1343 O=S(O)COC1CCCOCC1 e4175ea21bb19b218a53619deaf6dae3 [0,2,0,0,0,1|0,0,1]=4 4020 B12R1.1343 O=[N+]([O-])COC1CCCCCC1 9556983a393d99fcc7a3c77ac9ae16d3 [0,2,0,0,0,1|0,0,1]=4 4021 B12R1.1343 O=[N+]([O-])COC1CCCOCC1 ee30cff885cdd3447d4a98aa3f90c1d6 [0,2,0,0,0,1|0,0,1]=4 4022 B12R1.1414 C/C=C/COC1CCCCCC1 c5c369be5d9cd096772bee0cdfa699d0 [0,2,0,0,0,1|1,0,0]=4 4023 B12R1.1414 C/C=C/COC1CCCOCC1 cdf513a51df28aa8ef84bf3943f73452 [0,2,0,0,0,1|1,0,0]=4 4024 B12R1.1414 C/C=C\COC1CCCCCC1 33264d4617e946151740a285f7407301 [0,2,0,0,0,1|1,0,0]=4 4025 B12R1.1414 C/C=C\COC1CCCOCC1 93f603db2b7ae769521e37ca0f7c7acd [0,2,0,0,0,1|1,0,0]=4 4026 B12R1.1414 C=CCCOC1CCCCCC1 e8b88a63668f86f1edb6e78495ed2dd5 [0,2,0,0,0,1|1,0,0]=4 4027 B12R1.1414 C=CCCOC1CCCOCC1 ed8b6eae01cdc8143ade03d84e0135a3 [0,2,0,0,0,1|1,0,0]=4 4028 B12R1.1414 C=CCOCC1CCCCCC1 46b27df665404226662b553292724077 [0,2,0,0,0,1|1,0,0]=4 4029 B12R1.1414 CC=CCOC1CCCCCC1 9df0e9f7c4c3531eaeb48337b7e0ea8d [0,2,0,0,0,1|1,0,0]=4 4030 B12R1.1414 CC=CCOC1CCCOCC1 1019a83af2bb722667a5daf30696852f [0,2,0,0,0,1|1,0,0]=4 4031 B12R1.1414 Cl/C=C/COC1CCCCCC1 3238ef754d0fa06b2e24f983ce70de80 [0,2,0,0,0,1|1,0,0]=4 4032 B12R1.1414 Cl/C=C/COC1CCCOCC1 fc3fcb4c357c49a335931010cd505c5e [0,2,0,0,0,1|1,0,0]=4 4033 B12R1.1414 Cl/C=C\COC1CCCCCC1 2494aa97424bb77e1da76bee85b8d865 [0,2,0,0,0,1|1,0,0]=4 4034 B12R1.1414 Cl/C=C\COC1CCCOCC1 bfd4bbd52c247d73a357fb1ab55a22ec [0,2,0,0,0,1|1,0,0]=4 4035 B12R1.1414 ClC=CCOC1CCCCCC1 bb7421ca42b22884d946a14783d5a4db [0,2,0,0,0,1|1,0,0]=4 4036 B12R1.1414 ClC=CCOC1CCCOCC1 ad8ccb89da4aa40c40b09e8bf1a8d999 [0,2,0,0,0,1|1,0,0]=4 4037 B12R1.1414 O=CCCNC1CCCCCC1 417bf96b89d2bee8d5f6d1b029371b10 [0,2,0,0,0,1|1,0,0]=4 4038 B12R1.1414 O=CCCNC1CCCOCC1 64e9c49c0b3027e8543f039ec1ae570e [0,2,0,0,0,1|1,0,0]=4 4039 B12R1.1414 O=CCCOC1CCCCCC1 2a01c16d7499b3798412c1d322710fb5 [0,2,0,0,0,1|0,0,0]=3 4040 B12R1.1414 O=CCCOC1CCCOCC1 f8d9c680a5148551216ac6ee74c4ab33 [0,2,0,0,0,1|0,0,0]=3 4041 B12R1.1414 O=CCCOC1COCCOC1 a22643a079e584f6a8408895686fcefb [0,2,0,0,0,1|1,0,0]=4 4042 B12R1.1414 O=CCNCC1CCCCCC1 cd59fc43d7cc22854ae716c8b72b3b3b [0,2,0,0,0,1|1,0,0]=4 4043 B12R1.1414 O=CCOCC1CCCCCC1 6249831a1175a719b161992f57c213b0 [0,2,0,0,0,1|0,0,0]=3 4044 B12R1.1414 O=CCOCC1COCCOC1 7536a39bb0984e89f8576ef4d0d75a0d [0,2,0,0,0,1|1,0,0]=4 4045 B12R1.1414 O=CNCCC1CCCCCC1 0f5335d440c24b68efa1c4230dfc1d18 [0,2,0,0,0,1|1,0,0]=4 4046 B12R1.1564 CN(CC=O)C1CCCCCC1 54716684cd8ede37ca91ba1448c67cd0 [0,2,0,0,0,1|1,0,0]=4 4047 B12R1.1748 C#CC(=O)NC1CCCCCC1 4dd96eff93a5bd0bf017f95f348adab1 [0,2,0,0,0,1|1,0,0]=4 4048 B12R1.1748 C#CC(=O)NC1CCCOCC1 ba6027bfdd9b5fdfe500d52df4a438d8 [0,2,0,0,0,1|1,0,0]=4 4049 B12R1.1748 C=C(C=O)OC1CCCCCC1 b46be8444c41b10b576213e8a425a077 [0,2,0,0,0,1|0,0,0]=3 4050 B12R1.1748 C=C(C=O)OC1CCCOCC1 8698a24e25f6f0b45ab61f6ad6e180d9 [0,2,0,0,0,1|0,0,0]=3 4051 B12R1.1748 C=CC(=O)NC1CCCCCC1 1cb618d9f7be1283b70b088fdc7748a9 [0,2,0,0,0,1|1,0,0]=4 4052 B12R1.1748 C=CC(=O)NC1CCCOCC1 fc612f60393d21c786330d7d4abcec4e [0,2,0,0,0,1|1,0,0]=4 4053 B12R1.1748 C=CC(C)OC1CCCCCC1 e2d4bd6d91344213736f685bffda52ac [0,2,0,0,0,1|1,0,0]=4 4054 B12R1.1748 C=CC(C)OC1CCCOCC1 039171ee9d229395e01cc7194e01f833 [0,2,0,0,0,1|1,0,0]=4 4055 B12R1.1748 C=C[C@H](C)OC1CCCCCC1 e8538bd5059322b5827a9582f32d286d [0,2,0,0,0,1|1,0,0]=4 4056 B12R1.1748 C=C[C@H](C)OC1CCCOCC1 1f4927d798341594123bc27d50604b66 [0,2,0,0,0,1|1,0,0]=4 4057 B12R1.1748 CC(C=O)NC1CCCCCC1 60a8794ee567ddb81684d1d619229e88 [0,2,0,0,0,1|1,0,0]=4 4058 B12R1.1748 CC(C=O)NC1CCCOCC1 97f740fe4696913755b85e771af6add8 [0,2,0,0,0,1|1,0,0]=4 4059 B12R1.1748 CC(C=O)OC1CCCCCC1 46a3e5d8ca15338b5ef724ae7cd4f94e [0,2,0,0,0,1|0,0,0]=3 4060 B12R1.1748 CC(C=O)OC1CCCOCC1 56d47f34060d598bb5d386386a90a995 [0,2,0,0,0,1|0,0,0]=3 4061 B12R1.1748 CC(C=O)OC1COCCOC1 69cdde560722d502f9cf29d1169bec0e [0,2,0,0,0,1|1,0,0]=4 4062 B12R1.1748 CCC(=O)NC1CCCCCC1 1049289f282d61390cb51b1942468670 [0,2,0,0,0,1|1,0,0]=4 4063 B12R1.1748 CCC(=O)NC1CCCOCC1 6d67c51c795c0626b9df6af905c3254a [0,2,0,0,0,1|1,0,0]=4 4064 B12R1.1748 CN(C=O)CC1CCCCCC1 6fa80bf8236d109d4db5a67dc92b348b [0,2,0,0,0,1|1,0,0]=4 4065 B12R1.1748 C[C@H](C=O)NC1CCCCCC1 bea275702da0a6eef573e9d7edbbafdd [0,2,0,0,0,1|1,0,0]=4 4066 B12R1.1748 C[C@H](C=O)NC1CCCOCC1 5f54f01e16971cc076a01edb341847a2 [0,2,0,0,0,1|1,0,0]=4 4067 B12R1.1748 C[C@H](C=O)OC1CCCCCC1 0af2dc6d56efc1ff5c59cc31c3714af2 [0,2,0,0,0,1|0,0,0]=3 4068 B12R1.1748 C[C@H](C=O)OC1CCCOCC1 edbd88d19d52dd0737c0c0683f971d40 [0,2,0,0,0,1|0,0,0]=3 4069 B12R1.1748 C[C@H](C=O)OC1COCCOC1 a188b5895ac5b11b4864545d50d58ce2 [0,2,0,0,0,1|1,0,0]=4 4070 B12R1.1748 O=C(CF)NC1CCCCCC1 c910539a8e76540752c0fafffef7c4cb [0,2,0,0,0,1|1,0,0]=4 4071 B12R1.1748 O=C(CF)NC1CCCOCC1 32a473036edef8ba90d9a8580d990229 [0,2,0,0,0,1|1,0,0]=4 4072 B12R1.1748 O=C(CO)NC1CCCCCC1 8bce51867f3dc4bcf7db68e779263555 [0,2,0,0,0,1|1,0,0]=4 4073 B12R1.1748 O=C(CO)NC1CCCOCC1 7c07da52e82b44fba5a22a8a160c7510 [0,2,0,0,0,1|1,0,0]=4 4074 B12R1.1748 O=C(CS)NC1CCCCCC1 325741ee2985474fcbfa9c8f1c1aff15 [0,2,0,0,0,1|1,0,0]=4 4075 B12R1.1748 O=CC(=O)NC1CCCCCC1 75f0418b8a1204176cbcd8d59ed74620 [0,2,0,0,0,1|1,0,0]=4 4076 B12R1.1748 O=CC(=O)NC1CCCOCC1 a5bc8b4282566cc4a6170c47b0ca3991 [0,2,0,0,0,1|1,0,0]=4 4077 B12R1.1785 CC1(CCCCCC1)NCC=O a51ddb1d479fb5ee535e1e96ab07c6b2 [0,2,0,0,0,1|1,0,0]=4 4078 B12R1.1785 O=CNCC1(CCCCCC1)O d472fd59b157dcad7791d8ea0f696fdd [0,2,0,0,0,1|1,0,0]=4 4079 B12R1.2197 CC(=O)N(C)C1CCCCCC1 84d5660a75c6f0edc3b98c6f0bbe19a0 [0,2,0,0,0,1|1,0,0]=4 4080 B12R1.3236 O=CNC1(CCCCCC1)CO c18d0478f9f8e404ed644a5167c4d3fc [0,2,0,0,0,1|1,0,0]=4 4081 B12R1.1287 CCN(C=O)C1CCCCCC1 f803096f837ad72ee2020eb4e55a8fd2 [0,2,0,0,0,1|1,0,0]=4 4082 B12R1.1 C/C=C/COC1CCC(CC1)C 812376d6bc953b2ea51889495ea2cfc1 [0,3,0,0,0,0|1,0,0]=4 4083 B12R1.1 C/C=C/COC1CCC(CC1)F 016d4acc8f6016503c78b1c1cefc687a [0,3,0,0,0,0|1,0,0]=4 4084 B12R1.1 C/C=C/CO[C@H]1CC[C@@H](CC1)C 2fdd178ec1693bddd750583fc9adc100 [0,3,0,0,0,0|1,0,0]=4 4085 B12R1.1 C/C=C/CO[C@H]1CC[C@H](CC1)C ca57a9d6cf1d7aca913d373bb96a974f [0,3,0,0,0,0|1,0,0]=4 4086 B12R1.1 C/C=C\COC1CCC(CC1)C 9aeb8189c00e0371e90c802cc65d2252 [0,3,0,0,0,0|1,0,0]=4 4087 B12R1.1 C/C=C\COC1CCC(CC1)F 62e22e55ce21c83f511a87ccf92d867e [0,3,0,0,0,0|1,0,0]=4 4088 B12R1.1 C/C=C\CO[C@H]1CC[C@@H](CC1)C 4834698149820c902a1bbbeb9bbf8a76 [0,3,0,0,0,0|1,0,0]=4 4089 B12R1.1 C/C=C\CO[C@H]1CC[C@H](CC1)C 47cce68701fdf97f677be3664c080f4b [0,3,0,0,0,0|1,0,0]=4 4090 B12R1.1 C=C1CCC(CC1)COCC=O ad4a9e71c51903705ea327a4e6239471 [0,3,0,0,0,0|0,0,1]=4 4091 B12R1.1 C=CCCOC1CCC(CC1)C 07dcbad102d2ea965b8a96189bc6086a [0,3,0,0,0,0|1,0,0]=4 4092 B12R1.1 C=CCCOC1CCC(CC1)F 60fbab8ef9ad93e433c01ab87108c2ed [0,3,0,0,0,0|1,0,0]=4 4093 B12R1.1 C=CCCO[C@H]1CC[C@@H](CC1)C 4e48ff4377ed4bf10392fb4cdea4d7ce [0,3,0,0,0,0|1,0,0]=4 4094 B12R1.1 C=CCCO[C@H]1CC[C@H](CC1)C 9506886f70a49c503d001efcfb593534 [0,3,0,0,0,0|1,0,0]=4 4095 B12R1.1 C=CCOCC1CCC(CC1)C d90527c609ffe37e9d54bd133c53979c [0,3,0,0,0,0|1,0,0]=4 4096 B12R1.1 C=CCOC[C@H]1CC[C@@H](CC1)C 3e784dab3cf753ae8573ec1d0e8fd885 [0,3,0,0,0,0|1,0,0]=4 4097 B12R1.1 C=CCOC[C@H]1CC[C@H](CC1)C ddd0595d89f3cf532b6067a1ca10b905 [0,3,0,0,0,0|1,0,0]=4 4098 B12R1.1 CC1CCC(CC1)CNCC=O 38b6cee1a5a2eb3f551d16433edbb9d0 [0,3,0,0,0,0|1,0,0]=4 4099 B12R1.1 CC1CCC(CC1)COCC=O 45451e5e33b253d38cf9676d3df9562f [0,3,0,0,0,0|0,0,0]=3 4100 B12R1.1 CC1CCC(CC1)NCCC=O c542992c029ba41f7cd17bcc1d4bf2c6 [0,3,0,0,0,0|1,0,0]=4 4101 B12R1.1 CC1CCC(CC1)OC/C=C/Cl 113e29ea2774194c3f52901d606f21a4 [0,3,0,0,0,0|1,0,0]=4 4102 B12R1.1 CC1CCC(CC1)OC/C=C\Cl 9adc79a37294b73649d114e4043f00ad [0,3,0,0,0,0|1,0,0]=4 4103 B12R1.1 CC1CCC(CC1)OCC=CCl 0e3687512ea7c21d5c0db43cf1c4163a [0,3,0,0,0,0|1,0,0]=4 4104 B12R1.1 CC1CCC(CC1)OCCC=O b4ddba34ad3e37dca5fc492c701bb39a [0,3,0,0,0,0|0,0,0]=3 4105 B12R1.1 CC=CCOC1CCC(CC1)C 3d18034418ee6fee07c0c3c01438e22d [0,3,0,0,0,0|1,0,0]=4 4106 B12R1.1 CN1CCC(CC1)COCC=O 74699f2963afb34eec61f7b3a0500e02 [0,3,0,0,0,0|1,0,0]=4 4107 B12R1.1 CN1CCC(CC1)OCCC=O c9bc9cf8299b18f32aead3e8b743b12b [0,3,0,0,0,0|1,0,0]=4 4108 B12R1.1 C[C@H]1CC[C@@H](CC1)COCC=O c719d5f095760df0f61771e8499099d9 [0,3,0,0,0,0|0,0,0]=3 4109 B12R1.1 C[C@H]1CC[C@@H](CC1)NCCC=O d76855638b758be9e914ed5a7968f14f [0,3,0,0,0,0|1,0,0]=4 4110 B12R1.1 C[C@H]1CC[C@@H](CC1)OC/C=C/Cl b8296353e8f6cd9b54066b95d0bdd6da [0,3,0,0,0,0|1,0,0]=4 4111 B12R1.1 C[C@H]1CC[C@@H](CC1)OC/C=C\Cl 319058b5a8373ceec24ae4a734337c0c [0,3,0,0,0,0|1,0,0]=4 4112 B12R1.1 C[C@H]1CC[C@@H](CC1)OCCC=O 2911a079efb28c22302210875f40cb4f [0,3,0,0,0,0|0,0,0]=3 4113 B12R1.1 C[C@H]1CC[C@H](CC1)COCC=O 4d9393fe3ec2988e53bf9cad806e5f80 [0,3,0,0,0,0|0,0,0]=3 4114 B12R1.1 C[C@H]1CC[C@H](CC1)NCCC=O e7d2f7f6c5cee497f8a29adfd1b053d2 [0,3,0,0,0,0|1,0,0]=4 4115 B12R1.1 C[C@H]1CC[C@H](CC1)OC/C=C/Cl 0d554ec174b41c4fff67fc08b4828d0c [0,3,0,0,0,0|1,0,0]=4 4116 B12R1.1 C[C@H]1CC[C@H](CC1)OC/C=C\Cl 6eaeb077df79ddd47d934cae90a316c2 [0,3,0,0,0,0|1,0,0]=4 4117 B12R1.1 C[C@H]1CC[C@H](CC1)OCCC=O 4c4027b66f579cfe417605987b013b01 [0,3,0,0,0,0|0,0,0]=3 4118 B12R1.1 FC1CCC(CC1)OC/C=C/Cl b8a35e974e812190772e23788315a880 [0,3,0,0,0,0|1,0,0]=4 4119 B12R1.1 FC1CCC(CC1)OC/C=C\Cl 1759300826036a1948bc620402b36960 [0,3,0,0,0,0|1,0,0]=4 4120 B12R1.1 O=CCCNC1CCC(CC1)Cl 36c7d52db5f2fdd75b44ddf5f3e90c28 [0,3,0,0,0,0|1,0,0]=4 4121 B12R1.1 O=CCCNC1CCC(CC1)O b725aa6b19027470eb5aa4c92e2c54e7 [0,3,0,0,0,0|1,0,0]=4 4122 B12R1.1 O=CCCN[C@H]1CC[C@@H](CC1)Cl 96e764a2e5ac88436b7dc13a35e4e979 [0,3,0,0,0,0|1,0,0]=4 4123 B12R1.1 O=CCCN[C@H]1CC[C@@H](CC1)O c1d18aec3b076954aa9edc0367d7c1c3 [0,3,0,0,0,0|1,0,0]=4 4124 B12R1.1 O=CCCN[C@H]1CC[C@H](CC1)Cl 28ed955b02ef5e25292206cd2da9d7a6 [0,3,0,0,0,0|1,0,0]=4 4125 B12R1.1 O=CCCN[C@H]1CC[C@H](CC1)O fe52f4b058266755a4bfaf028ae1285a [0,3,0,0,0,0|1,0,0]=4 4126 B12R1.1 O=CCCOC1CCC(=O)CC1 0a44203b0dc368bcbb573f33d5af4e69 [0,3,0,0,0,0|0,0,1]=4 4127 B12R1.1 O=CCCOC1CCC(CC1)F 16f87f11d19ab05bb522bdc66a98a376 [0,3,0,0,0,0|0,0,0]=3 4128 B12R1.1 O=CCNCC1CCC(CC1)Cl 1bfae9b0957ff18d9e3f156febbddae1 [0,3,0,0,0,0|1,0,0]=4 4129 B12R1.1 O=CCNCC1CCC(CC1)O bc023cf7d027550538adcf2e3e985744 [0,3,0,0,0,0|1,0,0]=4 4130 B12R1.1 O=CCNC[C@H]1CC[C@@H](CC1)F 102012ada41ab647c925e499af3673aa [0,3,0,0,0,0|1,0,0]=4 4131 B12R1.1 O=CCNC[C@H]1CC[C@@H](CC1)O e8ea856238af4b09239f881357a61e52 [0,3,0,0,0,0|1,0,0]=4 4132 B12R1.1 O=CCNC[C@H]1CC[C@H](CC1)F 687099918008de3d56c7d18d65a21612 [0,3,0,0,0,0|1,0,0]=4 4133 B12R1.1 O=CCOCC1CCC(=O)CC1 cb4fcf040b6a8c187ac3a5a4d2d2c297 [0,3,0,0,0,0|0,0,1]=4 4134 B12R1.1 O=CNCCC1CCC(CC1)O f284208a5e26288a378aa5762ad3aa2c [0,3,0,0,0,0|1,0,0]=4 4135 B12R1.16 CC1CCC(CC1)N(C)CC=O d4a1982cc48c9b625fbddad1e664034e [0,3,0,0,0,0|1,0,0]=4 4136 B12R1.16 CN(CC=O)C1CCC(CC1)O 02ec3dca92455632eb81aa37828ecf8d [0,3,0,0,0,0|1,0,0]=4 4137 B12R1.16 CN(CC=O)[C@H]1CC[C@@H](CC1)C de65fb53fc8a5903bba8cc686a542c78 [0,3,0,0,0,0|1,0,0]=4 4138 B12R1.16 CN(CC=O)[C@H]1CC[C@@H](CC1)O 4638de72a57c90cc999fd583016e1534 [0,3,0,0,0,0|1,0,0]=4 4139 B12R1.16 CN(CC=O)[C@H]1CC[C@H](CC1)O f8fe413fb5d917062dacdb9e259612ff [0,3,0,0,0,0|1,0,0]=4 4140 B12R1.21 C=C(Br)COC1CCC(CC1)C 3061ecc4f41c55130bbbee9ce4d23670 [0,3,0,0,0,0|1,0,0]=4 4141 B12R1.21 C=C(Br)COC1CCC(CC1)F b170aca5e40cd539481a2b8c69bd5c34 [0,3,0,0,0,0|1,0,0]=4 4142 B12R1.21 C=C(Br)CO[C@H]1CC[C@@H](CC1)C 6f4e36e3e18f5b4ab2683b0ade68c8fa [0,3,0,0,0,0|1,0,0]=4 4143 B12R1.21 C=C(Br)CO[C@H]1CC[C@H](CC1)C 8a0218b04fc40c7ea22b9b5bd126332c [0,3,0,0,0,0|1,0,0]=4 4144 B12R1.21 C=C(C)COC1CCC(CC1)C f1dc36c690e52b9945d0a8fd4d645f85 [0,3,0,0,0,0|1,0,0]=4 4145 B12R1.21 C=C(C)COC1CCC(CC1)F c500b38eacd10529137493023c2506fe [0,3,0,0,0,0|1,0,0]=4 4146 B12R1.21 C=C(C)CO[C@H]1CC[C@@H](CC1)C a2bcb2fef00ec32aaa44bbc8b61597a3 [0,3,0,0,0,0|1,0,0]=4 4147 B12R1.21 C=C(C)CO[C@H]1CC[C@H](CC1)C a382b55002145f1153c6dffb77ef05fb [0,3,0,0,0,0|1,0,0]=4 4148 B12R1.21 C=C(Cl)COC1CCC(CC1)C 4c3ca9eaa112d50f2c80e0cc049672c0 [0,3,0,0,0,0|1,0,0]=4 4149 B12R1.21 C=C(Cl)COC1CCC(CC1)F 661642373dc6970d0b31e9afdda74338 [0,3,0,0,0,0|1,0,0]=4 4150 B12R1.21 C=C(Cl)CO[C@H]1CC[C@@H](CC1)C f08ec6e4c5e433d3de70bf03557b9d5a [0,3,0,0,0,0|1,0,0]=4 4151 B12R1.21 C=C(Cl)CO[C@H]1CC[C@H](CC1)C 1c3c2d4f4dda1920289ff5f6ad0382b1 [0,3,0,0,0,0|1,0,0]=4 4152 B12R1.21 C=C(F)COC1CCC(CC1)C 1bad943f0d7ad9e82ba083274f38a818 [0,3,0,0,0,0|1,0,0]=4 4153 B12R1.21 C=C(F)COC1CCC(CC1)F 0e238060723a7cf1d55428902d8cce8d [0,3,0,0,0,0|1,0,0]=4 4154 B12R1.21 C=C(F)CO[C@H]1CC[C@@H](CC1)C 2fe4dd6644ddc42b9de7a4c688a827e7 [0,3,0,0,0,0|1,0,0]=4 4155 B12R1.21 C=C(F)CO[C@H]1CC[C@H](CC1)C 8ebd9477dbbc68f41bbf5df7284085c5 [0,3,0,0,0,0|1,0,0]=4 4156 B12R1.21 C=C(I)COC1CCC(CC1)C 3a8539a8c574101562b8f6a0a92d9fbc [0,3,0,0,0,0|1,0,0]=4 4157 B12R1.21 CC(=O)CNC1CCC(CC1)C a9a5b3a4cfec3700356130fc2afa5c6e [0,3,0,0,0,0|1,0,0]=4 4158 B12R1.21 CC(=O)CNC1CCC(CC1)O e5f01c0d3eecb2ed849fe8c5e4f0610d [0,3,0,0,0,0|1,0,0]=4 4159 B12R1.21 CC(=O)COC1CCC(=O)CC1 e53620fde4eface816902b727ec27c40 [0,3,0,0,0,0|0,0,1]=4 4160 B12R1.21 CC(=O)COC1CCC(CC1)C ef4b08d479cebc0f83f83d99fc057e94 [0,3,0,0,0,0|0,0,0]=3 4161 B12R1.21 CC(=O)COC1CCN(CC1)C 67490f58c4d0eff55009dd876f10502d [0,3,0,0,0,0|1,0,0]=4 4162 B12R1.21 CC(=O)NCC1CCC(CC1)C c9c1d1253c16c317e8aa95f3dac7070d [0,3,0,0,0,0|1,0,0]=4 4163 B12R1.21 CC(=O)NCC1CCC(CC1)Cl 8dc84f924baf40bbe8987d2bda07d77c [0,3,0,0,0,0|1,0,0]=4 4164 B12R1.21 CC(=O)NCC1CCC(CC1)O 6719d93799b1ad24ab3c97ee131f6219 [0,3,0,0,0,0|1,0,0]=4 4165 B12R1.21 CC(=O)NC[C@H]1CC[C@@H](CC1)F ccb1817a49bfaa35a7efab56ef647a62 [0,3,0,0,0,0|1,0,0]=4 4166 B12R1.21 CC(=O)NC[C@H]1CC[C@@H](CC1)O d4fbd8e3809fad407544fbd7734d8732 [0,3,0,0,0,0|1,0,0]=4 4167 B12R1.21 CC(=O)NC[C@H]1CC[C@H](CC1)F ad8b252d14224ed05640ee1a9140be2e [0,3,0,0,0,0|1,0,0]=4 4168 B12R1.21 CC(=O)OCN1CCC(CC1)C 5dd6618e4a3f47ff44e0499281f21b5d [0,3,0,0,0,0|1,0,0]=4 4169 B12R1.21 CC(=O)OCN1CCC(CC1)Cl f0d73a0b2bd1cbd9f1f94c57870e67cd [0,3,0,0,0,0|1,0,0]=4 4170 B12R1.21 CC(=O)OCN1CCC(CC1)F 53e0090a3d99f951b951df7b5def497d [0,3,0,0,0,0|1,0,0]=4 4171 B12R1.21 CC(=O)OCN1CCC(CC1)I 34496c84e503279d1ba1a61506b28a93 [0,3,0,0,0,0|1,0,0]=4 4172 B12R1.21 CC(=O)OCN1CCC(CC1)O 93e7f08724afe80b82635aa8820796b5 [0,3,0,0,0,0|1,0,0]=4 4173 B12R1.21 CC1CCC(CC1)NCC(=O)N 4198f7304f460f35021ae991ec504b41 [0,3,0,0,0,0|1,0,0]=4 4174 B12R1.21 CC1CCC(CC1)NCC(=O)O fd25024e0c0e0624552842e32eba2d51 [0,3,0,0,0,0|1,0,0]=4 4175 B12R1.21 CC1CCC(CC1)OCC(=O)N 22833b0feb0ecdb10fb97872431cfb56 [0,3,0,0,0,0|0,0,0]=3 4176 B12R1.21 CC1CCC(CC1)OCC(=O)O ad1e4271e09c835a48f039e217e92ade [0,3,0,0,0,0|0,0,0]=3 4177 B12R1.21 CC1CCC(CC1)OCC(=S)N 0cf6d8394e5f67c95389e17a63c72425 [0,3,0,0,0,0|0,1,0]=4 4178 B12R1.21 CC1CCC(CC1)OCS(=O)O 210a20472cdfa61d7345740aa40fc0d7 [0,3,0,0,0,0|0,0,1]=4 4179 B12R1.21 CC1CCC(CC1)OC[N+](=O)[O-] ff9d27994d13226eb1db46b24d1ee44d [0,3,0,0,0,0|0,0,1]=4 4180 B12R1.21 CN1CCC(CC1)OCC(=O)N 7cc82d227106035cd153f988b0c17924 [0,3,0,0,0,0|1,0,0]=4 4181 B12R1.21 CN1CCC(CC1)OCC(=O)O 56dae87539f35f60b8bdbd21a781a2b5 [0,3,0,0,0,0|1,0,0]=4 4182 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 4bf2c88f42cd58c94d5c2409ca997132 [0,3,0,0,0,0|1,0,0]=4 4183 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)O 24d93b5b58838fa464a633ab7d555e6b [0,3,0,0,0,0|1,0,0]=4 4184 B12R1.21 C[C@H]1CC[C@@H](CC1)OCC(=O)N b0f00314f9ce9821828c5a13371f8407 [0,3,0,0,0,0|0,0,0]=3 4185 B12R1.21 C[C@H]1CC[C@@H](CC1)OCC(=O)O 782caa40075a2f8dfdbaa87388e9278a [0,3,0,0,0,0|0,0,0]=3 4186 B12R1.21 C[C@H]1CC[C@@H](CC1)OC[N+](=O)[O-] 3155ff123e571c7aa948dd288470f7cc [0,3,0,0,0,0|0,0,1]=4 4187 B12R1.21 C[C@H]1CC[C@H](CC1)NCC(=O)N 16057a4a06d8eee1be5a0cc3a0dadb4b [0,3,0,0,0,0|1,0,0]=4 4188 B12R1.21 C[C@H]1CC[C@H](CC1)NCC(=O)O e2803597100b4e412a31e2282685e222 [0,3,0,0,0,0|1,0,0]=4 4189 B12R1.21 C[C@H]1CC[C@H](CC1)OCC(=O)N 683d4c141e1c7a7bb8df44c4d69bf367 [0,3,0,0,0,0|0,0,0]=3 4190 B12R1.21 C[C@H]1CC[C@H](CC1)OCC(=O)O 6f6c985c4df34918c687009c9ce6b582 [0,3,0,0,0,0|0,0,0]=3 4191 B12R1.21 C[C@H]1CC[C@H](CC1)OC[N+](=O)[O-] b0b20c6256e221b240f6b53a77cad833 [0,3,0,0,0,0|0,0,1]=4 4192 B12R1.21 NC(=O)CNC1CCC(CC1)Cl 58404f106c1860b9a72c08c7bb5aa216 [0,3,0,0,0,0|1,0,0]=4 4193 B12R1.21 NC(=O)CNC1CCC(CC1)O daf37e981b5e4b2dd9c636a15d19a1dc [0,3,0,0,0,0|1,0,0]=4 4194 B12R1.21 NC(=O)CN[C@H]1CC[C@@H](CC1)Cl 89cc5debfae9ed12679ef7a991af84be [0,3,0,0,0,0|1,0,0]=4 4195 B12R1.21 NC(=O)CN[C@H]1CC[C@@H](CC1)O 535ae338f978f1ba70744e0a736a2e71 [0,3,0,0,0,0|1,0,0]=4 4196 B12R1.21 NC(=O)CN[C@H]1CC[C@H](CC1)Cl 275868afcdc3e9ab87700eb4093e3e0b [0,3,0,0,0,0|1,0,0]=4 4197 B12R1.21 NC(=O)CN[C@H]1CC[C@H](CC1)O ce31c85deddb311b5758df271d189eff [0,3,0,0,0,0|1,0,0]=4 4198 B12R1.21 NC(=O)COC1CCC(=O)CC1 d32f4135da8d2b18a609411169215a3e [0,3,0,0,0,0|0,0,1]=4 4199 B12R1.21 NC(=O)COC1CCC(CC1)F c8ab288359b5b17b120071e3520f70bf [0,3,0,0,0,0|0,0,0]=3 4200 B12R1.21 O=C(O)CNC1CCC(CC1)Cl ea69ffe7f4865a27dfe7851e27009c21 [0,3,0,0,0,0|1,0,0]=4 4201 B12R1.21 O=C(O)CNC1CCC(CC1)O e8c544aa1b4c6a4cf42683451a8e054d [0,3,0,0,0,0|1,0,0]=4 4202 B12R1.21 O=C(O)CN[C@H]1CC[C@@H](CC1)Cl 3889a530376115ad920bca1f0e590393 [0,3,0,0,0,0|1,0,0]=4 4203 B12R1.21 O=C(O)CN[C@H]1CC[C@@H](CC1)O 47f10d76bc38824f6e68e237d08bf2d1 [0,3,0,0,0,0|1,0,0]=4 4204 B12R1.21 O=C(O)CN[C@H]1CC[C@H](CC1)Cl 3a811c8c2b768c0353b89b9eeadd4770 [0,3,0,0,0,0|1,0,0]=4 4205 B12R1.21 O=C(O)CN[C@H]1CC[C@H](CC1)O 9e1b92a1bf9f48efe9e1885883f32629 [0,3,0,0,0,0|1,0,0]=4 4206 B12R1.21 O=C(O)COC1CCC(=O)CC1 2b41ac92ae2025708e365fe356074f0d [0,3,0,0,0,0|0,0,1]=4 4207 B12R1.21 O=C(O)COC1CCC(CC1)F db559f11e9c27a0b7886aa9a4c3fa50a [0,3,0,0,0,0|0,0,0]=3 4208 B12R1.21 O=[N+]([O-])COC1CCC(CC1)F 4a4d44dff6963d916ede86b36f223d41 [0,3,0,0,0,0|0,0,1]=4 4209 B12R1.49 C#CC(=O)NC1CCC(CC1)C acd76bc922dbdc1b9c766ec1dd997aa1 [0,3,0,0,0,0|1,0,0]=4 4210 B12R1.49 C#CC(=O)NC1CCC(CC1)Cl eb0554773cbc42129761a9a8c4ba9c92 [0,3,0,0,0,0|1,0,0]=4 4211 B12R1.49 C#CC(=O)NC1CCC(CC1)O b5924d084b50f4e8cc84513d6e64e2e1 [0,3,0,0,0,0|1,0,0]=4 4212 B12R1.49 C#CC(=O)N[C@H]1CC[C@@H](CC1)C 7b12c3c234b05e06a68d07d94271898d [0,3,0,0,0,0|1,0,0]=4 4213 B12R1.49 C#CC(=O)N[C@H]1CC[C@@H](CC1)Cl f425c7b1afcf8f3e15eb5a9093373bf3 [0,3,0,0,0,0|1,0,0]=4 4214 B12R1.49 C#CC(=O)N[C@H]1CC[C@@H](CC1)O 0648d8f3196fc66afc7900edce57100b [0,3,0,0,0,0|1,0,0]=4 4215 B12R1.49 C#CC(=O)N[C@H]1CC[C@H](CC1)C df3f57d68305251dfddbe80518fd36a0 [0,3,0,0,0,0|1,0,0]=4 4216 B12R1.49 C#CC(=O)N[C@H]1CC[C@H](CC1)Cl 4d02064025f113972d23a26dcc24d191 [0,3,0,0,0,0|1,0,0]=4 4217 B12R1.49 C#CC(=O)N[C@H]1CC[C@H](CC1)O 95d850ae5683b56bb1a7d70ea4da0a3c [0,3,0,0,0,0|1,0,0]=4 4218 B12R1.49 C=C(C=O)OC1CCC(=O)CC1 b1eac23dbe4828d4b4e5c02d9f93770e [0,3,0,0,0,0|0,0,1]=4 4219 B12R1.49 C=C(C=O)OC1CCC(CC1)C 5dcc72d78094f32ccd9995895cfb0178 [0,3,0,0,0,0|0,0,0]=3 4220 B12R1.49 C=C(C=O)OC1CCN(CC1)C 60cdeae263245ad8b6cd8f5c72eff7ae [0,3,0,0,0,0|1,0,0]=4 4221 B12R1.49 C=CC(=O)NC1CCC(CC1)C 173bd54c32cf4130fdee1b1dbce4d539 [0,3,0,0,0,0|1,0,0]=4 4222 B12R1.49 C=CC(=O)NC1CCC(CC1)Cl 9046e833ce06e0def0bf7354c06e6f21 [0,3,0,0,0,0|1,0,0]=4 4223 B12R1.49 C=CC(=O)NC1CCC(CC1)O 1caa3d6c632cde6264c63d7c18cc13aa [0,3,0,0,0,0|1,0,0]=4 4224 B12R1.49 C=CC(=O)N[C@H]1CC[C@@H](CC1)C 39f9768abe08a1a827295672b45e9721 [0,3,0,0,0,0|1,0,0]=4 4225 B12R1.49 C=CC(=O)N[C@H]1CC[C@@H](CC1)Cl 01eab8ce3ae09df7262e03e02b818ce6 [0,3,0,0,0,0|1,0,0]=4 4226 B12R1.49 C=CC(=O)N[C@H]1CC[C@@H](CC1)O f400b043056f721af4b8c92621f1bbdb [0,3,0,0,0,0|1,0,0]=4 4227 B12R1.49 C=CC(=O)N[C@H]1CC[C@H](CC1)C ad78be3ed24bca53fe813221ca36ade2 [0,3,0,0,0,0|1,0,0]=4 4228 B12R1.49 C=CC(=O)N[C@H]1CC[C@H](CC1)Cl 73a990b9938ff004f9004b0de4c13f18 [0,3,0,0,0,0|1,0,0]=4 4229 B12R1.49 C=CC(=O)N[C@H]1CC[C@H](CC1)O 89c19ab57dc8965e745f888f69f375f9 [0,3,0,0,0,0|1,0,0]=4 4230 B12R1.49 C=CC(C)OC1CCC(CC1)C 61932f60fcfaad3ad798abb7a6ecd247 [0,3,0,0,0,0|1,0,0]=4 4231 B12R1.49 C=CC(C)OC1CCC(CC1)F ed2d30e92736cdc983036af942597dd1 [0,3,0,0,0,0|1,0,0]=4 4232 B12R1.49 C=CC(C)O[C@H]1CC[C@@H](CC1)C ddcf8d0530d8d0879da7ead13c9ac560 [0,3,0,0,0,0|1,0,0]=4 4233 B12R1.49 C=CC(C)O[C@H]1CC[C@H](CC1)C 537b0b063099140af697342ba20d66f4 [0,3,0,0,0,0|1,0,0]=4 4234 B12R1.49 C=C[C@H](C)OC1CCC(CC1)C 20ccccb1b82f3cdffedb0deeb1a3a55b [0,3,0,0,0,0|1,0,0]=4 4235 B12R1.49 CC(C=O)NC1CCC(CC1)Cl e28b187449d1f1d757cec7383141382f [0,3,0,0,0,0|1,0,0]=4 4236 B12R1.49 CC(C=O)NC1CCC(CC1)O 19de81ad27a58ce58313e571ce805edf [0,3,0,0,0,0|1,0,0]=4 4237 B12R1.49 CC(C=O)N[C@H]1CC[C@@H](CC1)C 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B12R1.25 C=CCOC1CCCC(C1C)C dadf72550932785acdfbc6b60c2d73f6 [0,3,0,0,0,0|1,0,0]=4 4407 B12R1.25 CC1CCCC(C1C)NCC=O 1a64ded49997752f34962dcb313c182a [0,3,0,0,0,0|1,0,0]=4 4408 B12R1.25 CC1CCCC(C1C)OCC=O 77b6aea2c090f6803ec610fbfc4dae66 [0,3,0,0,0,0|0,0,0]=3 4409 B12R1.224 CC(=O)NC1CCCC(C1C)C 95f6c5ac06614b7c9d53925f9ebce8fd [0,3,0,0,0,0|1,0,0]=4 4410 B12R1.1081 O=CN[C@@H]1CCCC([C@H]1O)(F)F 28fedce4a7b13c33dfb4d9b228d7af0d [0,3,0,0,0,0|1,0,0]=4 4411 B12R1.1081 O=CN[C@H]1CCCC([C@@H]1O)(F)F be921ce70187b90dfc91e81dda6cbb27 [0,3,0,0,0,0|1,0,0]=4 4412 B12R1.121 C#CC1CCCCC1OCC=C 587a4a5542561293b75d0ba8694106a9 [0,3,0,0,0,0|1,0,0]=4 4413 B12R1.121 C#CC1CCCCC1OCC=O 258f9e5a77145dcfaa45a94b354daa2e [0,3,0,0,0,0|0,0,0]=3 4414 B12R1.121 C#C[C@@H]1CCCC[C@@H]1OCC=C 58f894786fd96f72fc616f9cd644fd61 [0,3,0,0,0,0|1,0,0]=4 4415 B12R1.121 C#C[C@@H]1CCCC[C@@H]1OCC=O 0a41512d8296a906088efe2e843b0a71 [0,3,0,0,0,0|0,0,0]=3 4416 B12R1.121 C#C[C@@H]1CCCC[C@H]1OCC=C 9f3f58c92eb7999aeffa5340cf2e2df4 [0,3,0,0,0,0|1,0,0]=4 4417 B12R1.121 C#C[C@@H]1CCCC[C@H]1OCC=O b69c1973e36dee7bb5d50ca52037a037 [0,3,0,0,0,0|0,0,0]=3 4418 B12R1.121 C=CCOC1CCCCC1CC ceba751363a441ab29d049ca7ae283de [0,3,0,0,0,0|1,0,0]=4 4419 B12R1.121 C=CCOC1CCCCC1OC f2d74caa7c82f71b72a8cce13af85b39 [0,3,0,0,0,0|1,0,0]=4 4420 B12R1.121 C=CCO[C@@H]1CCCC[C@H]1SC 140859d89bd6b54856cd96fd8285554a [0,3,0,0,0,0|1,0,0]=4 4421 B12R1.121 CCC1CCCCC1OCC=O f14040f87ba06a59db6544925632aa92 [0,3,0,0,0,0|0,0,0]=3 4422 B12R1.121 COC1CCCCC1NCC=O 43de09d12c22207ab4855f246d774cc3 [0,3,0,0,0,0|1,0,0]=4 4423 B12R1.121 COC1CCCCC1OCC=O 8bf8aea803f358b7dbb123b17eaf49f4 [0,3,0,0,0,0|0,0,0]=3 4424 B12R1.121 CO[C@H]1CCCC[C@@H]1NCC=O af2817e6941ade6a01a04231726691d4 [0,3,0,0,0,0|1,0,0]=4 4425 B12R1.121 CS[C@@H]1CCCC[C@H]1OCC=O 8d5d6d6bbd89c4c512b47baf2da47f13 [0,3,0,0,0,0|0,0,0]=3 4426 B12R1.121 N#CC1CCCCC1NCC=O c1066444d20ffdd398e5c77c1e2daa32 [0,3,0,0,0,0|1,0,0]=4 4427 B12R1.121 N#C[C@@H]1CCCC[C@@H]1NCC=O 1446f5af39dec97ec1dbf46ba3bd8510 [0,3,0,0,0,0|1,0,0]=4 4428 B12R1.121 O=CCN[C@@H]1CCCC[C@@H]1CO bc7159f10e670b609b47f042e121dd77 [0,3,0,0,0,0|1,0,0]=4 4429 B12R1.121 O=CCN[C@@H]1CCCC[C@H]1CO 593db98d2998e53e5914eb5f242f999a [0,3,0,0,0,0|1,0,0]=4 4430 B12R1.121 O=CCN[C@H]1CCCC[C@H]1CO 08a4a1985355443a56da0e004cbd7c61 [0,3,0,0,0,0|1,0,0]=4 4431 B12R1.125 C=C(Br)COC1CCCCC1C bdb9f073507cbc6a5e7952bae8af0061 [0,3,0,0,0,0|1,0,0]=4 4432 B12R1.125 C=C(Br)COC1CCCCC1F 88ad8762d1d3fd4f397aba7ccbdc164d [0,3,0,0,0,0|1,0,0]=4 4433 B12R1.125 C=C(Br)CO[C@@H]1CCCC[C@@H]1C f6fcc7197eb0f650fd2905604ed244e0 [0,3,0,0,0,0|1,0,0]=4 4434 B12R1.125 C=C(Br)CO[C@@H]1CCCC[C@H]1F ab3d8d6ced82a551a5296f18a76f7092 [0,3,0,0,0,0|1,0,0]=4 4435 B12R1.125 C=C(Br)CO[C@H]1CCCC[C@@H]1C 4edab6e59fe84116175f1629599ac681 [0,3,0,0,0,0|1,0,0]=4 4436 B12R1.125 C=C(Br)CO[C@H]1CCCC[C@H]1C d6ba02f5c26f7bedee893c73e1e9c32a [0,3,0,0,0,0|1,0,0]=4 4437 B12R1.125 C=C(C)COC1CCCCC1C c21ae74c6806932443719fd3e10e8ea8 [0,3,0,0,0,0|1,0,0]=4 4438 B12R1.125 C=C(C)COC1CCCCC1F 27541a70475baf219c537e7a31471876 [0,3,0,0,0,0|1,0,0]=4 4439 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@@H]1C ab673181c4a7b9ec245493339d874abb [0,3,0,0,0,0|1,0,0]=4 4440 B12R1.125 C=C(C)CO[C@@H]1CCCC[C@H]1F 2379ac0108816aa816a95364d0e83f01 [0,3,0,0,0,0|1,0,0]=4 4441 B12R1.125 C=C(C)CO[C@H]1CCCC[C@@H]1C 30804d0053f65e56d3ca7f6f0172ab4d [0,3,0,0,0,0|1,0,0]=4 4442 B12R1.125 C=C(C)CO[C@H]1CCCC[C@H]1C c869d5bab3e458a96656f87add14c36e [0,3,0,0,0,0|1,0,0]=4 4443 B12R1.125 C=C(Cl)COC1CCCCC1C f095e532beb1d9465e5d06b68305902d [0,3,0,0,0,0|1,0,0]=4 4444 B12R1.125 C=C(Cl)COC1CCCCC1F 117ceedb01e2c773987b7324e7178a7b [0,3,0,0,0,0|1,0,0]=4 4445 B12R1.125 C=C(Cl)CO[C@@H]1CCCC[C@@H]1C 9d551701085495a5c2b283908a082d98 [0,3,0,0,0,0|1,0,0]=4 4446 B12R1.125 C=C(Cl)CO[C@@H]1CCCC[C@H]1F 180f36f9614c05a91786b5aaf0b88736 [0,3,0,0,0,0|1,0,0]=4 4447 B12R1.125 C=C(Cl)CO[C@H]1CCCC[C@@H]1C a78e5b1bf0336b83fd5c66b9a5d40bf8 [0,3,0,0,0,0|1,0,0]=4 4448 B12R1.125 C=C(Cl)CO[C@H]1CCCC[C@H]1C 094133bea9e9985e279bd0bf91a549e4 [0,3,0,0,0,0|1,0,0]=4 4449 B12R1.125 C=C(F)COC1CCCCC1C 5c135062f5df668d8bf4f4e6c52c8eca [0,3,0,0,0,0|1,0,0]=4 4450 B12R1.125 C=C(F)COC1CCCCC1F 3f17f193cd43a68e7fdf2079d5fed307 [0,3,0,0,0,0|1,0,0]=4 4451 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@@H]1C de2219e8096e4c2bee49e325cefd4394 [0,3,0,0,0,0|1,0,0]=4 4452 B12R1.125 C=C(F)CO[C@@H]1CCCC[C@H]1F 51ffd45677d3bb3ebdac35098415b71c [0,3,0,0,0,0|1,0,0]=4 4453 B12R1.125 C=C(F)CO[C@H]1CCCC[C@@H]1C a3ce67ca73a9705fba39b1d629528ef7 [0,3,0,0,0,0|1,0,0]=4 4454 B12R1.125 C=C(F)CO[C@H]1CCCC[C@H]1C f88d287c7cf4382b60fe0bb63d408725 [0,3,0,0,0,0|1,0,0]=4 4455 B12R1.125 C=C(I)COC1CCCCC1F d12bf205d8117b7bc2fdea42f74344d4 [0,3,0,0,0,0|1,0,0]=4 4456 B12R1.125 C=C(I)CO[C@H]1CCCC[C@H]1C e18b3511c894babe966e1be287cb696f [0,3,0,0,0,0|1,0,0]=4 4457 B12R1.125 CC(=O)CNC1CCCCC1F 7d78a70482e7864878e494727152c0f6 [0,3,0,0,0,0|1,0,0]=4 4458 B12R1.125 CC(=O)CNC1CCCCC1O 406cf1374811ea0785bb6958cedaeacf [0,3,0,0,0,0|1,0,0]=4 4459 B12R1.125 CC(=O)CN[C@H]1CCCC[C@@H]1O a1d600d26dcaa0bf6a4d49ea7d4fbbe5 [0,3,0,0,0,0|1,0,0]=4 4460 B12R1.125 CC(=O)CN[C@H]1CCCC[C@H]1C ee102bf7fa95e24028ce4080aed42e05 [0,3,0,0,0,0|1,0,0]=4 4461 B12R1.125 CC(=O)COC1CCCCC1F d3d908bb03a8b6c8761ffc6d949871ca [0,3,0,0,0,0|0,0,0]=3 4462 B12R1.125 CC(=O)CO[C@H]1CCCC[C@H]1C 1dcd57c6fd842f45365c605c58c0076d [0,3,0,0,0,0|0,0,0]=3 4463 B12R1.125 CC(=O)NCC1CCCCC1C a21317628d068bc5e57e9a0774389ae3 [0,3,0,0,0,0|1,0,0]=4 4464 B12R1.125 CC(=O)NCC1CCCCC1O 65cd7f7d0c73c2de1dd34696d3b3510a [0,3,0,0,0,0|1,0,0]=4 4465 B12R1.125 CC(=O)OCN1CCCCC1C 505c2d536cf334657f3635be67c81c9a [0,3,0,0,0,0|1,0,0]=4 4466 B12R1.125 CC(=O)OCN1CCCC[C@@H]1C 4817a7d81240cda975148479d1d24fcc [0,3,0,0,0,0|1,0,0]=4 4467 B12R1.125 CC(=O)OCN1CCCC[C@H]1C 07d6a6c824a693c904bdf4f8f4c581e7 [0,3,0,0,0,0|1,0,0]=4 4468 B12R1.125 CC1CCCCC1NCC(=O)N 5cfc7e69138d37f4a4128ea6ab9f27f8 [0,3,0,0,0,0|1,0,0]=4 4469 B12R1.125 CC1CCCCC1NCC(=O)O b09a7a7f6b8cbd436b25a37fb8d89cda [0,3,0,0,0,0|1,0,0]=4 4470 B12R1.125 CC1CCCCC1OCC(=O)N 50abbd6e856278b74071b2363300eeb5 [0,3,0,0,0,0|0,0,0]=3 4471 B12R1.125 CC1CCCCC1OCC(=O)O abf18bab3fd3a06a5323de49c56b5de2 [0,3,0,0,0,0|0,0,0]=3 4472 B12R1.125 CC1CCCCC1OC[N+](=O)[O-] d0bd49ff702b873d42589c8b53455c1a [0,3,0,0,0,0|0,0,1]=4 4473 B12R1.125 CC1COCCC1OCC(=O)N 4ba644e24e7b4f34ce06b96d04e41fb9 [0,3,0,0,0,0|1,0,0]=4 4474 B12R1.125 CC1COCCC1OCC(=O)O 2667790cac15ffe412f1ea5eb208184e [0,3,0,0,0,0|1,0,0]=4 4475 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)N f0dec0d4ac1e9b7e25cd4df8e3a85502 [0,3,0,0,0,0|1,0,0]=4 4476 B12R1.125 C[C@@H]1CCCC[C@@H]1NCC(=O)O 7632a5bf53c142e4580acf93ede82a57 [0,3,0,0,0,0|1,0,0]=4 4477 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)N afcb7de7fcf23b61de1279e4d2a13827 [0,3,0,0,0,0|0,0,0]=3 4478 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=O)O 058100008c8586337bed34eca6a04016 [0,3,0,0,0,0|0,0,0]=3 4479 B12R1.125 C[C@@H]1CCCC[C@@H]1OCC(=S)N e625095601faafa6dc2addfecfbf4c47 [0,3,0,0,0,0|0,1,0]=4 4480 B12R1.125 C[C@@H]1CCCC[C@@H]1OCS(=O)O 88d4051fa9df9390b0ac3de3005dd636 [0,3,0,0,0,0|0,0,1]=4 4481 B12R1.125 C[C@@H]1CCCC[C@@H]1OC[N+](=O)[O-] afc6b70f875abfe437e6e490653d7b03 [0,3,0,0,0,0|0,0,1]=4 4482 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)N aa341aca77a767a42d961c8929486515 [0,3,0,0,0,0|1,0,0]=4 4483 B12R1.125 C[C@@H]1CCCC[C@H]1NCC(=O)O 5c454eb124ce5b3d92889a06237e847f [0,3,0,0,0,0|1,0,0]=4 4484 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)N 25816abb912dbb3352fee53d5ed8f376 [0,3,0,0,0,0|1,0,0]=4 4485 B12R1.125 C[C@H]1CCCC[C@@H]1NCC(=O)O 40f0f18769643cee425fe491ed7a5613 [0,3,0,0,0,0|1,0,0]=4 4486 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)N 046e23297b35629ed2c307011452773b [0,3,0,0,0,0|0,0,0]=3 4487 B12R1.125 C[C@H]1CCCC[C@@H]1OCC(=O)O 044aed10f4c3c89ecd76d791a1612e14 [0,3,0,0,0,0|0,0,0]=3 4488 B12R1.125 C[C@H]1CCCC[C@@H]1OC[N+](=O)[O-] cb78f0195c589468bfec51c9e6e54a9f [0,3,0,0,0,0|0,0,1]=4 4489 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)N 018f82303c03a999909785f0ffa1b3ee [0,3,0,0,0,0|1,0,0]=4 4490 B12R1.125 C[C@H]1CCCC[C@H]1NCC(=O)O 0ab6a34fb8a428f99e931db1915c7a5d [0,3,0,0,0,0|1,0,0]=4 4491 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)N d3534d09aff0842b73bbe01f2e14bec9 [0,3,0,0,0,0|0,0,0]=3 4492 B12R1.125 C[C@H]1CCCC[C@H]1OCC(=O)O 4ba3c5ece2b751a10a26e800b7b556bd [0,3,0,0,0,0|0,0,0]=3 4493 B12R1.125 C[C@H]1CCCC[C@H]1OC[N+](=O)[O-] 52c69a5104c0cc5a61a71346fa84595d [0,3,0,0,0,0|0,0,1]=4 4494 B12R1.125 NC(=O)CNC1CCCCC1F 71bf5c0f994adca2d3376a7aba5edd86 [0,3,0,0,0,0|1,0,0]=4 4495 B12R1.125 NC(=O)CNC1CCCCC1O a99c2914c824cc0295fc53be9000b9a1 [0,3,0,0,0,0|1,0,0]=4 4496 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1O a443be34c6aeabf5f3f992b747d90366 [0,3,0,0,0,0|1,0,0]=4 4497 B12R1.125 NC(=O)CN[C@H]1CCCC[C@@H]1O f07702f6cb1b17640331a93308c974c2 [0,3,0,0,0,0|1,0,0]=4 4498 B12R1.125 NC(=O)CN[C@H]1CCCC[C@H]1O b29f6cf1e70a1ba78c2e866085f574bf [0,3,0,0,0,0|1,0,0]=4 4499 B12R1.125 NC(=O)COC1CCCCC1=O 3c6c8ffba94802aa85981dc78e958286 [0,3,0,0,0,0|0,0,1]=4 4500 B12R1.125 NC(=O)COC1CCCCC1F 9e1d6389c4f6e68012ff489fb667fdb4 [0,3,0,0,0,0|0,0,0]=3 4501 B12R1.125 NC(=O)COC1CCOCC1F 9fb3289512fe256a818bc69ed8912051 [0,3,0,0,0,0|1,0,0]=4 4502 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F bbf7af7cd9d3b43f7ce1e20b59215335 [0,3,0,0,0,0|0,0,0]=3 4503 B12R1.125 NC(=O)CO[C@@H]1CCOC[C@@H]1F a76c17cd964457c5b6e550aceac3f6b6 [0,3,0,0,0,0|1,0,0]=4 4504 B12R1.125 NC(=O)CO[C@H]1CCOC[C@@H]1F 591428a8a4e77e7b9ef490fea23e996d [0,3,0,0,0,0|1,0,0]=4 4505 B12R1.125 NC(=O)CO[C@H]1CCOC[C@H]1F 2e4e5991c527eb49d5c4a253a77534cc [0,3,0,0,0,0|1,0,0]=4 4506 B12R1.125 NC(=S)COC1CCCCC1F b6275b3061fdecb151837f00cf06e194 [0,3,0,0,0,0|0,1,0]=4 4507 B12R1.125 O=C(O)CNC1CCCCC1F 0fe76f7b862f12575645294fdaa05021 [0,3,0,0,0,0|1,0,0]=4 4508 B12R1.125 O=C(O)CNC1CCCCC1O 2cd4bfe0f72606ee80ce52d63c64ed6e [0,3,0,0,0,0|1,0,0]=4 4509 B12R1.125 O=C(O)CN[C@@H]1CCCC[C@H]1O 69b9f83ab05871a940451e7c3815139c [0,3,0,0,0,0|1,0,0]=4 4510 B12R1.125 O=C(O)CN[C@H]1CCCC[C@@H]1O 81ee166f9afa274eecd6613ec6bb178c [0,3,0,0,0,0|1,0,0]=4 4511 B12R1.125 O=C(O)CN[C@H]1CCCC[C@H]1O bf04e0698dbfddffbbecbda08fb94cd4 [0,3,0,0,0,0|1,0,0]=4 4512 B12R1.125 O=C(O)COC1CCCCC1=O a26594c11ae1178bfed3dcdada85908c [0,3,0,0,0,0|0,0,1]=4 4513 B12R1.125 O=C(O)COC1CCCCC1F 7450e377d501afea5783005dc59e6f5b [0,3,0,0,0,0|0,0,0]=3 4514 B12R1.125 O=C(O)COC1CCOCC1F b919054d4cfd0d7d645a83e20a44a9a3 [0,3,0,0,0,0|1,0,0]=4 4515 B12R1.125 O=C(O)CO[C@@H]1CCCC[C@H]1F 0d39ddfede57a04949d271fa58f1c3d0 [0,3,0,0,0,0|0,0,0]=3 4516 B12R1.125 O=C(O)CO[C@@H]1CCOC[C@@H]1F a20efc8cf022f55e7795accb64920b10 [0,3,0,0,0,0|1,0,0]=4 4517 B12R1.125 O=C(O)CO[C@H]1CCOC[C@@H]1F f7885af58ad9de2448450ac14fc56fb1 [0,3,0,0,0,0|1,0,0]=4 4518 B12R1.125 O=C(O)CO[C@H]1CCOC[C@H]1F ae08f7f6f26061fa4267b7d01b7b8160 [0,3,0,0,0,0|1,0,0]=4 4519 B12R1.125 O=S(O)COC1CCCCC1F 5e8e5b4afea9c8c3b47295e2a5beb883 [0,3,0,0,0,0|0,0,1]=4 4520 B12R1.125 O=[N+]([O-])COC1CCCCC1F 120ea4c811fe80657849b456d2917a0e [0,3,0,0,0,0|0,0,1]=4 4521 B12R1.125 O=[N+]([O-])CO[C@@H]1CCCC[C@H]1F 4693b61fdc2513776ac74a5d0ad1da32 [0,3,0,0,0,0|0,0,1]=4 4522 B12R1.267 C/C=C/COC1CCCCC1C 63c7c1085d567751494d3e14a56b6cc3 [0,3,0,0,0,0|1,0,0]=4 4523 B12R1.267 C/C=C/COC1CCCCC1F dce961ff9c62765a21d79d2f71968c18 [0,3,0,0,0,0|1,0,0]=4 4524 B12R1.267 C/C=C/CO[C@@H]1CCCC[C@@H]1C b4af15789d03d1d99a72d52be9bfb234 [0,3,0,0,0,0|1,0,0]=4 4525 B12R1.267 C/C=C/CO[C@@H]1CCCC[C@H]1F 2253e9ea51c2158d79939e1e2b68c7d1 [0,3,0,0,0,0|1,0,0]=4 4526 B12R1.267 C/C=C/CO[C@H]1CCCC[C@@H]1C 1e81cd513e8f993eb5543591ddf1814e [0,3,0,0,0,0|1,0,0]=4 4527 B12R1.267 C/C=C/CO[C@H]1CCCC[C@H]1C 42777f3fca2a43f9bf7ea5424b279f8a [0,3,0,0,0,0|1,0,0]=4 4528 B12R1.267 C/C=C\COC1CCCCC1C 7d01946b3cf65c4e3a534c080cdd7b7d [0,3,0,0,0,0|1,0,0]=4 4529 B12R1.267 C/C=C\COC1CCCCC1F 7cc106ac2b87301ac61a6f61c356dfb8 [0,3,0,0,0,0|1,0,0]=4 4530 B12R1.267 C/C=C\CO[C@@H]1CCCC[C@@H]1C 95f22bf483103fabf940053dbbaa30d2 [0,3,0,0,0,0|1,0,0]=4 4531 B12R1.267 C/C=C\CO[C@@H]1CCCC[C@H]1F abc9d2c48b478f81793b51198e548488 [0,3,0,0,0,0|1,0,0]=4 4532 B12R1.267 C/C=C\CO[C@H]1CCCC[C@@H]1C 55a4940e3ff54b7f579f990bd080e691 [0,3,0,0,0,0|1,0,0]=4 4533 B12R1.267 C/C=C\CO[C@H]1CCCC[C@H]1C 3ab2b16acc4fa398031a643f4e3bc3b9 [0,3,0,0,0,0|1,0,0]=4 4534 B12R1.267 C=CCCOC1CCCCC1C 188fbd066ea54bc629affb1916484cbc [0,3,0,0,0,0|1,0,0]=4 4535 B12R1.267 C=CCCOC1CCCCC1F d20372ee710e161d9dfb8d7be30ca2d0 [0,3,0,0,0,0|1,0,0]=4 4536 B12R1.267 C=CCCO[C@@H]1CCCC[C@@H]1C 6a37107ad6df6582c9a7859620bd722d [0,3,0,0,0,0|1,0,0]=4 4537 B12R1.267 C=CCCO[C@@H]1CCCC[C@H]1F da1239a5da1307b8f4cadf262b217bc9 [0,3,0,0,0,0|1,0,0]=4 4538 B12R1.267 C=CCCO[C@H]1CCCC[C@@H]1C 73299c6f58812968a6c267656c4bc0d2 [0,3,0,0,0,0|1,0,0]=4 4539 B12R1.267 C=CCCO[C@H]1CCCC[C@H]1C b5f12d25b463ac60c229c5bc328525c4 [0,3,0,0,0,0|1,0,0]=4 4540 B12R1.267 CC1CCCCC1CNCC=O f0cb6f0697476affc44405a0191afa78 [0,3,0,0,0,0|1,0,0]=4 4541 B12R1.267 CC1CCCCC1NCCC=O 0c98da41bf7de5feac828c4a818f9176 [0,3,0,0,0,0|1,0,0]=4 4542 B12R1.267 CC1CCCCC1OC/C=C/Cl 46127065734d7d29f0082819460f4556 [0,3,0,0,0,0|1,0,0]=4 4543 B12R1.267 CC1CCCCC1OC/C=C\Cl 03f21e2957a36516a01f70456b87463c [0,3,0,0,0,0|1,0,0]=4 4544 B12R1.267 CC1CCCCC1OCCC=O 269449b6f9b53e96c69b08415d53cea1 [0,3,0,0,0,0|0,0,0]=3 4545 B12R1.267 CC1COCCC1OCCC=O 819479c9e0641dcb3e3ed5e0a104bfc5 [0,3,0,0,0,0|1,0,0]=4 4546 B12R1.267 CC=CCOC1CCCCC1F 6dc3afaeda7fd0fec56fe9eab5438209 [0,3,0,0,0,0|1,0,0]=4 4547 B12R1.267 CC=CCO[C@H]1CCCC[C@H]1C abc87f3c920418d305d2d564c8e86afd [0,3,0,0,0,0|1,0,0]=4 4548 B12R1.267 CN1CCCCC1COCC=O a8ec320812a6d63eecd856b57bb43e07 [0,3,0,0,0,0|1,0,0]=4 4549 B12R1.267 CN1CCCC[C@@H]1COCC=O 85a657e4de327891b23878a3c9c43c06 [0,3,0,0,0,0|1,0,0]=4 4550 B12R1.267 CN1CCCC[C@H]1COCC=O 7dfbd47f66edb4aca4eea4aea8c8bf44 [0,3,0,0,0,0|1,0,0]=4 4551 B12R1.267 C[C@@H]1CCCC[C@@H]1NCCC=O ef1a89d225c9b48c704e7d4ee0bfb8a1 [0,3,0,0,0,0|1,0,0]=4 4552 B12R1.267 C[C@@H]1CCCC[C@@H]1OC/C=C/Cl 09cd38b05f49b805595faf121694ad2d [0,3,0,0,0,0|1,0,0]=4 4553 B12R1.267 C[C@@H]1CCCC[C@@H]1OC/C=C\Cl 9e2814734ac45e135c8caa0fce1c132d [0,3,0,0,0,0|1,0,0]=4 4554 B12R1.267 C[C@@H]1CCCC[C@@H]1OCC=CCl cde89dfc3c96f0368cc1835bc26fd092 [0,3,0,0,0,0|1,0,0]=4 4555 B12R1.267 C[C@@H]1CCCC[C@@H]1OCCC=O cdd2d45627683ac93f27a4091f159a67 [0,3,0,0,0,0|0,0,0]=3 4556 B12R1.267 C[C@@H]1CCCC[C@H]1NCCC=O 164e072f4d5640fdbedd7592ba7262c4 [0,3,0,0,0,0|1,0,0]=4 4557 B12R1.267 C[C@H]1CCCC[C@@H]1NCCC=O dfadae57f64eca9b843fbaf0e6397beb [0,3,0,0,0,0|1,0,0]=4 4558 B12R1.267 C[C@H]1CCCC[C@@H]1OC/C=C/Cl 0cf7703dd48796661be092f742268cfb [0,3,0,0,0,0|1,0,0]=4 4559 B12R1.267 C[C@H]1CCCC[C@@H]1OC/C=C\Cl ecc9a70cc34b70bcd06c11944bdfb1d7 [0,3,0,0,0,0|1,0,0]=4 4560 B12R1.267 C[C@H]1CCCC[C@@H]1OCCC=O a59d86bd89f42217062b31e90daf7a25 [0,3,0,0,0,0|0,0,0]=3 4561 B12R1.267 C[C@H]1CCCC[C@H]1NCCC=O b3eee5cb2efb81574efb031b10c964f4 [0,3,0,0,0,0|1,0,0]=4 4562 B12R1.267 C[C@H]1CCCC[C@H]1OC/C=C/Cl 675188b77ff8825252c63083d7c8c939 [0,3,0,0,0,0|1,0,0]=4 4563 B12R1.267 C[C@H]1CCCC[C@H]1OC/C=C\Cl 68a862a9501cf52dbc3e6bace7d6ac5e [0,3,0,0,0,0|1,0,0]=4 4564 B12R1.267 C[C@H]1CCCC[C@H]1OCCC=O c72196c665362efebb7370429b653275 [0,3,0,0,0,0|0,0,0]=3 4565 B12R1.267 FC1CCCCC1OC/C=C/Cl db820b72a2458781430a05ec53eb35a6 [0,3,0,0,0,0|1,0,0]=4 4566 B12R1.267 FC1CCCCC1OC/C=C\Cl 8ce59c2c85f8408fedea8fb83773c014 [0,3,0,0,0,0|1,0,0]=4 4567 B12R1.267 FC1CCCCC1OCC=CCl 3b0bc9b3c93828a00e15c9b241fe24e7 [0,3,0,0,0,0|1,0,0]=4 4568 B12R1.267 F[C@@H]1CCCC[C@H]1OC/C=C/Cl 4ad7bd4b3842ec1fb2a86e18636b4ad1 [0,3,0,0,0,0|1,0,0]=4 4569 B12R1.267 F[C@@H]1CCCC[C@H]1OC/C=C\Cl fee16f8ce7330c1bef351bcc5faf931d [0,3,0,0,0,0|1,0,0]=4 4570 B12R1.267 O=CCCNC1CCCCC1O f888b6cbc1d856550b6749b3e56530d4 [0,3,0,0,0,0|1,0,0]=4 4571 B12R1.267 O=CCCN[C@@H]1CCCC[C@H]1O 189cc3685fb8e9ed0dc84ebd61fc8ad1 [0,3,0,0,0,0|1,0,0]=4 4572 B12R1.267 O=CCCN[C@H]1CCCC[C@@H]1O 1bb04c292927dbb6739e34275c80de2f [0,3,0,0,0,0|1,0,0]=4 4573 B12R1.267 O=CCCN[C@H]1CCCC[C@H]1O a2d521d6692bc7659156fcd3545fd7a6 [0,3,0,0,0,0|1,0,0]=4 4574 B12R1.267 O=CCCOC1CCCCC1=O 1f0c97bcbc11a71c8ddb76f0d6c075bf [0,3,0,0,0,0|0,0,1]=4 4575 B12R1.267 O=CCCOC1CCCCC1F 608c4ecb26b12248c6bdc43a06788d87 [0,3,0,0,0,0|0,0,0]=3 4576 B12R1.267 O=CCCOC1CCOCC1F 49946f748abd5deaf2e8a9c20cc82b93 [0,3,0,0,0,0|1,0,0]=4 4577 B12R1.267 O=CCCO[C@@H]1CCCC[C@H]1F 9d1cbb1764b6560d9c7725b3d6692158 [0,3,0,0,0,0|0,0,0]=3 4578 B12R1.267 O=CCCO[C@@H]1CCOC[C@@H]1F a6dc94883ce8b5dc7e4bdc3ef2677c70 [0,3,0,0,0,0|1,0,0]=4 4579 B12R1.267 O=CCCO[C@H]1CCOC[C@@H]1F 194287d35be0e06becddb715d3044271 [0,3,0,0,0,0|1,0,0]=4 4580 B12R1.267 O=CCCO[C@H]1CCOC[C@H]1F 96530ac90454d9c95ae9daf50163f933 [0,3,0,0,0,0|1,0,0]=4 4581 B12R1.267 O=CCNCC1CCCCC1O 60b989c9c95dedfc52162acc074e732c [0,3,0,0,0,0|1,0,0]=4 4582 B12R1.267 O=CCOCC1CCCCC1=O a020613d93f421e27473936efd5b7152 [0,3,0,0,0,0|0,0,1]=4 4583 B12R1.308 CN(CC=O)[C@@H]1CCCC[C@H]1O de24c1d3af9c7ad7203714bdbdbc6444 [0,3,0,0,0,0|1,0,0]=4 4584 B12R1.308 CN(CC=O)[C@H]1CCCC[C@@H]1O 1befb286b68d2a714b0a639d19308e1f [0,3,0,0,0,0|1,0,0]=4 4585 B12R1.308 CN(CC=O)[C@H]1CCCC[C@H]1O b8f350862aceaa0efcc67fd32184b3d6 [0,3,0,0,0,0|1,0,0]=4 4586 B12R1.371 C#CC(=O)NC1CCCCC1C 538845e2032e1ddceaf100e3a3432a1f [0,3,0,0,0,0|1,0,0]=4 4587 B12R1.371 C#CC(=O)NC1CCCCC1O 74cb8094649f2011de4e1c46f1e0d2d9 [0,3,0,0,0,0|1,0,0]=4 4588 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@@H]1C 61b74d78154b7f8f472e9c3c5c4eb540 [0,3,0,0,0,0|1,0,0]=4 4589 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@H]1C 2fd8894e9e7639de45725335dfe8b983 [0,3,0,0,0,0|1,0,0]=4 4590 B12R1.371 C#CC(=O)N[C@@H]1CCCC[C@H]1O 92be0aba609f170a36b21eba9364e300 [0,3,0,0,0,0|1,0,0]=4 4591 B12R1.371 C#CC(=O)N[C@H]1CCCC[C@@H]1C f7d8dee62c2b2d9021092c9ab1e6fcf4 [0,3,0,0,0,0|1,0,0]=4 4592 B12R1.371 C#CC(=O)N[C@H]1CCCC[C@@H]1O 3dac3e20ac0406d4643669da453bbd79 [0,3,0,0,0,0|1,0,0]=4 4593 B12R1.371 C#CC(=O)N[C@H]1CCCC[C@H]1C 622d48102afee3affd123b1abf9b6b80 [0,3,0,0,0,0|1,0,0]=4 4594 B12R1.371 C#CC(=O)N[C@H]1CCCC[C@H]1O 88cdf16013a1570f5b53fc451a94ba4c [0,3,0,0,0,0|1,0,0]=4 4595 B12R1.371 C=C(C=O)OC1CCCCC1=O 55e625e12abcadbcaaaab73903083ded [0,3,0,0,0,0|0,0,1]=4 4596 B12R1.371 C=C(C=O)OC1CCCCC1F ed06271f0991edaa158eccfe1c5b0a41 [0,3,0,0,0,0|0,0,0]=3 4597 B12R1.371 C=C(C=O)O[C@H]1CCCC[C@H]1C d9ab69f05a967b65996e09931a72ed1e [0,3,0,0,0,0|0,0,0]=3 4598 B12R1.371 C=CC(=O)NC1CCCCC1C 9f4ab2b72bf51e9357c6bcedc9438262 [0,3,0,0,0,0|1,0,0]=4 4599 B12R1.371 C=CC(=O)NC1CCCCC1O 8301a8522f1a7857a5d47b3d753bd9ef [0,3,0,0,0,0|1,0,0]=4 4600 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@@H]1C 34ae69f611faff908bf9ad73c9e8bf59 [0,3,0,0,0,0|1,0,0]=4 4601 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@H]1C 5cf88560f21d0dfa14c7fcd1101a434d [0,3,0,0,0,0|1,0,0]=4 4602 B12R1.371 C=CC(=O)N[C@@H]1CCCC[C@H]1O 456dcbb4bd0f48d0ae36a36c25c458dd [0,3,0,0,0,0|1,0,0]=4 4603 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@@H]1C 5541f0c212721c1c498513ac65d7da28 [0,3,0,0,0,0|1,0,0]=4 4604 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@@H]1O 935da09bbe46922326e96d0e7e76c951 [0,3,0,0,0,0|1,0,0]=4 4605 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@H]1C 46a4e6902f34e2188ba43d842e2ddc96 [0,3,0,0,0,0|1,0,0]=4 4606 B12R1.371 C=CC(=O)N[C@H]1CCCC[C@H]1O 04ee10c88210266ad9a82a1a2a211669 [0,3,0,0,0,0|1,0,0]=4 4607 B12R1.371 C=CC(C)OC1CCCCC1C 8448eec9e904e32505c18857101bcfea [0,3,0,0,0,0|1,0,0]=4 4608 B12R1.371 C=CC(C)OC1CCCCC1F aa888ad9efae6d2424f12a2ed8c29555 [0,3,0,0,0,0|1,0,0]=4 4609 B12R1.371 C=CC(C)O[C@@H]1CCCC[C@@H]1C 7967b07a90f55825b8b59f605f494e09 [0,3,0,0,0,0|1,0,0]=4 4610 B12R1.371 C=CC(C)O[C@@H]1CCCC[C@H]1F 98091c47f590ef95d894af4d63a0c19f [0,3,0,0,0,0|1,0,0]=4 4611 B12R1.371 C=CC(C)O[C@H]1CCCC[C@@H]1C d8d81ab1ad9ca17106f5454646788baa [0,3,0,0,0,0|1,0,0]=4 4612 B12R1.371 C=CC(C)O[C@H]1CCCC[C@H]1C d60ef7befcad6d3a753e7daf6b333015 [0,3,0,0,0,0|1,0,0]=4 4613 B12R1.371 C=C[C@H](C)OC1CCCCC1F 069336e9652a289b9b9426d0ebf2608c [0,3,0,0,0,0|1,0,0]=4 4614 B12R1.371 C=C[C@H](C)O[C@H]1CCCC[C@H]1C 4b154e254e46f2e23c543c915e5ccb49 [0,3,0,0,0,0|1,0,0]=4 4615 B12R1.371 CC(C=O)NC1CCCCC1C 7e1355b08b9f6dd402d06f91ca573da9 [0,3,0,0,0,0|1,0,0]=4 4616 B12R1.371 CC(C=O)NC1CCCCC1O e58a8dd5d9c7ae7d50ab39288f4e53a3 [0,3,0,0,0,0|1,0,0]=4 4617 B12R1.371 CC(C=O)N[C@@H]1CCCC[C@@H]1C 6fff5cfa1f56caf60a5277e6c9f1d230 [0,3,0,0,0,0|1,0,0]=4 4618 B12R1.371 CC(C=O)N[C@@H]1CCCC[C@H]1C e8de3dc4fd1805ab18075691519d056c [0,3,0,0,0,0|1,0,0]=4 4619 B12R1.371 CC(C=O)N[C@@H]1CCCC[C@H]1O b08dfd6fe05ede14ed82d3c8b0291d0c [0,3,0,0,0,0|1,0,0]=4 4620 B12R1.371 CC(C=O)N[C@H]1CCCC[C@@H]1C ceece1d97a1d45439bd703b35350fa45 [0,3,0,0,0,0|1,0,0]=4 4621 B12R1.371 CC(C=O)N[C@H]1CCCC[C@@H]1O 5d9cef6f6aebfa4b5fdf6117a1be35ff [0,3,0,0,0,0|1,0,0]=4 4622 B12R1.371 CC(C=O)N[C@H]1CCCC[C@H]1C f586e50360f1a00fbd2e3110ded42427 [0,3,0,0,0,0|1,0,0]=4 4623 B12R1.371 CC(C=O)N[C@H]1CCCC[C@H]1O d1d342c9ed2b3e0effc89825a2873d04 [0,3,0,0,0,0|1,0,0]=4 4624 B12R1.371 CC(C=O)OC1CCCCC1=O 3ab42242a8495329fa47c55a806642a8 [0,3,0,0,0,0|0,0,1]=4 4625 B12R1.371 CC(C=O)OC1CCCCC1C df091273384333450e84564480a7d1fd [0,3,0,0,0,0|0,0,0]=3 4626 B12R1.371 CC(C=O)OC1CCCCC1F a88d18b9c25d518ee06840a8eecfbc46 [0,3,0,0,0,0|0,0,0]=3 4627 B12R1.371 CC(C=O)OC1CCOCC1C e1529bfee16eddd51b4333a0cf98dad6 [0,3,0,0,0,0|1,0,0]=4 4628 B12R1.371 CC(C=O)OC1CCOCC1F 8022f3020a9a0fa2f761f55467ff38c5 [0,3,0,0,0,0|1,0,0]=4 4629 B12R1.371 CC(C=O)O[C@@H]1CCCC[C@@H]1C b1aa7e3fae5cfe58bda6cc623773b391 [0,3,0,0,0,0|0,0,0]=3 4630 B12R1.371 CC(C=O)O[C@@H]1CCCC[C@H]1F 8c703e89b09bd7dd3a22534c7a7dde72 [0,3,0,0,0,0|0,0,0]=3 4631 B12R1.371 CC(C=O)O[C@@H]1CCOC[C@@H]1F 0cbf4714c31b876f8daa75c5748c3df1 [0,3,0,0,0,0|1,0,0]=4 4632 B12R1.371 CC(C=O)O[C@H]1CCCC[C@@H]1C 5ba9f1ae69772dfe7442301810e5f794 [0,3,0,0,0,0|0,0,0]=3 4633 B12R1.371 CC(C=O)O[C@H]1CCCC[C@H]1C 8de1d1c96036e6a2acadbe7b0eb49ee2 [0,3,0,0,0,0|0,0,0]=3 4634 B12R1.371 CC(C=O)O[C@H]1CCOC[C@@H]1F 4f68ca54b12c19cd108a6f897347d861 [0,3,0,0,0,0|1,0,0]=4 4635 B12R1.371 CC(C=O)O[C@H]1CCOC[C@H]1F dbd12e6d15641fe9cda8fa1990855245 [0,3,0,0,0,0|1,0,0]=4 4636 B12R1.371 CC1CCCCC1NC(=O)C=O 95293c0a6172839129a4fd23a2c2d553 [0,3,0,0,0,0|1,0,0]=4 4637 B12R1.371 CC1CCCCC1NC(=O)CF f36ff1d4a1957211ccc4fe357c281cc5 [0,3,0,0,0,0|1,0,0]=4 4638 B12R1.371 CC1CCCCC1NC(=O)CO 10d85665d1aa20597c85d8c4af68a2b9 [0,3,0,0,0,0|1,0,0]=4 4639 B12R1.371 CC1CCCCC1NC(=O)CS b6f5ba53e5a7c8b7a1ab967079ca9196 [0,3,0,0,0,0|1,0,0]=4 4640 B12R1.371 CC1CCCCC1N[C@H](C)C=O ce8de5fb1b95488f412d6961bc61c9f5 [0,3,0,0,0,0|1,0,0]=4 4641 B12R1.371 CC1CCCCC1O[C@H](C)C=O 1b53591202237cceff76cf3389ff6272 [0,3,0,0,0,0|0,0,0]=3 4642 B12R1.371 CC1COCCC1O[C@H](C)C=O f6c11308afd4da3ae8ecaa3d0aa28919 [0,3,0,0,0,0|1,0,0]=4 4643 B12R1.371 CCC(=O)NC1CCCCC1C 49ae2a73276f250ed23e1a20e874d7a0 [0,3,0,0,0,0|1,0,0]=4 4644 B12R1.371 CCC(=O)NC1CCCCC1O fa66af2e3d8ea02c86d9a91a76d15129 [0,3,0,0,0,0|1,0,0]=4 4645 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1C ad1e235c2bdb5be6d06e9f757c8d05e8 [0,3,0,0,0,0|1,0,0]=4 4646 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1C a9d1e65296d3c851dcb489c997dbd768 [0,3,0,0,0,0|1,0,0]=4 4647 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1O 9ba8856dbdeb9ff0d0f25e918d1454f4 [0,3,0,0,0,0|1,0,0]=4 4648 B12R1.371 CCC(=O)N[C@H]1CCCC[C@@H]1C 6a021d1f6d7dad7e32cab96f97f500ef [0,3,0,0,0,0|1,0,0]=4 4649 B12R1.371 CCC(=O)N[C@H]1CCCC[C@@H]1O ca9523bfc3441ebb75f854f8962533d7 [0,3,0,0,0,0|1,0,0]=4 4650 B12R1.371 CCC(=O)N[C@H]1CCCC[C@H]1C 707d34554a21b9963204cbdd87ceac15 [0,3,0,0,0,0|1,0,0]=4 4651 B12R1.371 CCC(=O)N[C@H]1CCCC[C@H]1O a8cf29089415e2d44dffa13c7a3b42ff [0,3,0,0,0,0|1,0,0]=4 4652 B12R1.371 C[C@@H]1CCCC[C@@H]1NC(=O)C=O 9c5bcc9aac1aa11ff2d7fd55aabc0020 [0,3,0,0,0,0|1,0,0]=4 4653 B12R1.371 C[C@@H]1CCCC[C@@H]1NC(=O)CF fd4089049a5e3fb898853805dee1c5c0 [0,3,0,0,0,0|1,0,0]=4 4654 B12R1.371 C[C@@H]1CCCC[C@@H]1NC(=O)CO ab0df37acc3f999c1c51d754d5ad9b5e [0,3,0,0,0,0|1,0,0]=4 4655 B12R1.371 C[C@@H]1CCCC[C@@H]1NC(=O)CS 4a607f95e7c781e94ee3eb988c35f280 [0,3,0,0,0,0|1,0,0]=4 4656 B12R1.371 C[C@@H]1CCCC[C@H]1NC(=O)C=O d9d4c345b94b9813f1ca76329da0e80b [0,3,0,0,0,0|1,0,0]=4 4657 B12R1.371 C[C@@H]1CCCC[C@H]1NC(=O)CF 35713c31057997341e0cfe111c9681a9 [0,3,0,0,0,0|1,0,0]=4 4658 B12R1.371 C[C@@H]1CCCC[C@H]1NC(=O)CO fe32ce9f14a2076288dba28ea257f6a5 [0,3,0,0,0,0|1,0,0]=4 4659 B12R1.371 C[C@@H]1CCCC[C@H]1NC(=O)CS 35077c36e0910241e8d52ab30a9dccd0 [0,3,0,0,0,0|1,0,0]=4 4660 B12R1.371 C[C@H](C=O)NC1CCCCC1O c3111e055cfaf96013c73c7da119da27 [0,3,0,0,0,0|1,0,0]=4 4661 B12R1.371 C[C@H](C=O)N[C@@H]1CCCC[C@@H]1C 341ceb5c1e1a0841fe084d65528fd594 [0,3,0,0,0,0|1,0,0]=4 4662 B12R1.371 C[C@H](C=O)N[C@@H]1CCCC[C@H]1C b610afa49dc0bca5d92e65b4958f1785 [0,3,0,0,0,0|1,0,0]=4 4663 B12R1.371 C[C@H](C=O)N[C@@H]1CCCC[C@H]1O a6951db76f6419d0a449084cd202127b [0,3,0,0,0,0|1,0,0]=4 4664 B12R1.371 C[C@H](C=O)N[C@H]1CCCC[C@@H]1C cfcc783969ea81c8c16ebccaddf847c3 [0,3,0,0,0,0|1,0,0]=4 4665 B12R1.371 C[C@H](C=O)N[C@H]1CCCC[C@@H]1O 7e557b1ca96d28ac9f67e90647f09dce [0,3,0,0,0,0|1,0,0]=4 4666 B12R1.371 C[C@H](C=O)N[C@H]1CCCC[C@H]1C 052b5d1617ea707a700b2f814cfbe604 [0,3,0,0,0,0|1,0,0]=4 4667 B12R1.371 C[C@H](C=O)N[C@H]1CCCC[C@H]1O 5b000e5b11727fd7a424f72128fe92ef [0,3,0,0,0,0|1,0,0]=4 4668 B12R1.371 C[C@H](C=O)OC1CCCCC1=O 56791d910aea2d691afd99afe943d21b [0,3,0,0,0,0|0,0,1]=4 4669 B12R1.371 C[C@H](C=O)OC1CCCCC1F 6f01ff6303e89a8acf9c3a2101cf6dde [0,3,0,0,0,0|0,0,0]=3 4670 B12R1.371 C[C@H](C=O)OC1CCOCC1F 8bd0b2ea88eb6b88b1195f4f615b4139 [0,3,0,0,0,0|1,0,0]=4 4671 B12R1.371 C[C@H](C=O)O[C@@H]1CCCC[C@@H]1C bedacdf1c3230c22a6ee495ff937e326 [0,3,0,0,0,0|0,0,0]=3 4672 B12R1.371 C[C@H](C=O)O[C@@H]1CCCC[C@H]1F f9836df20dae272fe89c128fd8286fd0 [0,3,0,0,0,0|0,0,0]=3 4673 B12R1.371 C[C@H](C=O)O[C@@H]1CCOC[C@@H]1F 89a9ba1c5023b721ab1327b8b5647c3c [0,3,0,0,0,0|1,0,0]=4 4674 B12R1.371 C[C@H](C=O)O[C@H]1CCCC[C@@H]1C 04609d2252d6ea0466b6f6dc28c2e660 [0,3,0,0,0,0|0,0,0]=3 4675 B12R1.371 C[C@H](C=O)O[C@H]1CCCC[C@H]1C 8ca6aaaa3d454c7409f09ad56d99a849 [0,3,0,0,0,0|0,0,0]=3 4676 B12R1.371 C[C@H](C=O)O[C@H]1CCOC[C@@H]1F d9b0c573fa1d2312573bc01839ef20af [0,3,0,0,0,0|1,0,0]=4 4677 B12R1.371 C[C@H](C=O)O[C@H]1CCOC[C@H]1F bff0ce48ebc388097bfb8c57eba9d952 [0,3,0,0,0,0|1,0,0]=4 4678 B12R1.371 C[C@H]1CCCC[C@@H]1NC(=O)C=O 05247bf7c39d2c70e2ffbfeb58879148 [0,3,0,0,0,0|1,0,0]=4 4679 B12R1.371 C[C@H]1CCCC[C@@H]1NC(=O)CF fe18308ef9e59f4a0bf0ec179ba2199c [0,3,0,0,0,0|1,0,0]=4 4680 B12R1.371 C[C@H]1CCCC[C@@H]1NC(=O)CO 73e2447e94f1a3b9557cb2f9a2caffbb [0,3,0,0,0,0|1,0,0]=4 4681 B12R1.371 C[C@H]1CCCC[C@@H]1NC(=O)CS b6fb14870026bf389f94301666a4f8a1 [0,3,0,0,0,0|1,0,0]=4 4682 B12R1.371 C[C@H]1CCCC[C@H]1NC(=O)C=O 2907347a42298afd195b941d555f8f40 [0,3,0,0,0,0|1,0,0]=4 4683 B12R1.371 C[C@H]1CCCC[C@H]1NC(=O)CF 7cdef9b9673d3e635d25eb888c501bd7 [0,3,0,0,0,0|1,0,0]=4 4684 B12R1.371 C[C@H]1CCCC[C@H]1NC(=O)CO 7197e0a8ca9ce0c8f89a663841119e9f [0,3,0,0,0,0|1,0,0]=4 4685 B12R1.371 C[C@H]1CCCC[C@H]1NC(=O)CS 3863d4b6096501e52e5747e39094b3cf [0,3,0,0,0,0|1,0,0]=4 4686 B12R1.371 O=C(CF)NC1CCCCC1O ec2d01fd8c744a9bbd3757548a609458 [0,3,0,0,0,0|1,0,0]=4 4687 B12R1.371 O=C(CF)N[C@@H]1CCCC[C@H]1O 2d20cc39d60088447eab2c9c94db1baf [0,3,0,0,0,0|1,0,0]=4 4688 B12R1.371 O=C(CF)N[C@H]1CCCC[C@@H]1O 402e475974a5f896b78a252a4e4feec6 [0,3,0,0,0,0|1,0,0]=4 4689 B12R1.371 O=C(CF)N[C@H]1CCCC[C@H]1O 6286e466672bc7e2333cc435bbaa7c22 [0,3,0,0,0,0|1,0,0]=4 4690 B12R1.371 O=C(CO)NC1CCCCC1O b099e2625e63d9387de92e51add1b84c [0,3,0,0,0,0|1,0,0]=4 4691 B12R1.371 O=C(CO)N[C@@H]1CCCC[C@H]1O 28c93333940a0b1eea7cc7b5c5850fa3 [0,3,0,0,0,0|1,0,0]=4 4692 B12R1.371 O=C(CO)N[C@H]1CCCC[C@@H]1O 8cf1af063082c8e15c6bcfbd738e4b95 [0,3,0,0,0,0|1,0,0]=4 4693 B12R1.371 O=C(CO)N[C@H]1CCCC[C@H]1O 1597f504e40f23987bcff4f29532bb03 [0,3,0,0,0,0|1,0,0]=4 4694 B12R1.371 O=CC(=O)NC1CCCCC1O 2b4f319918bc3d8d9476224acd68a725 [0,3,0,0,0,0|1,0,0]=4 4695 B12R1.371 O=CC(=O)N[C@@H]1CCCC[C@H]1O 57afb7ea42df98c13b12838161a90e96 [0,3,0,0,0,0|1,0,0]=4 4696 B12R1.371 O=CC(=O)N[C@H]1CCCC[C@@H]1O b7514c06f59c19ff7770bf52b2586527 [0,3,0,0,0,0|1,0,0]=4 4697 B12R1.371 O=CC(=O)N[C@H]1CCCC[C@H]1O ff4019dbbbd6cc9b8a2f2293f76c861d [0,3,0,0,0,0|1,0,0]=4 4698 B12R1.374 C=CCOC1CC(CCC1C)C 9511bef4782298a4ece3260acb868c4e [0,3,0,0,0,0|1,0,0]=4 4699 B12R1.374 CC1CCC(C(C1)OCC=O)C 31a313637e6916e898e22039ae14635d [0,3,0,0,0,0|0,0,0]=3 4700 B12R1.384 C=CCOC1CCCCC1(C)C b9d2d5531ed1d728728cda5c5340e121 [0,3,0,0,0,0|1,0,0]=4 4701 B12R1.384 C=CCOC1CCCCC1(F)F 7b630422aeda04222e501c30daf8acf1 [0,3,0,0,0,0|1,0,0]=4 4702 B12R1.384 CC1(CCCCC1NCC=O)C 2ea79287c09a18cffb57cf8689ef24ec [0,3,0,0,0,0|1,0,0]=4 4703 B12R1.384 CC1(CCCCC1NCC=O)O ea6966e415b8da7cc68a99e140d6b6ab [0,3,0,0,0,0|1,0,0]=4 4704 B12R1.384 CC1(CCCCC1OCC=O)C 5e65703a69d14141a611ff9cb3f8d1f3 [0,3,0,0,0,0|0,0,0]=3 4705 B12R1.384 CC1(COCCC1OCC=O)C 7f170d5351516dc7612a449fce91cc0c [0,3,0,0,0,0|1,0,0]=4 4706 B12R1.384 O=CCNC1CCCCC1(F)F 83efbbc505681f8203dbde3284b68e21 [0,3,0,0,0,0|1,0,0]=4 4707 B12R1.384 O=CCOC1CCCCC1(F)F 58d7b847a6db93516f4a4e4cb68a4a8f [0,3,0,0,0,0|0,0,0]=3 4708 B12R1.1631 C=CCOC1C(CCCC1C)C 42adaa0bbd34070de67d46e53dd152e9 [0,3,0,0,0,0|1,0,0]=4 4709 B12R1.1631 CC1CCCC(C1OCC=O)C 319cd18b05f180933128c83748ca7e9c [0,3,0,0,0,0|0,0,0]=3 4710 B12R1.1631 O=CCN[C@H]1[C@@H](CCC[C@@H]1O)O fb677d5eefa354e0f4f23cfaaa1c5a0b [0,3,0,0,0,0|1,0,0]=4 4711 B12R1.75 CC(=O)NC1CCCCC1C#N 6cd6cf53c2fab9321b7172f7ccf98c6d [0,3,0,0,0,0|1,0,0]=4 4712 B12R1.75 CC(=O)N[C@@H]1CCCC[C@@H]1CO 8f9e50721c33c6dad55c3f59dec521f5 [0,3,0,0,0,0|1,0,0]=4 4713 B12R1.75 CC(=O)N[C@@H]1CCCC[C@H]1CO d69e950a06bc333a887a9e38e9c7470f [0,3,0,0,0,0|1,0,0]=4 4714 B12R1.75 CC(=O)N[C@H]1CCCC[C@H]1C#N a63ddfc86a07eccb4505a589cbb4a1de [0,3,0,0,0,0|1,0,0]=4 4715 B12R1.75 CC(=O)N[C@H]1CCCC[C@H]1CO 75bd8c242b4a173030c4f053278681fd [0,3,0,0,0,0|1,0,0]=4 4716 B12R1.75 COC1CCCCC1NC(=O)C dc1c8dae94301addfb335bd3da95b6ec [0,3,0,0,0,0|1,0,0]=4 4717 B12R1.75 CO[C@H]1CCCC[C@@H]1NC(=O)C e667fce05527adb17a821d74d4534c25 [0,3,0,0,0,0|1,0,0]=4 4718 B12R1.283 CN(C)C1CCCCC1NC=O 9cc88850bfb675199421e95e9eec44c4 [0,3,0,0,0,0|1,0,0]=4 4719 B12R1.283 CN(C)[C@@H]1CCCC[C@H]1NC=O f947695c135436305d06292257abb917 [0,3,0,0,0,0|1,0,0]=4 4720 B12R1.283 CN(C)[C@H]1CCCC[C@@H]1NC=O af5b77e1d3b1f3a096919255a66d3da4 [0,3,0,0,0,0|1,0,0]=4 4721 B12R1.283 NC(=O)[C@@H]1CCCC[C@@H]1NC=O 4d1f244f79a46a03269068fd4b95e3b1 [0,3,0,0,0,0|1,0,0]=4 4722 B12R1.283 NC(=O)[C@@H]1CCCC[C@H]1NC=O b2ecee6a194dd0417fd472dbaa4a7a53 [0,3,0,0,0,0|1,0,0]=4 4723 B12R1.283 NC(=O)[C@H]1CCCC[C@@H]1NC=O c5f3c3a0c49885282b6c541d34a286a0 [0,3,0,0,0,0|1,0,0]=4 4724 B12R1.283 NC(=O)[C@H]1CCCC[C@H]1NC=O 34d0317427f82f7e20f4916e8067cfd9 [0,3,0,0,0,0|1,0,0]=4 4725 B12R1.124 CC(=O)N(C)[C@@H]1CCCC[C@H]1O 46576d7519d5bde3587a835803f89490 [0,3,0,0,0,0|1,0,0]=4 4726 B12R1.124 CC(=O)N(C)[C@H]1CCCC[C@@H]1O 3d1a7ffd56b479eda71b6e57f822d019 [0,3,0,0,0,0|1,0,0]=4 4727 B12R1.124 CC(=O)N(C)[C@H]1CCCC[C@H]1O 7b9ba507700c766f1909599db6ecb4f7 [0,3,0,0,0,0|1,0,0]=4 4728 B12R1.391 CC(=O)NC1CCCCC1(C)C 3f1c817e0e376833f0af485dd8512d87 [0,3,0,0,0,0|1,0,0]=4 4729 B12R1.391 CC(=O)NC1CCCCC1(C)O 7affff00df26e05c93e22bd7e0f65c35 [0,3,0,0,0,0|1,0,0]=4 4730 B12R1.391 CC(=O)NC1CCCCC1(F)F bf9deecf9f56dfe88825446b2ab972d3 [0,3,0,0,0,0|1,0,0]=4 4731 B12R1.1009 CC(=O)N[C@H]1[C@@H](CCC[C@@H]1O)O 17c3d5134a8378688a95316fb12346b1 [0,3,0,0,0,0|1,0,0]=4 4732 B12R1.243 CCN(C=O)[C@@H]1CCCC[C@H]1O 86f06be5b584beb13c07edc48a778616 [0,3,0,0,0,0|1,0,0]=4 4733 B12R1.17 CN(CC=O)C1CCCC(C1)O 854091856fc80866b6958e070d183fa2 [0,3,0,0,0,0|1,0,0]=4 4734 B12R1.17 CN(CC=O)[C@@H]1CCC[C@H](C1)O 92edfbee29c3b6209735d801b9378f87 [0,3,0,0,0,0|1,0,0]=4 4735 B12R1.17 CN(CC=O)[C@H]1CCC[C@@H](C1)O 153a7b8698a81793d5c3e6ac182ca3d5 [0,3,0,0,0,0|1,0,0]=4 4736 B12R1.225 CC(=O)N(C)C1CCCC(C1)O 706a2c84700f98e62f5f087c82806b56 [0,3,0,0,0,0|1,0,0]=4 4737 B12R1.225 CC(=O)N(C)[C@@H]1CCC[C@H](C1)O 55c05dc251f4e4da56cf1ec4245f87a3 [0,3,0,0,0,0|1,0,0]=4 4738 B12R1.225 CC(=O)N(C)[C@H]1CCC[C@@H](C1)O d22bf9763aceb021ba68d571036fc99d [0,3,0,0,0,0|1,0,0]=4 4739 B12R1.435 COC1CCCC(C1)N(C)C=O ac429cb2898806192b4fad5474f3416a [0,3,0,0,0,0|1,0,0]=4 4740 B12R1.1707 CN(C=O)C1CCCC(C1)(F)F e1ffe379434821d421d8b1ba412bf28c [0,3,0,0,0,0|1,0,0]=4 4741 B12R1.28 C/C=C/COC1CCCC(C1)C bd3a1fae71516fdfbab1bb66309a7d4b [0,3,0,0,0,0|1,0,0]=4 4742 B12R1.28 C/C=C/CO[C@@H]1CCC[C@@H](C1)C f367a9e047b6b4698f9a1a28d24411a6 [0,3,0,0,0,0|1,0,0]=4 4743 B12R1.28 C/C=C/CO[C@H]1CCC[C@@H](C1)C 7e2cb5c373e997afe9f6ca577ef57f9a [0,3,0,0,0,0|1,0,0]=4 4744 B12R1.28 C/C=C/CO[C@H]1CCC[C@H](C1)C a3069afa3d1b2a52c9f1f09eaa279b8e [0,3,0,0,0,0|1,0,0]=4 4745 B12R1.28 C/C=C\COC1CCCC(C1)C 173f93c5846f61310b4f6e4d571e02c1 [0,3,0,0,0,0|1,0,0]=4 4746 B12R1.28 C/C=C\CO[C@@H]1CCC[C@@H](C1)C c4b55b9d1b433abba2d9a8e49d48c1f1 [0,3,0,0,0,0|1,0,0]=4 4747 B12R1.28 C/C=C\CO[C@H]1CCC[C@@H](C1)C a64f1679b2841ea7a78d525b47a6884a [0,3,0,0,0,0|1,0,0]=4 4748 B12R1.28 C/C=C\CO[C@H]1CCC[C@H](C1)C 37a45d5056e0d011f8f466f64e0086a4 [0,3,0,0,0,0|1,0,0]=4 4749 B12R1.28 C=CCCOC1CCCC(C1)C d20f90e5d0d6864ce5b97759184b356b [0,3,0,0,0,0|1,0,0]=4 4750 B12R1.28 C=CCCO[C@@H]1CCC[C@@H](C1)C bc7d8f0fc613c8dfd72ce1e0b75f15fb [0,3,0,0,0,0|1,0,0]=4 4751 B12R1.28 C=CCCO[C@H]1CCC[C@@H](C1)C 65f43e18a49020743b92a2073b1cb924 [0,3,0,0,0,0|1,0,0]=4 4752 B12R1.28 C=CCCO[C@H]1CCC[C@H](C1)C 38b933bcfd900095554f8d642e6fdcab [0,3,0,0,0,0|1,0,0]=4 4753 B12R1.28 C=CCOCC1CCCC(C1)C 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[0,3,0,0,0,0|1,0,0]=4 4775 B12R1.28 C[C@H]1CCC[C@@H](C1)OCCC=O c6f8d55859a95ed7dfbe5d66cc6c3d98 [0,3,0,0,0,0|0,0,0]=3 4776 B12R1.28 C[C@H]1CCC[C@H](C1)OC/C=C/Cl dc8d2a3dd137395fea395e844984fb76 [0,3,0,0,0,0|1,0,0]=4 4777 B12R1.28 C[C@H]1CCC[C@H](C1)OC/C=C\Cl c0a9bf35c3d7d18346db60435ec99375 [0,3,0,0,0,0|1,0,0]=4 4778 B12R1.28 C[C@H]1CCC[C@H](C1)OCCC=O 47a2595f569f3be0f717ee713900660b [0,3,0,0,0,0|0,0,0]=3 4779 B12R1.28 C[C@H]1C[C@@H](CCO1)OCCC=O abfb5270501077eaab2ec74f4470ffaf [0,3,0,0,0,0|1,0,0]=4 4780 B12R1.28 C[C@H]1C[C@H](CCO1)OCCC=O c6ad1b46c8a7f9535c22212ec85a4d11 [0,3,0,0,0,0|1,0,0]=4 4781 B12R1.28 O=CCCNC1CCCC(C1)O 5437faee92481a51de08b1129d4a1657 [0,3,0,0,0,0|1,0,0]=4 4782 B12R1.28 O=CCCN[C@@H]1CCC[C@@H](C1)O c4a5afb48f4be427ec434a6d04ac6d37 [0,3,0,0,0,0|1,0,0]=4 4783 B12R1.28 O=CCCN[C@@H]1CCC[C@H](C1)O 51da8828f15b9f0e8085f5a7ef57163d [0,3,0,0,0,0|1,0,0]=4 4784 B12R1.28 O=CCCN[C@H]1CCC[C@@H](C1)O 21944898cfb07789509cdf0caa311e44 [0,3,0,0,0,0|1,0,0]=4 4785 B12R1.28 O=CCCN[C@H]1CCC[C@H](C1)O c5edcf8bdaf817f268baefa3b4e119be [0,3,0,0,0,0|1,0,0]=4 4786 B12R1.28 O=CCCOC1CCCC(=O)C1 6a7498cf1aaebed2ed7283e004833db9 [0,3,0,0,0,0|0,0,1]=4 4787 B12R1.28 O=CCNCC1CCCC(C1)O 812ecf9f6bee537b1b73c4a782a3098d [0,3,0,0,0,0|1,0,0]=4 4788 B12R1.28 O=CCNC[C@H]1CCC[C@H](C1)O 74cf77e33f18da5509a12e8daa76d5ba [0,3,0,0,0,0|1,0,0]=4 4789 B12R1.28 O=CCOCC1CCCC(=O)C1 a988bc877cd0124fb8027a9814750204 [0,3,0,0,0,0|0,0,1]=4 4790 B12R1.50 C#CC(=O)NC1CCCC(C1)C 72a41dae47bf24590995e4854ced1e47 [0,3,0,0,0,0|1,0,0]=4 4791 B12R1.50 C#CC(=O)NC1CCCC(C1)O fec36c8d05c57b7f317f612238fcbf76 [0,3,0,0,0,0|1,0,0]=4 4792 B12R1.50 C#CC(=O)N[C@@H]1CCC[C@@H](C1)O f2a3f9e3048431bd7ff664b4235b8a9c [0,3,0,0,0,0|1,0,0]=4 4793 B12R1.50 C#CC(=O)N[C@@H]1CCC[C@H](C1)C 6fd709ccfce23f49ae8b540d15d72cee [0,3,0,0,0,0|1,0,0]=4 4794 B12R1.50 C#CC(=O)N[C@@H]1CCC[C@H](C1)O 660c99d9b7d36372a379a3399d7cf306 [0,3,0,0,0,0|1,0,0]=4 4795 B12R1.50 C#CC(=O)N[C@H]1CCC[C@@H](C1)O 61de16a3e12e6aff2192a677a7c4b2a1 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C=CC(=O)N[C@H]1CCC[C@H](C1)O 413cb8a4a3edc46b551e49dc5e114226 [0,3,0,0,0,0|1,0,0]=4 4807 B12R1.50 C=CC(C)OC1CCCC(C1)C fc9af8b90cbfbaa0e7351b89b6b62e93 [0,3,0,0,0,0|1,0,0]=4 4808 B12R1.50 C=CC(C)O[C@@H]1CCC[C@@H](C1)C 9628bbb53d38da43e28367fbc4fba195 [0,3,0,0,0,0|1,0,0]=4 4809 B12R1.50 C=CC(C)O[C@H]1CCC[C@@H](C1)C e617784f2b7ddae594eefd59238abf50 [0,3,0,0,0,0|1,0,0]=4 4810 B12R1.50 C=CC(C)O[C@H]1CCC[C@H](C1)C 3cd80fe3ae7e7f1c690c9a258f806965 [0,3,0,0,0,0|1,0,0]=4 4811 B12R1.50 CC(C=O)NC1CCCC(C1)O d625dda8c42a92ff99628a12f48f2c32 [0,3,0,0,0,0|1,0,0]=4 4812 B12R1.50 CC(C=O)N[C@@H]1CCC[C@@H](C1)O dd6bed2a6119971510699b29bd620f42 [0,3,0,0,0,0|1,0,0]=4 4813 B12R1.50 CC(C=O)N[C@@H]1CCC[C@H](C1)C 5ad182bfb59077d765228997c1d67171 [0,3,0,0,0,0|1,0,0]=4 4814 B12R1.50 CC(C=O)N[C@@H]1CCC[C@H](C1)O 70b32dea158d17e8cc0f7c18960d5ee9 [0,3,0,0,0,0|1,0,0]=4 4815 B12R1.50 CC(C=O)N[C@H]1CCC[C@@H](C1)O 81bd0e3027e117139f80a9a6d54772b8 [0,3,0,0,0,0|1,0,0]=4 4816 B12R1.50 CC(C=O)N[C@H]1CCC[C@H](C1)O 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[0,3,0,0,0,0|1,0,0]=4 4848 B12R1.50 C[C@H](C=O)N[C@@H]1CCC[C@@H](C1)O 38dcd847b818c0bf2b8b84247a0acdb2 [0,3,0,0,0,0|1,0,0]=4 4849 B12R1.50 C[C@H](C=O)N[C@@H]1CCC[C@H](C1)O 73949407a1f98faa28e70e74f0421c9d [0,3,0,0,0,0|1,0,0]=4 4850 B12R1.50 C[C@H](C=O)N[C@H]1CCC[C@@H](C1)O 5af558bd13bec2930259a1b0159d1a12 [0,3,0,0,0,0|1,0,0]=4 4851 B12R1.50 C[C@H](C=O)N[C@H]1CCC[C@H](C1)O 6640149908424ca0cad0e279a83349a9 [0,3,0,0,0,0|1,0,0]=4 4852 B12R1.50 C[C@H](C=O)OC1CCCC(=O)C1 9e7185d39d572b95b5de8030f8c928fc [0,3,0,0,0,0|0,0,1]=4 4853 B12R1.50 C[C@H](C=O)OC1CCCN(C1)C 1610ccb0b9747fb2efbcf75448d39a06 [0,3,0,0,0,0|1,0,0]=4 4854 B12R1.50 C[C@H](C=O)O[C@@H]1CCCN(C1)C 84317b9c9a1b88570f0062d73945782f [0,3,0,0,0,0|1,0,0]=4 4855 B12R1.50 C[C@H](C=O)O[C@@H]1CCO[C@@H](C1)C 06d6e983cb56f01c4e347c0859d94bd0 [0,3,0,0,0,0|1,0,0]=4 4856 B12R1.50 C[C@H](C=O)O[C@@H]1CCO[C@H](C1)C 78d2239f74d46da9d042bb68d4fc8e69 [0,3,0,0,0,0|1,0,0]=4 4857 B12R1.50 C[C@H](C=O)O[C@H]1CCCN(C1)C 79a68b9d650ff0aec9dfa79420b97dad [0,3,0,0,0,0|1,0,0]=4 4858 B12R1.50 C[C@H](C=O)O[C@H]1CCO[C@@H](C1)C f1cb2da01a953aab71ed8f9da606d70d [0,3,0,0,0,0|1,0,0]=4 4859 B12R1.50 C[C@H](C=O)O[C@H]1CCO[C@H](C1)C d24c64f467dd2a42b13d9c1c1b5cc65f [0,3,0,0,0,0|1,0,0]=4 4860 B12R1.50 C[C@H]1CCC[C@@H](C1)O[C@H](C)C=O 684cb1f37c54a92d822bcbe55e21ea2a [0,3,0,0,0,0|0,0,0]=3 4861 B12R1.50 C[C@H]1CCC[C@H](C1)O[C@H](C)C=O 7a0c964cd239ee9e64f5efb075727b91 [0,3,0,0,0,0|0,0,0]=3 4862 B12R1.50 O=C(CF)NC1CCCC(C1)O 98ad5d879c7148c009e4df9211cf9c26 [0,3,0,0,0,0|1,0,0]=4 4863 B12R1.50 O=C(CF)N[C@@H]1CCC[C@@H](C1)O 1f5503a7dfe7c323d6eba3a476f37740 [0,3,0,0,0,0|1,0,0]=4 4864 B12R1.50 O=C(CF)N[C@@H]1CCC[C@H](C1)O 3ebe1d2821b42ea1ba994fd8b913a7e3 [0,3,0,0,0,0|1,0,0]=4 4865 B12R1.50 O=C(CF)N[C@H]1CCC[C@@H](C1)O d684bc7be4d9224792fb5fbaff53259a [0,3,0,0,0,0|1,0,0]=4 4866 B12R1.50 O=C(CF)N[C@H]1CCC[C@H](C1)O 84c899d2bae7b6def08f280c4ed711f7 [0,3,0,0,0,0|1,0,0]=4 4867 B12R1.50 O=C(CO)NC1CCCC(C1)O fec94dd7d4d3cfa1c7ca62f546e6919f [0,3,0,0,0,0|1,0,0]=4 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C=CCO[C@@H]1C[C@@H](C[C@@H](C1)C)C 35b670e2a701602756647505792f1fbc [0,3,0,0,0,0|1,0,0]=4 4879 B12R1.100 CC1CC(CC(C1)OCC=O)C 41253026b3dc5921fe2f1310b80e3443 [0,3,0,0,0,0|0,0,0]=3 4880 B12R1.100 CC1CC(CC(O1)C)OCC=O dce7da4d7fc72bb44fc0575476adc435 [0,3,0,0,0,0|1,0,0]=4 4881 B12R1.100 C[C@@H]1CC(C[C@@H](O1)C)OCC=O 02b5fc88ec67f4f2d70f423e0d38903e [0,3,0,0,0,0|1,0,0]=4 4882 B12R1.100 C[C@@H]1C[C@@H](C[C@@H](C1)OCC=O)C cd59d715064ff96f8c94df0bd0f2b861 [0,3,0,0,0,0|0,0,0]=3 4883 B12R1.100 C[C@@H]1C[C@@H](C[C@@H](O1)C)OCC=O 727909cae25a8448080e66085865e05e [0,3,0,0,0,0|1,0,0]=4 4884 B12R1.100 C[C@@H]1C[C@H](C[C@@H](O1)C)OCC=O fbc93e2956d879477915a7119db3df4d [0,3,0,0,0,0|1,0,0]=4 4885 B12R1.226 C=C(Br)COC1CCCC(C1)C 938ec34cd57ce44d9a3ca45181462cf8 [0,3,0,0,0,0|1,0,0]=4 4886 B12R1.226 C=C(Br)CO[C@@H]1CCC[C@@H](C1)C 23bba7ad72ca4830eb2e4f674be1ad4a [0,3,0,0,0,0|1,0,0]=4 4887 B12R1.226 C=C(Br)CO[C@H]1CCC[C@@H](C1)C 7d6119782e354604760f76f661965513 [0,3,0,0,0,0|1,0,0]=4 4888 B12R1.226 C=C(Br)CO[C@H]1CCC[C@H](C1)C 0e30a30a50c785db1f904b83281859fc [0,3,0,0,0,0|1,0,0]=4 4889 B12R1.226 C=C(C)COC1CCCC(C1)C 4e72029671b05c9b13bd815b985a4cad [0,3,0,0,0,0|1,0,0]=4 4890 B12R1.226 C=C(C)CO[C@@H]1CCC[C@@H](C1)C 4039cff3b9bbd893aafd7fa23986f619 [0,3,0,0,0,0|1,0,0]=4 4891 B12R1.226 C=C(C)CO[C@H]1CCC[C@@H](C1)C 347d7b43994a818a459bc2c789e59a3f [0,3,0,0,0,0|1,0,0]=4 4892 B12R1.226 C=C(C)CO[C@H]1CCC[C@H](C1)C eb3bc94797de28abbf864b93cd03c6e6 [0,3,0,0,0,0|1,0,0]=4 4893 B12R1.226 C=C(Cl)COC1CCCC(C1)C 50d08965c9d4dcc1be4fb1400e5b7da7 [0,3,0,0,0,0|1,0,0]=4 4894 B12R1.226 C=C(Cl)CO[C@@H]1CCC[C@@H](C1)C 8263f853d45e185de18954759fb28d69 [0,3,0,0,0,0|1,0,0]=4 4895 B12R1.226 C=C(Cl)CO[C@H]1CCC[C@@H](C1)C 94490a6b9743321229c58e6587701b48 [0,3,0,0,0,0|1,0,0]=4 4896 B12R1.226 C=C(Cl)CO[C@H]1CCC[C@H](C1)C 9831966916c0dbeab24fd844dfbf1a2d [0,3,0,0,0,0|1,0,0]=4 4897 B12R1.226 C=C(F)COC1CCCC(C1)C dad1160cf73446da125c5f2769740678 [0,3,0,0,0,0|1,0,0]=4 4898 B12R1.226 C=C(F)CO[C@@H]1CCC[C@@H](C1)C 2e8181eda68da509601e0c62e6cf4658 [0,3,0,0,0,0|1,0,0]=4 4899 B12R1.226 C=C(F)CO[C@H]1CCC[C@@H](C1)C 4cb75fb5b23058a986035a1e317d43c5 [0,3,0,0,0,0|1,0,0]=4 4900 B12R1.226 C=C(F)CO[C@H]1CCC[C@H](C1)C a39e7a6282e1698fc9d0989f4d044f6f [0,3,0,0,0,0|1,0,0]=4 4901 B12R1.226 CC(=O)COC1CCCC(=O)C1 f091092046b027bb08f66635c3aee824 [0,3,0,0,0,0|0,0,1]=4 4902 B12R1.226 CC(=O)NCC1CCCC(C1)C ef2fdfb6c994ea32fc4896b8c1906736 [0,3,0,0,0,0|1,0,0]=4 4903 B12R1.226 CC(=O)NCC1CCCC(C1)O 6ae82035507412a8ca882d2dbd6613e3 [0,3,0,0,0,0|1,0,0]=4 4904 B12R1.226 CC(=O)NC[C@H]1CCC[C@H](C1)O ac208c90e90fe149fac5f3d55b281b16 [0,3,0,0,0,0|1,0,0]=4 4905 B12R1.226 CC(=O)OCN1CCCC(C1)C 5f421c66566888c995ea744c1768a9b8 [0,3,0,0,0,0|1,0,0]=4 4906 B12R1.226 CC(=O)OCN1CCCC(C1)F a915362a5333475c67e35da38f909bca [0,3,0,0,0,0|1,0,0]=4 4907 B12R1.226 CC(=O)OCN1CCCC(C1)O 4463283d2329dc707bb2c7478de1001c [0,3,0,0,0,0|1,0,0]=4 4908 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)C 4baf6e270cbe08a9075b1d595fbc87af [0,3,0,0,0,0|1,0,0]=4 4909 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)F f492efffb37adca51d9b8a2a01b0a494 [0,3,0,0,0,0|1,0,0]=4 4910 B12R1.226 CC(=O)OCN1CCC[C@@H](C1)O 9ab0d53bdf60aa19a4ea49497220c223 [0,3,0,0,0,0|1,0,0]=4 4911 B12R1.226 CC(=O)OCN1CCC[C@H](C1)C 005d9c24dd22165c88b4ce3bfa8d8a18 [0,3,0,0,0,0|1,0,0]=4 4912 B12R1.226 CC(=O)OCN1CCC[C@H](C1)F da5f55fe76c88df60b81e0640c5cc866 [0,3,0,0,0,0|1,0,0]=4 4913 B12R1.226 CC(=O)OCN1CCC[C@H](C1)O 9286dbf500f98a20bc9110399731fdda [0,3,0,0,0,0|1,0,0]=4 4914 B12R1.226 CC1CC(CCO1)OCC(=O)N 4888c9d0a26256fa4878e31360a0bb74 [0,3,0,0,0,0|1,0,0]=4 4915 B12R1.226 CC1CC(CCO1)OCC(=O)O 81d210c8726951d3d87b2e6e0512f679 [0,3,0,0,0,0|1,0,0]=4 4916 B12R1.226 CC1CCCC(C1)NCC(=O)N ecaf8dba707a492afeb2d3db693e1ec8 [0,3,0,0,0,0|1,0,0]=4 4917 B12R1.226 CC1CCCC(C1)NCC(=O)O 1c792ba7b7de65e56a686fd6f4c2b1ec [0,3,0,0,0,0|1,0,0]=4 4918 B12R1.226 CC1CCCC(C1)OCC(=O)N 6aa5a973d3c13094f3a4d975e974180b [0,3,0,0,0,0|0,0,0]=3 4919 B12R1.226 CC1CCCC(C1)OCC(=O)O 6bf3f1d84632a42767dccabf803748c4 [0,3,0,0,0,0|0,0,0]=3 4920 B12R1.226 CC1CCCC(C1)OC[N+](=O)[O-] bd999f60958b8dde9978602ea8ecfd65 [0,3,0,0,0,0|0,0,1]=4 4921 B12R1.226 CN1CCCC(C1)OCC(=O)N d444faf43a8b1689eeec4c0b5a3a7519 [0,3,0,0,0,0|1,0,0]=4 4922 B12R1.226 CN1CCCC(C1)OCC(=O)O 5feda3f1aed8e0beb8efaf7eea69da87 [0,3,0,0,0,0|1,0,0]=4 4923 B12R1.226 CN1CCC[C@@H](C1)OCC(=O)N 9377998e8d92b31d7648c3914358e7b6 [0,3,0,0,0,0|1,0,0]=4 4924 B12R1.226 CN1CCC[C@@H](C1)OCC(=O)O a849529d85ebb913b31c8cd6b66dc970 [0,3,0,0,0,0|1,0,0]=4 4925 B12R1.226 CN1CCC[C@H](C1)OCC(=O)N aac570389610b451a0ee8b1c45d469db [0,3,0,0,0,0|1,0,0]=4 4926 B12R1.226 CN1CCC[C@H](C1)OCC(=O)O 2ade793ba636946761936dbfd3b9851b [0,3,0,0,0,0|1,0,0]=4 4927 B12R1.226 C[C@@H]1CCC[C@@H](C1)OCC(=O)N 4a4417b2d4e88e6d9b6d5fe117ada8c2 [0,3,0,0,0,0|0,0,0]=3 4928 B12R1.226 C[C@@H]1CCC[C@@H](C1)OCC(=O)O e50159207824798aa7de9d8e14d80a2c [0,3,0,0,0,0|0,0,0]=3 4929 B12R1.226 C[C@@H]1CCC[C@@H](C1)OC[N+](=O)[O-] 97293efbec1aadd664fbfdd7960df2ac [0,3,0,0,0,0|0,0,1]=4 4930 B12R1.226 C[C@@H]1CCC[C@H](C1)NCC(=O)N dea38369621d260c09dc3e4d5582c734 [0,3,0,0,0,0|1,0,0]=4 4931 B12R1.226 C[C@@H]1CCC[C@H](C1)NCC(=O)O 88e31dbe9e217985796eda70d6d4a4ad [0,3,0,0,0,0|1,0,0]=4 4932 B12R1.226 C[C@@H]1C[C@@H](CCO1)OCC(=O)N cb5750947d3815512b9b30dc2994d781 [0,3,0,0,0,0|1,0,0]=4 4933 B12R1.226 C[C@@H]1C[C@@H](CCO1)OCC(=O)O d9d41b5905b0b36ad0949f848daf45da [0,3,0,0,0,0|1,0,0]=4 4934 B12R1.226 C[C@@H]1C[C@H](CCO1)OCC(=O)N 1c8912064410da0ab50ee9fd2aee658c [0,3,0,0,0,0|1,0,0]=4 4935 B12R1.226 C[C@@H]1C[C@H](CCO1)OCC(=O)O 6c6feb7659a120ce66ee5c4c5ae05514 [0,3,0,0,0,0|1,0,0]=4 4936 B12R1.226 C[C@H]1CCC[C@@H](C1)OCC(=O)N d7c7ee57fd1d3cd4246b580e1fd48395 [0,3,0,0,0,0|0,0,0]=3 4937 B12R1.226 C[C@H]1CCC[C@@H](C1)OCC(=O)O 46783fcebbe7bcb0b57452f3b52f8cf0 [0,3,0,0,0,0|0,0,0]=3 4938 B12R1.226 C[C@H]1CCC[C@@H](C1)OC[N+](=O)[O-] ae1b7f6669f1a677ff26d810ddb92142 [0,3,0,0,0,0|0,0,1]=4 4939 B12R1.226 C[C@H]1CCC[C@H](C1)OCC(=O)N 7fbaaf82c65d03d5e5755ce34a211127 [0,3,0,0,0,0|0,0,0]=3 4940 B12R1.226 C[C@H]1CCC[C@H](C1)OCC(=O)O ab0f3349d05e189084f16d588b192aaf [0,3,0,0,0,0|0,0,0]=3 4941 B12R1.226 C[C@H]1CCC[C@H](C1)OC[N+](=O)[O-] 5798f64cba24c859ae2ef4e783b081e7 [0,3,0,0,0,0|0,0,1]=4 4942 B12R1.226 C[C@H]1C[C@@H](CCO1)OCC(=O)N 7ea9f36ba7ec9906b51a816b2382310a [0,3,0,0,0,0|1,0,0]=4 4943 B12R1.226 C[C@H]1C[C@@H](CCO1)OCC(=O)O 343cefe5763f78ae132b9fcb0cb83835 [0,3,0,0,0,0|1,0,0]=4 4944 B12R1.226 C[C@H]1C[C@H](CCO1)OCC(=O)N a0fdf2c67e3b56fe3e123a7acc3407c4 [0,3,0,0,0,0|1,0,0]=4 4945 B12R1.226 C[C@H]1C[C@H](CCO1)OCC(=O)O 20370ec1c36d4a32603770c4b8030cf9 [0,3,0,0,0,0|1,0,0]=4 4946 B12R1.226 NC(=O)CNC1CCCC(C1)O be2ca4ca42ad516b8f620918f9af11f2 [0,3,0,0,0,0|1,0,0]=4 4947 B12R1.226 NC(=O)CN[C@@H]1CCC[C@@H](C1)O 638a0fd7b402aee4b9491d1a1442fc3e [0,3,0,0,0,0|1,0,0]=4 4948 B12R1.226 NC(=O)CN[C@@H]1CCC[C@H](C1)O 66aecaa9834de6ecce583731083ebc01 [0,3,0,0,0,0|1,0,0]=4 4949 B12R1.226 NC(=O)CN[C@H]1CCC[C@@H](C1)O 3f9aa5ffa8b80a3c94360dd0864ac278 [0,3,0,0,0,0|1,0,0]=4 4950 B12R1.226 NC(=O)CN[C@H]1CCC[C@H](C1)O 97ec1f45d50b3d319b1793c20b46d70b [0,3,0,0,0,0|1,0,0]=4 4951 B12R1.226 NC(=O)COC1CCCC(=O)C1 f6089152ff12b4829cc51bd4a943cbb9 [0,3,0,0,0,0|0,0,1]=4 4952 B12R1.226 O=C(O)CNC1CCCC(C1)O 8b68d04e1138b457617ea28ce96c507b [0,3,0,0,0,0|1,0,0]=4 4953 B12R1.226 O=C(O)CN[C@@H]1CCC[C@@H](C1)O 51c9204532b87fbe79c1a6ca3e56467d [0,3,0,0,0,0|1,0,0]=4 4954 B12R1.226 O=C(O)CN[C@@H]1CCC[C@H](C1)O 1755d0a36b460e0aaa78f304547e4277 [0,3,0,0,0,0|1,0,0]=4 4955 B12R1.226 O=C(O)CN[C@H]1CCC[C@@H](C1)O 0bca0c31f1b5f60a0e89cf71ef34fad9 [0,3,0,0,0,0|1,0,0]=4 4956 B12R1.226 O=C(O)CN[C@H]1CCC[C@H](C1)O c865372a4279999267d8cb24536d2b5e [0,3,0,0,0,0|1,0,0]=4 4957 B12R1.226 O=C(O)COC1CCCC(=O)C1 e69b0780c375660056f64524976fdd75 [0,3,0,0,0,0|0,0,1]=4 4958 B12R1.382 C=CCOC1CCCC(C1)CC 58be460646c4115fe19cadf81e55b923 [0,3,0,0,0,0|1,0,0]=4 4959 B12R1.382 C=CCOC1CCCC(C1)OC 463cf805bde7191f098b2e0e7b08e1cd [0,3,0,0,0,0|1,0,0]=4 4960 B12R1.382 C=CCO[C@H]1CCC[C@@H](C1)OC 82dc8b8b5bf7ca040b561b88c4f13276 [0,3,0,0,0,0|1,0,0]=4 4961 B12R1.382 C=CCO[C@H]1CCC[C@H](C1)OC 7524d2b28d92d2ef0954fdc5d9223e26 [0,3,0,0,0,0|1,0,0]=4 4962 B12R1.382 CCC1CCCC(C1)OCC=O 98465a06ac7d5b9abab353a485231946 [0,3,0,0,0,0|0,0,0]=3 4963 B12R1.382 CCN1CCCC(C1)OCC=O 014a2f55bc6cf33877b147420321641e [0,3,0,0,0,0|1,0,0]=4 4964 B12R1.382 COC1CCCC(C1)NCC=O f9d9a7a388a5d38ea3482a60c341e817 [0,3,0,0,0,0|1,0,0]=4 4965 B12R1.382 COC1CCCC(C1)OCC=O 7de3c4395bb36f692b305cdd09bb24cf [0,3,0,0,0,0|0,0,0]=3 4966 B12R1.382 CO[C@@H]1CCC[C@@H](C1)NCC=O c61d67d948a0bf9e0f476e334a860d26 [0,3,0,0,0,0|1,0,0]=4 4967 B12R1.382 CO[C@@H]1CCC[C@@H](C1)OCC=O 9f9b54805e3daa8d32d2fff20377f903 [0,3,0,0,0,0|0,0,0]=3 4968 B12R1.382 CO[C@@H]1CCC[C@H](C1)NCC=O d240a838fc00603f139baaeff679e7c9 [0,3,0,0,0,0|1,0,0]=4 4969 B12R1.382 CO[C@H]1CCC[C@@H](C1)NCC=O 305fa1a0d30ed0c6abca058f2818f68d [0,3,0,0,0,0|1,0,0]=4 4970 B12R1.382 CO[C@H]1CCC[C@@H](C1)OCC=O 9bcf51676ce659c467f8acbc3ce69a86 [0,3,0,0,0,0|0,0,0]=3 4971 B12R1.382 CO[C@H]1CCC[C@H](C1)NCC=O 02f261822ed7c9f8bf8a7f0270e61396 [0,3,0,0,0,0|1,0,0]=4 4972 B12R1.382 O=CCNC1CCCC(C1)CO 05b0f62456203df8175e0561fa2f243a [0,3,0,0,0,0|1,0,0]=4 4973 B12R1.382 O=CCN[C@@H]1CCC[C@@H](C1)CO 7665e2f8acf432e63bfa5afde7bec70e [0,3,0,0,0,0|1,0,0]=4 4974 B12R1.382 O=CCN[C@@H]1CCC[C@H](C1)CO ace0e2e9321343e402337af015d418c3 [0,3,0,0,0,0|1,0,0]=4 4975 B12R1.382 O=CCN[C@H]1CCC[C@@H](C1)CO 272e1f997dc4f779d9d4e6c91f0c9fe3 [0,3,0,0,0,0|1,0,0]=4 4976 B12R1.382 O=CCN[C@H]1CCC[C@H](C1)CO 4213d9e22e55da6f2e29b9d9f3786d9e [0,3,0,0,0,0|1,0,0]=4 4977 B12R1.887 C=CCOC1CCCC(C1)(C)C 3b142ab7fc0a6125af9c359097410f22 [0,3,0,0,0,0|1,0,0]=4 4978 B12R1.887 CC1(CC(CCO1)OCC=O)C f24905cee6bb64fc8815b2789ef6a93e [0,3,0,0,0,0|1,0,0]=4 4979 B12R1.887 CC1(CCCC(C1)NCC=O)C 07f6167e106533d769b54c8f1500f585 [0,3,0,0,0,0|1,0,0]=4 4980 B12R1.887 CC1(CCCC(C1)NCC=O)O d02d24098e40b33e0cf079075aa12a2d [0,3,0,0,0,0|1,0,0]=4 4981 B12R1.887 CC1(CCCC(C1)OCC=O)C 71cb8c4cecc36579c1a585c0cf12846e [0,3,0,0,0,0|0,0,0]=3 4982 B12R1.887 CC1(CCC[C@@H](C1)NCC=O)C afdb21a8d5b7885b915232417912ebf7 [0,3,0,0,0,0|1,0,0]=4 4983 B12R1.887 CC1(CCC[C@H](C1)NCC=O)C 6bd7d5bc6ba76ed10beb5fb2c587e83b [0,3,0,0,0,0|1,0,0]=4 4984 B12R1.887 CC1(C[C@@H](CCO1)OCC=O)C bba54eff281d92d47b4e45c505593678 [0,3,0,0,0,0|1,0,0]=4 4985 B12R1.887 C[C@@]1(CCC[C@H](C1)NCC=O)O e78754834d633a4784d21947468f3cd8 [0,3,0,0,0,0|1,0,0]=4 4986 B12R1.887 C[C@]1(CCC[C@H](C1)NCC=O)O 4abc6d7061ba93bdc051f8b5687b235e [0,3,0,0,0,0|1,0,0]=4 4987 B12R1.887 O=CCNC1CCCC(C1)(F)F 6257c00c5e5514a639acc381d2f1bad2 [0,3,0,0,0,0|1,0,0]=4 4988 B12R1.887 O=CCOC1CCCS(=O)(=O)C1 72375e2146804721298bfeeadbae776f [0,3,0,0,0,0|1,0,0]=4 4989 B12R1.887 O=CNCC1CCCC(C1)(F)F d4e7f68ead330a6168999ed68cc504a1 [0,3,0,0,0,0|1,0,0]=4 4990 B12R1.2277 CC1CCCC(C1)(O)CNC=O 597242713ce1f416d2067ca9271badd6 [0,3,0,0,0,0|1,0,0]=4 4991 B12R1.42 CC1CC(CC(C1)(C)C)NC=O 2a04c945a6ee050cab3a6d5b08089f8c [0,3,0,0,0,0|1,0,0]=4 4992 B12R1.438 CC(=O)NC1CCCC(C1)CO 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b54be9ad4e57d1b478cbf51ec8d81d90 [0,3,0,0,0,0|1,0,0]=4 5003 B12R1.1821 CC(=O)NC1CCCC(C1)(C)O 425dfd6aee67998132aacca4f7b346c7 [0,3,0,0,0,0|1,0,0]=4 5004 B12R1.1821 CC(=O)NC1CCCC(C1)(F)F 01400184514efc4a368a44df7b7a04ac [0,3,0,0,0,0|1,0,0]=4 5005 B12R1.1821 CC(=O)N[C@@H]1CCCC(C1)(C)C 93f0f21b696839f942521ef5b7e8eef1 [0,3,0,0,0,0|1,0,0]=4 5006 B12R1.1821 CC(=O)N[C@@H]1CCC[C@@](C1)(C)O 605f86bcb9ea3ef0fdd7cb9ef39cfa42 [0,3,0,0,0,0|1,0,0]=4 5007 B12R1.1821 CC(=O)N[C@@H]1CCC[C@](C1)(C)O 5aedd5d70b2bf913696364e6a806777b [0,3,0,0,0,0|1,0,0]=4 5008 B12R1.1821 CC(=O)N[C@H]1CCCC(C1)(C)C 2aa6a73ec58fd81192bbf2c3ca226abf [0,3,0,0,0,0|1,0,0]=4 5009 B12R1.279 CN(C)C1CCCC(C1)NC=O c26ca11dcde6032e03b8147488ce89a5 [0,3,0,0,0,0|1,0,0]=4 5010 B12R1.279 NC(=O)C1CCCC(C1)NC=O 41d59b9c5a068dbcccfa662a52717bcb [0,3,0,0,0,0|1,0,0]=4 5011 B12R1.279 NC(=O)[C@@H]1CCC[C@@H](C1)NC=O 7f656eb3ce64c42ba122a2980c8c0e87 [0,3,0,0,0,0|1,0,0]=4 5012 B12R1.279 NC(=O)[C@@H]1CCC[C@H](C1)NC=O f8838cf53e742a4b1308e6378590de22 [0,3,0,0,0,0|1,0,0]=4 5013 B12R1.279 NC(=O)[C@H]1CCC[C@@H](C1)NC=O eddec4f18cc76fb8a45e7ecad8debf62 [0,3,0,0,0,0|1,0,0]=4 5014 B12R1.279 NC(=O)[C@H]1CCC[C@H](C1)NC=O bc2ba37d082341219a7e6e2ce9754ae8 [0,3,0,0,0,0|1,0,0]=4 5015 B12R1.2228 CO[C@@]1(CCC[C@@H](C1)NC=O)C 5faf866944049153734160e0fe23b2c8 [0,3,0,0,0,0|1,0,0]=4 5016 B12R1.2228 CO[C@]1(CCC[C@H](C1)NC=O)C c87cebae7dee1f052537de4a6e3c3df3 [0,3,0,0,0,0|1,0,0]=4 5017 B12R1.3 C#CCN(C=O)C1CCCCC1 57a960045221cc884015d4d235bec217 [0,3,0,0,0,0|1,0,0]=4 5018 B12R1.3 C=CCN(C=O)C1CCCCC1 1759a0b37f800e9c82a56ff5afb9a829 [0,3,0,0,0,0|1,0,0]=4 5019 B12R1.3 CCCN(C=O)C1CCCCC1 ba3a3d36e16337f5655ce0c30f8b1c7b [0,3,0,0,0,0|1,0,0]=4 5020 B12R1.3 CCN(CC=O)C1CCCCC1 80023db0b775fada090938e48a47db13 [0,3,0,0,0,0|1,0,0]=4 5021 B12R1.3 O=CN(CCO)C1CCCCC1 31a9dcf156688ee9ffff0510a8e363b4 [0,3,0,0,0,0|1,0,0]=4 5022 B12R1.3 O=CNC(CO)C1CCCCC1 7af35177a1b992dbb87d15a5e904ccdd [0,3,0,0,0,0|1,0,0]=4 5023 B12R1.3 O=CN[C@@H](CO)C1CCCCC1 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CN(C=O)C1(CCCCC1)C#N b168ba5ab9111af2ea5fea7bf685946e [0,3,0,0,0,0|1,0,0]=4 5057 B12R1.8 C/C=C/CCOC1CCCCC1 75371750dcb3469baabcd24d30394bdd [0,3,0,0,0,0|1,0,0]=4 5058 B12R1.8 C/C=C/COCC1CCCCC1 dd94aa2170685b57e706c358e42679e1 [0,3,0,0,0,0|1,0,0]=4 5059 B12R1.8 C/C=C\COCC1CCCCC1 d3a1ba6ef40dbf776d4f62c16467a2c5 [0,3,0,0,0,0|1,0,0]=4 5060 B12R1.8 C=C=CCCOC1CCCCC1 92a6cdbd554041f15cba73aa27a21732 [0,3,0,0,0,0|1,0,0]=4 5061 B12R1.8 C=CCCCOC1CCCCC1 55e89b4a07319ff2f0a2c70d4ab55ba7 [0,3,0,0,0,0|1,0,0]=4 5062 B12R1.8 C=CCCOCC1CCCCC1 26d8af3ef58bca5c49d4bf9c8f5be60c [0,3,0,0,0,0|1,0,0]=4 5063 B12R1.8 C=CCOCCC1CCCCC1 53d93eec8f9c93632b88a4dda6562967 [0,3,0,0,0,0|1,0,0]=4 5064 B12R1.8 C=COCCNC1CCCCC1 68cf44934639fc3385b213ab7ecb572b [0,3,0,0,0,0|1,0,0]=4 5065 B12R1.8 C=COCCOC1CCCCC1 6d3bfffc84dffa571fabd3ac0bd1d160 [0,3,0,0,0,0|1,0,0]=4 5066 B12R1.8 CC/C=C/COC1CCCCC1 8e313273aad4eecdfbb37edf0be715a1 [0,3,0,0,0,0|1,0,0]=4 5067 B12R1.8 CC/C=C\COC1CCCCC1 4fafa70289569d9ad1e6ee26bc284516 [0,3,0,0,0,0|1,0,0]=4 5068 B12R1.8 CC=CCOCC1CCCCC1 d4ef6e40e040f9fa362c440606d5234d [0,3,0,0,0,0|1,0,0]=4 5069 B12R1.8 Cl/C=C/COCC1CCCCC1 ff59f6d35972a425d337dd1f925d0a76 [0,3,0,0,0,0|1,0,0]=4 5070 B12R1.8 Cl/C=C\COCC1CCCCC1 129f66beb941f70862afcc7514822e82 [0,3,0,0,0,0|1,0,0]=4 5071 B12R1.8 ClC=CCOCC1CCCCC1 a992999d8829ba775becdf3735815422 [0,3,0,0,0,0|1,0,0]=4 5072 B12R1.8 N#CC=CCOC1CCCCC1 a3dcb8d2cba5e7ff95cf74b4706550f3 [0,3,0,0,0,0|1,0,0]=4 5073 B12R1.8 O=C/C=C/COC1CCCCC1 27a88d1913d29f66be4c7436f6f95058 [0,3,0,0,0,0|0,0,0]=3 5074 B12R1.8 O=C/C=C/COC1CCCCO1 4ee928a8d25816c8aa244a9b7b13d75a [0,3,0,0,0,0|1,0,0]=4 5075 B12R1.8 O=C/C=C/COC1CCCOC1 0e045024ac4f3a4559727759ff02487c [0,3,0,0,0,0|1,0,0]=4 5076 B12R1.8 O=C/C=C/COC1CCOCC1 27fc77a4c075de8b9d98e073afd82213 [0,3,0,0,0,0|1,0,0]=4 5077 B12R1.8 O=C/C=C/COC1CCSCC1 d126f900252a646c9d59b1d0753ef245 [0,3,0,0,0,0|1,0,0]=4 5078 B12R1.8 O=CCCCOC1CCCCC1 1ce0ae8a9dc190679f35d0f040ac09b5 [0,3,0,0,0,0|0,0,0]=3 5079 B12R1.8 O=CCCCOC1CCCCO1 581039bb71c8c4ac53c50c6e4bc790d8 [0,3,0,0,0,0|1,0,0]=4 5080 B12R1.8 O=CCCCOC1CCCOC1 93bd391348ade1c3ced1e5853aa034ce [0,3,0,0,0,0|1,0,0]=4 5081 B12R1.8 O=CCCCOC1CCCSC1 07a3286b8b639fba973d4d8bfd5ab311 [0,3,0,0,0,0|1,0,0]=4 5082 B12R1.8 O=CCCCOC1CCOCC1 f7f32a664166b0e0d78870e5fef8f817 [0,3,0,0,0,0|1,0,0]=4 5083 B12R1.8 O=CCCCOC1CCSCC1 b83b1c6c10053b153370c883a1e8f20c [0,3,0,0,0,0|1,0,0]=4 5084 B12R1.8 O=CCCCO[C@@H]1CCCOC1 c64948e9d9636dd20c583c08b77a941b [0,3,0,0,0,0|1,0,0]=4 5085 B12R1.8 O=CCCCO[C@H]1CCCOC1 cf28cb6f21d9db5b5e96c7bf367c656a [0,3,0,0,0,0|1,0,0]=4 5086 B12R1.8 O=CCCNCC1CCCCC1 d462b1c24e31ec9c5da05243a3ec44c5 [0,3,0,0,0,0|1,0,0]=4 5087 B12R1.8 O=CCCOCC1CCCCC1 2881719945c0c789adeee0e0cb92112a [0,3,0,0,0,0|0,0,0]=3 5088 B12R1.8 O=CCCOCC1CCCCO1 abedf0810c41da553bfb49c84ffa922c [0,3,0,0,0,0|1,0,0]=4 5089 B12R1.8 O=CCCOCC1CCCOC1 489767aea0069c87899dd28a585a1248 [0,3,0,0,0,0|1,0,0]=4 5090 B12R1.8 O=CCCOCC1CCOCC1 21cb1dc4ea72f151e56f2b31c601bb6c [0,3,0,0,0,0|1,0,0]=4 5091 B12R1.8 O=CCCOCC1CCSCC1 b393c15b0db665061885f62ba3001b2a [0,3,0,0,0,0|1,0,0]=4 5092 B12R1.8 O=CCCOC[C@@H]1CCCCO1 73f960e9bff2babdd5fc3904e5bf5fea [0,3,0,0,0,0|1,0,0]=4 5093 B12R1.8 O=CCCOC[C@@H]1CCCOC1 39326dd9589c0866fd580ca866e9ca4c [0,3,0,0,0,0|1,0,0]=4 5094 B12R1.8 O=CCCOC[C@H]1CCCCO1 94d89a79f2d4ef64f813080d4a595ed5 [0,3,0,0,0,0|1,0,0]=4 5095 B12R1.8 O=CCCOC[C@H]1CCCOC1 f9def97053eb53eda40c0fb9c5b36681 [0,3,0,0,0,0|1,0,0]=4 5096 B12R1.8 O=CCNCCC1CCCCC1 64602f10e66c8f674f23b28d54cafcb4 [0,3,0,0,0,0|1,0,0]=4 5097 B12R1.8 O=CCOCC=C1CCCCC1 c916733eb923196852f43dff83c01dc1 [0,3,0,0,0,0|0,0,1]=4 5098 B12R1.8 O=CCOCCC1CCCCC1 4e50554efe3cd4ab5271fec90f11c57b [0,3,0,0,0,0|0,0,0]=3 5099 B12R1.8 O=CCOCCC1CCCCO1 505dc5136f21ab35e095a56f42573bd2 [0,3,0,0,0,0|1,0,0]=4 5100 B12R1.8 O=CCOCCC1CCOCC1 05d44213f8aea114217ddea6450bc59c [0,3,0,0,0,0|1,0,0]=4 5101 B12R1.8 O=CCOCCC1CCSCC1 0652150ae1019cf464a060fe41d1717e [0,3,0,0,0,0|1,0,0]=4 5102 B12R1.8 O=CCOCCN1CCCCC1 632e3da4c04b983dfa98f5f4a07a8617 [0,3,0,0,0,0|1,0,0]=4 5103 B12R1.8 O=CNCCCC1CCCCC1 28c361a042f31077187109682aa1c830 [0,3,0,0,0,0|1,0,0]=4 5104 B12R1.8 O=CNCCOC1CCCCC1 9d3ab816b18a8a39970d32862bc3175e [0,3,0,0,0,0|0,0,0]=3 5105 B12R1.8 O=CNCCOC1CCCCO1 744292afc8c49dff25e23e3b25c659a3 [0,3,0,0,0,0|1,0,0]=4 5106 B12R1.8 O=CNCCOC1CCCOC1 1251a3358dc8e32956fbcff81ddd38f9 [0,3,0,0,0,0|1,0,0]=4 5107 B12R1.8 O=CNCCOC1CCOCC1 845e3da6706e7e838802b09ba49247c4 [0,3,0,0,0,0|1,0,0]=4 5108 B12R1.8 O=CNCCOC1CCSCC1 36a032eff47366a6489ce0f333baeb0f [0,3,0,0,0,0|1,0,0]=4 5109 B12R1.8 O=CNCCSC1CCCCC1 97ae202947f92df50d268440f513af7b [0,3,0,0,0,0|0,1,0]=4 5110 B12R1.8 O=COCCOC1CCCCC1 790d83005c7cd43f855bac25a843e7b3 [0,3,0,0,0,0|0,0,0]=3 5111 B12R1.8 O=COCCOC1CCCCO1 9e2f71a2bfa6ad5101d4d90d524d57b9 [0,3,0,0,0,0|1,0,0]=4 5112 B12R1.8 O=COCCOC1CCCOC1 10338d83ae60159fd483096e0f96af4a [0,3,0,0,0,0|1,0,0]=4 5113 B12R1.8 O=COCCOC1CCOCC1 5f9997bdf855105eb52f5faa8093e5b7 [0,3,0,0,0,0|1,0,0]=4 5114 B12R1.8 O=COCCOC1CCSCC1 be28e1cb9bcb3115d8f35b8b2d04a4c5 [0,3,0,0,0,0|1,0,0]=4 5115 B12R1.27 C#CC(=O)NCC1CCCCC1 9df042afa4c5c8d0caa71de199db0921 [0,3,0,0,0,0|1,0,0]=4 5116 B12R1.27 C/C(=C\I)/COC1CCCCC1 18bea69a86302c5b639f2d90be4b3a9e [0,3,0,0,0,0|1,0,0]=4 5117 B12R1.27 C=C(C#N)COC1CCCCC1 f35c0e40963165fc21d1cca92d8dcfdb [0,3,0,0,0,0|1,0,0]=4 5118 B12R1.27 C=C(C=O)OCC1CCCCC1 f9ae44b6e8c401d04eaaceb2c3bd7ed7 [0,3,0,0,0,0|0,0,0]=3 5119 B12R1.27 C=C(C=O)OCC1CCCCO1 30b7943419bc75a9ad546009f1018caf [0,3,0,0,0,0|1,0,0]=4 5120 B12R1.27 C=C(C=O)OCC1CCCOC1 b7a8ec600bd0c6a36663fdda00c0daf9 [0,3,0,0,0,0|1,0,0]=4 5121 B12R1.27 C=C(C=O)OCC1CCOCC1 ff068948a5a67fb6f7c052debc4dfbcf [0,3,0,0,0,0|1,0,0]=4 5122 B12R1.27 C=C(C=O)OCC1CCSCC1 9d4b6fcf56f02005be1c0d18a4a258e9 [0,3,0,0,0,0|1,0,0]=4 5123 B12R1.27 C=C(CC)COC1CCCCC1 74192518bd32b062af0d0d2796441ac7 [0,3,0,0,0,0|1,0,0]=4 5124 B12R1.27 C=C(COC1CCCCC1)OC 5b94496ea4c1c2cabdd1d2d0480661d2 [0,3,0,0,0,0|0,0,1]=4 5125 B12R1.27 C=CC(=O)NCC1CCCCC1 c6253f869e51fa2a10657938e7cf3cc5 [0,3,0,0,0,0|1,0,0]=4 5126 B12R1.27 C=CC(C)COC1CCCCC1 e3c9dbaaa791f15d03d3e24e8ec7f0a2 [0,3,0,0,0,0|1,0,0]=4 5127 B12R1.27 C=CC(C)OCC1CCCCC1 3b226c404e884c0bdcd966df78027022 [0,3,0,0,0,0|1,0,0]=4 5128 B12R1.27 C=C[C@H](C)OCC1CCCCC1 5e6d77bbe34da12e48437acfd9e1b857 [0,3,0,0,0,0|1,0,0]=4 5129 B12R1.27 CC(=CI)COC1CCCCC1 bac2cc525290b02ed76881892cbda31b [0,3,0,0,0,0|1,0,0]=4 5130 B12R1.27 CC(C=O)NCC1CCCCC1 1c78c8be1bbaaa4416aecb5f9d83e179 [0,3,0,0,0,0|1,0,0]=4 5131 B12R1.27 CC(C=O)OCC1CCCCC1 f1b6e145e8b747e5acfee3d440dae193 [0,3,0,0,0,0|0,0,0]=3 5132 B12R1.27 CC(C=O)OCC1CCCCO1 81db39b495106c6ed672b2c34908067b [0,3,0,0,0,0|1,0,0]=4 5133 B12R1.27 CC(C=O)OCC1CCCOC1 20b5ca15a1ff8c1ec000c63296a6a3cc [0,3,0,0,0,0|1,0,0]=4 5134 B12R1.27 CC(C=O)OCC1CCOCC1 c06da1affa2add80c2f33a30a51f19ed [0,3,0,0,0,0|1,0,0]=4 5135 B12R1.27 CC(C=O)OCC1CCSCC1 6fed1ca0b15207cb709ac8edc6d29071 [0,3,0,0,0,0|1,0,0]=4 5136 B12R1.27 CC(C=O)OC[C@@H]1CCCCO1 1955d9c3cfe13aa4225f812bef113feb [0,3,0,0,0,0|1,0,0]=4 5137 B12R1.27 CC(C=O)OC[C@@H]1CCCOC1 688060a697d77c24fc8ee40e2f92be00 [0,3,0,0,0,0|1,0,0]=4 5138 B12R1.27 CC(C=O)OC[C@H]1CCCCO1 3cf008cad83c3a460207cf9d3110de06 [0,3,0,0,0,0|1,0,0]=4 5139 B12R1.27 CC(C=O)OC[C@H]1CCCOC1 dcbaa0fe2db7f3f0b41e9beb7a479636 [0,3,0,0,0,0|1,0,0]=4 5140 B12R1.27 CCC(=O)COC1CCCCC1 b08dae3654feebf4586bf4d8e9316d63 [0,3,0,0,0,0|0,0,0]=3 5141 B12R1.27 CCC(=O)COC1CCCCO1 43af0a78cc790bc8b6618df7b331d913 [0,3,0,0,0,0|1,0,0]=4 5142 B12R1.27 CCC(=O)COC1CCCOC1 ad6accf2966aa9bcd71c11ed6a56edc8 [0,3,0,0,0,0|1,0,0]=4 5143 B12R1.27 CCC(=O)COC1CCCSC1 30967f085b1a21a371d29e65f8c886a9 [0,3,0,0,0,0|1,0,0]=4 5144 B12R1.27 CCC(=O)COC1CCOCC1 88a26483f038389d341a5d673cff253f [0,3,0,0,0,0|1,0,0]=4 5145 B12R1.27 CCC(=O)COC1CCSCC1 fcc40f19b2a06893729c425378009d3f [0,3,0,0,0,0|1,0,0]=4 5146 B12R1.27 CCC(=O)CO[C@@H]1CCCOC1 6d8681d55358211fa277593d96ccbb9e [0,3,0,0,0,0|1,0,0]=4 5147 B12R1.27 CCC(=O)CO[C@H]1CCCOC1 d02939f825716eccf7c48a69b8e7b521 [0,3,0,0,0,0|1,0,0]=4 5148 B12R1.27 CCC(=O)NCC1CCCCC1 35e0fbdc611a9ce372d9ee9dc56fc820 [0,3,0,0,0,0|1,0,0]=4 5149 B12R1.27 CN(C=O)CCC1CCCCC1 65b3fa7a6bf0215bedf62f3d155e4d08 [0,3,0,0,0,0|1,0,0]=4 5150 B12R1.27 CNC(=O)CNC1CCCCC1 380278a759fc11fc69c0b511fcbd84f7 [0,3,0,0,0,0|1,0,0]=4 5151 B12R1.27 CNC(=O)COC1CCCCC1 7dcbfcf91dc74c1477f6c4fccdba59b9 [0,3,0,0,0,0|0,0,0]=3 5152 B12R1.27 CNC(=O)COC1CCCCO1 86900bb64237f77f8bc7ea66009e47ee [0,3,0,0,0,0|1,0,0]=4 5153 B12R1.27 CNC(=O)COC1CCCOC1 c373263a6d386a890078742bda2b476a [0,3,0,0,0,0|1,0,0]=4 5154 B12R1.27 CNC(=O)COC1CCCSC1 d6f6808ee7ff6028ccb529d2cc5893f5 [0,3,0,0,0,0|1,0,0]=4 5155 B12R1.27 CNC(=O)COC1CCOCC1 e806c6a15baccb99fe244a6909493681 [0,3,0,0,0,0|1,0,0]=4 5156 B12R1.27 CNC(=O)COC1CCSCC1 408ff14c153dc9d82c150c5b41580446 [0,3,0,0,0,0|1,0,0]=4 5157 B12R1.27 CNC(=O)CO[C@@H]1CCCOC1 f6dd8c2140e7b02eeed3782f08ab4fe6 [0,3,0,0,0,0|1,0,0]=4 5158 B12R1.27 CNC(=O)CO[C@H]1CCCOC1 92f0d1f1cef1c7ccb838daf65ad2ddf1 [0,3,0,0,0,0|1,0,0]=4 5159 B12R1.27 COC(=O)CNC1CCCCC1 4b70bca722d01b1da9df11b4ddcc9d3e [0,3,0,0,0,0|1,0,0]=4 5160 B12R1.27 COC(=O)COC1CCCCC1 4bc78e624842236f620d5589ae24dfd7 [0,3,0,0,0,0|0,0,0]=3 5161 B12R1.27 COC(=O)COC1CCCCO1 dcb8fcbe121eabf4fab691572eae8e5e [0,3,0,0,0,0|1,0,0]=4 5162 B12R1.27 COC(=O)COC1CCCOC1 a3ca0e49ee1ca962719e623df7604c67 [0,3,0,0,0,0|1,0,0]=4 5163 B12R1.27 COC(=O)COC1CCCSC1 b009cb5de29212835b49a53b850dc769 [0,3,0,0,0,0|1,0,0]=4 5164 B12R1.27 COC(=O)COC1CCOCC1 8cba5ca03f118c7a7336a1f03839fa43 [0,3,0,0,0,0|1,0,0]=4 5165 B12R1.27 COC(=O)COC1CCSCC1 6ec467cfe4b8781c1bbe1be5592d4a43 [0,3,0,0,0,0|1,0,0]=4 5166 B12R1.27 COC(=O)CO[C@@H]1CCCOC1 3a29aa3ae815c37b90b42570ab26ae8f [0,3,0,0,0,0|1,0,0]=4 5167 B12R1.27 COC(=O)CO[C@H]1CCCOC1 2e3fbbdc152b5fcd91e26d4238f4937f [0,3,0,0,0,0|1,0,0]=4 5168 B12R1.27 C[C@H](C=O)NCC1CCCCC1 12a7dba35824cdd6ffdd599d20a99b66 [0,3,0,0,0,0|1,0,0]=4 5169 B12R1.27 C[C@H](C=O)OCC1CCCCC1 8cbb7a11e8258e19506de86ebc32d2c6 [0,3,0,0,0,0|0,0,0]=3 5170 B12R1.27 C[C@H](C=O)OCC1CCCCO1 dbc9a3571d89573d42015c688fef9636 [0,3,0,0,0,0|1,0,0]=4 5171 B12R1.27 C[C@H](C=O)OCC1CCCOC1 1f587797b3dfd182808405d1f6cce2ac [0,3,0,0,0,0|1,0,0]=4 5172 B12R1.27 C[C@H](C=O)OCC1CCOCC1 af13a2695f394b14c6f1286c5d167e1a [0,3,0,0,0,0|1,0,0]=4 5173 B12R1.27 C[C@H](C=O)OCC1CCSCC1 7130db0270bcf32bb9d2c5fc7256d893 [0,3,0,0,0,0|1,0,0]=4 5174 B12R1.27 C[C@H](C=O)OC[C@@H]1CCCCO1 ea815188a061f23ce3e645a797607b93 [0,3,0,0,0,0|1,0,0]=4 5175 B12R1.27 C[C@H](C=O)OC[C@@H]1CCCOC1 5086a87bbc233ee31b25f828a9316d3b [0,3,0,0,0,0|1,0,0]=4 5176 B12R1.27 C[C@H](C=O)OC[C@H]1CCCCO1 7ee3651b1d17c71eeab74c19da2ac008 [0,3,0,0,0,0|1,0,0]=4 5177 B12R1.27 C[C@H](C=O)OC[C@H]1CCCOC1 1d9d8e4df564966256e59d534f145a07 [0,3,0,0,0,0|1,0,0]=4 5178 B12R1.27 Cl/C=C(\Cl)/COC1CCCCC1 9a9673f3efaed1b081627735d6e4cf88 [0,3,0,0,0,0|1,0,0]=4 5179 B12R1.27 O=C(CF)NCC1CCCCC1 85267d433b64042bd98cb5b7960ad061 [0,3,0,0,0,0|1,0,0]=4 5180 B12R1.27 O=C(CNC1CCCCC1)NO ce76bdcd488befe10ef61ea0733a27cd [0,3,0,0,0,0|1,0,0]=4 5181 B12R1.27 O=C(CO)NCC1CCCCC1 a9b19c31cfe7e54de0a8e15666fe55c4 [0,3,0,0,0,0|1,0,0]=4 5182 B12R1.27 O=C(CS)NCC1CCCCC1 33d2c387c724c957bea6e873762e7541 [0,3,0,0,0,0|1,0,0]=4 5183 B12R1.27 O=CC(=O)NCC1CCCCC1 5312fc7f243f40376a7a2493702e5b0c [0,3,0,0,0,0|1,0,0]=4 5184 B12R1.32 C/C=C/C(C)OC1CCCCC1 7b9caa9be546babad8f0522e16b65ba5 [0,3,0,0,0,0|1,0,0]=4 5185 B12R1.32 C=CCC(C)OC1CCCCC1 06eafa017ea8668b41dd5f290996a37b [0,3,0,0,0,0|1,0,0]=4 5186 B12R1.32 C=CC[C@@H](C)OC1CCCCC1 aab3f7d7c68fe6e5177fde5f06cb6b3f [0,3,0,0,0,0|1,0,0]=4 5187 B12R1.32 C=CC[C@H](C)OC1CCCCC1 485386d8f5bc1dd756c9bd6f38750615 [0,3,0,0,0,0|1,0,0]=4 5188 B12R1.32 CC(CC1CCCCC1)NC=O dc942fee57a6ecba18c48b9aa92f412c [0,3,0,0,0,0|1,0,0]=4 5189 B12R1.32 CC=CC(C)OC1CCCCC1 2c1b71ea803867a7634be0c7d065deb0 [0,3,0,0,0,0|1,0,0]=4 5190 B12R1.32 CCCC(=S)OC1CCCCC1 052dfad4b5172ffbcf806d81aaa08654 [0,3,0,0,0,0|0,1,0]=4 5191 B12R1.32 CN(CC=O)CC1CCCCC1 ff2159ee74726cb79bd6ca3c72b11047 [0,3,0,0,0,0|1,0,0]=4 5192 B12R1.32 N#CNC(=O)CC1CCCCC1 b550857edf3bed9a4f13da4692e4b750 [0,3,0,0,0,0|1,0,0]=4 5193 B12R1.252 C/C(=C/COC1CCCCC1)/Cl 6e845ffa3fab7dec4db8015613c59fbc [0,3,0,0,0,0|1,0,0]=4 5194 B12R1.252 C/C(=C/COC1CCCCC1)/I 277e12a1d6a7ea2b91a0f68b62654f57 [0,3,0,0,0,0|1,0,0]=4 5195 B12R1.252 C/C(=C\COC1CCCCC1)/Cl 17780d41c00fbb7f5c5f696afb6d33bf [0,3,0,0,0,0|1,0,0]=4 5196 B12R1.252 C=C(Br)CCOC1CCCCC1 59afeae8f2db5f92bb612172eb89b20e [0,3,0,0,0,0|1,0,0]=4 5197 B12R1.252 C=C(Br)COCC1CCCCC1 5fb110863849dcec2b93bdb572eb46f4 [0,3,0,0,0,0|1,0,0]=4 5198 B12R1.252 C=C(C)CCOC1CCCCC1 f56ba0adb90104f8e9998ca09c1fc244 [0,3,0,0,0,0|1,0,0]=4 5199 B12R1.252 C=C(C)COCC1CCCCC1 190678baf478f378d21d5dc57a40d4d4 [0,3,0,0,0,0|1,0,0]=4 5200 B12R1.252 C=C(Cl)COCC1CCCCC1 cb50f0dff8bb117c6972bf99804073d7 [0,3,0,0,0,0|1,0,0]=4 5201 B12R1.252 C=C(F)COCC1CCCCC1 3962095ed739a129d04a2b6b1fe4a91d [0,3,0,0,0,0|1,0,0]=4 5202 B12R1.252 C=C(I)COCC1CCCCC1 d831ea9ce5e45d71bf4a7b12ef2ba7e2 [0,3,0,0,0,0|1,0,0]=4 5203 B12R1.252 CC(=CCOC1CCCCC1)C 2247cc29e2b17069ef0c773137a9ebe0 [0,3,0,0,0,0|1,0,0]=4 5204 B12R1.252 CC(=CCOC1CCCCC1)Cl 2e32371f29feeec11f4318081c6e0525 [0,3,0,0,0,0|1,0,0]=4 5205 B12R1.252 CC(=CCOC1CCCCC1)I e9f3a5a49663ca88971815199da85e2e [0,3,0,0,0,0|1,0,0]=4 5206 B12R1.252 CC(=O)CCOC1CCCCC1 e4251c9461462d5687b8cd3122a2cce2 [0,3,0,0,0,0|0,0,0]=3 5207 B12R1.252 CC(=O)CCOC1CCCCO1 108759f6b4bc97fa5af44deac9cfc0a5 [0,3,0,0,0,0|1,0,0]=4 5208 B12R1.252 CC(=O)CCOC1CCCOC1 481154ba71f12ccb8d6d5cbb734ecb20 [0,3,0,0,0,0|1,0,0]=4 5209 B12R1.252 CC(=O)CCOC1CCCSC1 b9e953e7bdf3e4927740cb75eebc6e68 [0,3,0,0,0,0|1,0,0]=4 5210 B12R1.252 CC(=O)CCOC1CCOCC1 4a98e1ef6871431dd658800e0c279268 [0,3,0,0,0,0|1,0,0]=4 5211 B12R1.252 CC(=O)CCOC1CCSCC1 91e64d2b72fc5a5957392e690aa14867 [0,3,0,0,0,0|1,0,0]=4 5212 B12R1.252 CC(=O)CCO[C@@H]1CCCOC1 e1c3e6247df07a6df26b92f464824b11 [0,3,0,0,0,0|1,0,0]=4 5213 B12R1.252 CC(=O)CCO[C@H]1CCCOC1 bc802c6fd71d818f66e5c3ccc6331a37 [0,3,0,0,0,0|1,0,0]=4 5214 B12R1.252 CC(=O)CNCC1CCCCC1 5af34adf99db67dd0b4c9e762216606c [0,3,0,0,0,0|1,0,0]=4 5215 B12R1.252 CC(=O)COCC1CCCCC1 9d264feb1e18e4c3f2aaf1dd03fdd588 [0,3,0,0,0,0|0,0,0]=3 5216 B12R1.252 CC(=O)COCC1CCCCO1 e39e36731578819aee762595ee0b506f [0,3,0,0,0,0|1,0,0]=4 5217 B12R1.252 CC(=O)COCC1CCCOC1 26488f5cbefe56de1755fbc6f001ea51 [0,3,0,0,0,0|1,0,0]=4 5218 B12R1.252 CC(=O)COCC1CCOCC1 0fc17a931d4a783355d92250b6eccebd [0,3,0,0,0,0|1,0,0]=4 5219 B12R1.252 CC(=O)COCC1CCSCC1 31e63a5aa796e448db0316ca56f39340 [0,3,0,0,0,0|1,0,0]=4 5220 B12R1.252 CC(=O)NCCC1CCCCC1 6b26a3d89dc79374fdd398a6ae5f443e [0,3,0,0,0,0|1,0,0]=4 5221 B12R1.252 CC(=O)NCOC1CCCCC1 239f424b2c92ff1c4c24d765d449e74c [0,3,0,0,0,0|0,0,0]=3 5222 B12R1.252 CC(=O)NCOC1CCCCO1 d434c6bfc151d7c94ee3c432bf00746a [0,3,0,0,0,0|1,0,0]=4 5223 B12R1.252 CC(=O)NCOC1CCOCC1 c319fdc446aadcc6e43986187c30ed63 [0,3,0,0,0,0|1,0,0]=4 5224 B12R1.252 CC(=O)NCOC1CCSCC1 0271d71dc486ab1be8f3d1cb02dd333a [0,3,0,0,0,0|1,0,0]=4 5225 B12R1.252 CC(=O)OCNC1CCCOC1 70b96c9572f26954eb75e594030be2d3 [0,3,0,0,0,0|1,0,0]=4 5226 B12R1.252 CC(=O)OCNC1CCOCC1 9b6a8d9cfd8dda924712f0dc75c043ad [0,3,0,0,0,0|1,0,0]=4 5227 B12R1.252 CC(=O)OCNC1CCSCC1 c8cdbeb6d54f673ef695533a7b9a38db [0,3,0,0,0,0|1,0,0]=4 5228 B12R1.252 CC(=O)OCN[C@@H]1CCCOC1 9170791cadac53cf60212f3d0f411fac [0,3,0,0,0,0|1,0,0]=4 5229 B12R1.252 CC(=O)OCN[C@H]1CCCOC1 600cb00a856c06a35d02bdce0b642b5f [0,3,0,0,0,0|1,0,0]=4 5230 B12R1.252 CC(=O)OCOC1CCCCC1 6d572aaaddfe84fdba304200896cbcce [0,3,0,0,0,0|0,0,0]=3 5231 B12R1.252 CC(=O)OCOC1CCCCO1 00b1a08bb57398750393274b9cf9b0cb [0,3,0,0,0,0|1,0,0]=4 5232 B12R1.252 CC(=O)OCOC1CCCOC1 f4a30b1889f0377a67c4d42cbd6562a5 [0,3,0,0,0,0|1,0,0]=4 5233 B12R1.252 CC(=O)OCOC1CCCSC1 ba7d9d8caddb81af8149042971d7f485 [0,3,0,0,0,0|1,0,0]=4 5234 B12R1.252 CC(=O)OCOC1CCOCC1 b0a29664e9676fc6fc5a3c2ee5d8d99e [0,3,0,0,0,0|1,0,0]=4 5235 B12R1.252 CC(=O)OCOC1CCSCC1 1c81c6bf799a088e2e9b58121d074059 [0,3,0,0,0,0|1,0,0]=4 5236 B12R1.252 CC(=O)OCO[C@@H]1CCCOC1 2bd2f4ac1b346decfc4ee91b5a101b6e [0,3,0,0,0,0|1,0,0]=4 5237 B12R1.252 CC(=O)OCO[C@H]1CCCOC1 fc94522912ef0fa933b047579218d8cc [0,3,0,0,0,0|1,0,0]=4 5238 B12R1.252 CS(=O)CCOC1CCCCC1 554ef7ac6072f0df6dc6125fa74c6605 [0,3,0,0,0,0|0,0,1]=4 5239 B12R1.252 ClC(=CCOC1CCCCC1)Cl 6bf870bab94bbbd73f65f4acfe64c0ec [0,3,0,0,0,0|1,0,0]=4 5240 B12R1.252 NC(=O)CCNC1CCCCC1 9697a4f336e64f4aad5af0e2dc5b28b3 [0,3,0,0,0,0|1,0,0]=4 5241 B12R1.252 NC(=O)CCOC1CCCCC1 0e04e76becbda8e45ae40d72d4c59104 [0,3,0,0,0,0|0,0,0]=3 5242 B12R1.252 NC(=O)CCOC1CCCCO1 0492ea8ff78a5ee1d358d4872a0e7b06 [0,3,0,0,0,0|1,0,0]=4 5243 B12R1.252 NC(=O)CCOC1CCCOC1 974323a2ed211a488982d13f90a6b5fc [0,3,0,0,0,0|1,0,0]=4 5244 B12R1.252 NC(=O)CCOC1CCCSC1 ae0b06c5fed0c146186b1e6bcd2007b5 [0,3,0,0,0,0|1,0,0]=4 5245 B12R1.252 NC(=O)CCOC1CCOCC1 16e2c98c6a7d6cf0953a13d547d127da [0,3,0,0,0,0|1,0,0]=4 5246 B12R1.252 NC(=O)CCOC1CCSCC1 a19d557ceeab86122fbbe5ab66007629 [0,3,0,0,0,0|1,0,0]=4 5247 B12R1.252 NC(=O)CCO[C@@H]1CCCOC1 5318eddda8b480f3dee0d7dcbc5aec44 [0,3,0,0,0,0|1,0,0]=4 5248 B12R1.252 NC(=O)CCO[C@H]1CCCOC1 1e956b31a871d722e36e2e40062d4cb1 [0,3,0,0,0,0|1,0,0]=4 5249 B12R1.252 NC(=O)CNCC1CCCCC1 c5ba6ef3a651889e8401aafcf759d0e2 [0,3,0,0,0,0|1,0,0]=4 5250 B12R1.252 NC(=O)COCC1CCCCC1 81e5f49f9102ef87d945f89309f62128 [0,3,0,0,0,0|0,0,0]=3 5251 B12R1.252 NC(=O)COCC1CCCCO1 eb9690a241d3b3b0986881c344943053 [0,3,0,0,0,0|1,0,0]=4 5252 B12R1.252 NC(=O)COCC1CCCOC1 b5810f64f888d5093338a3f2989bc9af [0,3,0,0,0,0|1,0,0]=4 5253 B12R1.252 NC(=O)COCC1CCOCC1 98a4f16f2f9381c791d1563411adc0e3 [0,3,0,0,0,0|1,0,0]=4 5254 B12R1.252 NC(=O)COCC1CCSCC1 377d84f0bba3b026060ce9ccdc3889c9 [0,3,0,0,0,0|1,0,0]=4 5255 B12R1.252 NC(=O)COC[C@@H]1CCCCO1 6404537517e7750e1e412a5bb4f27324 [0,3,0,0,0,0|1,0,0]=4 5256 B12R1.252 NC(=O)COC[C@@H]1CCCOC1 f02e6c616d3754585b1015e3f9e0f15a [0,3,0,0,0,0|1,0,0]=4 5257 B12R1.252 NC(=O)COC[C@H]1CCCCO1 6be97babd2881ee8ac83dd83ffe09813 [0,3,0,0,0,0|1,0,0]=4 5258 B12R1.252 NC(=O)COC[C@H]1CCCOC1 be42ecd055b57f0dd2dbca150c89866e [0,3,0,0,0,0|1,0,0]=4 5259 B12R1.252 NC(=O)NCOC1CCCCC1 1820748cfa7a43d048d0b2aabbccfa6e [0,3,0,0,0,0|0,0,0]=3 5260 B12R1.252 NC(=O)NCOC1CCCCO1 fc781e8e5105f96fd651e0fe8a3d745e [0,3,0,0,0,0|1,0,0]=4 5261 B12R1.252 NC(=O)NCOC1CCOCC1 768c206f1cf83c5153993fc4c1479d98 [0,3,0,0,0,0|1,0,0]=4 5262 B12R1.252 NC(=O)NCOC1CCSCC1 9b643abbbb6ea9fbda7f868bb44f0fce [0,3,0,0,0,0|1,0,0]=4 5263 B12R1.252 NC(=O)SCOC1CCCCC1 f9447e34e273d86ddcfd71ab2eaec039 [0,3,0,0,0,0|0,0,0]=3 5264 B12R1.252 NC(=O)SCOC1CCCCO1 e4a7a1e4fb4f4fdc30c8ab817cdb49cc [0,3,0,0,0,0|1,0,0]=4 5265 B12R1.252 NC(=O)SCOC1CCCOC1 76e13b3049fd979412fd0469e8e02a59 [0,3,0,0,0,0|1,0,0]=4 5266 B12R1.252 NC(=O)SCOC1CCCSC1 3c5762a73f890edbae02aa58da92500b [0,3,0,0,0,0|1,0,0]=4 5267 B12R1.252 NC(=O)SCOC1CCOCC1 c184198cd3e3e57a0aed81c1c51a8937 [0,3,0,0,0,0|1,0,0]=4 5268 B12R1.252 NC(=O)SCOC1CCSCC1 f9f651de730e3497e5a88b9eda91b4ce [0,3,0,0,0,0|1,0,0]=4 5269 B12R1.252 NC(=O)SCO[C@@H]1CCCOC1 523a83d009c2d7449223a137ba1c942f [0,3,0,0,0,0|1,0,0]=4 5270 B12R1.252 NC(=O)SCO[C@H]1CCCOC1 5d6f54a56171c0cedbed1e60d02af31f [0,3,0,0,0,0|1,0,0]=4 5271 B12R1.252 NC(=S)COCC1CCCCC1 3d7a183cf220dbc037575215c0edf282 [0,3,0,0,0,0|0,1,0]=4 5272 B12R1.252 O=C(O)CCNC1CCCCC1 f66ea53c90c672a0766bb4581e244543 [0,3,0,0,0,0|1,0,0]=4 5273 B12R1.252 O=C(O)CCOC1CCCCC1 b3cd5f51484769f962d8ff5f20fc9a7e [0,3,0,0,0,0|0,0,0]=3 5274 B12R1.252 O=C(O)CCOC1CCCCO1 720b283b63bd1a76b4a182ac03b3ff0d [0,3,0,0,0,0|1,0,0]=4 5275 B12R1.252 O=C(O)CCOC1CCCOC1 1f071491379f13e42cd4d2be0986c7f8 [0,3,0,0,0,0|1,0,0]=4 5276 B12R1.252 O=C(O)CCOC1CCCSC1 ab75856a40577c3b1dbe0a0296bd84bb [0,3,0,0,0,0|1,0,0]=4 5277 B12R1.252 O=C(O)CCOC1CCOCC1 065f76715a0c948f429b80bd869c8f02 [0,3,0,0,0,0|1,0,0]=4 5278 B12R1.252 O=C(O)CCOC1CCSCC1 4e0dd469b89c4b210f523294a221320a [0,3,0,0,0,0|1,0,0]=4 5279 B12R1.252 O=C(O)CCO[C@@H]1CCCOC1 c7049b0560329b8c2eff923903029ef6 [0,3,0,0,0,0|1,0,0]=4 5280 B12R1.252 O=C(O)CCO[C@H]1CCCOC1 8b521585454bb712f1c5cbd4a4f1f6b6 [0,3,0,0,0,0|1,0,0]=4 5281 B12R1.252 O=C(O)CNCC1CCCCC1 06caf03ec055ddf04488cab225457e93 [0,3,0,0,0,0|1,0,0]=4 5282 B12R1.252 O=C(O)COCC1CCCCC1 2c67702fa501448667ee0f733c062aa5 [0,3,0,0,0,0|0,0,0]=3 5283 B12R1.252 O=C(O)COCC1CCCCO1 cced68f30a8d574a9150a11361cdfd9a [0,3,0,0,0,0|1,0,0]=4 5284 B12R1.252 O=C(O)COCC1CCCOC1 6b88785be7e46522d12fb2691e12c218 [0,3,0,0,0,0|1,0,0]=4 5285 B12R1.252 O=C(O)COCC1CCOCC1 9c86f49928631e95208779d5f0ad2999 [0,3,0,0,0,0|1,0,0]=4 5286 B12R1.252 O=C(O)COCC1CCSCC1 614470b7e35814706520af2626c9bb92 [0,3,0,0,0,0|1,0,0]=4 5287 B12R1.252 O=C(O)COC[C@@H]1CCCCO1 be0a317d0d4cb038d84718e0966c9499 [0,3,0,0,0,0|1,0,0]=4 5288 B12R1.252 O=C(O)COC[C@@H]1CCCOC1 0d5048d1c439d16c9f4cb5a256bc8b02 [0,3,0,0,0,0|1,0,0]=4 5289 B12R1.252 O=C(O)COC[C@H]1CCCCO1 985d7de9c3ec61a80ffa9ac3f9e9ecb6 [0,3,0,0,0,0|1,0,0]=4 5290 B12R1.252 O=C(O)COC[C@H]1CCCOC1 d965b3fd933a24f45b8e632fa33c5faa [0,3,0,0,0,0|1,0,0]=4 5291 B12R1.252 O=S(O)COCC1CCCCC1 72a8b3a537115ba9e1a0ca6773d866f3 [0,3,0,0,0,0|0,0,1]=4 5292 B12R1.252 O=[N+]([O-])CCOC1CCCCC1 923e447b52d39584400ff0780d632f80 [0,3,0,0,0,0|0,0,1]=4 5293 B12R1.252 O=[N+]([O-])COCC1CCCCC1 b1f346a665b315d4253c75ad72f9f141 [0,3,0,0,0,0|0,0,1]=4 5294 B12R1.1997 C=CCOCC1(CCCCC1)C fc8babcd0b3730739d53d06fbb00496e [0,3,0,0,0,0|1,0,0]=4 5295 B12R1.1997 C=CCOCC1(CCCCC1)F f579fa9984ae3a46f322b3faaa32c1d3 [0,3,0,0,0,0|1,0,0]=4 5296 B12R1.1997 CC1(CCCCC1)CNCC=O 35ce69b29289f0535f6baf798f5a1dca [0,3,0,0,0,0|1,0,0]=4 5297 B12R1.1997 CC1(CCCCC1)COCC=O de3e9c2533e06b1db2c718ac84f61db6 [0,3,0,0,0,0|0,0,0]=3 5298 B12R1.1997 CC1(CCCCC1)NCCC=O 9d93b3f4cb1f950d8f37dfae11132f0a [0,3,0,0,0,0|1,0,0]=4 5299 B12R1.1997 CC1(CCOCC1)COCC=O f96619ba3e4cbb64e7625efa7f716803 [0,3,0,0,0,0|1,0,0]=4 5300 B12R1.1997 O=CCNCC1(CCCCC1)O ee976cb9792465d57e734ac6f07ad3d4 [0,3,0,0,0,0|1,0,0]=4 5301 B12R1.1997 O=CCOCC1(CCCCC1)F 1014e763caceb6315fae40f20b290874 [0,3,0,0,0,0|0,0,0]=3 5302 B12R1.1997 O=CCOCC1(CCCOC1)F 71073ccf9607028c644076ed58b33613 [0,3,0,0,0,0|1,0,0]=4 5303 B12R1.1997 O=CCOCC1(CCOCC1)F ac9ba1f8fc807fae55babefa2bd6cf4a [0,3,0,0,0,0|1,0,0]=4 5304 B12R1.1997 O=CNCCC1(CCCCC1)O 98d784c9bced425e167f95bfbdf6661c [0,3,0,0,0,0|1,0,0]=4 5305 B12R1.43 CC(=O)C(C)OC1CCCCC1 4ca2f277968285bbf0b0d77fc67bd5d3 [0,3,0,0,0,0|0,0,0]=3 5306 B12R1.43 CC(=O)C(C)OC1CCCCO1 ae37f83d1e4773a40415ec302094869d [0,3,0,0,0,0|1,0,0]=4 5307 B12R1.43 CC(=O)C(C)OC1CCCOC1 32fc919442ace5a926318473f1800e37 [0,3,0,0,0,0|1,0,0]=4 5308 B12R1.43 CC(=O)C(C)OC1CCCSC1 5f2f5b3663788c845256352904011547 [0,3,0,0,0,0|1,0,0]=4 5309 B12R1.43 CC(=O)C(C)OC1CCOCC1 920afa690655b8cb0aa3c99e5eb19e03 [0,3,0,0,0,0|1,0,0]=4 5310 B12R1.43 CC(=O)C(C)OC1CCSCC1 01cf4610d18858992efe4f9be51d0c43 [0,3,0,0,0,0|1,0,0]=4 5311 B12R1.43 CC(=O)C(C)O[C@@H]1CCCOC1 68adc36fdcd0169c5f7b1c37aa975b87 [0,3,0,0,0,0|1,0,0]=4 5312 B12R1.43 CC(=O)C(C)O[C@H]1CCCOC1 dfc167f1e5c66a599643848410d47aee [0,3,0,0,0,0|1,0,0]=4 5313 B12R1.43 CC(=O)N(C)CC1CCCCC1 58aeeb06d3b7b237cc45cefd44e759f6 [0,3,0,0,0,0|1,0,0]=4 5314 B12R1.43 CC(NC1CCCCC1)C(=O)N 1da676afab54ae50286fe235f2b1a08b [0,3,0,0,0,0|1,0,0]=4 5315 B12R1.43 CC(OC1CCCCC1)C(=O)N 0490dc71cfda6596c8df4320f5efcc09 [0,3,0,0,0,0|0,0,0]=3 5316 B12R1.43 CC(OC1CCCCC1)C(=O)O 4bec96d17780c521ffa1d3f6d626f214 [0,3,0,0,0,0|0,0,0]=3 5317 B12R1.43 CC(OC1CCCCO1)C(=O)N 0eba4a5c5557bed35f128c19450f48f3 [0,3,0,0,0,0|1,0,0]=4 5318 B12R1.43 CC(OC1CCCCO1)C(=O)O a1abe145dbc10732522ad44aaa8ff1cd [0,3,0,0,0,0|1,0,0]=4 5319 B12R1.43 CC(OC1CCCOC1)C(=O)N 1009e2d88375d0f4842a8b8ea9d3be21 [0,3,0,0,0,0|1,0,0]=4 5320 B12R1.43 CC(OC1CCCSC1)C(=O)N 037138e748e6725b4285b867d80b4021 [0,3,0,0,0,0|1,0,0]=4 5321 B12R1.43 CC(OC1CCOCC1)C(=O)N 2f93a0c1b30a935880980d9866ebbb2f [0,3,0,0,0,0|1,0,0]=4 5322 B12R1.43 CC(OC1CCOCC1)C(=O)O 0027d09f50026edbd9fb55afaaf1f208 [0,3,0,0,0,0|1,0,0]=4 5323 B12R1.43 CC(OC1CCSCC1)C(=O)N 17dcf025f09245e410775c466420a825 [0,3,0,0,0,0|1,0,0]=4 5324 B12R1.43 CC(O[C@@H]1CCCOC1)C(=O)N cd364df33fffe7b5220d881505151ac5 [0,3,0,0,0,0|1,0,0]=4 5325 B12R1.43 CC(O[C@H]1CCCOC1)C(=O)N d7bcc30d75ad3d46c085162e8bcbc65a [0,3,0,0,0,0|1,0,0]=4 5326 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N f96ee0ff4135fb2f12352c29c9ef6b58 [0,3,0,0,0,0|1,0,0]=4 5327 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N d21a34a8546628d58e2ef4f7cac0e2f1 [0,3,0,0,0,0|0,0,0]=3 5328 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)O c720b7eea8ce8d1ae9f6064fc5979932 [0,3,0,0,0,0|0,0,0]=3 5329 B12R1.43 C[C@@H](OC1CCCCO1)C(=O)N 7b334087541d9ef4e274bcf7f7407bcd [0,3,0,0,0,0|1,0,0]=4 5330 B12R1.43 C[C@@H](OC1CCCCO1)C(=O)O 23b7bee2bdfdb2944095354240a827c1 [0,3,0,0,0,0|1,0,0]=4 5331 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 41fd2730805ef9088f1cf1855dddabd9 [0,3,0,0,0,0|1,0,0]=4 5332 B12R1.43 C[C@@H](OC1CCCSC1)C(=O)N 48eb95b21b101ea8781468999a3c52ea [0,3,0,0,0,0|1,0,0]=4 5333 B12R1.43 C[C@@H](OC1CCOCC1)C(=O)N 4951ddfba4d74919f32af99fa430e7bd [0,3,0,0,0,0|1,0,0]=4 5334 B12R1.43 C[C@@H](OC1CCOCC1)C(=O)O 2de971d5f7e599f4c17e62e30e501229 [0,3,0,0,0,0|1,0,0]=4 5335 B12R1.43 C[C@@H](O[C@@H]1CCCOC1)C(=O)N 8af9db26a5380a5b5711430c1bf05053 [0,3,0,0,0,0|1,0,0]=4 5336 B12R1.43 C[C@@H](O[C@H]1CCCOC1)C(=O)N 923652da8a2069aaa98deec8082bc410 [0,3,0,0,0,0|1,0,0]=4 5337 B12R1.43 C[C@H](NC1CCCCC1)C(=O)N e6a99fd085f603bbaadd9eebe2a852d2 [0,3,0,0,0,0|1,0,0]=4 5338 B12R1.43 C[C@H](OC1CCCCC1)C(=O)N 6539e9251317fda43cd6e06da5a04eb7 [0,3,0,0,0,0|0,0,0]=3 5339 B12R1.43 C[C@H](OC1CCCCC1)C(=O)O c494a8b3f0dceaba63aa9e02c3baff9c [0,3,0,0,0,0|0,0,0]=3 5340 B12R1.43 C[C@H](OC1CCCCO1)C(=O)N 0fdd45ec3a2126373eb0b26d7faac395 [0,3,0,0,0,0|1,0,0]=4 5341 B12R1.43 C[C@H](OC1CCCCO1)C(=O)O e84ef0068c5da6fbf46c2ab4029826c6 [0,3,0,0,0,0|1,0,0]=4 5342 B12R1.43 C[C@H](OC1CCCOC1)C(=O)N f41778a4810968ba2efd5b3a096a2af0 [0,3,0,0,0,0|1,0,0]=4 5343 B12R1.43 C[C@H](OC1CCCSC1)C(=O)N 8b5806358a7942cefad8265143a9e57c [0,3,0,0,0,0|1,0,0]=4 5344 B12R1.43 C[C@H](OC1CCOCC1)C(=O)N bb18cb0f4759b4ebd013cacf218f8658 [0,3,0,0,0,0|1,0,0]=4 5345 B12R1.43 C[C@H](OC1CCOCC1)C(=O)O afa6bc7dd3f71110f8a3c7f782baac1d [0,3,0,0,0,0|1,0,0]=4 5346 B12R1.43 C[C@H](O[C@@H]1CCCOC1)C(=O)N 6b75215728757f79daead5bc4ca4acc8 [0,3,0,0,0,0|1,0,0]=4 5347 B12R1.43 C[C@H](O[C@H]1CCCOC1)C(=O)N 4a9be8d5b99bc105d003d0b4e91f967e [0,3,0,0,0,0|1,0,0]=4 5348 B12R1.43 NC(=O)C(F)OC1CCCCC1 5cc9c36f745d6a33b97dfdacfce6a278 [0,3,0,0,0,0|0,0,0]=3 5349 B12R1.43 NC(=O)C(F)OC1CCCCO1 77d3c2a8999f7bf34ed11bef24ae4bf4 [0,3,0,0,0,0|1,0,0]=4 5350 B12R1.43 NC(=O)C(F)OC1CCCOC1 1a263e31adb0b34a52ab917e8ce7ca7e [0,3,0,0,0,0|1,0,0]=4 5351 B12R1.43 NC(=O)C(F)OC1CCCSC1 5fd976160cce97b4c5f372ad73455311 [0,3,0,0,0,0|1,0,0]=4 5352 B12R1.43 NC(=O)C(F)OC1CCOCC1 74ed7a02432a3a63d6f3c03754d11bf5 [0,3,0,0,0,0|1,0,0]=4 5353 B12R1.43 NC(=O)C(F)O[C@@H]1CCCOC1 f767acd00a9d274913bbfe998d2e50c8 [0,3,0,0,0,0|1,0,0]=4 5354 B12R1.43 NC(=O)C(F)O[C@H]1CCCOC1 735959ec29c6460e4e8fdd3d997f8090 [0,3,0,0,0,0|1,0,0]=4 5355 B12R1.43 O=C(O)C(F)OC1CCCCC1 8c85776423a72850481763586fdd1ad6 [0,3,0,0,0,0|0,0,0]=3 5356 B12R1.43 O=C(O)C(O)NC1CCCCC1 afb6741052de2589832a12fa4cd0155c [0,3,0,0,0,0|1,0,0]=4 5357 B12R1.118 C#CC(C=C)OC1CCCCC1 89183ade0fe5b626eefe94e2d8562e2e [0,3,0,0,0,0|1,0,0]=4 5358 B12R1.118 C=CC(C=C)OC1CCCCC1 b97300afdaffa3245d8d37a66c764732 [0,3,0,0,0,0|1,0,0]=4 5359 B12R1.118 C=CC(CC)OC1CCCCC1 0748b2f97df8f005d7aa49d251a8f744 [0,3,0,0,0,0|1,0,0]=4 5360 B12R1.118 CCC(C=O)OC1CCCCC1 a5af23e55848fcf74c3e9984dc2f2fe0 [0,3,0,0,0,0|0,0,0]=3 5361 B12R1.118 CCC(C=O)OC1CCCCO1 490b9f0b99884027a61ba5ac38ba7307 [0,3,0,0,0,0|1,0,0]=4 5362 B12R1.118 CCC(C=O)OC1CCCOC1 702860da75ebd41a82f4a7472c40bf8c [0,3,0,0,0,0|1,0,0]=4 5363 B12R1.118 CCC(C=O)OC1CCCSC1 4af3843f249454fefa7585c1689c7c32 [0,3,0,0,0,0|1,0,0]=4 5364 B12R1.118 CCC(C=O)OC1CCOCC1 c99eda7dad05d74e6f4e6e72d58920de [0,3,0,0,0,0|1,0,0]=4 5365 B12R1.118 CCC(C=O)OC1CCSCC1 e7364ba4f28587712812086f83d58135 [0,3,0,0,0,0|1,0,0]=4 5366 B12R1.118 CCC(C=O)O[C@@H]1CCCOC1 3627169c1293eab4509396ec23e50ab1 [0,3,0,0,0,0|1,0,0]=4 5367 B12R1.118 CCC(C=O)O[C@H]1CCCOC1 3890c12b7e6bd8244a162c2dbcb84fb3 [0,3,0,0,0,0|1,0,0]=4 5368 B12R1.118 N#CC(C=O)OC1CCCCC1 5db31018a6a605e72f7b2896cc48dab1 [0,3,0,0,0,0|0,0,0]=3 5369 B12R1.118 N#CC(C=O)OC1CCCCO1 100b6ee3668863b46e933b6b45af5f9b [0,3,0,0,0,0|1,0,0]=4 5370 B12R1.118 N#CC(C=O)OC1CCCOC1 0f186a0ca949f29d5dbfad048f569523 [0,3,0,0,0,0|1,0,0]=4 5371 B12R1.118 N#CC(C=O)OC1CCCSC1 ec27acfbc078b641e272a7d6fd8ab9be [0,3,0,0,0,0|1,0,0]=4 5372 B12R1.118 N#CC(C=O)OC1CCOCC1 4bd7f4f8c6b7c89ecefdeaea4ad77c85 [0,3,0,0,0,0|1,0,0]=4 5373 B12R1.118 N#CC(C=O)OC1CCSCC1 875998c083c22214502df58749503adb [0,3,0,0,0,0|1,0,0]=4 5374 B12R1.118 N#CC(C=O)O[C@@H]1CCCOC1 812e9ace8d0c1d584a68f46be2c1cbe8 [0,3,0,0,0,0|1,0,0]=4 5375 B12R1.118 N#CC(C=O)O[C@H]1CCCOC1 a5966a3cec416fb7c680fa72b1eaf47a [0,3,0,0,0,0|1,0,0]=4 5376 B12R1.118 O=CC(C=O)OC1CCCCC1 f77eac76fc41d936871c2de6bfb08bf6 [0,3,0,0,0,0|0,0,0]=3 5377 B12R1.118 O=CC(C=O)OC1CCCCO1 06b5e68c1e021134b226689fee044c75 [0,3,0,0,0,0|1,0,0]=4 5378 B12R1.118 O=CC(C=O)OC1CCCOC1 c7437a0032660ca3e2b4b976950be5c4 [0,3,0,0,0,0|1,0,0]=4 5379 B12R1.118 O=CC(C=O)OC1CCCSC1 1e9c89b3f7c6be08bc9474209149d0a8 [0,3,0,0,0,0|1,0,0]=4 5380 B12R1.118 O=CC(C=O)OC1CCOCC1 5a1f034139a97e84cd1f299da206d4c7 [0,3,0,0,0,0|1,0,0]=4 5381 B12R1.118 O=CC(C=O)OC1CCSCC1 61adc3171d0249461917a0f7ee09b69d [0,3,0,0,0,0|1,0,0]=4 5382 B12R1.118 O=CC(C=O)O[C@@H]1CCCOC1 f7b538670ee5f908c73fbcc44d5f5c96 [0,3,0,0,0,0|1,0,0]=4 5383 B12R1.118 O=CC(C=O)O[C@H]1CCCOC1 d946730d814c26cdb30769e3beb64833 [0,3,0,0,0,0|1,0,0]=4 5384 B12R1.3524 C#CC(=O)NC1(CCCCC1)C b88a5a4c9c2756477056bced925a6c66 [0,3,0,0,0,0|1,0,0]=4 5385 B12R1.3524 C=CC(=O)NC1(CCCCC1)C a36aca2b233e1d736752faedaa6125b3 [0,3,0,0,0,0|1,0,0]=4 5386 B12R1.3524 CC(C=O)NC1(CCCCC1)C 8b77466ade6362cd11b4ef6a3b3031fc [0,3,0,0,0,0|1,0,0]=4 5387 B12R1.3524 CC1(CCCCC1)NC(=O)C=O 17fc812f0f6dd99864dbba14f3b3568d [0,3,0,0,0,0|1,0,0]=4 5388 B12R1.3524 CC1(CCCCC1)NC(=O)CF 2d577df9ec8403b48227052297cedbcc [0,3,0,0,0,0|1,0,0]=4 5389 B12R1.3524 CCC(=O)NC1(CCCCC1)C 42c58f6cd8f1b7735a2ffd14621ac605 [0,3,0,0,0,0|1,0,0]=4 5390 B12R1.3524 C[C@H](C=O)NC1(CCCCC1)C fd176ef7d2d80abf5294e47b51827664 [0,3,0,0,0,0|1,0,0]=4 5391 B12R1.891 CS(=O)(=O)COC1CCCCC1 554d7d7eb5914de21bc105f621eb0dcc [0,3,0,0,0,0|0,0,1]=4 5392 B12R1.891 NS(=O)(=O)COC1CCCCC1 0bf64704df06ecb5b9368c974f7eebc6 [0,3,0,0,0,0|0,0,1]=4 5393 B12R1.891 O=S(=O)(O)COC1CCCCC1 a289cbd15abf690a341a614dac389fb7 [0,3,0,0,0,0|0,0,1]=4 5394 B12R1.3110 CC(=O)NCC1(CCCCC1)C 769cc6b9269c48dedf5106ea23b8fd98 [0,3,0,0,0,0|1,0,0]=4 5395 B12R1.3110 CC(=O)NCC1(CCCCC1)O 54370ba576527a8715ea8ee9a6afa552 [0,3,0,0,0,0|1,0,0]=4 5396 B12R1.3110 CC1(CCCCC1)NCC(=O)N 52b4772e215981aaa54003eae18925c2 [0,3,0,0,0,0|1,0,0]=4 5397 B12R1.3110 CC1(CCCCC1)NCC(=O)O ba23cb527f4df979b38c4829a0641704 [0,3,0,0,0,0|1,0,0]=4 5398 B12R1.2279 C#CC1(CCCCC1)NCC=O 2bb869c8b4e55799e7210370533633e9 [0,3,0,0,0,0|1,0,0]=4 5399 B12R1.2279 N#CC1(CCCCC1)NCC=O 0a224ef474ae386f89468ad871ba1f18 [0,3,0,0,0,0|1,0,0]=4 5400 B12R1.2279 O=CCNC1(CCCCC1)CO 62d1518a25ffa7063c30c5af566dda69 [0,3,0,0,0,0|1,0,0]=4 5401 B12R1.2279 O=CNCC1(CCCCC1)CO 6c175122e7c3b35bbfdb0e4e7b1c393d [0,3,0,0,0,0|1,0,0]=4 5402 B12R1.3862 C#CC1(CCCCC1)NC(=O)C c9dcc2564f4202e6ce423be04a27d007 [0,3,0,0,0,0|1,0,0]=4 5403 B12R1.2627 NC(=O)C1(CCCCC1)NC=O a7ae64e5446cb1772d005a2f5f13dad0 [0,3,0,0,0,0|1,0,0]=4 5404 B8R1.9 CC1CC1NCC=O 892d613b2191180ffc95c583aabe7b25 [1,0,1,1,0,0|1,0,0]=4 5405 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [1,0,1,1,0,0|1,0,0]=4 5406 B8R1.36 O=CCCNC1CC1 f4d8039ccf048cb8f4199c1b08351d63 [1,0,1,1,0,0|1,0,0]=4 5407 B8R1.36 O=CCCOC1CC1 15be0a51dabb82df31730d1a8c7404a9 [1,0,1,1,0,0|1,0,0]=4 5408 B8R1.36 O=CCNCC1CC1 5fa5000fcca08c1b84197a398701c7b4 [1,0,1,1,0,0|1,0,0]=4 5409 B8R1.36 O=CCOCC1CC1 5be38468eaa20836e46ac65ce100c945 [1,0,1,1,0,0|1,0,0]=4 5410 B8R1.36 O=CNCCC1CC1 9542a5931e0c3890dfcf8d7169cc9114 [1,0,1,1,0,0|1,0,0]=4 5411 B8R1.40 CC(C=O)NC1CC1 691e0889ed251bf8aa7c3b68c5df0349 [1,0,1,1,0,0|1,0,0]=4 5412 B8R1.40 CC(C=O)OC1CC1 23105afb975e278e4885544692b945fa [1,0,1,1,0,0|1,0,0]=4 5413 B8R1.40 CN(C=O)CC1CC1 3ebaae3355b02d7a76d4d660673266ff [1,0,1,1,0,0|1,0,0]=4 5414 B8R1.40 C[C@H](C=O)NC1CC1 b2dc22049a6d22620bf79363de94a32e [1,0,1,1,0,0|1,0,0]=4 5415 B8R1.40 C[C@H](C=O)OC1CC1 0bd45590cb6813e5f06145925c580d8f [1,0,1,1,0,0|1,0,0]=4 5416 B8R1.47 CCC1CN(C1)C=O 9645ce44596bcd4aa700308ce0a15fd2 [1,0,1,1,0,0|1,0,0]=4 5417 B8R1.16 CC1CC(N1C=O)C 68c6aa262d7808ae64f1cc90fbae1b29 [1,0,1,1,0,0|1,0,0]=4 5418 B8R1.16 C[C@@H]1C[C@@H](N1C=O)C 860cbeb088034e7b4fcbfe6227656475 [1,0,1,1,0,0|1,0,0]=4 5419 B8R1.16 C[C@@H]1C[C@H](N1C=O)C a942dc7508eed2df043adb56af93c0ca [1,0,1,1,0,0|1,0,0]=4 5420 B8R1.16 C[C@H]1C[C@@H](N1C=O)C e7d0a04d7866353e7bd9f9d9825a0417 [1,0,1,1,0,0|1,0,0]=4 5421 B8R1.37 C[C@@H](NC=O)C1CC1 6df7776a8a6084e948c30aaa6bcc8106 [1,0,1,1,0,0|1,0,0]=4 5422 B8R1.37 C[C@H](NC=O)C1CC1 a44318147b26c551e56d43565edc198d [1,0,1,1,0,0|1,0,0]=4 5423 B8R1.33 CCN(C=O)C1CC1 01cfb1cb1bee8be07aafce80b6f4fac9 [1,0,1,1,0,0|1,0,0]=4 5424 B10R1.168 CCN1CC(C1)OC(=O)C 5f6dedba961473b02837eb265e781442 [0,1,1,1,0,0|1,0,0]=4 5425 B10R1.180 C=CCOC(C)CC1CC1 b3a8f58757a472f7c20d19c621a1667a [0,1,1,1,0,0|1,0,0]=4 5426 B10R1.180 CC(CC1CC1)OCC=O 443bc2d1feb6b96db59eb8b539a94941 [0,1,1,1,0,0|0,0,0]=3 5427 B10R1.192 CC(=O)N1C(CCC1C)C 5bdc526dee7fb663e1e7a3448af025a2 [0,1,1,1,0,0|1,0,0]=4 5428 B10R1.192 CC(=O)N1[C@@H](CC[C@@H]1C)C 15e1573b00ce0d078496c9cba8e9c675 [0,1,1,1,0,0|1,0,0]=4 5429 B10R1.192 CC(=O)N1[C@@H](CC[C@H]1C)C fec3b30ad954b6897bda37f5738364d8 [0,1,1,1,0,0|1,0,0]=4 5430 B10R1.192 CC(=O)N1[C@H](CC[C@@H]1C)C 96ede583790afbd995e281c1da444aac [0,1,1,1,0,0|1,0,0]=4 5431 B10R1.266 CC(=O)OC(C)N1CCC1 149b70b614e7d01e23fd0c2d3bac13ad [0,1,1,1,0,0|1,0,0]=4 5432 B10R1.268 CC(=O)OC(C)NC1CC1 4d8a2c11c7fd1e7790bcb43580e1b3a1 [0,1,1,1,0,0|1,0,0]=4 5433 B10R1.268 CC(=O)OC(C)OC1CC1 4e780c94108aa77f44177419881a6630 [0,1,1,1,0,0|1,0,0]=4 5434 B10R1.19 CC1CCCCCN1C=O ba5fbd4c623eec64d4689114c99d9b50 [0,1,1,1,0,0|1,0,0]=4 5435 B10R1.19 CC1CCOCCN1C=O 263ee2b9c309f1e9f4da772f5bbec9c8 [0,1,1,1,0,0|1,0,0]=4 5436 B10R1.19 CC1COCCCN1C=O b121eccdc12e2f47bcf982ba930d37cf [0,1,1,1,0,0|1,0,0]=4 5437 B10R1.24 CCCCOC1CC(=O)C1 43b0c4e9c07f019289d4808f2589a0f4 [0,1,1,1,0,0|1,0,0]=4 5438 B10R1.24 CCCNCC1CC(=O)C1 69d0656586039c9a3f29e223cb7e102c [0,1,1,1,0,0|1,0,0]=4 5439 B10R1.24 CCCNCC1CC(=O)N1 91949a9791988ee6b03a2cc9aa02034c [0,1,1,1,0,0|1,0,0]=4 5440 B10R1.24 CCCNCC1CC(=O)O1 e6188be948b9442c83f4afcd8259e636 [0,1,1,1,0,0|0,0,0]=3 5441 B10R1.24 CCCOCC1CC(=O)C1 a1cbdd7bcf1e991eeb69ed53fa2d5fe5 [0,1,1,1,0,0|1,0,0]=4 5442 B10R1.24 CCCOCC1CC(=O)N1 f12a865c3d4e20fd9c0cc8bf1dc053ab [0,1,1,1,0,0|1,0,0]=4 5443 B10R1.24 CCCOCC1CC(=O)O1 98deb66a78aedaf4cee6d6522de3a253 [0,1,1,1,0,0|0,0,0]=3 5444 B10R1.24 CCCOC[C@@H]1CC(=O)N1 e71eb4334a39698bd2d109adc70a70ab [0,1,1,1,0,0|1,0,0]=4 5445 B10R1.24 CCCOC[C@H]1CC(=O)N1 5bc849df37602b2a716ac985f9970e6b [0,1,1,1,0,0|1,0,0]=4 5446 B10R1.24 COCOCC1CC(=O)O1 136c5c10a95675b6f7738f0ed6687602 [0,1,1,1,0,0|1,0,0]=4 5447 B10R1.24 O=C1CC(O1)CNCCBr fb075682211b5e34d372b9a3782780e8 [0,1,1,1,0,0|1,0,0]=4 5448 B10R1.24 O=C1CC(O1)CNCCF d10f07095dbb519fc8dd151941992524 [0,1,1,1,0,0|1,0,0]=4 5449 B10R1.24 O=C1CC(O1)CNCCI 9fc8c7c7652a6f092d3b5e16249b5056 [0,1,1,1,0,0|1,0,0]=4 5450 B10R1.24 O=C1CC(O1)CNCCO 82df5165eb76785f682a4d2d525d68b5 [0,1,1,1,0,0|1,0,0]=4 5451 B10R1.24 O=C1CC(O1)CNCCS 9a812677641d0575e358d9c777b1d45c [0,1,1,1,0,0|1,0,0]=4 5452 B10R1.24 O=C1CC(O1)COCCF 51877d1ffbce2d1102f92ec0c95994b5 [0,1,1,1,0,0|1,0,0]=4 5453 B10R1.24 O=C1CC(O1)COCCS 5af6cd8953fa5b9cccb81a415e8efe0e [0,1,1,1,0,0|1,0,0]=4 5454 B10R1.92 COCC1CC(C1)NC=O d3360e7292defc8cea8e86ccedfe07c8 [0,1,1,1,0,0|1,0,0]=4 5455 B10R1.129 CCCCNC1CC1C=O 8df4995b5604ccf6e7d24f8b2e4a5f6c [0,1,1,1,0,0|1,0,0]=4 5456 B10R1.129 CCCCOC1CC1C=O ba9386aa0e948ad420b4c73ee9de4c17 [0,1,1,1,0,0|1,0,0]=4 5457 B10R1.178 C=CCOC(C)C1CCC1 2bd67df092f970ffcf1c3daec9ccfde2 [0,1,1,1,0,0|1,0,0]=4 5458 B10R1.178 C=CCO[C@@H](C)C1CCC1 49ecbc0376b27731c25dac036fbc5e68 [0,1,1,1,0,0|1,0,0]=4 5459 B10R1.178 CC(OCC=O)C1CCC1 4c77e9b8d96f398b3d4943b4e2b4db1d [0,1,1,1,0,0|0,0,0]=3 5460 B10R1.178 CC(OCC=O)C1COC1 23feb41180d2aa0b66d5bbc3fc1282a7 [0,1,1,1,0,0|1,0,0]=4 5461 B10R1.178 C[C@@H](OCC=O)C1COC1 25a7ad457d41929de20326a39304d697 [0,1,1,1,0,0|1,0,0]=4 5462 B10R1.178 C[C@H](OCC=O)C1CCC1 7d8fb2310e26233762a30f1f46a0fe83 [0,1,1,1,0,0|0,0,0]=3 5463 B10R1.178 C[C@H](OCC=O)C1COC1 b400023bbf6f174b0ccacab3f584fbb9 [0,1,1,1,0,0|1,0,0]=4 5464 B10R1.143 CCN1CC(C1)OCC=O 6a86a195c5ca1686e77ca4a1b166cb7c [0,1,1,1,0,0|1,0,0]=4 5465 B10R1.143 COC1CC(C1)OCC=O d22b4d1d1f72b5dd1c2220a9934f3bef [0,1,1,1,0,0|1,0,0]=4 5466 B10R1.143 CO[C@H]1C[C@@H](C1)OCC=O d5c4a06587367cce81c3896f2b9a0fc1 [0,1,1,1,0,0|1,0,0]=4 5467 B10R1.143 CO[C@H]1C[C@H](C1)OCC=O dd0fa97425b935095b6f343821d65373 [0,1,1,1,0,0|1,0,0]=4 5468 B10R1.143 O=CCO[C@H]1C[C@H](C1)CF 4e1cf11d9fe6cf593e79165abf96804b [0,1,1,1,0,0|1,0,0]=4 5469 B10R1.150 CCN(C)CC1CC(=O)O1 cd7c68f44456e7ffcc3ee0f82f465e37 [0,1,1,1,0,0|1,0,0]=4 5470 B10R1.140 CC(NC=O)[C@H]1C[C@H](C1)O 8435c6d0d6b9793c9d7bbd92ef57f0c9 [0,1,1,1,0,0|1,0,0]=4 5471 B10R1.67 O=CN[C@H](CO)C1CCC1 1b15944951ec8a106a19b8591850d47f [0,1,1,1,0,0|1,0,0]=4 5472 B10R1.82 CC(C)OCC1CC(=O)O1 65fb603e5072f8e8b17b0bea65b4360d [0,1,1,1,0,0|1,0,0]=4 5473 B10R1.200 CC(C)(NC=O)C1CCC1 8904c6a46510443c61acc5cd9f46479b [0,1,1,1,0,0|1,0,0]=4 5474 B10R1.39 CC(C)C1CCCN1C=O a448684753f58e32bf4155fc5eab5588 [0,1,1,1,0,0|1,0,0]=4 5475 B10R1.39 CC(C)[C@@H]1CCCN1C=O b14dc1c99a9a0ece465a0e33fdce2c77 [0,1,1,1,0,0|1,0,0]=4 5476 B10R1.39 CC(O)C1CCCN1C=O 54d2b2f19dd5fa36926cb86035a8a71f [0,1,1,1,0,0|1,0,0]=4 5477 B10R1.39 CC(O)[C@H]1CCCN1C=O 5e8a1661e892d22efa8c886306ca6956 [0,1,1,1,0,0|1,0,0]=4 5478 B10R1.39 CCC1CCCN1C(=O)C af5184853a2fc139326aceb69f54587c [0,1,1,1,0,0|1,0,0]=4 5479 B10R1.39 CC[C@@H]1CCCN1C(=O)C c75eb2201906f8faab97d30a9bca11c4 [0,1,1,1,0,0|1,0,0]=4 5480 B10R1.39 C[C@H](O)[C@@H]1CCCN1C=O 99ef340b506fc5d9c4d43472ebbb0561 [0,1,1,1,0,0|1,0,0]=4 5481 B10R1.56 CC1CC1COCCC=O 55f8d2ad65544aff72d910d22379d1b9 [0,1,1,1,0,0|1,0,0]=4 5482 B10R1.56 CC1CC1NCCCC=O caf76d238d7fa8f7d9b4fb5800a112f9 [0,1,1,1,0,0|1,0,0]=4 5483 B10R1.56 C[C@@H]1C[C@H]1COCCC=O 7c94b9113a14646595b2cdbf9334eb37 [0,1,1,1,0,0|1,0,0]=4 5484 B10R1.56 C[C@H]1C[C@@H]1COCCC=O 697809c60b2d02b6e4fb61dfdaccec4e [0,1,1,1,0,0|1,0,0]=4 5485 B10R1.56 C[C@H]1C[C@H]1COCCC=O 0e2f30616c5389fe26dc5e1447da5a3b [0,1,1,1,0,0|1,0,0]=4 5486 B10R1.73 CC(=O)OCNC1CC1C 2cbd266e24269da7df58cb98d6a2fa19 [0,1,1,1,0,0|1,0,0]=4 5487 B10R1.117 CC(C)OCC1COC1=O dbb42de7ffc2373f0d8c8d2f136f3f97 [0,1,1,1,0,0|1,0,0]=4 5488 B10R1.126 CC(=O)OCCNC1CC1 e7393563964eae44460d17048d50844b [0,1,1,1,0,0|1,0,0]=4 5489 B10R1.126 CC(=O)OCCOC1CC1 8181877d26885747f028e5b481568bf5 [0,1,1,1,0,0|1,0,0]=4 5490 B10R1.126 CC(=O)OCNCC1CC1 cfc076dc9b69f7a91c287c46fb53258c [0,1,1,1,0,0|1,0,0]=4 5491 B10R1.126 CC(=O)OCOCC1CC1 3bd8958ecee1854fce2ee28bba8e49b2 [0,1,1,1,0,0|1,0,0]=4 5492 B10R1.127 CC(=O)NCCC1CCC1 3190e402a675f8afeaa5825a170e0c31 [0,1,1,1,0,0|1,0,0]=4 5493 B10R1.127 CC(=O)OCCN1CCC1 72c3a138347a104f636a4fcf06f333e7 [0,1,1,1,0,0|1,0,0]=4 5494 B10R1.127 CC(=O)OCNC1CCC1 aeeb0c95153dc603162df6a7812120ec [0,1,1,1,0,0|1,0,0]=4 5495 B10R1.127 CC(=O)OCOC1CCC1 289ae414f77a88378bfc645b19030fcf [0,1,1,1,0,0|1,0,0]=4 5496 B10R1.177 C=CCOCCCC1CC1 6c9e18dd43a8a9aadec80c1a6af0f729 [0,1,1,1,0,0|1,0,0]=4 5497 B10R1.177 C=COCCCNC1CC1 8c5eea78ed56237140676e2e7b4826d2 [0,1,1,1,0,0|1,0,0]=4 5498 B10R1.177 C=COCCNCC1CC1 8ca8ebe40f997e27460188ffee2971f0 [0,1,1,1,0,0|1,0,0]=4 5499 B10R1.177 C=COCCOCC1CC1 988692dc8ee30e6a051b8a2987301860 [0,1,1,1,0,0|1,0,0]=4 5500 B10R1.177 O=CCCCCNC1CC1 7d0c3bc5a6f96e5157667fd4ca7bd2a5 [0,1,1,1,0,0|1,0,0]=4 5501 B10R1.177 O=CCCCCOC1CC1 94afda82c30bc7d7ed6e37f8a2349b23 [0,1,1,1,0,0|1,0,0]=4 5502 B10R1.177 O=CCCCNCC1CC1 b2380a80fc5b4ead8432d0f10d933ccf [0,1,1,1,0,0|1,0,0]=4 5503 B10R1.177 O=CCCCOCC1CC1 cb2b3caa375b496b6158359f8e743fe9 [0,1,1,1,0,0|1,0,0]=4 5504 B10R1.177 O=CCCNCCC1CC1 a0de110a57e3b1968e9ee51efdcfd115 [0,1,1,1,0,0|1,0,0]=4 5505 B10R1.177 O=CCCOCCC1CC1 36dc8642d1b7adba1b2590f3acf0ea3f [0,1,1,1,0,0|1,0,0]=4 5506 B10R1.177 O=CCOCCCC1CC1 5265b0eec04bb0b3640c54b67399dad1 [0,1,1,1,0,0|0,0,0]=3 5507 B10R1.177 O=CCOCCNC1CC1 b37ef3b47eb3b773d93b5ea01c2d0d21 [0,1,1,1,0,0|1,0,0]=4 5508 B10R1.177 O=CCOCCOC1CC1 f996785f1a393fbde1c322ac23011b5c [0,1,1,1,0,0|1,0,0]=4 5509 B10R1.177 O=CNCCOCC1CC1 d76d6fcb247a6ccbee5c2da14b2ad107 [0,1,1,1,0,0|1,0,0]=4 5510 B10R1.177 O=CNCCSCC1CC1 69824f4f5a6dd43d48b916b147827f4c [0,1,1,1,0,0|1,0,0]=4 5511 B10R1.177 O=COCCOCC1CC1 e4c85e29f598c207e1ea14f3f3626bcb [0,1,1,1,0,0|0,0,0]=3 5512 B10R1.348 CC(=O)N1CCCCCC1 bd008ed1d89241423499eab40b9ddd3a [0,1,1,1,0,0|1,0,0]=4 5513 B10R1.37 CCCCN[C@H]1CNC1=O 519b31ae31d9b4d5818ed744814c590e [0,1,1,1,0,0|1,0,0]=4 5514 B10R1.37 CCCCOC1CCC1=O 54fa09992c0cf82b2f331559841e5a88 [0,1,1,1,0,0|1,0,0]=4 5515 B10R1.37 CCCNCC1COC1=O 99ee514ca2ac33542134281e9e088097 [0,1,1,1,0,0|0,0,0]=3 5516 B10R1.37 CCCOCC1CCC1=O 19da4a17dced4d587116c3b122806666 [0,1,1,1,0,0|1,0,0]=4 5517 B10R1.37 CCCOCC1COC1=O 0e5edb7b715011b8da6e7e8dfcb86505 [0,1,1,1,0,0|0,0,0]=3 5518 B10R1.37 CCOCCC1CCC1=O fecdaedd24e92cffd0bcb6852fce52db [0,1,1,1,0,0|1,0,0]=4 5519 B10R1.37 CN1CCC1COCC=O d280ef2e2fb8ddb21a78ecc3a09a170c [0,1,1,1,0,0|1,0,0]=4 5520 B10R1.37 CN1CC[C@@H]1COCC=O ca38fcedd039f3e8fa959cfdfd28eb0e [0,1,1,1,0,0|1,0,0]=4 5521 B10R1.37 CN1CC[C@H]1COCC=O 93401576824df0113a724b403db32d10 [0,1,1,1,0,0|1,0,0]=4 5522 B10R1.37 COCOCC1COC1=O 8447cdecc5be02190bc4bcf4681c71fb [0,1,1,1,0,0|1,0,0]=4 5523 B10R1.37 C[C@@H]1CC[C@@H]1NCCC=O 3f28fd4649d50ea0faa997c4f4d11609 [0,1,1,1,0,0|1,0,0]=4 5524 B10R1.37 C[C@@H]1CC[C@H]1NCCC=O 8325757333694e2c738d54f0463c8257 [0,1,1,1,0,0|1,0,0]=4 5525 B10R1.37 O=C1OCC1CNCCBr 00c63f62df447a95a9f5061e023a4288 [0,1,1,1,0,0|1,0,0]=4 5526 B10R1.37 O=C1OCC1CNCCF 400f004ea37422db5138f84e85474b8f [0,1,1,1,0,0|1,0,0]=4 5527 B10R1.37 O=C1OCC1CNCCI c2a643b76d38fac511b7e074587f7d5b [0,1,1,1,0,0|1,0,0]=4 5528 B10R1.37 O=C1OCC1CNCCO 58ed7afe40629b8127e1254755fb5ca9 [0,1,1,1,0,0|1,0,0]=4 5529 B10R1.37 O=C1OCC1CNCCS 9fecd7fdd2218e6ad13c665154157031 [0,1,1,1,0,0|1,0,0]=4 5530 B10R1.37 O=C1OCC1COCCF 587ebaea809678883294d40b75d23c16 [0,1,1,1,0,0|1,0,0]=4 5531 B10R1.37 O=C1OCC1COCCS 3b58a88d7ccf6359e223699d0130cfbe [0,1,1,1,0,0|1,0,0]=4 5532 B10R1.37 O=CCOCC1CCC1F a1e17480b7d9a820af7d254e4ac6907d [0,1,1,1,0,0|1,0,0]=4 5533 B10R1.57 C=CCOCCC1CCC1 4966a32a35c076fd3068286c480b3b57 [0,1,1,1,0,0|1,0,0]=4 5534 B10R1.57 C=COCCNC1CCC1 e99901dab514b46cba19f354137303b2 [0,1,1,1,0,0|1,0,0]=4 5535 B10R1.57 C=COCCOC1CCC1 06d8f8bb807a563f8dfe8557a8b50383 [0,1,1,1,0,0|1,0,0]=4 5536 B10R1.57 O=CCCCCN1CCC1 efabd201ca0889fe189f910840ad6694 [0,1,1,1,0,0|1,0,0]=4 5537 B10R1.57 O=CCCCNC1CCC1 8c40be7bf22592808c74cbae674ae56c [0,1,1,1,0,0|1,0,0]=4 5538 B10R1.57 O=CCCCOC1CCC1 ef6a3a09e5bc93f748780b3e9ef6adb7 [0,1,1,1,0,0|1,0,0]=4 5539 B10R1.57 O=CCCNCC1CCC1 5f161ede974dbc9955c1d413516e2a68 [0,1,1,1,0,0|1,0,0]=4 5540 B10R1.57 O=CCCOCC1CCC1 ce41c812f15f51f72cc4189e18dac675 [0,1,1,1,0,0|1,0,0]=4 5541 B10R1.57 O=CCNCCC1CCC1 23a0103ded88bd1387022f00098248bb [0,1,1,1,0,0|1,0,0]=4 5542 B10R1.57 O=CCOCCC1CCC1 ddc4cfe4fbdf0c6ff4aade8ebc8efd64 [0,1,1,1,0,0|0,0,0]=3 5543 B10R1.57 O=CCOCCC1CCO1 2ec01d3a71824b25a53c6cd551b62aba [0,1,1,1,0,0|1,0,0]=4 5544 B10R1.57 O=CCOCCC1COC1 f93cbc42de2eb6bc75b0d94bd6a6d025 [0,1,1,1,0,0|1,0,0]=4 5545 B10R1.57 O=CCOCCN1CCC1 6a401cd80f3f0e79aeb96189f9c51bb7 [0,1,1,1,0,0|1,0,0]=4 5546 B10R1.57 O=CCOCC[C@@H]1CCO1 98a3da5d3d5155d99c899fbd139e3876 [0,1,1,1,0,0|1,0,0]=4 5547 B10R1.57 O=CCOCC[C@H]1CCO1 c2dff26a9aecabee59b2110fe70ef2cf [0,1,1,1,0,0|1,0,0]=4 5548 B10R1.57 O=CNCCCN1CCC1 270e376fbab3827b0e01e7ca7636dbc9 [0,1,1,1,0,0|1,0,0]=4 5549 B10R1.57 O=CNCCOC1CCC1 8a48f867cca2ae885da230292a5dd1b3 [0,1,1,1,0,0|1,0,0]=4 5550 B10R1.57 O=COCCOC1CCC1 c295c705e21474d466a2c694bc5e1a88 [0,1,1,1,0,0|0,0,0]=3 5551 B10R1.57 O=COCCOC1COC1 a41a77d78a91c4ec17da595d30d429cc [0,1,1,1,0,0|1,0,0]=4 5552 B10R1.151 CN(C=O)CCC1CCC1 5be8ea4668a6fc3b9348938a836d0e2b [0,1,1,1,0,0|1,0,0]=4 5553 B10R1.463 CCN(C)CC1COC1=O f3c9e7f92b16c95f8cf277730903962e [0,1,1,1,0,0|1,0,0]=4 5554 B10R1.374 CCC(NC(=O)C)C1CC1 c7fed998bde0005b2c2b8636bb16d346 [0,1,1,1,0,0|1,0,0]=4 5555 B10R1.397 COCC(NC=O)C1CC1 18b9c0f4df9776ab675225a9ae8362c4 [0,1,1,1,0,0|1,0,0]=4 5556 B10R1.397 O=CNC(CCO)C1CC1 0e421331e736f543479f123e89a2ac93 [0,1,1,1,0,0|1,0,0]=4 5557 B10R2.99 O=CN1CC2CCC1C2 fb6b7e0ef92e42506c098017125b9993 [0,0,1,2,0,0|1,0,0]=4 5558 B10R2.99 O=CN1C[C@@H]2CC[C@H]1C2 bac69a458f156f15a1ea0f7ccd77ffe5 [0,0,1,2,0,0|1,0,0]=4 5559 B10R2.99 O=CN1C[C@H]2CC[C@@H]1C2 01fb5bef17589312025e69c77444e0a6 [0,0,1,2,0,0|1,0,0]=4 5560 B10R2.93 O=CN1CC2CCC2C1 7b0c64dcb7089babd3da929e11b61c77 [0,0,1,2,0,0|1,0,0]=4 5561 B10R2.371 O=CNC1(CC1)C2CC2 87c575221a3cd7395373de5284198d9d [0,0,1,2,0,0|1,0,0]=4 5562 B10R2.351 CC(=O)N1C2C1CCC2 9699143556b5080ef759cce3beead167 [1,1,0,1,0,0|1,0,0]=4 5563 B10R2.355 CC(=O)N1CCC2C1C2 f3340c38860d972821c7489d37f3ae38 [1,1,0,1,0,0|1,0,0]=4 5564 B10R2.357 CC(=O)N1CC2CC2C1 ada3276d04fec9a4b6db82841667a72e [1,1,0,1,0,0|1,0,0]=4 5565 B12R2.144 O=CNC1CCC2C1COC2 f7fb1be0cf5baaec9ad288c65ba0c709 [0,0,0,1,0,2|1,0,0]=4 5566 B12R2.144 O=CNC1CCN2C1CCC2 5722ae6cd6d73f4ccf2457ab54635cff [0,0,0,1,0,2|1,0,0]=4 5567 B12R2.144 O=CNC1CCN2[C@@H]1CCC2 daa4cea8964991692521df058eac93e3 [0,0,0,1,0,2|1,0,0]=4 5568 B12R2.144 O=CN[C@@H]1CC[C@@H]2[C@H]1CCC2 579a1f6773c85c063416b7e3295af866 [0,0,0,1,0,2|1,0,0]=4 5569 B12R2.144 O=CN[C@@H]1CO[C@@H]2[C@H]1CCO2 aeedb46acfdf8a74f4036f6c12787d8c [0,0,0,1,0,2|1,0,0]=4 5570 B12R2.144 O=CN[C@H]1CC[C@H]2[C@@H]1CCC2 eeb0b3c458faaafee27f068cdad3aa34 [0,0,0,1,0,2|1,0,0]=4 5571 B12R2.144 O=CN[C@H]1CO[C@@H]2[C@H]1CCO2 aed12a904db329e0fa8f1a465117271d [0,0,0,1,0,2|1,0,0]=4 5572 B12R2.148 O=CNC1CCC2CC2CC1 909bdbb2802ab66176b86f653ab3c07f [0,0,0,1,0,2|1,0,0]=4 5573 B12R2.4823 O=CN1C2CCCC1COC2 6c1a1fdfea316e98c2f4821ec710e01a [0,0,0,1,0,2|1,0,0]=4 5574 B12R2.4823 O=CN1[C@H]2CCC[C@@H]1CCC2 05aa0a7271c370a8fcd3b132eedb4043 [0,0,0,1,0,2|1,0,0]=4 5575 B12R2.140 O=CCN1C2CCCCC1C2 de527b84997b334e0005ad69fd515b2b [0,1,0,1,0,1|1,0,0]=4 5576 B12R2.40 O=CNC1CC2CCC(C1)O2 539724c44ebcdf0e501fc08c56492935 [0,1,0,1,0,1|1,0,0]=4 5577 B12R2.40 O=CN[C@H]1C[C@H]2CC[C@@H](C1)O2 c999d9e0fbadbaf299b11161bcca7114 [0,1,0,1,0,1|1,0,0]=4 5578 B12R2.2257 CN1CC2CCC(C1)N2C=O affb034fb227af66aef24b7bf643aa50 [0,1,0,1,0,1|1,0,0]=4 5579 B12R2.2257 O=CN1C2CCC1CC(C2)O 17d16273c56ceb8f758bf13a152f851e [0,1,0,1,0,1|1,0,0]=4 5580 B12R2.2257 O=CN1[C@@H]2CC[C@H]1CC(=O)C2 415c18973b624f618a8f522a78792670 [0,1,0,1,0,1|1,0,0]=4 5581 B12R2.2257 O=CN1[C@@H]2CC[C@H]1CC(C2)O 6a43d748a42fa75ba4da0180a3685d4e [0,1,0,1,0,1|1,0,0]=4 5582 B12R2.2257 O=CN1[C@@H]2CC[C@H]1C[C@@H](C2)F 5a18c7afd897aca3ebfeffcb0a4f3189 [0,1,0,1,0,1|1,0,0]=4 5583 B12R2.2257 O=CN1[C@@H]2CC[C@H]1C[C@@H](C2)O 50aad095170228989e8fc49d6db42efb [0,1,0,1,0,1|1,0,0]=4 5584 B12R2.2257 O=CN1[C@@H]2CC[C@H]1C[C@H](C2)O f4a3c27b37c294bfb578be6f58cefb03 [0,1,0,1,0,1|1,0,0]=4 5585 B12R2.4975 CN1CCC2(CC2C1)NC=O 4da8c9a405e6e3327ee11de39bb38285 [0,1,0,1,0,1|1,0,0]=4 5586 B12R2.165 O=CCN1C2CCC1COC2 9b394e5e8c24409caf2811fc3d27dcea [0,1,0,1,0,1|1,0,0]=4 5587 B12R2.165 O=CCN1C2CCCC1CC2 462941bccde1a7634736244baa418a9c [0,1,0,1,0,1|1,0,0]=4 5588 B12R2.165 O=CCN1[C@@H]2CCC[C@H]1CC2 fa64bd6c97bfe27cf063150b52bd8744 [0,1,0,1,0,1|1,0,0]=4 5589 B12R2.165 O=CCN1[C@@H]2CC[C@H]1COC2 b3f9db1ad6c7a60a9b6e39450f6a5b1b [0,1,0,1,0,1|1,0,0]=4 5590 B12R2.165 O=CNC1C2CCC1COC2 4ea645bef7cdf8fda41e15cbb56f372e [0,1,0,1,0,1|1,0,0]=4 5591 B12R2.270 O=CCNC1CCC2CC2C1 3cba600b5f9d9615535159bc72e3d555 [0,1,0,1,0,1|1,0,0]=4 5592 B12R2.270 O=CCN[C@@H]1CCC2CC2C1 4b840d23b10859c3dbef722b523b1ee2 [0,1,0,1,0,1|1,0,0]=4 5593 B12R2.270 O=CCN[C@H]1CCC2CC2C1 991a7f434a0920d06ff330206d983370 [0,1,0,1,0,1|1,0,0]=4 5594 B12R2.1364 CC(=O)N1C2CCCCC1C2 7712d68b258cbf53f140e0bdae777c29 [0,1,0,1,0,1|1,0,0]=4 5595 B12R2.1365 CC(=O)N1C2CCC1COC2 d8e78cef089a427db5831e905eea1521 [0,1,0,1,0,1|1,0,0]=4 5596 B12R2.1365 CC(=O)N1C2CCCC1CC2 6b263b7a690b7bbf101558a0ac986d75 [0,1,0,1,0,1|1,0,0]=4 5597 B12R2.1365 CC(=O)N1[C@@H]2CCC[C@H]1CC2 f3227648e61c6695cbcfb1064f70e6cc [0,1,0,1,0,1|1,0,0]=4 5598 B12R2.1365 CC(=O)N1[C@@H]2CC[C@H]1COC2 02ffe7d7234cb616893011debad6d12a [0,1,0,1,0,1|1,0,0]=4 5599 B12R2.1655 CC(=O)NC1CCC2CC2C1 1f10568d5cdd66d133d40b970be1e62e [0,1,0,1,0,1|1,0,0]=4 5600 B12R2.1655 CC(=O)N[C@@H]1CCC2CC2C1 1fd4e4de954af44339642f2a7ebc6fb6 [0,1,0,1,0,1|1,0,0]=4 5601 B12R2.1655 CC(=O)N[C@H]1CCC2CC2C1 fbc1d31afabfc51b04e3af7f0dd2d84c [0,1,0,1,0,1|1,0,0]=4 5602 B12R2.186 O=CCN1CC2CCC1CC2 e3d27e80abfeb15effcd30798cd09cb2 [0,2,0,1,0,0|1,0,0]=4 5603 B12R2.186 O=CCN1C[C@H]2CC[C@@H]1CC2 7679eaf178ea4662b974266255624583 [0,2,0,1,0,0|1,0,0]=4 5604 B12R2.1392 CC(=O)N1CC2CCC1CC2 9aee264793048aaf5b43fc3dc4a1d29b [0,2,0,1,0,0|1,0,0]=4 5605 B12R2.1392 CC(=O)N1C[C@H]2CC[C@@H]1CC2 9cd8aa28883b0558025424224f780c3c [0,2,0,1,0,0|1,0,0]=4 5606 B12R2.4337 O=CNC1CCC2(CC1)CC2 a95bdea6ac9f1378a50d48dbb5204f21 [0,2,0,1,0,0|1,0,0]=4 5607 B12R2.5724 O=CNC12CCC(CC1)CC2 212a3655cde8d835695767126a9ff1ae [0,2,0,1,0,0|1,0,0]=4 5608 B12R2.338 O=CN1CC2CCC1CC2O 46d324813bdfb53dedc87e05b915937e [0,2,0,1,0,0|1,0,0]=4 5609 B12R2.338 O=CN1C[C@H]2CCC1C[C@@H]2O 19c980ac0b893bdeaa8750462ddb3fdd [0,2,0,1,0,0|1,0,0]=4 5610 B12R2.32 O=CN1CC2CCCCC2C1 e6404e37d55d89df120225732cff3acd [0,2,0,1,0,0|1,0,0]=4 5611 B12R2.32 O=CN1C[C@H]2CCCC[C@H]2C1 da4176de5bf773a93321105778366c61 [0,2,0,1,0,0|1,0,0]=4 5612 B12R2.2336 C=CCOC1CC2CCC1C2 deef7f17aa454041e90b3a0ea94be88d [0,2,0,1,0,0|1,0,0]=4 5613 B12R2.2336 C=CCOC1C[C@@H]2CC[C@H]1C2 a66ffd90439234ee73c0cf52729ef7e4 [0,2,0,1,0,0|1,0,0]=4 5614 B12R2.2336 C=CCO[C@@H]1C[C@H]2CC[C@@H]1C2 2095defeaa83d86234d5a8a4a9f94848 [0,2,0,1,0,0|1,0,0]=4 5615 B12R2.2336 C=CCO[C@H]1C[C@@H]2CC[C@H]1C2 f6eacbfd45f308d2e811b2b3483bb6b9 [0,2,0,1,0,0|1,0,0]=4 5616 B12R2.2336 C=CCO[C@H]1C[C@H]2CC[C@@H]1C2 fac048023516b98ded083792a1bebf0a [0,2,0,1,0,0|1,0,0]=4 5617 B12R2.2336 O=CCNC1CC2CCC1C2 69dfd2c8c32e59be771e41b484e90264 [0,2,0,1,0,0|1,0,0]=4 5618 B12R2.2336 O=CCNC1C[C@@H]2CC[C@H]1C2 a22aab198ab1807e52c4bda738bce536 [0,2,0,1,0,0|1,0,0]=4 5619 B12R2.2336 O=CCN[C@@H]1C[C@H]2CC[C@@H]1C2 881b56a099ad0cdd1d07f5cdaa1c5642 [0,2,0,1,0,0|1,0,0]=4 5620 B12R2.2336 O=CCN[C@H]1C[C@H]2CC[C@@H]1C2 d9f65ee56ecc0bcbdcd7ec3af6d2df35 [0,2,0,1,0,0|1,0,0]=4 5621 B12R2.2336 O=CCOC1CC2CCC1C2 fbba9ef282b27bf22e7f9fe23c59bc82 [0,2,0,1,0,0|0,0,0]=3 5622 B12R2.2336 O=CCOC1CN2CCC1C2 954e063174a8e39c03f1b5bacc593ce0 [0,2,0,1,0,0|1,0,0]=4 5623 B12R2.2336 O=CCOC1C[C@@H]2CC[C@H]1C2 587329c6e859ebd21eb173c322155c56 [0,2,0,1,0,0|0,0,0]=3 5624 B12R2.2336 O=CCO[C@@H]1C[C@H]2CC[C@@H]1C2 7b49900a6c2451d91b0018ed22d1353e [0,2,0,1,0,0|0,0,0]=3 5625 B12R2.2336 O=CCO[C@H]1C[C@@H]2CC[C@H]1C2 53e8672dafe339866afff4bf8937f476 [0,2,0,1,0,0|0,0,0]=3 5626 B12R2.2336 O=CCO[C@H]1C[C@H]2CC[C@@H]1C2 382439d31d7441beae7792c4549ecfce [0,2,0,1,0,0|0,0,0]=3 5627 B12R2.2336 O=CNC[C@@H]1C[C@@H]2CC[C@H]1O2 b49a9219074ec85b59b3faa605bc0035 [0,2,0,1,0,0|1,0,0]=4 5628 B12R2.2336 O=CNC[C@H]1C[C@@H]2CC[C@H]1O2 39281f47fb3bfc2cd31eb0baf8b40453 [0,2,0,1,0,0|1,0,0]=4 5629 B12R2.1 O=CN1CCC2C1CCCC2 66b697110c0d73f36fba163d2ede2927 [0,2,0,1,0,0|1,0,0]=4 5630 B12R2.259 O=CNC1CCCCC12CC2 8684ab4644e6be4f33b1d0bad5150c61 [0,2,0,1,0,0|1,0,0]=4 5631 B12R2.1661 CC(=O)NC1CC2CCC1C2 ca1ff355e0a3d1999cec0a5f01a866a4 [0,2,0,1,0,0|1,0,0]=4 5632 B12R2.1661 CC(=O)NC1C[C@@H]2CC[C@H]1C2 1087b184933662258db30b0555df61cb [0,2,0,1,0,0|1,0,0]=4 5633 B12R2.1661 CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 d5e0a8a539c7f9f9d0afdd0f0dac06c5 [0,2,0,1,0,0|1,0,0]=4 5634 B12R2.1661 CC(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 0b24f9d0dcfd6b52617aa80c986e306c [0,2,0,1,0,0|1,0,0]=4 5635 B12R2.3190 CC(=O)N1CC2C1CCCC2 fa5b8ab8b67221d89a6c9025f0328361 [0,2,0,1,0,0|1,0,0]=4 5636 B12R2.3190 CC(=O)N1C[C@@H]2[C@H]1CCCC2 c87ab3ff0f5b73c1991364e58309adcd [0,2,0,1,0,0|1,0,0]=4 5637 B12R2.4802 O=CN1C2CCC1C(C2)(F)F e3d490cd486b9f25fa6ddbab4f7d1267 [0,2,0,1,0,0|1,0,0]=4 5638 B12R2.1519 C=CCOC1CC2CC(C2)C1 3b2974dc041765786dba8ff807db3d89 [0,2,0,1,0,0|1,0,0]=4 5639 B12R2.1519 O=CCOC1CC2CC(C2)C1 47dfa4079427af8bb488b8bc35f5be04 [0,2,0,1,0,0|0,0,0]=3 5640 B12R2.1391 CC(=O)N1CC2CCCC1C2 a27539221de0a2662d4446891994fe6a [0,2,0,1,0,0|1,0,0]=4 5641 B12R2.5015 O=CNC12CCCC(C1)(C2)O d66ec562ed17008cdaff05991c841992 [0,2,0,1,0,0|1,0,0]=4 5642 B12R2.264 O=CCCN1C2CCC1CC2 b62dfc00ab47065d1f8306f15d0bddcb [0,2,0,1,0,0|1,0,0]=4 5643 B12R2.264 O=CCCN1[C@H]2CC[C@@H]1CC2 04940ed3ff0029b28fae4aba8d022521 [0,2,0,1,0,0|1,0,0]=4 5644 B12R2.1425 O=CCOCC12COCC1C2 e0495716b8929d717e7c96cd2aefbe4a [0,2,0,1,0,0|1,0,0]=4 5645 B12R2.1425 O=CCOC[C@@]12COC[C@@H]1C2 3e65cf131abfc6616a275ca40d738a40 [0,2,0,1,0,0|1,0,0]=4 5646 B12R2.1425 O=CCOC[C@]12COC[C@H]1C2 bd50306d4bb58f149528d40c0cfcc0bb [0,2,0,1,0,0|1,0,0]=4 5647 B12R2.1435 O=CCOCC1C2C1COC2 c20f9639525f349693a4cd37d02e0d69 [0,2,0,1,0,0|1,0,0]=4 5648 B12R2.1435 O=CCOCC1C2C1OCC2 b67ecb9254eed77965679ce20b793538 [0,2,0,1,0,0|1,0,0]=4 5649 B12R2.1435 O=CCOC[C@@H]1[C@@H]2[C@H]1COC2 4001928a735aab803458494c96e6c0a9 [0,2,0,1,0,0|1,0,0]=4 5650 B12R2.1974 C/C=C/COC1CCC2C1C2 dd529ca736788c3b57a68468e1961dd0 [0,2,0,1,0,0|1,0,0]=4 5651 B12R2.1974 C/C=C/CO[C@@H]1CC[C@@H]2[C@H]1C2 c30cab088dca21c46f99544189ce0054 [0,2,0,1,0,0|1,0,0]=4 5652 B12R2.1974 C/C=C\COC1CCC2C1C2 103a76da68b32c81a424ed9557da7698 [0,2,0,1,0,0|1,0,0]=4 5653 B12R2.1974 C/C=C\CO[C@@H]1CC[C@@H]2[C@H]1C2 26ba2edd8e128fa234710726fa741b51 [0,2,0,1,0,0|1,0,0]=4 5654 B12R2.1974 C=CCCOC1CCC2C1C2 3c619017e33069d818b1963c9a90cd51 [0,2,0,1,0,0|1,0,0]=4 5655 B12R2.1974 C=CCCO[C@@H]1CC[C@@H]2[C@H]1C2 9b1a3c66f6cd6ecec2570fa5ef7dfbff [0,2,0,1,0,0|1,0,0]=4 5656 B12R2.1974 Cl/C=C/COC1CCC2C1C2 84a0849468031bda4d08084204addd64 [0,2,0,1,0,0|1,0,0]=4 5657 B12R2.1974 Cl/C=C/CO[C@@H]1CC[C@@H]2[C@H]1C2 8083cfe65b3821fdf9cbf52eeb66ae3d [0,2,0,1,0,0|1,0,0]=4 5658 B12R2.1974 Cl/C=C\COC1CCC2C1C2 4fee734a6e993b9564393ae9b2e29d3e [0,2,0,1,0,0|1,0,0]=4 5659 B12R2.1974 Cl/C=C\CO[C@@H]1CC[C@@H]2[C@H]1C2 72e80867fedab6aa180e264d38f536e9 [0,2,0,1,0,0|1,0,0]=4 5660 B12R2.1974 O=CCCOC1CCC2C1C2 0805173a6b183dc1503a44956b9fd9b3 [0,2,0,1,0,0|0,0,0]=3 5661 B12R2.1974 O=CCCO[C@@H]1CC[C@@H]2[C@H]1C2 5850986c2561f7b2b2e00645738b811b [0,2,0,1,0,0|0,0,0]=3 5662 B12R2.2110 C/C=C/COC1CC2CC2C1 02474030644a9b878de9c06efc37ed4a [0,2,0,1,0,0|1,0,0]=4 5663 B12R2.2110 C/C=C/COC1C[C@@H]2C[C@@H]2C1 1775a211f7358af76a0ef932099cf275 [0,2,0,1,0,0|1,0,0]=4 5664 B12R2.2110 C/C=C/CO[C@@H]1C[C@@H]2C[C@@H]2C1 bd4d8bc0a5aaf47eda8e00ec00423ee0 [0,2,0,1,0,0|1,0,0]=4 5665 B12R2.2110 C/C=C/CO[C@H]1C[C@@H]2C[C@@H]2C1 cdf503a1c1bf266ca37a3f974714a7f8 [0,2,0,1,0,0|1,0,0]=4 5666 B12R2.2110 C/C=C\COC1CC2CC2C1 035fd201e698ee08a22505acf58bb9dc [0,2,0,1,0,0|1,0,0]=4 5667 B12R2.2110 C/C=C\COC1C[C@@H]2C[C@@H]2C1 7de15e56fb5e8821ff2b2a9edc691a9b [0,2,0,1,0,0|1,0,0]=4 5668 B12R2.2110 C/C=C\CO[C@@H]1C[C@@H]2C[C@@H]2C1 14443c963690cf3aa54348202f78315b [0,2,0,1,0,0|1,0,0]=4 5669 B12R2.2110 C/C=C\CO[C@H]1C[C@@H]2C[C@@H]2C1 efca623bec2efd1601b0bd6a9f9db454 [0,2,0,1,0,0|1,0,0]=4 5670 B12R2.2110 C=CCCOC1CC2CC2C1 c885b93b75d439cce1e6e651495caf03 [0,2,0,1,0,0|1,0,0]=4 5671 B12R2.2110 C=CCCOC1C[C@@H]2C[C@@H]2C1 166839d8dde926b28c7f11fd47b2bd5f [0,2,0,1,0,0|1,0,0]=4 5672 B12R2.2110 C=CCCO[C@@H]1C[C@@H]2C[C@@H]2C1 c078a8715ae2893714cbc8bc9633c1a0 [0,2,0,1,0,0|1,0,0]=4 5673 B12R2.2110 C=CCCO[C@H]1C[C@@H]2C[C@@H]2C1 fa76b6502db1c683a0d705aef7024768 [0,2,0,1,0,0|1,0,0]=4 5674 B12R2.2110 Cl/C=C/COC1CC2CC2C1 3644762861b410b290e035968067b606 [0,2,0,1,0,0|1,0,0]=4 5675 B12R2.2110 Cl/C=C/COC1C[C@@H]2C[C@@H]2C1 6af18a85a2c8c94e44843b08aaa9e214 [0,2,0,1,0,0|1,0,0]=4 5676 B12R2.2110 Cl/C=C/CO[C@@H]1C[C@@H]2C[C@@H]2C1 b4f529539654e4a2299be05f671f00cb [0,2,0,1,0,0|1,0,0]=4 5677 B12R2.2110 Cl/C=C/CO[C@H]1C[C@@H]2C[C@@H]2C1 45bc9261b437d54307cae2b093fc34db [0,2,0,1,0,0|1,0,0]=4 5678 B12R2.2110 Cl/C=C\COC1CC2CC2C1 42da390736442d85d0d46a262b634bc6 [0,2,0,1,0,0|1,0,0]=4 5679 B12R2.2110 Cl/C=C\COC1C[C@@H]2C[C@@H]2C1 925ff057e926ad061d95ce5e071febff [0,2,0,1,0,0|1,0,0]=4 5680 B12R2.2110 Cl/C=C\CO[C@@H]1C[C@@H]2C[C@@H]2C1 cda44641ba5325f0848db9e209b30441 [0,2,0,1,0,0|1,0,0]=4 5681 B12R2.2110 Cl/C=C\CO[C@H]1C[C@@H]2C[C@@H]2C1 a265aa8cc3f76af9e79873301b592e51 [0,2,0,1,0,0|1,0,0]=4 5682 B12R2.2110 O=CCCOC1CC2CC2C1 523e7c11aceb6559e46cdb0a71d1ccdb [0,2,0,1,0,0|0,0,0]=3 5683 B12R2.2110 O=CCCOC1C[C@@H]2C[C@@H]2C1 8f7c12c48654aeb78c60bd128b98bb64 [0,2,0,1,0,0|0,0,0]=3 5684 B12R2.2110 O=CCCO[C@@H]1C[C@@H]2C[C@@H]2C1 0198e57a010b08c5db341a46a39e62cd [0,2,0,1,0,0|0,0,0]=3 5685 B12R2.2110 O=CCCO[C@H]1C[C@@H]2C[C@@H]2C1 abf8a9aa1db166c551a3f2f1b9e26926 [0,2,0,1,0,0|0,0,0]=3 5686 B12R2.1561 C#CC(=O)N1C2CCC1CC2 7c53c9e1471cc45a19171d4191fd18af [0,2,0,1,0,0|1,0,0]=4 5687 B12R2.1561 C#CC(=O)N1[C@H]2CC[C@@H]1CC2 bb2dd7e655b9e25e1383800a82f8bc25 [0,2,0,1,0,0|1,0,0]=4 5688 B12R2.1561 C=CC(=O)N1C2CCC1CC2 5d3df39bf844689a505ba01c03d9ab8d [0,2,0,1,0,0|1,0,0]=4 5689 B12R2.1561 C=CC(=O)N1[C@H]2CC[C@@H]1CC2 bea0e53bff65640847b3d22cb1d055ea [0,2,0,1,0,0|1,0,0]=4 5690 B12R2.1561 CC(C=O)N1C2CCC1CC2 f4ab81ca92b5bd49b472e7826859a40a [0,2,0,1,0,0|1,0,0]=4 5691 B12R2.1561 CC(C=O)N1[C@H]2CC[C@@H]1CC2 a6e9ce494c9527f3b218687daf75e2f4 [0,2,0,1,0,0|1,0,0]=4 5692 B12R2.1561 CCC(=O)N1C2CCC1CC2 c0a0e28807566f2427d85d9586556c7a [0,2,0,1,0,0|1,0,0]=4 5693 B12R2.1561 CCC(=O)N1[C@H]2CC[C@@H]1CC2 439ca6afd4a37a2a9312f07410612ebc [0,2,0,1,0,0|1,0,0]=4 5694 B12R2.1561 C[C@H](C=O)N1C2CCC1CC2 067093e04095b97980af6ce5e0e8a164 [0,2,0,1,0,0|1,0,0]=4 5695 B12R2.1561 C[C@H](C=O)N1[C@H]2CC[C@@H]1CC2 5bf6d4a3d8da55a3c5112b615cc5751d [0,2,0,1,0,0|1,0,0]=4 5696 B12R2.1561 O=C(CF)N1C2CCC1CC2 c8c3bc1cb03903a3553f33d0c904aeaf [0,2,0,1,0,0|1,0,0]=4 5697 B12R2.1561 O=C(CF)N1[C@H]2CC[C@@H]1CC2 418901cfe3c4cf16047ed7b5e52b3d27 [0,2,0,1,0,0|1,0,0]=4 5698 B12R2.1561 O=C(CO)N1C2CCC1CC2 71c9433fc62626ba9ec6a85afe70f9a6 [0,2,0,1,0,0|1,0,0]=4 5699 B12R2.1561 O=C(CO)N1[C@H]2CC[C@@H]1CC2 f71a570c5f087471ce01fb9e4f375003 [0,2,0,1,0,0|1,0,0]=4 5700 B12R2.1561 O=C(CS)N1C2CCC1CC2 b88b1058e79c8f27890acaef8c26f6a1 [0,2,0,1,0,0|1,0,0]=4 5701 B12R2.1561 O=C(CS)N1[C@H]2CC[C@@H]1CC2 5a673399cbbcff6697532111812b9810 [0,2,0,1,0,0|1,0,0]=4 5702 B12R2.1561 O=CC(=O)N1C2CCC1CC2 a724dddcd9fc077a0ee7ac82b9c5d1a0 [0,2,0,1,0,0|1,0,0]=4 5703 B12R2.1561 O=CC(=O)N1[C@H]2CC[C@@H]1CC2 cad296c36d6cdac61ecd42898941c5bb [0,2,0,1,0,0|1,0,0]=4 5704 B12R2.1619 C=CC(C)OC1CC2CC2C1 e609a7f1f60eed24433ab3652940da86 [0,2,0,1,0,0|1,0,0]=4 5705 B12R2.1619 C=CC(C)OC1C[C@@H]2C[C@@H]2C1 adb1c015aa52516d486cf3bdd29ee2f2 [0,2,0,1,0,0|1,0,0]=4 5706 B12R2.1619 C=CC(C)O[C@@H]1C[C@@H]2C[C@@H]2C1 2471c5e9e293bfab9605cdfee82fa481 [0,2,0,1,0,0|1,0,0]=4 5707 B12R2.1619 C=CC(C)O[C@H]1C[C@@H]2C[C@@H]2C1 3425aeffa55835bb6b732219db0cd0fe [0,2,0,1,0,0|1,0,0]=4 5708 B12R2.1619 CC(C=O)OC1CC2CC2C1 3381f4d1f7fc924c170486f124042ed7 [0,2,0,1,0,0|0,0,0]=3 5709 B12R2.1619 CC(C=O)OC1C[C@@H]2C[C@@H]2C1 0590c4ba703f954d7ff7e4a06206516c [0,2,0,1,0,0|0,0,0]=3 5710 B12R2.1619 CC(C=O)O[C@@H]1C[C@@H]2C[C@@H]2C1 d3b82dfd2c73159049343117b5c47605 [0,2,0,1,0,0|0,0,0]=3 5711 B12R2.1619 CC(C=O)O[C@H]1C[C@@H]2C[C@@H]2C1 c3d302ac5c43c6d3af977c35831a520f [0,2,0,1,0,0|0,0,0]=3 5712 B12R2.1619 C[C@H](C=O)OC1CC2CC2C1 94efa0c38150654409b55f05ddb0f0a9 [0,2,0,1,0,0|0,0,0]=3 5713 B12R2.1619 C[C@H](C=O)OC1C[C@@H]2C[C@@H]2C1 6cee11cce3f6afb426ea00b3463b899a [0,2,0,1,0,0|0,0,0]=3 5714 B12R2.1619 C[C@H](C=O)O[C@@H]1C[C@@H]2C[C@@H]2C1 194e672fd5c4bbc69bfae4f57c23ba49 [0,2,0,1,0,0|0,0,0]=3 5715 B12R2.1619 C[C@H](C=O)O[C@H]1C[C@@H]2C[C@@H]2C1 2adaca158ff10a166e02741ac3c87a7b [0,2,0,1,0,0|0,0,0]=3 5716 B12R2.1772 O=CN1CC2(C1)CCCCC2 0997bc150f3bbd94bf070dcd290ad8c2 [0,2,0,1,0,0|1,0,0]=4 5717 B12R2.4322 C=CC(C)OC1CCC2C1C2 bc8b948bf12b3afc1fb24a340edba59e [0,2,0,1,0,0|1,0,0]=4 5718 B12R2.4322 C=CC(C)O[C@@H]1CC[C@@H]2[C@H]1C2 27fa3375b2abfad0d49d1ae91359cfd7 [0,2,0,1,0,0|1,0,0]=4 5719 B12R2.4322 CC(C=O)OC1CCC2C1C2 11a426a7c5c96a435cdbbc2e6026e22b [0,2,0,1,0,0|0,0,0]=3 5720 B12R2.4322 CC(C=O)O[C@@H]1CC[C@@H]2[C@H]1C2 70620d89a6b7d07a1f5882005856d096 [0,2,0,1,0,0|0,0,0]=3 5721 B12R2.4322 C[C@H](C=O)OC1CCC2C1C2 e1451eaa902c3119854171adcd6822a4 [0,2,0,1,0,0|0,0,0]=3 5722 B12R2.4322 C[C@H](C=O)O[C@@H]1CC[C@@H]2[C@H]1C2 b11a1544e02db99ac97828d88f8a5860 [0,2,0,1,0,0|0,0,0]=3 5723 B12R2.1367 NC(=O)CN1C2CCC1CC2 053b14ce77f683512ffba00436ca8a34 [0,2,0,1,0,0|1,0,0]=4 5724 B12R2.1367 NC(=O)CN1[C@H]2CC[C@@H]1CC2 2376307a77a9061c418c9b8f7f14f028 [0,2,0,1,0,0|1,0,0]=4 5725 B12R2.1367 O=C(O)CN1C2CCC1CC2 b412631386b7590d7f8b7389ef8b98bf [0,2,0,1,0,0|1,0,0]=4 5726 B12R2.1367 O=C(O)CN1[C@H]2CC[C@@H]1CC2 3194a9708435426ea6e241c1929c674c [0,2,0,1,0,0|1,0,0]=4 5727 B12R2.1377 CC(=O)OCN1C2C1CCC2 9cc6d72a5dbf63c27f7f85072e87b90e [0,2,0,1,0,0|1,0,0]=4 5728 B12R2.1381 C=C(Br)COC1CC2CC2C1 60bd45f428a0125e2eb325b3fe15b844 [0,2,0,1,0,0|1,0,0]=4 5729 B12R2.1381 C=C(Br)COC1C[C@@H]2C[C@@H]2C1 7aea284c85b34dad5d60b797bc846ba4 [0,2,0,1,0,0|1,0,0]=4 5730 B12R2.1381 C=C(Br)CO[C@@H]1C[C@@H]2C[C@@H]2C1 bad463153d8b497be61f39d524091f97 [0,2,0,1,0,0|1,0,0]=4 5731 B12R2.1381 C=C(Br)CO[C@H]1C[C@@H]2C[C@@H]2C1 ccb6168cc9dec21f73a4c495866338de [0,2,0,1,0,0|1,0,0]=4 5732 B12R2.1381 C=C(C)COC1CC2CC2C1 080eb7e001a9988a8cb63b7b73b9001b [0,2,0,1,0,0|1,0,0]=4 5733 B12R2.1381 C=C(C)COC1C[C@@H]2C[C@@H]2C1 068394b7737d9b1d4cbc76d1af03233a [0,2,0,1,0,0|1,0,0]=4 5734 B12R2.1381 C=C(C)CO[C@@H]1C[C@@H]2C[C@@H]2C1 63bfe32c331c562534e0217ac2d4fe94 [0,2,0,1,0,0|1,0,0]=4 5735 B12R2.1381 C=C(C)CO[C@H]1C[C@@H]2C[C@@H]2C1 230a5d7aa8f49e9035961f734da88c19 [0,2,0,1,0,0|1,0,0]=4 5736 B12R2.1381 C=C(Cl)COC1CC2CC2C1 d34b724ca41352fb57cc613c6af7ec38 [0,2,0,1,0,0|1,0,0]=4 5737 B12R2.1381 C=C(Cl)COC1C[C@@H]2C[C@@H]2C1 905888453054831af158aa0867366c66 [0,2,0,1,0,0|1,0,0]=4 5738 B12R2.1381 C=C(Cl)CO[C@@H]1C[C@@H]2C[C@@H]2C1 f92c15125446357b88043556621191a7 [0,2,0,1,0,0|1,0,0]=4 5739 B12R2.1381 C=C(Cl)CO[C@H]1C[C@@H]2C[C@@H]2C1 d8ad63f6763247a96e35cf5d829c156b [0,2,0,1,0,0|1,0,0]=4 5740 B12R2.1381 C=C(F)COC1CC2CC2C1 57d9f02158bcf28b0666b3ace66b9e94 [0,2,0,1,0,0|1,0,0]=4 5741 B12R2.1381 C=C(F)COC1C[C@@H]2C[C@@H]2C1 ce76b05f0b87eefe7c1f2b7aef470a08 [0,2,0,1,0,0|1,0,0]=4 5742 B12R2.1381 C=C(F)CO[C@@H]1C[C@@H]2C[C@@H]2C1 db53bee02f14651214cd4dd00dafd206 [0,2,0,1,0,0|1,0,0]=4 5743 B12R2.1381 C=C(F)CO[C@H]1C[C@@H]2C[C@@H]2C1 647d5841d0993ac03978859592c3d016 [0,2,0,1,0,0|1,0,0]=4 5744 B12R2.1381 CC(=O)OCN1CC2CC2C1 522b13c2e412dab591197c47d1827fc7 [0,2,0,1,0,0|1,0,0]=4 5745 B12R2.1381 NC(=O)COC1CC2CC2C1 5a8ee3f6277035f070d687ae095314b9 [0,2,0,1,0,0|0,0,0]=3 5746 B12R2.1381 NC(=O)COC1C[C@@H]2C[C@@H]2C1 89a5cfa8ae400c568d2dea1e593fa3e8 [0,2,0,1,0,0|0,0,0]=3 5747 B12R2.1381 NC(=O)CO[C@@H]1C[C@@H]2C[C@@H]2C1 224e8d2f3c7c0058b29c9fea54894bc3 [0,2,0,1,0,0|0,0,0]=3 5748 B12R2.1381 NC(=O)CO[C@H]1C[C@@H]2C[C@@H]2C1 caef5e89abf26c9f38cb04bd4017f00a [0,2,0,1,0,0|0,0,0]=3 5749 B12R2.1381 O=C(O)COC1CC2CC2C1 96d09dad561a6eda542ad0396c357082 [0,2,0,1,0,0|0,0,0]=3 5750 B12R2.1381 O=C(O)COC1C[C@@H]2C[C@@H]2C1 11f1587e509c69bad8738ce64ba687c8 [0,2,0,1,0,0|0,0,0]=3 5751 B12R2.1381 O=C(O)CO[C@@H]1C[C@@H]2C[C@@H]2C1 9c5b5b85c8eabdf0487a1f91ac44b86c [0,2,0,1,0,0|0,0,0]=3 5752 B12R2.1381 O=C(O)CO[C@H]1C[C@@H]2C[C@@H]2C1 0f5c755b98e3f66137830bdc663dd097 [0,2,0,1,0,0|0,0,0]=3 5753 B12R2.1381 O=[N+]([O-])COC1CC2CC2C1 8f208bb5f84eca9cb80d92f8cb8e23de [0,2,0,1,0,0|0,0,1]=4 5754 B12R2.1381 O=[N+]([O-])COC1C[C@@H]2C[C@@H]2C1 8913ee7ee77f166445acbebdb3113f6e [0,2,0,1,0,0|0,0,1]=4 5755 B12R2.1381 O=[N+]([O-])CO[C@@H]1C[C@@H]2C[C@@H]2C1 f3dfed02266ea29cdf4af6df7054ba39 [0,2,0,1,0,0|0,0,1]=4 5756 B12R2.1381 O=[N+]([O-])CO[C@H]1C[C@@H]2C[C@@H]2C1 68a326b3ee31f16a7e7ef8d6dd7b1a72 [0,2,0,1,0,0|0,0,1]=4 5757 B12R2.5266 C=C(Br)COC1CCC2C1C2 5d334987776932f92ca61ffa74a7adc7 [0,2,0,1,0,0|1,0,0]=4 5758 B12R2.5266 C=C(Br)CO[C@@H]1CC[C@@H]2[C@H]1C2 651835ed29cd94fb66bc737dac31de1c [0,2,0,1,0,0|1,0,0]=4 5759 B12R2.5266 C=C(C)COC1CCC2C1C2 27ffbce686b5f9d95f4be0ea65701c7c [0,2,0,1,0,0|1,0,0]=4 5760 B12R2.5266 C=C(C)CO[C@@H]1CC[C@@H]2[C@H]1C2 79cbdefa58381ee76c87b7e952f3159a [0,2,0,1,0,0|1,0,0]=4 5761 B12R2.5266 C=C(Cl)COC1CCC2C1C2 bf72c2047a7d124c71efa2e728684852 [0,2,0,1,0,0|1,0,0]=4 5762 B12R2.5266 C=C(Cl)CO[C@@H]1CC[C@@H]2[C@H]1C2 a27058fab684d4e564758ec92ca02513 [0,2,0,1,0,0|1,0,0]=4 5763 B12R2.5266 C=C(F)COC1CCC2C1C2 f190db05a022b82515e315092ad9bf1f [0,2,0,1,0,0|1,0,0]=4 5764 B12R2.5266 C=C(F)CO[C@@H]1CC[C@@H]2[C@H]1C2 5a568838eb2da26bd1c28ed08fcf19e0 [0,2,0,1,0,0|1,0,0]=4 5765 B12R2.5266 CC(=O)OCN1CCC2C1C2 c858693324461553169573afcd0b34c9 [0,2,0,1,0,0|1,0,0]=4 5766 B12R2.5266 NC(=O)COC1CCC2C1C2 66e13f73441b19391af7f85aa6bc1940 [0,2,0,1,0,0|0,0,0]=3 5767 B12R2.5266 NC(=O)CO[C@@H]1CC[C@@H]2[C@H]1C2 8c6cd799a87094bd184858eb8c5d3b20 [0,2,0,1,0,0|0,0,0]=3 5768 B12R2.5266 O=C(O)COC1CCC2C1C2 edbee8640d68fecb9f6e7c1b95f3de7d [0,2,0,1,0,0|0,0,0]=3 5769 B12R2.5266 O=C(O)CO[C@@H]1CC[C@@H]2[C@H]1C2 04d859dd8bdd27bff808c94d41b948c2 [0,2,0,1,0,0|0,0,0]=3 5770 B12R2.5266 O=[N+]([O-])COC1CCC2C1C2 66c1f90558df6e178a043521661a00fb [0,2,0,1,0,0|0,0,1]=4 5771 B12R2.5266 O=[N+]([O-])CO[C@@H]1CC[C@@H]2[C@H]1C2 5ddefecd2673d7a7fbd651bc80aefcb0 [0,2,0,1,0,0|0,0,1]=4 5772 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,0,2,0|1,0,0]=4 5773 B6R1.3 O=CNC1CC1 8f8618d92d234287e5df05f6330bfc1f [0,0,0,0,3,0|1,0,0]=4