0 B11R0.40 C#CC(=O)NCCCCCCC 0eae3cad00dce1265569f39d62b75552 [0,0,0,0,0,0|2,0,2]=4 1 B11R0.40 C#CCCCCNCC(=O)OC e2f6dc715589a8ece346caf0b5248175 [0,0,0,0,0,0|1,0,3]=4 2 B11R0.40 C#CCCCCOCC(=O)OC c2244c24c70f3fcdb9ab83229390685f [0,0,0,0,0,0|1,0,3]=4 3 B11R0.40 C#CCCNCC#CC(=O)OC 65fca0beb064e6803e16b7d0846e96ee [0,0,0,0,0,0|1,0,2]=3 4 B11R0.40 C#CCCOCC#CC(=O)OC 619ecdd48529e057aba8e8cf68a127d6 [0,0,0,0,0,0|1,0,2]=3 5 B11R0.40 C/C=C/CCCOCC(=O)OC e6738c64f6b1d05e552b3b1b0b054e3b [0,0,0,0,0,0|1,0,3]=4 6 B11R0.40 C/C=C/COCC#CC(=O)OC ede6f38952ffed5868dfe2e57122e873 [0,0,0,0,0,0|1,0,2]=3 7 B11R0.40 C/C=C\CCCNCC(=O)OC 19ba686f1de3be12e553e62d243d41e8 [0,0,0,0,0,0|1,0,3]=4 8 B11R0.40 C/C=C\CCCOCC(=O)OC d055c54752e506493b99651e5f8db6b0 [0,0,0,0,0,0|1,0,3]=4 9 B11R0.40 C/C=C\COCC#CC(=O)OC 29455efdde5eb2f3e879b1b21a659249 [0,0,0,0,0,0|1,0,2]=3 10 B11R0.40 C=C(CC)CNCCCCCC 5673d4e4fc129c4bc12fcdeb75eab606 [0,0,0,0,0,0|3,0,1]=4 11 B11R0.40 C=C(CC)COCCCCCC 212d40314ce0351be00200277ccfea95 [0,0,0,0,0,0|3,0,1]=4 12 B11R0.40 C=C(CNCCCCCC)OC b50f3fa0913553bb25a4d41e332bf3c9 [0,0,0,0,0,0|2,0,1]=3 13 B11R0.40 C=C(CNCCCCCCl)OC 1cb1858c3553d806a686df59ba0bf5b9 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.40 C=C(CNCCCCCO)OC 7c919390f7508e7dd8910a06f3652f2d [0,0,0,0,0,0|3,0,1]=4 15 B11R0.40 C=C(CNCCCCOC)OC af4d5148c0b7d44722b281be3123cf0c [0,0,0,0,0,0|3,0,1]=4 16 B11R0.40 C=C(CNCCCCSC)OC b8365b25f7a97ec119451b42dc111051 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.40 C=C(CNCCCOCC)OC 8c90a666a9e8448438105143d51caa28 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.40 C=C(CNCCOCCC)OC f236b86882d7627db9752e34521fefaf [0,0,0,0,0,0|3,0,1]=4 19 B11R0.40 C=C(COCCCCCC)OC 0b95e642e1e4df81a1841fb1104211cb [0,0,0,0,0,0|2,0,1]=3 20 B11R0.40 C=C(COCCCCOC)OC 229fe40cd31f1015d5a2c69993efdd02 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.40 C=C(COCCCCSC)OC 6d188d3c5a4e9dd4927e04f86c2c486e [0,0,0,0,0,0|3,0,1]=4 22 B11R0.40 C=C(COCCCOCC)OC 6e4ad9478e650943c7322831ea8c3687 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.40 C=C(COCCCSCC)OC 4b7a9928bb796166643448fad9fd8026 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.40 C=C(COCCOCCC)OC e9e22309f5066dadc128b2745a271c60 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.40 C=C(COCCSCCC)OC af434454cf98382d87af6d9aa02d4d21 [0,0,0,0,0,0|3,0,1]=4 26 B11R0.40 C=CC(=O)NCCCCCCC f1adb5880043356bf107a0e1433c2cec [0,0,0,0,0,0|2,0,2]=4 27 B11R0.40 C=CCCCCNCC(=O)OC 9793dbbee288dbcc904bdfdc467eead2 [0,0,0,0,0,0|1,0,3]=4 28 B11R0.40 C=CCCCCOCC(=O)OC c2a5e504b8fe567a17ce6510530e06a6 [0,0,0,0,0,0|1,0,3]=4 29 B11R0.40 C=CCCNCC#CC(=O)OC df2cdbabcfd0394c61b0735bf56c742f [0,0,0,0,0,0|1,0,2]=3 30 B11R0.40 C=CCCOCC#CC(=O)OC 9bfd16864604bcdd4da8a06b15c7763e [0,0,0,0,0,0|1,0,2]=3 31 B11R0.40 CC#CCCCOCC(=O)OC 3c6dd8cdc37da413137ccfcee5220282 [0,0,0,0,0,0|1,0,3]=4 32 B11R0.40 CC#CCOCC#CC(=O)OC 4efbb923382673fd1d0b0da5d2e7deb0 [0,0,0,0,0,0|1,0,2]=3 33 B11R0.40 CC/C=C/CCOCC(=O)OC 6293af53f86b7b6af2dad649392b8297 [0,0,0,0,0,0|1,0,3]=4 34 B11R0.40 CC/C=C\CCNCC(=O)OC 2fbfc155d56dcba5809aaf9a2943d0d5 [0,0,0,0,0,0|1,0,3]=4 35 B11R0.40 CC/C=C\CCOCC(=O)OC 89064c1ffbbb951a087c64e7150f0981 [0,0,0,0,0,0|1,0,3]=4 36 B11R0.40 CC=CCCCOCC(=O)OC 58a58c868bcf876f660a2c30982521e3 [0,0,0,0,0,0|1,0,3]=4 37 B11R0.40 CC=CCNCC#CC(=O)OC 39ad655660afa955745a90c58219502e [0,0,0,0,0,0|1,0,2]=3 38 B11R0.40 CC=CCOCC#CC(=O)OC 8d44a8d7ace247c2019ad4ceeb414292 [0,0,0,0,0,0|1,0,2]=3 39 B11R0.40 CCC#CCCOCC(=O)OC b9789bd2f2c0b23abfc7d38985352c87 [0,0,0,0,0,0|1,0,3]=4 40 B11R0.40 CCC(=O)CNCCCCCCl 169847daaa232a59c508e79ce465d1e5 [0,0,0,0,0,0|3,0,1]=4 41 B11R0.40 CCC(=O)CNCCCCCO 91c7de1de227e0265fc520775d22d8c8 [0,0,0,0,0,0|3,0,1]=4 42 B11R0.40 CCC(=O)CNCCCCOC d5b6790bb3d7512c23a539ebe949f5a7 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.40 CCC(=O)CNCCCCSC adfe90b7cfa2d2b67fa90f773d60c43d [0,0,0,0,0,0|3,0,1]=4 44 B11R0.40 CCC(=O)COCCCCCF 4d534a6cf979caa0f2da56f2652dc1d0 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.40 CCC(=O)COCCCCOC 4661f8c22c4d0285a2d318daa5b937e6 [0,0,0,0,0,0|3,0,1]=4 46 B11R0.40 CCC(=O)COCCCCSC 973dc3a8bf4d40d91f3f7ce58aa6fa50 [0,0,0,0,0,0|3,0,1]=4 47 B11R0.40 CCC(=O)NCCCCCCCl c12f1575728cff95c45926a5cd979a80 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.40 CCC(=O)NCCCCCCO e5b240676bd8c501c6689b9f6771a132 [0,0,0,0,0,0|3,0,1]=4 49 B11R0.40 CCC(=O)NCCCCCOC 179b4dfc9da292e65446bd9e0bb45f8b [0,0,0,0,0,0|3,0,1]=4 50 B11R0.40 CCC/C=C/CNCC(=O)OC 977cd2ffa57377ad6072967decfb1d10 [0,0,0,0,0,0|1,0,3]=4 51 B11R0.40 CCC/C=C/COCC(=O)OC 04cc98d7105b52f9ce9f81076af6ea3a [0,0,0,0,0,0|1,0,3]=4 52 B11R0.40 CCC/C=C\CNCC(=O)OC 1360ea2057aef13ba79a0858f65ed978 [0,0,0,0,0,0|1,0,3]=4 53 B11R0.40 CCC/C=C\COCC(=O)OC d0d03f62c6e937ca3985487fc878763a [0,0,0,0,0,0|1,0,3]=4 54 B11R0.40 CCCC#CCOCC(=O)OC ad556fbd28f83bdd0e84c83418bfec68 [0,0,0,0,0,0|1,0,3]=4 55 B11R0.40 CCCCCCCNC(=O)C=O abee9ded1e7a7a6b29f3f186b2d24366 [0,0,0,0,0,0|3,0,1]=4 56 B11R0.40 CCCCCCCNC(=O)CC 686f1ce47fd62528159d592ae6144fd0 [0,0,0,0,0,0|2,0,1]=3 57 B11R0.40 CCCCCCCNC(=O)CF 406840209e6eaaa926c9723f43f43bb3 [0,0,0,0,0,0|3,0,1]=4 58 B11R0.40 CCCCCCCNC(=O)CO 649c57dfd5f4fa0f4565341b8aa151e7 [0,0,0,0,0,0|3,0,1]=4 59 B11R0.40 CCCCCCCNC(=O)CS 53771c9c8b167b3f7995337d22f4a6f9 [0,0,0,0,0,0|3,0,1]=4 60 B11R0.40 CCCCCCNCC(=O)CC c8e5732d0f65da9c5c5b2a092b9f01ac [0,0,0,0,0,0|2,0,1]=3 61 B11R0.40 CCCCCCNCC(=O)CO 22481f5647b4924598aea5bd39f61ac5 [0,0,0,0,0,0|3,0,1]=4 62 B11R0.40 CCCCCCNCC(=O)NC 40b08a506355532a04de3945e21a62e5 [0,0,0,0,0,0|2,0,1]=3 63 B11R0.40 CCCCCCNCC(=O)NO 70ed1d49a75a058f80d6cb8d6355c00e [0,0,0,0,0,0|3,0,1]=4 64 B11R0.40 CCCCCCNCC(=O)OC b4b64d05ad9791105a1ead038a87d73e [0,0,0,0,0,0|1,0,1]=2 65 B11R0.40 CCCCCCNCC(C)OC 0cff621ac604a8bce9e3d9429b7785c4 [0,0,0,0,0,0|2,0,2]=4 66 B11R0.40 CCCCCCNC[C@@H](C)OC 7c4b121f35ac8a52cba607f05a6e7573 [0,0,0,0,0,0|2,0,2]=4 67 B11R0.40 CCCCCCNC[C@H](C)OC bf1ce180e50f8f2b920876a6b3eeeddc [0,0,0,0,0,0|2,0,2]=4 68 B11R0.40 CCCCCCOCC(=O)CC adcf10a6b79c1dbe703e4ef32ea4d479 [0,0,0,0,0,0|2,0,1]=3 69 B11R0.40 CCCCCCOCC(=O)NC 36fff55613dedf0508c95b9965e07157 [0,0,0,0,0,0|2,0,1]=3 70 B11R0.40 CCCCCCOCC(=O)OC 09bff5c54ea2c2317e4ffa1248f416e4 [0,0,0,0,0,0|1,0,1]=2 71 B11R0.40 CCCCCCOCC(C)OC a0fa230585bca5f2e00c13371d45b4f7 [0,0,0,0,0,0|2,0,2]=4 72 B11R0.40 CCCCCCOC[C@@H](C)OC eea6b16218526f0f26da2e08c85b1bb6 [0,0,0,0,0,0|2,0,2]=4 73 B11R0.40 CCCCCCOC[C@H](C)OC 30171bb57d76d51c5ab163cee13542db [0,0,0,0,0,0|2,0,2]=4 74 B11R0.40 CCCCCNCCC(=O)NC bf2880d61bf311927f37d9459b95311c [0,0,0,0,0,0|2,0,2]=4 75 B11R0.40 CCCCCNCCC(=O)OC 528d03f621767c5da7a29df90a9b38b7 [0,0,0,0,0,0|1,0,2]=3 76 B11R0.40 CCCCCNCOC(=O)CC 738d6b861ce276b5e51842c47cb9a606 [0,0,0,0,0,0|3,0,1]=4 77 B11R0.40 CCCCCNCOC(=O)OC 1a984734eabc63cd259d87fe0f6d0e3a [0,0,0,0,0,0|2,0,1]=3 78 B11R0.40 CCCCCOCCC(=O)NC d53a8d398531b211866f279fd03bc27d [0,0,0,0,0,0|2,0,2]=4 79 B11R0.40 CCCCCOCCC(=O)OC ccac832df9f8c79f4c2f2e191d935c4d [0,0,0,0,0,0|1,0,2]=3 80 B11R0.40 CCCCCOCOC(=O)CC 1566d44e71376e77797064cfeb4bdbd4 [0,0,0,0,0,0|3,0,1]=4 81 B11R0.40 CCCCCOCOC(=O)OC 8437c1266fb81e44453bd4eda59a8fa6 [0,0,0,0,0,0|2,0,1]=3 82 B11R0.40 CCCCNC/C=C/C(=O)OC b3a514a731f1acedd7ecc6400b164781 [0,0,0,0,0,0|1,0,2]=3 83 B11R0.40 CCCCNC/C=C\C(=O)OC 471ceb065340c9365beed3e9d2ebfa53 [0,0,0,0,0,0|1,0,2]=3 84 B11R0.40 CCCCNCC#CC(=O)OC b07dee74ff9f27fc053920faab56536a [0,0,0,0,0,0|1,0,0]=1 85 B11R0.40 CCCCNCC=CC(=O)OC 0d0826bdd8498869565a4f15cf2066f6 [0,0,0,0,0,0|1,0,2]=3 86 B11R0.40 CCCCNCCCC(=O)NC 5ab58c06c9aebec88dfab837bc396f59 [0,0,0,0,0,0|2,0,2]=4 87 B11R0.40 CCCCNCCCC(=O)OC af4a3bbabc42a3dd3e1785630a7ed514 [0,0,0,0,0,0|1,0,2]=3 88 B11R0.40 CCCCNCCNC(=O)CC eafd4f313dd1c9da61b2b14982bece7b [0,0,0,0,0,0|3,0,1]=4 89 B11R0.40 CCCCOC/C=C/C(=O)OC 2578e2b41359b1205a52e699296f8f5d [0,0,0,0,0,0|1,0,2]=3 90 B11R0.40 CCCCOC/C=C\C(=O)OC a4231358b1b34ec0f8a3eeab7233249a [0,0,0,0,0,0|1,0,2]=3 91 B11R0.40 CCCCOCC#CC(=O)OC 8934e7b25dfb48eb96b5a4ca53d2fd91 [0,0,0,0,0,0|1,0,0]=1 92 B11R0.40 CCCCOCC=CC(=O)OC ae9d980bde0206669ae07f1e0557de43 [0,0,0,0,0,0|1,0,2]=3 93 B11R0.40 CCCCOCCCC(=O)NC c2d274710c85b38a446478cdb547f403 [0,0,0,0,0,0|2,0,2]=4 94 B11R0.40 CCCCOCCCC(=O)OC 2c00c25d55f4aed289459825ca6caf67 [0,0,0,0,0,0|1,0,2]=3 95 B11R0.40 CCCCOCCNC(=O)CC e75a887cb4393e27da632a529a3d90a7 [0,0,0,0,0,0|3,0,1]=4 96 B11R0.40 CCCCOCCOC(=O)CC 6522276dd406ffc521118952ffb4c4ea [0,0,0,0,0,0|3,0,1]=4 97 B11R0.40 CCCCOCCOC(=O)OC b231bf275b01e991c727c5357c04f648 [0,0,0,0,0,0|2,0,1]=3 98 B11R0.40 CCCCOCNCC(=O)NC 616599147b30c3950bdb1b2fd39b4562 [0,0,0,0,0,0|3,0,1]=4 99 B11R0.40 CCCCOCNCC(=O)OC 730d997397b70287e85ae8c4a8daeadc [0,0,0,0,0,0|2,0,1]=3 100 B11R0.40 CCCCOCOCC(=O)CC 89e908693e91dd0d0e69177990ed0083 [0,0,0,0,0,0|3,0,1]=4 101 B11R0.40 CCCCOCOCC(=O)NC 4b55806592c9b9b1a2f1a1bbf4f1bb36 [0,0,0,0,0,0|3,0,1]=4 102 B11R0.40 CCCCOCOCC(=O)OC 946e25ac7c12d92c76f185574d681691 [0,0,0,0,0,0|2,0,1]=3 103 B11R0.40 CCCNCCCCC(=O)CC a0ca041e30af7810958502bfc4beeb26 [0,0,0,0,0,0|2,0,2]=4 104 B11R0.40 CCCNCCCCC(=O)OC 060557c49fc8b2682bce09dcecd26897 [0,0,0,0,0,0|1,0,2]=3 105 B11R0.40 CCCNCCOCC(=O)OC 7d542560aee618cccb8ce15c1eff67f0 [0,0,0,0,0,0|2,0,1]=3 106 B11R0.40 CCCOCCCCC(=O)CC 177be31e74ea458cdea2086674fce0ec [0,0,0,0,0,0|2,0,2]=4 107 B11R0.40 CCCOCCCCC(=O)OC c38c96dc4e6815105987ed08074c5cd5 [0,0,0,0,0,0|1,0,2]=3 108 B11R0.40 CCCOCCCNC(=O)CC fec3893936a6956cbc39d82258f1e626 [0,0,0,0,0,0|3,0,1]=4 109 B11R0.40 CCCOCCNCC(=O)CC af6d8ece5f96f6d5993dca91750c6331 [0,0,0,0,0,0|3,0,1]=4 110 B11R0.40 CCCOCCNCC(=O)NC 31d2582b75dee5c561ae8d9d18b5f73a [0,0,0,0,0,0|3,0,1]=4 111 B11R0.40 CCCOCCNCC(=O)OC dc4681ef40747337e3903e762819be10 [0,0,0,0,0,0|2,0,1]=3 112 B11R0.40 CCCOCCOCC(=O)CC 723ec6dd1a32570a19662d1e12346296 [0,0,0,0,0,0|3,0,1]=4 113 B11R0.40 CCCOCCOCC(=O)NC faa395813f7f435b9e71ac3a336b018c [0,0,0,0,0,0|3,0,1]=4 114 B11R0.40 CCCOCCOCC(=O)OC 64aebb87f3244a9d7b7f06c29592a387 [0,0,0,0,0,0|2,0,1]=3 115 B11R0.40 CCCSCCOCC(=O)CC d2067d23d0e94c02b501473ae1f752be [0,0,0,0,0,0|3,0,1]=4 116 B11R0.40 CCCSCCOCC(=O)NC d89728054d6897369246b7981ce18df3 [0,0,0,0,0,0|3,0,1]=4 117 B11R0.40 CCCSCCOCC(=O)OC bfd9150e07503b75f145ebf21333d513 [0,0,0,0,0,0|2,0,1]=3 118 B11R0.40 CCNCCCCCC(=O)OC 78bd529289af6b285c7f270dc69f9cc3 [0,0,0,0,0,0|1,0,2]=3 119 B11R0.40 CCOCCCCCC(=O)OC 9b80041f3611c56f4bedd2a18eade3b1 [0,0,0,0,0,0|1,0,2]=3 120 B11R0.40 CCOCCCNCC(=O)CC 4f4839c9cf33d5a6041ac0e17d66aa31 [0,0,0,0,0,0|3,0,1]=4 121 B11R0.40 CCOCCCNCC(=O)NC 18ed4231805b9315b892feddb4a0f142 [0,0,0,0,0,0|3,0,1]=4 122 B11R0.40 CCOCCCNCC(=O)OC c7485a37569a461c52aa81ad8055e3b4 [0,0,0,0,0,0|2,0,1]=3 123 B11R0.40 CCOCCCOCC(=O)CC 9c1461ad3db61a1f493b386fb087b9cc [0,0,0,0,0,0|3,0,1]=4 124 B11R0.40 CCOCCCOCC(=O)NC 614e23071f34b17a173bf4898b942683 [0,0,0,0,0,0|3,0,1]=4 125 B11R0.40 CCOCCCOCC(=O)OC 57dddf421e069c47297be6f52caa57fc [0,0,0,0,0,0|2,0,1]=3 126 B11R0.40 CCOCCNCCC(=O)OC 9739503ab4bf541699a74f281c2e2b9c [0,0,0,0,0,0|2,0,2]=4 127 B11R0.40 CCOCCNCOC(=O)OC 2f46520d864a633cb0e2110e3e899494 [0,0,0,0,0,0|3,0,1]=4 128 B11R0.40 CCOCCOCCC(=O)OC b15bdf82e04bdb738b2e374226a2be54 [0,0,0,0,0,0|2,0,2]=4 129 B11R0.40 CCOCCOCOC(=O)OC 1b001321ce33a4b0045747fb5636ab5b [0,0,0,0,0,0|3,0,1]=4 130 B11R0.40 CCOCNCCCC(=O)OC 46be0dc6a2fa53d0e3dcfb4db7331cb1 [0,0,0,0,0,0|2,0,2]=4 131 B11R0.40 CCOCOC/C=C/C(=O)OC e4cc36343f90e4a61dcf5e1719d24380 [0,0,0,0,0,0|2,0,2]=4 132 B11R0.40 CCOCOCC#CC(=O)OC 135e4d7ebe5f8e61574ee7928eac2024 [0,0,0,0,0,0|2,0,0]=2 133 B11R0.40 CCOCOCCOC(=O)OC f54b3c8afccb92210f71af931469dca3 [0,0,0,0,0,0|3,0,1]=4 134 B11R0.40 CCSCCCCNC(=O)CC ea0f6528589aacf58e162b969c059b14 [0,0,0,0,0,0|3,0,1]=4 135 B11R0.40 CCSCCCNCC(=O)NC 8d72ebbd34eef83f425180c3ebbaabc8 [0,0,0,0,0,0|3,0,1]=4 136 B11R0.40 CCSCCCNCC(=O)OC d693d460276bdecc5b8f625d27e28722 [0,0,0,0,0,0|2,0,1]=3 137 B11R0.40 CCSCCCOCC(=O)CC e95eea67d707e354332756055989bd1d [0,0,0,0,0,0|3,0,1]=4 138 B11R0.40 CCSCCCOCC(=O)NC 2a5a295fa3b1af8becdc9290c9b7f233 [0,0,0,0,0,0|3,0,1]=4 139 B11R0.40 CCSCCCOCC(=O)OC 3e5dce16e86bb76e36032bc19e30b6c4 [0,0,0,0,0,0|2,0,1]=3 140 B11R0.40 CCSCCNCCC(=O)OC 06a359cc9c842e83d31563a3d685e384 [0,0,0,0,0,0|2,0,2]=4 141 B11R0.40 CCSCCNCOC(=O)OC 99091e33f20ac8cdddca7f1f8400fb0e [0,0,0,0,0,0|3,0,1]=4 142 B11R0.40 CCSCCOCCC(=O)OC 3a5d46de8a20f41384df05397c6e099d [0,0,0,0,0,0|2,0,2]=4 143 B11R0.40 CCSCCOCOC(=O)OC 0c96435cf2792cfaf92b3bf76d4c8058 [0,0,0,0,0,0|3,0,1]=4 144 B11R0.40 CNC(=O)CNCCCCCCl 1b24bb6cfabdfe0025087d1d392598b1 [0,0,0,0,0,0|3,0,1]=4 145 B11R0.40 CNC(=O)CNCCCCCF 7b5105d20aa8de64473ea79cf8b50525 [0,0,0,0,0,0|3,0,1]=4 146 B11R0.40 CNC(=O)CNCCCCCO 728cf07c565537ba2c1fca79a62d199b [0,0,0,0,0,0|3,0,1]=4 147 B11R0.40 CNC(=O)CNCCCCOC f7baaa1dac3847017477b23b2f48566a [0,0,0,0,0,0|3,0,1]=4 148 B11R0.40 CNC(=O)CNCCCCSC 02be1b09bbf0b9bcfd517d1564f71a68 [0,0,0,0,0,0|3,0,1]=4 149 B11R0.40 CNC(=O)COCCCCCF 30a06aacc12e6be93a441e8da3712845 [0,0,0,0,0,0|3,0,1]=4 150 B11R0.40 CNC(=O)COCCCCOC a539f4641c3a9dab39104b55ede71de3 [0,0,0,0,0,0|3,0,1]=4 151 B11R0.40 CNC(=O)COCCCCSC 0d9899b882fa3d6dcae7317e3bdd0e37 [0,0,0,0,0,0|3,0,1]=4 152 B11R0.40 COC(=O)/C=C/CNCCCCl 31d29c9cf32854db69adb74e9398c6e0 [0,0,0,0,0,0|2,0,2]=4 153 B11R0.40 COC(=O)/C=C/CNCCCO 3086293ec3ba001d5228a6041b89b656 [0,0,0,0,0,0|2,0,2]=4 154 B11R0.40 COC(=O)/C=C/CNCCSC 94dc336038796b036e662bb139bf3b97 [0,0,0,0,0,0|2,0,2]=4 155 B11R0.40 COC(=O)/C=C/COCCCF a622ef36946041ca8ed3593aeb8a6fcc [0,0,0,0,0,0|2,0,2]=4 156 B11R0.40 COC(=O)/C=C/COCCCS 197ddce6d82e7e120500b3f7cfb49d51 [0,0,0,0,0,0|2,0,2]=4 157 B11R0.40 COC(=O)/C=C/COCCSC b726e97dd21fedc8d6704fd688e2e723 [0,0,0,0,0,0|2,0,2]=4 158 B11R0.40 COC(=O)/C=C\CNCCCCl 8e5d9577fb6cdb58469207cb0aa354fe [0,0,0,0,0,0|2,0,2]=4 159 B11R0.40 COC(=O)/C=C\CNCCCO e3b7987e1c3f50a09620f9837cb4dae6 [0,0,0,0,0,0|2,0,2]=4 160 B11R0.40 COC(=O)/C=C\CNCCSC 0da40c460d9c78f0daa19f19fb1d079a [0,0,0,0,0,0|2,0,2]=4 161 B11R0.40 COC(=O)/C=C\COCCCF d50881f283c439885800539722c8f680 [0,0,0,0,0,0|2,0,2]=4 162 B11R0.40 COC(=O)/C=C\COCCCS 773b01df776a39eef1df34d41bd8f3e0 [0,0,0,0,0,0|2,0,2]=4 163 B11R0.40 COC(=O)/C=C\COCCSC 2f433c3689b5d29ca1e4e77960bfcef0 [0,0,0,0,0,0|2,0,2]=4 164 B11R0.40 COC(=O)C#CCNCCC#N 4e8b1127665089551ecb76b37c39d6de [0,0,0,0,0,0|2,0,1]=3 165 B11R0.40 COC(=O)C#CCNCCCCl ea1bca30a0b15e668fe56a6308d60bc8 [0,0,0,0,0,0|2,0,0]=2 166 B11R0.40 COC(=O)C#CCNCCCO 994bfaf2ea41e864a527f9732b88ecaf [0,0,0,0,0,0|2,0,0]=2 167 B11R0.40 COC(=O)C#CCNCCON 3ba4a2efef5cc3171b219a22de2a0130 [0,0,0,0,0,0|3,0,0]=3 168 B11R0.40 COC(=O)C#CCNCCSC e1242afe77694b94abf80657f69c4762 [0,0,0,0,0,0|2,0,0]=2 169 B11R0.40 COC(=O)C#CCOC/C=C/Cl 95a00b9f71fa8ef54c1a84c76c5c00e6 [0,0,0,0,0,0|2,0,2]=4 170 B11R0.40 COC(=O)C#CCOC/C=C\Cl f514d1fc365a0aba7440495773f935b5 [0,0,0,0,0,0|2,0,2]=4 171 B11R0.40 COC(=O)C#CCOCC#CI db7409f4eddd41109b85506d1569fcd2 [0,0,0,0,0,0|2,0,2]=4 172 B11R0.40 COC(=O)C#CCOCC=CCl af6523c577e2ac25ed235d71c323aaa9 [0,0,0,0,0,0|2,0,2]=4 173 B11R0.40 COC(=O)C#CCOCCC#N b339f8888d849b49c0618825adca8171 [0,0,0,0,0,0|2,0,1]=3 174 B11R0.40 COC(=O)C#CCOCCC=O 78389b016f6a9874949c691869d6c3e9 [0,0,0,0,0,0|2,0,1]=3 175 B11R0.40 COC(=O)C#CCOCCCF d15b70f2c6877e2875c0740272113e58 [0,0,0,0,0,0|2,0,0]=2 176 B11R0.40 COC(=O)C#CCOCCCS 5dc0128a2ae3dcea5389061485a619c8 [0,0,0,0,0,0|2,0,0]=2 177 B11R0.40 COC(=O)C#CCOCCSC a0b15aba1659a5e9625488c7492e0d56 [0,0,0,0,0,0|2,0,0]=2 178 B11R0.40 COC(=O)C#CCOCSC#N 9e1f1e98b68e9448522c4a0ecf4c4403 [0,0,0,0,0,0|3,0,1]=4 179 B11R0.40 COC(=O)C=CCNCCCCl 6ce630bc119dac44a8a54c05960b10cf [0,0,0,0,0,0|2,0,2]=4 180 B11R0.40 COC(=O)C=CCNCCCO 8790e6d4575f3ac148bb52bd18349a88 [0,0,0,0,0,0|2,0,2]=4 181 B11R0.40 COC(=O)C=CCNCCSC 25007d804cda642b798a703773bb8aaf [0,0,0,0,0,0|2,0,2]=4 182 B11R0.40 COC(=O)C=CCOCCCF 286d146ffa5f200f251f77c80fc97c03 [0,0,0,0,0,0|2,0,2]=4 183 B11R0.40 COC(=O)C=CCOCCCS 756cc3caaee3807c3f46472f02b3489c [0,0,0,0,0,0|2,0,2]=4 184 B11R0.40 COC(=O)C=CCOCCSC 6a98899d57cefe83952824ad42a9f633 [0,0,0,0,0,0|2,0,2]=4 185 B11R0.40 COC(=O)CCCCCNCF 2fdeafd19615aabdfecac65c7ee85598 [0,0,0,0,0,0|2,0,2]=4 186 B11R0.40 COC(=O)CCCCCNCO af7eaee93a3fef3c4544e48a16c6e56f [0,0,0,0,0,0|2,0,2]=4 187 B11R0.40 COC(=O)CCCCCOCF 3b8a2ff8fc1bef6bde3b7c835f3e6a30 [0,0,0,0,0,0|2,0,2]=4 188 B11R0.40 COC(=O)CCCCNCCBr 389a9425bed3fc47018de90353426cdc [0,0,0,0,0,0|2,0,2]=4 189 B11R0.40 COC(=O)CCCCNCCF acdfcaf980a2e2514f502844739bd67a [0,0,0,0,0,0|2,0,2]=4 190 B11R0.40 COC(=O)CCCCNCCI 8fc5f158498fb34376eecf1a634e8fc5 [0,0,0,0,0,0|2,0,2]=4 191 B11R0.40 COC(=O)CCCCNCCO e7f0e01865858a91030334a948df571f [0,0,0,0,0,0|2,0,2]=4 192 B11R0.40 COC(=O)CCCCNCCS 530b407c8654dbd48105c768dba745e8 [0,0,0,0,0,0|2,0,2]=4 193 B11R0.40 COC(=O)CCCCNCSC a8830018c591017122980cf3745fb50b [0,0,0,0,0,0|2,0,2]=4 194 B11R0.40 COC(=O)CCCCOCCF 1d20051be253a43f413739bd5e7398e1 [0,0,0,0,0,0|2,0,2]=4 195 B11R0.40 COC(=O)CCCCOCCS 5f146b13f8bc53f0b1d9f8770994d494 [0,0,0,0,0,0|2,0,2]=4 196 B11R0.40 COC(=O)CCCCOCSC 0863b97c6be13255d8906e28183b8659 [0,0,0,0,0,0|2,0,2]=4 197 B11R0.40 COC(=O)CCCNCCCCl 8508da7d6b43fa27c5046753d4a650fb [0,0,0,0,0,0|2,0,2]=4 198 B11R0.40 COC(=O)CCCNCCCF c509034befe6b0b71c5e6bf9f704b220 [0,0,0,0,0,0|2,0,2]=4 199 B11R0.40 COC(=O)CCCNCCCO ae78a0866713110e761cbc6c0669803d [0,0,0,0,0,0|2,0,2]=4 200 B11R0.40 COC(=O)CCCNCCCS b8568108aca169fbbea4b0e8d5dcbc4d [0,0,0,0,0,0|2,0,2]=4 201 B11R0.40 COC(=O)CCCNCCSC 6bea0abab707a37e0a3725effd1a3095 [0,0,0,0,0,0|2,0,2]=4 202 B11R0.40 COC(=O)CCCOCCCF ad4a657375774e174695b5c380767605 [0,0,0,0,0,0|2,0,2]=4 203 B11R0.40 COC(=O)CCCOCCCS 614db15c725c13d73ce896e4a3526258 [0,0,0,0,0,0|2,0,2]=4 204 B11R0.40 COC(=O)CCCOCCSC a532869a6a9d1335d72148f96ad99d09 [0,0,0,0,0,0|2,0,2]=4 205 B11R0.40 COC(=O)CCNCCCCCl bb826384e531e4c800eddcc5d242e17f [0,0,0,0,0,0|2,0,2]=4 206 B11R0.40 COC(=O)CCNCCCCF d4b42e07dbe86fc7a477b2dc03e98869 [0,0,0,0,0,0|2,0,2]=4 207 B11R0.40 COC(=O)CCNCCCCO 01547e1a5ff564f49609eb19c19b3246 [0,0,0,0,0,0|2,0,2]=4 208 B11R0.40 COC(=O)CCNCCCCS e5445b20c264ac106343d36efa453bce [0,0,0,0,0,0|2,0,2]=4 209 B11R0.40 COC(=O)CCNCCCSC f634b170aff4c9918b899afbd28dc77d [0,0,0,0,0,0|2,0,2]=4 210 B11R0.40 COC(=O)CCOCCCCF fdd63d188c06e45bc0534668d783c9fe [0,0,0,0,0,0|2,0,2]=4 211 B11R0.40 COC(=O)CCOCCCCS 3b9308a913cffb35eed8fd20b29ba3e8 [0,0,0,0,0,0|2,0,2]=4 212 B11R0.40 COC(=O)CCOCCCSC b26f1a53d0c30e5fe57fe463fe93b69e [0,0,0,0,0,0|2,0,2]=4 213 B11R0.40 COC(=O)CNCCCCC#N 5be3186471a79c03b3ec14277a3d0965 [0,0,0,0,0,0|2,0,2]=4 214 B11R0.40 COC(=O)CNCCCCC=O 44cb8d3deb7b70f3ec297431d02ef7a4 [0,0,0,0,0,0|2,0,2]=4 215 B11R0.40 COC(=O)CNCCCCCCl 0c1d69aaf18f86e286dc851d6b343161 [0,0,0,0,0,0|2,0,1]=3 216 B11R0.40 COC(=O)CNCCCCCF 820ed3e8b866d3514f6760b96b1f6d43 [0,0,0,0,0,0|2,0,1]=3 217 B11R0.40 COC(=O)CNCCCCCO 5569fb90468880f109cc36d64e9a9a82 [0,0,0,0,0,0|2,0,1]=3 218 B11R0.40 COC(=O)CNCCCCON 5aa7e4651b3cc8fb416d227ed7612db7 [0,0,0,0,0,0|3,0,1]=4 219 B11R0.40 COC(=O)CNCCCCSC b2c17859876c00fe792d17efa257daec [0,0,0,0,0,0|2,0,1]=3 220 B11R0.40 COC(=O)CNCCOCCO d857fecd728df366e2e37ac1cfedb67c [0,0,0,0,0,0|3,0,1]=4 221 B11R0.40 COC(=O)CNCCOCCS 1695ce910485caa6bae6424b039a45e2 [0,0,0,0,0,0|3,0,1]=4 222 B11R0.40 COC(=O)CNCCSCCO 139acc59232a4499157abe36e901ccd6 [0,0,0,0,0,0|3,0,1]=4 223 B11R0.40 COC(=O)COCCCCC#N 1f2fdfb728a648fc7a05998668ac7b57 [0,0,0,0,0,0|2,0,2]=4 224 B11R0.40 COC(=O)COCCCCC=O c980f88c2addfeab188fbf48650b4298 [0,0,0,0,0,0|2,0,2]=4 225 B11R0.40 COC(=O)COCCCCCF cba36326a78ca1f965959e137fb7ac72 [0,0,0,0,0,0|2,0,1]=3 226 B11R0.40 COC(=O)COCCCCSC 447c9e188b6f6e43d32a8bc9d652b2ad [0,0,0,0,0,0|2,0,1]=3 227 B11R0.40 COC(=O)COCCCOCF 16bc0079c17fee6d4c7fe217a42855a3 [0,0,0,0,0,0|3,0,1]=4 228 B11R0.40 COC(=O)COCCNCCBr 4bec773a0c58356a00c8d6aaee402259 [0,0,0,0,0,0|3,0,1]=4 229 B11R0.40 COC(=O)COCCNCCF 18e11886c262cd7473c5f3dfa8890b9d [0,0,0,0,0,0|3,0,1]=4 230 B11R0.40 COC(=O)COCCNCCI dc9337944c8f41d1539a6744b2d7e6ba [0,0,0,0,0,0|3,0,1]=4 231 B11R0.40 COC(=O)COCCNCCO cb74cd831122e9df4bb8add78cdc15bb [0,0,0,0,0,0|3,0,1]=4 232 B11R0.40 COC(=O)COCCNCCS cf05785ecb758e5ac2a5b93c3a67dc09 [0,0,0,0,0,0|3,0,1]=4 233 B11R0.40 COC(=O)COCCOCCF ff3128386a5c1cb228a59813ed3d26ec [0,0,0,0,0,0|3,0,1]=4 234 B11R0.40 COC(=O)COCCOCCS af887c5e10625673873df556ffb66edd [0,0,0,0,0,0|3,0,1]=4 235 B11R0.40 COC(=O)COCCOCSC ca5bcabc5c9d48c8703ea3dd54208e5d [0,0,0,0,0,0|3,0,1]=4 236 B11R0.40 COC(=O)OCCOCCCF de029e7ac1644d7e90d3b7c22ec5348b [0,0,0,0,0,0|3,0,1]=4 237 B11R0.40 COC(=O)OCCOCCCS 89fffcc0bbee4cf534fff47521a1b7a2 [0,0,0,0,0,0|3,0,1]=4 238 B11R0.40 COC(=O)OCCOCCSC 2ceeed8cd5b255e33d51f776445a31a4 [0,0,0,0,0,0|3,0,1]=4 239 B11R0.40 COC(=O)OCNCCCCCl 4e9a14e548c308432e06e6dbfef901f0 [0,0,0,0,0,0|3,0,1]=4 240 B11R0.40 COC(=O)OCNCCCCO 0ccd9717301e3cf82ebb5da45eb3604c [0,0,0,0,0,0|3,0,1]=4 241 B11R0.40 COC(=O)OCNCCCCS 426dd4d42947f05957ddb7ca13ef8bef [0,0,0,0,0,0|3,0,1]=4 242 B11R0.40 COC(=O)OCNCCCSC 902e0b29940a4df3a1ba5a8130ae941a [0,0,0,0,0,0|3,0,1]=4 243 B11R0.40 COC(=O)OCOCCCCF fca55a25cec8b0cea6dae367d2cdc8ec [0,0,0,0,0,0|3,0,1]=4 244 B11R0.40 COC(=O)OCOCCCCS 385d9b18da918b0f0f3955a95adbad26 [0,0,0,0,0,0|3,0,1]=4 245 B11R0.40 COC(=O)OCOCCCSC d075f96e63d65a9fb63b5baec68d4274 [0,0,0,0,0,0|3,0,1]=4 246 B11R0.40 COCCCCNCC(=O)OC 047baeb57289bf0885885f64979f4866 [0,0,0,0,0,0|2,0,1]=3 247 B11R0.40 COCCCCOCC(=O)OC 931b9f10ba823e1596417b22b927de75 [0,0,0,0,0,0|2,0,1]=3 248 B11R0.40 COCCCNCCC(=O)OC e306541eb8340983226a2af15f8dfebb [0,0,0,0,0,0|2,0,2]=4 249 B11R0.40 COCCCNCOC(=O)OC 2b18f33f90e6c5cc10697137b589f815 [0,0,0,0,0,0|3,0,1]=4 250 B11R0.40 COCCCOCCC(=O)OC b4f1d1de8127af98e6f242234cd1ea0e [0,0,0,0,0,0|2,0,2]=4 251 B11R0.40 COCCCOCOC(=O)OC dfb6df9693f75e83ed062be54f66691e [0,0,0,0,0,0|3,0,1]=4 252 B11R0.40 COCCNC/C=C/C(=O)OC 6d1ac0fd530d9a5fe6d0b4126cf622b9 [0,0,0,0,0,0|2,0,2]=4 253 B11R0.40 COCCNC/C=C\C(=O)OC 80e62c5eb08d38a0ed1c91d32c2b40d1 [0,0,0,0,0,0|2,0,2]=4 254 B11R0.40 COCCNCC#CC(=O)OC 882ef41f72925e7f9d124ec45c550aa2 [0,0,0,0,0,0|2,0,0]=2 255 B11R0.40 COCCNCC=CC(=O)OC 703dcb542a725c8788a503f9b02f6e25 [0,0,0,0,0,0|2,0,2]=4 256 B11R0.40 COCCNCCCC(=O)OC 83cc4d7e4535f097edd93f9c804c386b [0,0,0,0,0,0|2,0,2]=4 257 B11R0.40 COCCOC/C=C/C(=O)OC 7700f5ad955e245cab5533a2256db2bb [0,0,0,0,0,0|2,0,2]=4 258 B11R0.40 COCCOC/C=C\C(=O)OC fe61f0871283c13ff7568ff5e501e76e [0,0,0,0,0,0|2,0,2]=4 259 B11R0.40 COCCOCC#CC(=O)OC 1b8052ac76aecb42d629a990daad9f80 [0,0,0,0,0,0|2,0,0]=2 260 B11R0.40 COCCOCC=CC(=O)OC d4c282d2521862001977ced1a31b3a9a [0,0,0,0,0,0|2,0,2]=4 261 B11R0.40 COCCOCCCC(=O)OC 99cf3628ca871405b6cc15b92d3d5b58 [0,0,0,0,0,0|2,0,2]=4 262 B11R0.40 COCCOCCOC(=O)OC 25c20c3eee60a7db8df16c9461ecbcb8 [0,0,0,0,0,0|3,0,1]=4 263 B11R0.40 COCCOCNCC(=O)OC ab0f82b071000d64fddbc5cb54fa100c [0,0,0,0,0,0|3,0,1]=4 264 B11R0.40 COCCOCOCC(=O)OC 44684d1343c616e87fc778e0ebb56e1f [0,0,0,0,0,0|3,0,1]=4 265 B11R0.40 COCNCCCCC(=O)OC ca301f2e53472380737e2e1a16df5a62 [0,0,0,0,0,0|2,0,2]=4 266 B11R0.40 COCOCCCCC(=O)OC 46187c7866992bbcae1859b32e6d100b [0,0,0,0,0,0|2,0,2]=4 267 B11R0.40 COCOCCNCC(=O)OC 8454ab259ca547f0dbb22448bd7df281 [0,0,0,0,0,0|3,0,1]=4 268 B11R0.40 COCOCCOCC(=O)OC 82f079e871292a54857bdc4b3014d475 [0,0,0,0,0,0|3,0,1]=4 269 B10R0.4 C#CCCNCC#CC(=O)O 66ea1d43749f8bb3fb0c892f875113da [1,0,0,0,0,0|1,0,2]=4 270 B10R0.4 C#CCCOCC#CC(=O)O 399f455e9fbe77ccbf39b48e675d696d [1,0,0,0,0,0|1,0,2]=4 271 B10R0.4 C#CCOCCC#CC(=O)O e234fb573104eb876731805dbd882b01 [1,0,0,0,0,0|1,0,2]=4 272 B10R0.4 C/C=C/CNCC#CC(=O)O 1bddcfe4336f7c63a7314d7b97628b67 [1,0,0,0,0,0|1,0,2]=4 273 B10R0.4 C/C=C/COCC#CC(=O)O a982669469945ddae88f1b52ed8ef25d [1,0,0,0,0,0|1,0,2]=4 274 B10R0.4 C/C=C\CNCC#CC(=O)O f3ed0319b76f62b8792ddb424c0f8a0c [1,0,0,0,0,0|1,0,2]=4 275 B10R0.4 C/C=C\COCC#CC(=O)O da8866774e8eb30a2c1c0f666b663f10 [1,0,0,0,0,0|1,0,2]=4 276 B10R0.4 C=C(C)CNCCCCCC 57e2209f6875fc62d2bad933ad5990a8 [1,0,0,0,0,0|2,0,1]=4 277 B10R0.4 C=C(C)COCCCCCC 18580082a3e432d96826bd208c01f2c4 [1,0,0,0,0,0|2,0,1]=4 278 B10R0.4 C=CCCNCC#CC(=O)O a0af9afa0f1dc30562cb135773773082 [1,0,0,0,0,0|1,0,2]=4 279 B10R0.4 C=CCCOCC#CC(=O)O 7d43fb86414b13af1b27f9428d83bc07 [1,0,0,0,0,0|1,0,2]=4 280 B10R0.4 C=CCOCCC#CC(=O)O bd03ac6fd32801821e7025c90c787824 [1,0,0,0,0,0|1,0,2]=4 281 B10R0.4 CC(=O)CNCCCCCF 14ed717f1f055fc3ffebcb0f3bb7f6ab [1,0,0,0,0,0|2,0,1]=4 282 B10R0.4 CC(=O)CNCCCCCO 64da7cdb6d2a9c33dc01f9b5a780e4d4 [1,0,0,0,0,0|2,0,1]=4 283 B10R0.4 CC(=O)COCCCCCF 7aec6ce84a2c3f216e8ae40d950f6334 [1,0,0,0,0,0|2,0,1]=4 284 B10R0.4 CC(=O)NCCCCCCCl f93e4eee74ea26870e48ebdfc4f07177 [1,0,0,0,0,0|2,0,1]=4 285 B10R0.4 CC(=O)NCCCCCCO f4c6533638e4e2bcf3850e47e46df271 [1,0,0,0,0,0|2,0,1]=4 286 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [1,0,0,0,0,0|1,0,1]=3 287 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [1,0,0,0,0,0|1,0,1]=3 288 B10R0.4 CCCCCCNCC(=O)N 3fae3fcfcc109d047ed465f3e2b847e2 [1,0,0,0,0,0|2,0,1]=4 289 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [1,0,0,0,0,0|1,0,1]=3 290 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [1,0,0,0,0,0|1,0,1]=3 291 B10R0.4 CCCCCCOCC(=O)N 9c51cacea528460eb1c6e4fbed6a2905 [1,0,0,0,0,0|2,0,1]=4 292 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [1,0,0,0,0,0|1,0,1]=3 293 B10R0.4 CCCCCCOCS(=O)O 2b6780218bd3498af4d92344e34b6465 [1,0,0,0,0,0|2,0,1]=4 294 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [1,0,0,0,0,0|1,0,2]=4 295 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [1,0,0,0,0,0|1,0,2]=4 296 B10R0.4 CCCCCNCOC(=O)C 35ef47aef23a171936e6801a261865e1 [1,0,0,0,0,0|2,0,1]=4 297 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [1,0,0,0,0,0|1,0,2]=4 298 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [1,0,0,0,0,0|1,0,2]=4 299 B10R0.4 CCCCCOCNC(=O)C 3014ea30bb40b67aa6a1ce125b435cc1 [1,0,0,0,0,0|2,0,1]=4 300 B10R0.4 CCCCCOCOC(=O)C 62a840560a1a56a085f7882cc96ba1f5 [1,0,0,0,0,0|2,0,1]=4 301 B10R0.4 CCCCNC/C=C/C(=O)O 47b1a103370b1a6a86bcade53e559dd6 [1,0,0,0,0,0|1,0,2]=4 302 B10R0.4 CCCCNCC#CC(=O)N 7265e951a49d0602acc14cd2a8d78d2a [1,0,0,0,0,0|2,0,0]=3 303 B10R0.4 CCCCNCC#CC(=O)O 8b42ea6f5918936295863b52eb2b06d1 [1,0,0,0,0,0|1,0,0]=2 304 B10R0.4 CCCCNCC=CC(=O)O f8dc0eb33b8e1238b7e6a28f8075ce7a [1,0,0,0,0,0|1,0,2]=4 305 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [1,0,0,0,0,0|1,0,2]=4 306 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [1,0,0,0,0,0|1,0,2]=4 307 B10R0.4 CCCCNCCNC(=O)C a0257fcf7897366323909d66114b6809 [1,0,0,0,0,0|2,0,1]=4 308 B10R0.4 CCCCNCCOC(=O)C dac752d37b046d20aa6fa7632de515a6 [1,0,0,0,0,0|2,0,1]=4 309 B10R0.4 CCCCNCCSC(=O)C 0ac4a109a3992122f41a3a955bc15a16 [1,0,0,0,0,0|2,0,1]=4 310 B10R0.4 CCCCOC/C=C/C(=O)O f8be4ebbb6c99643b3f6245797365927 [1,0,0,0,0,0|1,0,2]=4 311 B10R0.4 CCCCOCC#CC(=O)O 38cad6637629b89e3c26c481e48db3f0 [1,0,0,0,0,0|1,0,0]=2 312 B10R0.4 CCCCOCC=CC(=O)O a5c4798b7a417df05ba6cec5bd7ffd88 [1,0,0,0,0,0|1,0,2]=4 313 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [1,0,0,0,0,0|1,0,2]=4 314 B10R0.4 CCCCOCCNC(=O)C ddcfe368ad37fbe3701a827b8b343f83 [1,0,0,0,0,0|2,0,1]=4 315 B10R0.4 CCCCOCCOC(=O)C 8f9bbeb4cacbf148ed1331b02f645662 [1,0,0,0,0,0|2,0,1]=4 316 B10R0.4 CCCCOCCSC(=O)C cd6988dd5f5d2697eb1fd4eec9b07d56 [1,0,0,0,0,0|2,0,1]=4 317 B10R0.4 CCCCOCNCC(=O)C af2d8785a5c96c78e17462ebf7d0cbc7 [1,0,0,0,0,0|2,0,1]=4 318 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [1,0,0,0,0,0|2,0,1]=4 319 B10R0.4 CCCCOCOCC(=O)C de19627aa5bea52305b73b51889c5d58 [1,0,0,0,0,0|2,0,1]=4 320 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [1,0,0,0,0,0|2,0,1]=4 321 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [1,0,0,0,0,0|1,0,2]=4 322 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [1,0,0,0,0,0|1,0,2]=4 323 B10R0.4 CCCNCCCNC(=O)C 889a8f130116f443d6fd6e1232ef1497 [1,0,0,0,0,0|2,0,1]=4 324 B10R0.4 CCCNCCCOC(=O)C e1cec712d82f801a0d54d1944e98e203 [1,0,0,0,0,0|2,0,1]=4 325 B10R0.4 CCCNCCCSC(=O)C 2889b29bc4848ab93d3dd022a17fab90 [1,0,0,0,0,0|2,0,1]=4 326 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [1,0,0,0,0,0|2,0,1]=4 327 B10R0.4 CCCNCCSCC(=O)O 94cff0686c4de2d0110011adc5739807 [1,0,0,0,0,0|2,0,1]=4 328 B10R0.4 CCCOCCC#CC(=O)O f4d5055400d31c308ce57b5764e65d8e [1,0,0,0,0,0|1,0,0]=2 329 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [1,0,0,0,0,0|1,0,2]=4 330 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [1,0,0,0,0,0|1,0,2]=4 331 B10R0.4 CCCOCCCNC(=O)C 7a5b85034a356fda536fac05ed90cc22 [1,0,0,0,0,0|2,0,1]=4 332 B10R0.4 CCCOCCCOC(=O)C a4e530952a94d07d0a2346bd1f1072e5 [1,0,0,0,0,0|2,0,1]=4 333 B10R0.4 CCCOCCCSC(=O)C 79a61e06633112b372a67f8d0e405976 [1,0,0,0,0,0|2,0,1]=4 334 B10R0.4 CCCOCCNCC(=O)C ca708ee5deb46f0d1f0948a3a215a9a0 [1,0,0,0,0,0|2,0,1]=4 335 B10R0.4 CCCOCCNCC(=O)O 9f97370ef19b48f601d53c72298be028 [1,0,0,0,0,0|2,0,1]=4 336 B10R0.4 CCCOCCOCC(=O)C 8a0436c09947b0d42e02b341d19a096c [1,0,0,0,0,0|2,0,1]=4 337 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [1,0,0,0,0,0|2,0,1]=4 338 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [1,0,0,0,0,0|2,0,1]=4 339 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [1,0,0,0,0,0|1,0,2]=4 340 B10R0.4 CCNCCCCNC(=O)C 56499de7750c75071aaf8455aae5ba93 [1,0,0,0,0,0|2,0,1]=4 341 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [1,0,0,0,0,0|1,0,2]=4 342 B10R0.4 CCOCCCCOC(=O)C 136f9e9edd7237f018da84644cfcf35d [1,0,0,0,0,0|2,0,1]=4 343 B10R0.4 CCOCCCNCC(=O)C 26586e90bfaea7cf445b6081e122678a [1,0,0,0,0,0|2,0,1]=4 344 B10R0.4 CCOCCCNCC(=O)O 682f6d420ba5c774818f236d90f0fb13 [1,0,0,0,0,0|2,0,1]=4 345 B10R0.4 CCOCCCOCC(=O)C 454eab324c0bac50570ee31f562f3c52 [1,0,0,0,0,0|2,0,1]=4 346 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [1,0,0,0,0,0|2,0,1]=4 347 B10R0.4 CCOCNCC#CC(=O)N 683db6f71b4bb43d84affd2711f07aa1 [1,0,0,0,0,0|3,0,0]=4 348 B10R0.4 CCOCNCC#CC(=O)O 07753d2524434ce660704166d831380e [1,0,0,0,0,0|2,0,0]=3 349 B10R0.4 CCOCOCC#CC(=O)O 9fd8239bd681102debb1e17d97e4c1e2 [1,0,0,0,0,0|2,0,0]=3 350 B10R0.4 CCSCCCCNC(=O)C a92a124e17ab18927891ca9e4716ceb8 [1,0,0,0,0,0|2,0,1]=4 351 B10R0.4 CCSCCCNCC(=O)C e1d13e283a2d771ef21f5de250f59362 [1,0,0,0,0,0|2,0,1]=4 352 B10R0.4 CCSCCCNCC(=O)O 4844b03ae0e8362029b66cb17ab7da38 [1,0,0,0,0,0|2,0,1]=4 353 B10R0.4 CCSCCCOCC(=O)C c02cf25c3006eccd2ce0cd99c6e30a5c [1,0,0,0,0,0|2,0,1]=4 354 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [1,0,0,0,0,0|2,0,1]=4 355 B10R0.4 COCCCCCNC(=O)C bf09c8275c5b54d3f2dfe84453f1edeb [1,0,0,0,0,0|2,0,1]=4 356 B10R0.4 COCCCCNCC(=O)C cbfa920fe125fc55313b8605fe9796ca [1,0,0,0,0,0|2,0,1]=4 357 B10R0.4 COCCCCNCC(=O)O e7016d96fdd719c414f251fdf8041599 [1,0,0,0,0,0|2,0,1]=4 358 B10R0.4 COCCCCOCC(=O)C 1fb872d7e0dc73f602bada9dd9543de8 [1,0,0,0,0,0|2,0,1]=4 359 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [1,0,0,0,0,0|2,0,1]=4 360 B10R0.4 COCCNCC#CC(=O)N 3e0370b4b8a48995a85fe8ee2b362fba [1,0,0,0,0,0|3,0,0]=4 361 B10R0.4 COCCNCC#CC(=O)O 7f896907828465adac320dbfa42d3eb1 [1,0,0,0,0,0|2,0,0]=3 362 B10R0.4 COCCOCC#CC(=O)O efa7e98de9cba4622bbd17aaef09bdce [1,0,0,0,0,0|2,0,0]=3 363 B10R0.4 COCOCCC#CC(=O)O 20e4e7012eaa24c0ebd7801ec30bf8cb [1,0,0,0,0,0|2,0,0]=3 364 B10R0.4 CSCCCCNCC(=O)O fe5f17285810fe796abbdf4483e3c94f [1,0,0,0,0,0|2,0,1]=4 365 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [1,0,0,0,0,0|2,0,1]=4 366 B10R0.4 CSCCNCC#CC(=O)N 2cb9b214ca4d8b955bae77444715cddb [1,0,0,0,0,0|3,0,0]=4 367 B10R0.4 CSCCNCC#CC(=O)O 9beba50b84dac3b96b5cab73e536e83f [1,0,0,0,0,0|2,0,0]=3 368 B10R0.4 CSCCOCC#CC(=O)O bd0e1d032df32016637158c474154032 [1,0,0,0,0,0|2,0,0]=3 369 B10R0.4 CSCOCCC#CC(=O)O 1fe9de62f34aaf3cfb22cb3fd40d84b7 [1,0,0,0,0,0|2,0,0]=3 370 B10R0.4 N#CCCNCC#CC(=O)O 3acc713a075531a1979637abcc9aeab8 [1,0,0,0,0,0|2,0,1]=4 371 B10R0.4 N#CCCOCC#CC(=O)O 4c76f943ff5feadee3a5b12e6140ba5b [1,0,0,0,0,0|2,0,1]=4 372 B10R0.4 N#CCOCCC#CC(=O)O e69863458cb2f3bf12527045df320f7c [1,0,0,0,0,0|2,0,1]=4 373 B10R0.4 NC(=O)C#CCNCCCF e61d553a7c36e1a3a36d2c08f61a45fa [1,0,0,0,0,0|3,0,0]=4 374 B10R0.4 NC(=O)C#CCNCCCO cbe1fbcd8a2b9a2231917aea04f65f86 [1,0,0,0,0,0|3,0,0]=4 375 B10R0.4 NC(=O)C#CCNCCCS 55161c2cea36043d214a8afcce4623f0 [1,0,0,0,0,0|3,0,0]=4 376 B10R0.4 O=C(O)C#CCCOCCF 978133a64cd0700bc635be5edbebc5c5 [1,0,0,0,0,0|2,0,0]=3 377 B10R0.4 O=C(O)C#CCCOCCS c1d5b5482cd14b46e8ffc5d82f0d5513 [1,0,0,0,0,0|2,0,0]=3 378 B10R0.4 O=C(O)C#CCNCCCF 9fcede68357c8b8a84d0eccf60d3608e [1,0,0,0,0,0|2,0,0]=3 379 B10R0.4 O=C(O)C#CCNCCCO a954b150cfc828e11ea8ca9912a3c638 [1,0,0,0,0,0|2,0,0]=3 380 B10R0.4 O=C(O)C#CCNCCCS f0d5b613e31cd7b0ef77e717544779be [1,0,0,0,0,0|2,0,0]=3 381 B10R0.4 O=C(O)C#CCOCCCF d5c8dde9d08c586b5cdcff6c7664f6da [1,0,0,0,0,0|2,0,0]=3 382 B10R0.4 O=C(O)C#CCOCCCS a05e4b1c0a363c745c35c8ef39d33cd7 [1,0,0,0,0,0|2,0,0]=3 383 B10R0.4 O=C(O)CNCCCCCCl a83b6bb993dd65ffba33eb2586cdf494 [1,0,0,0,0,0|2,0,1]=4 384 B10R0.4 O=C(O)CNCCCCCF 4dbeaa853a61d08f169520460ad25911 [1,0,0,0,0,0|2,0,1]=4 385 B10R0.4 O=C(O)CNCCCCCO 95121d7be2e3a87e4e81ec26c166df24 [1,0,0,0,0,0|2,0,1]=4 386 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [1,0,0,0,0,0|2,0,1]=4 387 B10R0.4 O=CCCNCC#CC(=O)O 93acde3b0b8d970f549b501b0afe5381 [1,0,0,0,0,0|2,0,1]=4 388 B10R0.4 O=CCCOCC#CC(=O)O 6d979bdb6100e88c965c09d95a3daf4a [1,0,0,0,0,0|2,0,1]=4 389 B10R0.4 O=CCOCCC#CC(=O)O 9038c2aaa9ceb3a7f94bbdb198ba9251 [1,0,0,0,0,0|2,0,1]=4 390 B10R0.71 C/C=C/CNCCCCCC 23f0bb0d5026d859ab84031e8dc94320 [1,0,0,0,0,0|2,0,1]=4 391 B10R0.71 C/C=C/COCCCCCC 2cc86534d43c03349a69990f00a712f1 [1,0,0,0,0,0|2,0,1]=4 392 B10R0.71 C/C=C\CNCCCCCC 51c50a34f77d344a6f9e8db0e46ec177 [1,0,0,0,0,0|2,0,1]=4 393 B10R0.71 C/C=C\COCCCCCC c3215f168781748ebc00617e7f23375f [1,0,0,0,0,0|2,0,1]=4 394 B10R0.71 CC=CC#CCCOCCC 2fe89f750339accaa9bee2bbc67b9157 [1,0,0,0,0,0|2,0,0]=3 395 B10R0.71 CC=CC#CCCOCCF de16ed1200f99944b659e30d3f1d451d [1,0,0,0,0,0|3,0,0]=4 396 B10R0.71 CC=CC#CCCOCCS 1438dc6918f1234ee31763a793ea9857 [1,0,0,0,0,0|3,0,0]=4 397 B10R0.71 CC=CC#CCCOCOC 400c25a6ae449e9db1951f7a681e4192 [1,0,0,0,0,0|3,0,0]=4 398 B10R0.71 CC=CC#CCCOCSC 2853289ca4dff90c4f76b8f4b98269b6 [1,0,0,0,0,0|3,0,0]=4 399 B10R0.71 CC=CCNCCCCCC a2b3321184d80eccc150605d97b3fa96 [1,0,0,0,0,0|2,0,1]=4 400 B10R0.71 CC=CCOCCCCCC a58ad78e13367fd9a0795b0d0efdc386 [1,0,0,0,0,0|2,0,1]=4 401 B10R0.71 CCCC#CCCOCCC 9d371ccc704f01f8e34c17fed94acae5 [1,0,0,0,0,0|2,0,1]=4 402 B10R0.71 CCCC#CCOCCCC 3a9b7ab043d317d55165792d5b31d2df [1,0,0,0,0,0|2,0,1]=4 403 B10R0.71 CCCCCCCNCOC f2d51f45d743c2c6bb60d201a5c48204 [1,0,0,0,0,0|1,0,2]=4 404 B10R0.71 CCCCCCCOCOC 5ce19ed9c6e4108e173e3dc063eaeb4e [1,0,0,0,0,0|1,0,2]=4 405 B10R0.71 CCCCCCNCCOC d8a9b2ae4f4d1a2408c43a2120d332fc [1,0,0,0,0,0|1,0,2]=4 406 B10R0.71 CCCCCCOCCOC 498c1d974b36c5798a5345f99389e8d2 [1,0,0,0,0,0|1,0,2]=4 407 B10R0.71 CCCCNCC#CCOC 89eca2f6914d26fc7c7543dc1d4222e6 [1,0,0,0,0,0|1,0,1]=3 408 B10R0.71 CCCCOCC#CCOC f1c45d9ebae78802877856471e52208d [1,0,0,0,0,0|1,0,1]=3 409 B10R0.71 COCC#CCNCCCCl f769b7d66f885078fd785763040bec13 [1,0,0,0,0,0|2,0,1]=4 410 B10R0.71 COCC#CCNCCCO 749f0c9705ff4501324284317dd0e68d [1,0,0,0,0,0|2,0,1]=4 411 B10R0.71 COCC#CCNCCOC b8f8ceb1a7c5e8c62700250568d25542 [1,0,0,0,0,0|2,0,1]=4 412 B10R0.71 COCC#CCNCCSC ea99b27599e7f5720c4e9f41b3f85c91 [1,0,0,0,0,0|2,0,1]=4 413 B10R0.71 COCC#CCOCCCF a41f2e42fddc078af57c2ac1039dda8f [1,0,0,0,0,0|2,0,1]=4 414 B10R0.71 COCC#CCOCCOC 966b358034085cd17a264023f32a8d99 [1,0,0,0,0,0|2,0,1]=4 415 B10R0.71 COCC#CCOCCSC aa2fe7a6a1a6b35ee105560623f1505f [1,0,0,0,0,0|2,0,1]=4 416 B10R0.74 C#CC(=O)NCCCCCC 9ce0dcb0417530c831957f5468426ec6 [1,0,0,0,0,0|2,0,1]=4 417 B10R0.74 C#CCNCC#CC(=O)OC 1421cb9d6d2a36a269d5c1558be17b02 [1,0,0,0,0,0|1,0,2]=4 418 B10R0.74 C#CCOCC#CC(=O)OC 5cef1f26eec9cc0f39b31254402751a3 [1,0,0,0,0,0|1,0,2]=4 419 B10R0.74 C=C(CNCCCCC)OC 7ceed52b8862c2740fad9864ee680023 [1,0,0,0,0,0|2,0,1]=4 420 B10R0.74 C=C(COCCCCC)OC 1bd3146a306a9b176c071f317d4b189d [1,0,0,0,0,0|2,0,1]=4 421 B10R0.74 C=CC(=O)NCCCCCC 88ce4279cd9f4230d78384982723ab15 [1,0,0,0,0,0|2,0,1]=4 422 B10R0.74 C=CCOCC#CC(=O)OC 085436cae15e7910cd86c744cd934aed [1,0,0,0,0,0|1,0,2]=4 423 B10R0.74 CCC(=O)NCCCCCCl 719912c2fc32999aaca586ce6a33a4fc [1,0,0,0,0,0|3,0,0]=4 424 B10R0.74 CCC(=O)NCCCCCO 1c6fabc29010351852246ff1decd06a1 [1,0,0,0,0,0|3,0,0]=4 425 B10R0.74 CCC(=O)NCCCCOC 304fb086e3dbdc4472ef768bd3e17d25 [1,0,0,0,0,0|3,0,0]=4 426 B10R0.74 CCC(=O)NCCCCSC e2aaa2c9252a2834ce862f0cb7545c18 [1,0,0,0,0,0|3,0,0]=4 427 B10R0.74 CCCCCCNC(=O)C=O 77542971675e4c1be34f9cc380438664 [1,0,0,0,0,0|3,0,0]=4 428 B10R0.74 CCCCCCNC(=O)CC f0032df3cc8c2000bc1576b718e1412f [1,0,0,0,0,0|2,0,0]=3 429 B10R0.74 CCCCCCNC(=O)CF 738680f040b17c056aa0d8344a6ec8af [1,0,0,0,0,0|3,0,0]=4 430 B10R0.74 CCCCCCNC(=O)CO e8cf9f23cdf04b79897a080a69f10636 [1,0,0,0,0,0|3,0,0]=4 431 B10R0.74 CCCCCCNC(=O)CS 3e91e20700d92addaced40b0a6fc3a10 [1,0,0,0,0,0|3,0,0]=4 432 B10R0.74 CCCCCNCC(=O)CC 9dd2e224792ae6d66bce0b7cb1ae679b [1,0,0,0,0,0|2,0,1]=4 433 B10R0.74 CCCCCNCC(=O)NC 824806198187a2c8b60b648f0512f923 [1,0,0,0,0,0|2,0,1]=4 434 B10R0.74 CCCCCNCC(=O)OC 648365248fe1587b1bbc2cd6174118d5 [1,0,0,0,0,0|1,0,1]=3 435 B10R0.74 CCCCCOCC(=O)CC dbc68622c1630e1162d4ac42bae10c20 [1,0,0,0,0,0|2,0,1]=4 436 B10R0.74 CCCCCOCC(=O)NC 7963aeae3ec675f3acaacb8898855202 [1,0,0,0,0,0|2,0,1]=4 437 B10R0.74 CCCCCOCC(=O)OC b7118d3515803bc38039c9851ac2a113 [1,0,0,0,0,0|1,0,1]=3 438 B10R0.74 CCCCNCCC(=O)NC 9358a84b45aa382250269cc4a432e002 [1,0,0,0,0,0|2,0,1]=4 439 B10R0.74 CCCCNCCC(=O)OC 09ad74908609854771fdcf0490c9897c [1,0,0,0,0,0|1,0,1]=3 440 B10R0.74 CCCCNCOC(=O)CC e0b802cea9bb962c4bfe33b428a79424 [1,0,0,0,0,0|3,0,0]=4 441 B10R0.74 CCCCNCOC(=O)OC b9862ebe4e8cf9ca635d6e2c0b6a69d3 [1,0,0,0,0,0|2,0,0]=3 442 B10R0.74 CCCCOCCC(=O)NC 45b320f2a23c3fb98d60c20a9148826e [1,0,0,0,0,0|2,0,1]=4 443 B10R0.74 CCCCOCCC(=O)OC e3be7e6d51b5d91e883aedbf1fdb6a9f [1,0,0,0,0,0|1,0,1]=3 444 B10R0.74 CCCCOCOC(=O)CC 79f92447ebf68bdbe7c87af9f238ac09 [1,0,0,0,0,0|3,0,0]=4 445 B10R0.74 CCCCOCOC(=O)OC f2b08abd9d6a5d7efd1cbb987a41251e [1,0,0,0,0,0|2,0,0]=3 446 B10R0.74 CCCNC/C=C/C(=O)OC d187b40bc82130c5216e6dc2996aa46d [1,0,0,0,0,0|1,0,2]=4 447 B10R0.74 CCCNC/C=C\C(=O)OC d531e3c68942266bed58d1eba3e9966a [1,0,0,0,0,0|1,0,2]=4 448 B10R0.74 CCCNCC#CC(=O)OC fa9c5088cb0bba6fdab9fe49508304f7 [1,0,0,0,0,0|1,0,0]=2 449 B10R0.74 CCCNCC=CC(=O)OC 350c6262148a20258506775102337b8b [1,0,0,0,0,0|1,0,2]=4 450 B10R0.74 CCCNCCCC(=O)NC a3b31883785f33a03890cefb42b1d82a [1,0,0,0,0,0|2,0,1]=4 451 B10R0.74 CCCNCCCC(=O)OC b16643f72059eae0ad94565e3f229a1f [1,0,0,0,0,0|1,0,1]=3 452 B10R0.74 CCCNCCNC(=O)CC 654790e0c463f303ea5b5f1e104b3b23 [1,0,0,0,0,0|3,0,0]=4 453 B10R0.74 CCCOC/C=C/C(=O)OC bfce11a355dc4f4a5487c0dbb8f55e6b [1,0,0,0,0,0|1,0,2]=4 454 B10R0.74 CCCOC/C=C\C(=O)OC dcfa8ae3af300ec4f68156f25ffba366 [1,0,0,0,0,0|1,0,2]=4 455 B10R0.74 CCCOCC#CC(=O)OC c1615b7f88b4176630c07fca414f7744 [1,0,0,0,0,0|1,0,0]=2 456 B10R0.74 CCCOCC=CC(=O)OC 6c5e7ef1753396b9c64f09bd9c14ee05 [1,0,0,0,0,0|1,0,2]=4 457 B10R0.74 CCCOCCCC(=O)NC 47cc15a6d3336cd77ff2e352f7e46945 [1,0,0,0,0,0|2,0,1]=4 458 B10R0.74 CCCOCCCC(=O)OC 6777d826a7092669282f32ac583d5482 [1,0,0,0,0,0|1,0,1]=3 459 B10R0.74 CCCOCCNC(=O)CC 37663f297721ace7d18f666f43feb975 [1,0,0,0,0,0|3,0,0]=4 460 B10R0.74 CCCOCCOC(=O)CC 0266b80a03c10e2cb61b113dd4b9130c [1,0,0,0,0,0|3,0,0]=4 461 B10R0.74 CCCOCCOC(=O)OC 19df69bdbd15a1dd1020380f97d55a25 [1,0,0,0,0,0|2,0,0]=3 462 B10R0.74 CCNCCCCC(=O)OC 2fc49225e902a66c0506ebb2378fe230 [1,0,0,0,0,0|1,0,1]=3 463 B10R0.74 CCOCCCCC(=O)OC 26c440802f326860db2c18e76f91ac90 [1,0,0,0,0,0|1,0,1]=3 464 B10R0.74 CCOCCCNC(=O)CC 32ec07714ce8038f039e2cd922179ddc [1,0,0,0,0,0|3,0,0]=4 465 B10R0.74 CCOCCNCC(=O)OC 4e8de05c8bba98d3809ba8d488720d7e [1,0,0,0,0,0|2,0,1]=4 466 B10R0.74 CCOCCOCC(=O)OC a85fffda64a094bd9fa34bf171e10958 [1,0,0,0,0,0|2,0,1]=4 467 B10R0.74 CCOCNCCC(=O)OC d1aa96682cb912ad175d4f3af69a7407 [1,0,0,0,0,0|2,0,1]=4 468 B10R0.74 CCOCOCCC(=O)OC a1011f85baa037966a10f0db7d9f71d6 [1,0,0,0,0,0|2,0,1]=4 469 B10R0.74 CCSCCNCC(=O)OC 1ffb21202fa1cb9c1e862f710d175ea3 [1,0,0,0,0,0|2,0,1]=4 470 B10R0.74 CCSCCOCC(=O)OC 5721b0d191f483b2c5970b87ced2a450 [1,0,0,0,0,0|2,0,1]=4 471 B10R0.74 COC(=O)C#CCNCC#N daf58fae88ceb87f1fa66b1eed5b31d8 [1,0,0,0,0,0|2,0,1]=4 472 B10R0.74 COC(=O)C#CCNCCBr 2f8788ed034431aaf7f25f66c4c00fbf [1,0,0,0,0,0|2,0,0]=3 473 B10R0.74 COC(=O)C#CCNCCF 385cb00a32ba280e9f6d935b5ae15972 [1,0,0,0,0,0|2,0,0]=3 474 B10R0.74 COC(=O)C#CCNCCI 6cb400be253d289841d0374293316d12 [1,0,0,0,0,0|2,0,0]=3 475 B10R0.74 COC(=O)C#CCNCCO 265ae654bd478066054f30c9abfb6934 [1,0,0,0,0,0|2,0,0]=3 476 B10R0.74 COC(=O)C#CCNCCS 1d0ccaa47ac22255cca3b8a3f0d74ec6 [1,0,0,0,0,0|2,0,0]=3 477 B10R0.74 COC(=O)C#CCOCC#N e546cef41dd2779567760d8f5b04a535 [1,0,0,0,0,0|2,0,1]=4 478 B10R0.74 COC(=O)C#CCOCC=O fe48bf76fab9f8c340340e6b73894079 [1,0,0,0,0,0|2,0,1]=4 479 B10R0.74 COC(=O)C#CCOCCF 09d8c8ea2115696ec46c0a9065467458 [1,0,0,0,0,0|2,0,0]=3 480 B10R0.74 COC(=O)C#CCOCCS c23fb0be8b7a2d6b3601f690a400f823 [1,0,0,0,0,0|2,0,0]=3 481 B10R0.74 COC(=O)C#CCOCSC ec259ef015d4b8937b2f12d39663b63e [1,0,0,0,0,0|2,0,0]=3 482 B10R0.74 COC(=O)CCCCNCF 24fe1f8ef5e7f92df15e23d781c2bda6 [1,0,0,0,0,0|2,0,1]=4 483 B10R0.74 COC(=O)CCCCNCO f030f24f4426fe74e7d8ea04e70e74ca [1,0,0,0,0,0|2,0,1]=4 484 B10R0.74 COC(=O)CCCCOCF 174910bab2d037713b18a265a8f3f46a [1,0,0,0,0,0|2,0,1]=4 485 B10R0.74 COC(=O)CCCNCCBr 9c51d334e0953320e19fea85b6b1fd6c [1,0,0,0,0,0|2,0,1]=4 486 B10R0.74 COC(=O)CCCNCCF ab83e9b19a9d2139da2ebfe0bd5d3b37 [1,0,0,0,0,0|2,0,1]=4 487 B10R0.74 COC(=O)CCCNCCI e868fd7399f288687e6a6c32f65774b5 [1,0,0,0,0,0|2,0,1]=4 488 B10R0.74 COC(=O)CCCNCCO 8668c445b163b442f85ab895d00987c8 [1,0,0,0,0,0|2,0,1]=4 489 B10R0.74 COC(=O)CCCNCCS d701e11e7ad693a35efd750085305a74 [1,0,0,0,0,0|2,0,1]=4 490 B10R0.74 COC(=O)CCCNCSC faedf9d17f7f69f05e860d9f4c2eedac [1,0,0,0,0,0|2,0,1]=4 491 B10R0.74 COC(=O)CCCOCCF 7a0d6361420304c7bd4ae6ecca548250 [1,0,0,0,0,0|2,0,1]=4 492 B10R0.74 COC(=O)CCCOCCS c957c36687ac3de604796819e2d658fc [1,0,0,0,0,0|2,0,1]=4 493 B10R0.74 COC(=O)CCNCCCCl fcdabf0770998f9d46c59cfa4e7bc088 [1,0,0,0,0,0|2,0,1]=4 494 B10R0.74 COC(=O)CCNCCCF 2069cb4a743aa178a680e4a0d2a4552a [1,0,0,0,0,0|2,0,1]=4 495 B10R0.74 COC(=O)CCNCCCO e96655e5337f5162972d522187b13057 [1,0,0,0,0,0|2,0,1]=4 496 B10R0.74 COC(=O)CCNCCCS 91305a6874847a37968800110fe7e78a [1,0,0,0,0,0|2,0,1]=4 497 B10R0.74 COC(=O)CCNCCSC 9e4c27bedbde00d5252809e0aa58c89e [1,0,0,0,0,0|2,0,1]=4 498 B10R0.74 COC(=O)CCOCCCF 0aefebceea2c1de4d61a01719abc4a0b [1,0,0,0,0,0|2,0,1]=4 499 B10R0.74 COC(=O)CCOCCCS 5520c0b92e39a85c24dc627f637a0781 [1,0,0,0,0,0|2,0,1]=4 500 B10R0.74 COC(=O)CCOCCSC fdd64bc9ba11e14400f289a9f49df6a4 [1,0,0,0,0,0|2,0,1]=4 501 B10R0.74 COC(=O)CNCCCCCl 5e9c4c1e412ed1d57e7a65a24f3d16e9 [1,0,0,0,0,0|2,0,1]=4 502 B10R0.74 COC(=O)CNCCCCF 9c6b6f9c58be9fe01b9d5c3b50313ca6 [1,0,0,0,0,0|2,0,1]=4 503 B10R0.74 COC(=O)CNCCCCO ea42ac0b81f4922b97a1f7174639fed1 [1,0,0,0,0,0|2,0,1]=4 504 B10R0.74 COC(=O)CNCCCCS 81de9b1e99aeb0dc4a838becc69c5385 [1,0,0,0,0,0|2,0,1]=4 505 B10R0.74 COC(=O)CNCCCSC 5fac51759d1aaf12d9eb7dac1709d600 [1,0,0,0,0,0|2,0,1]=4 506 B10R0.74 COC(=O)COCCCCF 004fc87d8325e555e0ba69b8de39ce15 [1,0,0,0,0,0|2,0,1]=4 507 B10R0.74 COC(=O)COCCCCS 66361017a5f0eedafd224c8fdcb3465c [1,0,0,0,0,0|2,0,1]=4 508 B10R0.74 COC(=O)COCCCSC cccf2e9fa2ee0349c1d66b0bc4f29a76 [1,0,0,0,0,0|2,0,1]=4 509 B10R0.74 COC(=O)OCCOCCF 3e93e2da9fd5bb891a00a4d9e4ff966c [1,0,0,0,0,0|3,0,0]=4 510 B10R0.74 COC(=O)OCCOCCS 4f916091a7653337bd8b08ea257c2679 [1,0,0,0,0,0|3,0,0]=4 511 B10R0.74 COC(=O)OCCOCSC 26e45fce16a76890b8820ac852cfbbed [1,0,0,0,0,0|3,0,0]=4 512 B10R0.74 COC(=O)OCNCCCCl d79540cf63b385e5a7bb99911ba947b9 [1,0,0,0,0,0|3,0,0]=4 513 B10R0.74 COC(=O)OCNCCCO aa57fdea458b9cde3098f1b2b1cac60d [1,0,0,0,0,0|3,0,0]=4 514 B10R0.74 COC(=O)OCNCCSC 5226cf2e698b7b2701cdb1ea5e1ff800 [1,0,0,0,0,0|3,0,0]=4 515 B10R0.74 COC(=O)OCOCCCF 0bd11ef2421d394ee1fc14f2647065ad [1,0,0,0,0,0|3,0,0]=4 516 B10R0.74 COC(=O)OCOCCCS e0aafe56f3d968247475b6fe1690b9c8 [1,0,0,0,0,0|3,0,0]=4 517 B10R0.74 COC(=O)OCOCCSC d1a8d2ca5dd68b79bcb6ee0a01436975 [1,0,0,0,0,0|3,0,0]=4 518 B10R0.74 COCCCNCC(=O)OC 32312a1b3f85bb4e70f6e4e37ca6fef7 [1,0,0,0,0,0|2,0,1]=4 519 B10R0.74 COCCCOCC(=O)OC d608caa140492e0b0fcb94dda1926cf5 [1,0,0,0,0,0|2,0,1]=4 520 B10R0.74 COCCNCCC(=O)OC 7c1ddb99a5aa10e5cebf2f0a1943a5a1 [1,0,0,0,0,0|2,0,1]=4 521 B10R0.74 COCCNCOC(=O)OC 6381be7280054d6355fce5e1cfbfa9ed [1,0,0,0,0,0|3,0,0]=4 522 B10R0.74 COCCOCCC(=O)OC 9517e4d9c854e0a6d5b0b99ca928d942 [1,0,0,0,0,0|2,0,1]=4 523 B10R0.74 COCCOCOC(=O)OC a5c2d2e6baaf0a1567c032e04db1bf65 [1,0,0,0,0,0|3,0,0]=4 524 B10R0.74 COCNCCCC(=O)OC 085c0ab887f5e3d1ddfd29e981267fd3 [1,0,0,0,0,0|2,0,1]=4 525 B10R0.74 COCOCC#CC(=O)OC 645b6c231b14868707c9252c61723d99 [1,0,0,0,0,0|2,0,0]=3 526 B10R0.74 COCOCCCC(=O)OC b68fbbe3b66cde135d1c1e599e84c93f [1,0,0,0,0,0|2,0,1]=4 527 B10R0.74 COCOCCOC(=O)OC 40eecdd82c26596431406769198420fd [1,0,0,0,0,0|3,0,0]=4 528 B12R0.1 C#CCCOCC#CC(=O)OCC 74fcbb9f7230e4274e48e62c713c5630 [0,1,0,0,0,0|1,0,2]=4 529 B12R0.1 C/C=C/C(=O)NCCCCCCC 143aedf4a24336379d4af9ae7f8e7244 [0,1,0,0,0,0|2,0,1]=4 530 B12R0.1 C/C=C/COCC#CC(=O)OCC a78721b7d532529eff22cf13ce2ce8b2 [0,1,0,0,0,0|1,0,2]=4 531 B12R0.1 C/C=C\COCC#CC(=O)OCC 670987267fa96e2ea507935523e92fd8 [0,1,0,0,0,0|1,0,2]=4 532 B12R0.1 C=CCCOCC#CC(=O)OCC cad91c1a8673eb8731f14a98ee288a3c [0,1,0,0,0,0|1,0,2]=4 533 B12R0.1 C=COC(=O)CNCCCCCC e9ae05b3b71f216c904e41e0357eb5ac [0,1,0,0,0,0|1,0,2]=4 534 B12R0.1 C=COC(=O)COCCCCCC 73f13ae300b8e438635aeb67c6c4b1c0 [0,1,0,0,0,0|1,0,2]=4 535 B12R0.1 CC#CC(=O)NCCCCCCC 9dc706b7e8ba935d6397c1b687367039 [0,1,0,0,0,0|2,0,1]=4 536 B12R0.1 CCCCCCCNC(=O)CCC cc2f9bb62ae47c3d56fe2447919a6820 [0,1,0,0,0,0|2,0,1]=4 537 B12R0.1 CCCCCCCNC(=O)CCF fa0b05635b6bfb27486c6422091cb933 [0,1,0,0,0,0|2,0,1]=4 538 B12R0.1 CCCCCCCNC(=O)CCO 343037cb27d2431bfada229e8eb220ca [0,1,0,0,0,0|2,0,1]=4 539 B12R0.1 CCCCCCCNC(=O)CCS e56e6d944e0a2c16d5f7d697345a11f7 [0,1,0,0,0,0|2,0,1]=4 540 B12R0.1 CCCCCCCNC(=O)COC 193e0da5b2923750db7cb40f6b96f198 [0,1,0,0,0,0|1,0,1]=3 541 B12R0.1 CCCCCCCNC(=O)CON 805f1318c8e41cd79c4b07ee2a157072 [0,1,0,0,0,0|2,0,1]=4 542 B12R0.1 CCCCCCCNC(=O)CSC 7a958c47d32a819174cd82af4a8b4478 [0,1,0,0,0,0|1,1,1]=4 543 B12R0.1 CCCCCCNCC(=O)CCC f47dda3d1f83759950f26c4f3e9b6cda [0,1,0,0,0,0|2,0,1]=4 544 B12R0.1 CCCCCCNCC(=O)COC fdaf82dcdc1091c41ce15fe821b1dfd3 [0,1,0,0,0,0|1,0,1]=3 545 B12R0.1 CCCCCCNCC(=O)NCC 9289ae5a2cd52bef677cbf2896aad3e1 [0,1,0,0,0,0|2,0,1]=4 546 B12R0.1 CCCCCCNCC(=O)NCO 98a14368a8997b39c86f3cfc4e54affb [0,1,0,0,0,0|2,0,1]=4 547 B12R0.1 CCCCCCNCC(=O)OCC 6be77b6d291e5bcb1b5ee543218d2829 [0,1,0,0,0,0|1,0,1]=3 548 B12R0.1 CCCCCCOCC(=O)CCC a26767bbedda544e6a69ee985b0c3dee [0,1,0,0,0,0|2,0,1]=4 549 B12R0.1 CCCCCCOCC(=O)COC e8fe61cc4918a2434916dd7e928678a8 [0,1,0,0,0,0|1,0,1]=3 550 B12R0.1 CCCCCCOCC(=O)NCC b3fb8ad45dd10df9af353f6793a9e4c8 [0,1,0,0,0,0|2,0,1]=4 551 B12R0.1 CCCCCCOCC(=O)OCC bbe6630c73c21fc02210547f28d8da58 [0,1,0,0,0,0|1,0,1]=3 552 B12R0.1 CCCCCNCCC(=O)OCC ccfebc809b095b1cf38f2ca180de6861 [0,1,0,0,0,0|1,0,2]=4 553 B12R0.1 CCCCCNCOC(=O)OCC 68c2ca21685c705ec33c7083f32cd13e [0,1,0,0,0,0|2,0,1]=4 554 B12R0.1 CCCCCOCCC(=O)OCC 0e8d283a882f47cc8cf67da5cc42052f [0,1,0,0,0,0|1,0,2]=4 555 B12R0.1 CCCCCOCOC(=O)OCC 69d9cd494ae71bfbe851f78311fd2ef7 [0,1,0,0,0,0|2,0,1]=4 556 B12R0.1 CCCCNC/C=C/C(=O)OCC 1ed5449023ba030743a3ae056eca355b [0,1,0,0,0,0|1,0,2]=4 557 B12R0.1 CCCCNCC=CC(=O)OCC dc25e93e632bd5eebd16694cb89d7b9d [0,1,0,0,0,0|1,0,2]=4 558 B12R0.1 CCCCNCCCC(=O)OCC 8b28206bbb47bf0a96f03d9b954c92cc [0,1,0,0,0,0|1,0,2]=4 559 B12R0.1 CCCCOC/C=C/C(=O)OCC e181cd6e2cd1be5c79bb3d0735422fe2 [0,1,0,0,0,0|1,0,2]=4 560 B12R0.1 CCCCOCC#CC(=O)OCC db21299404520e568d0a62d2caca2057 [0,1,0,0,0,0|1,0,0]=2 561 B12R0.1 CCCCOCC=CC(=O)OCC a47918836e21ce5e28774d557ccd72ac [0,1,0,0,0,0|1,0,2]=4 562 B12R0.1 CCCCOCCCC(=O)OCC 911ef1f6024850e2650d76a8173e5556 [0,1,0,0,0,0|1,0,2]=4 563 B12R0.1 CCCCOCCNC(=O)COC 78670faf01e91a127ed9c62498b397c9 [0,1,0,0,0,0|2,0,1]=4 564 B12R0.1 CCCCOCNCC(=O)OCC faabb817975ddf6641c6b9f6c190b083 [0,1,0,0,0,0|2,0,1]=4 565 B12R0.1 CCCCOCOCC(=O)OCC 935958810e74725b96744c4ceee01b4a [0,1,0,0,0,0|2,0,1]=4 566 B12R0.1 CCCNCCC=CC(=O)OCC 9cfa1e2cb2a6dd48c725806d070b04e3 [0,1,0,0,0,0|1,0,2]=4 567 B12R0.1 CCCNCCCCC(=O)OCC af859276231b6944d66e75bb032a0322 [0,1,0,0,0,0|1,0,2]=4 568 B12R0.1 CCCOCC/C=C/C(=O)OCC 2303bf326aa3f733f62fc47186ae09c4 [0,1,0,0,0,0|1,0,2]=4 569 B12R0.1 CCCOCCC=CC(=O)OCC ee774255ff7f32f7caf1532cbc9ee9ea [0,1,0,0,0,0|1,0,2]=4 570 B12R0.1 CCCOCCCCC(=O)OCC 51d78253f7b52ee9e7147bf25348aaba [0,1,0,0,0,0|1,0,2]=4 571 B12R0.1 CCCOCCCNC(=O)COC cb2a1424fb6e69d125e95d1bd75229df [0,1,0,0,0,0|2,0,1]=4 572 B12R0.1 CCCOCCNCC(=O)COC 9b464853d5b9bc1c552f074c1ae22247 [0,1,0,0,0,0|2,0,1]=4 573 B12R0.1 CCCOCCNCC(=O)OCC 239aff86a3253f4e92984b6924e8935e [0,1,0,0,0,0|2,0,1]=4 574 B12R0.1 CCCOCCOCC(=O)COC 8aa1a8445662292885a5e7701f1c8aaa [0,1,0,0,0,0|2,0,1]=4 575 B12R0.1 CCCOCCOCC(=O)OCC e956761b010e3123844814131e112ba1 [0,1,0,0,0,0|2,0,1]=4 576 B12R0.1 CCCSCCOCC(=O)COC 7c182db9c19d397159abdbf53a9a3da7 [0,1,0,0,0,0|2,0,1]=4 577 B12R0.1 CCCSCCOCC(=O)OCC 7dc809704e5077e6bd03885f18e6a5e7 [0,1,0,0,0,0|2,0,1]=4 578 B12R0.1 CCNCCCCCC(=O)OCC 3082b4e9c515f8b8be859ad9fb770d19 [0,1,0,0,0,0|1,0,2]=4 579 B12R0.1 CCOC(=O)C#CCOCCC#N 630c9b7d6b7923b6be6e6246f002962f [0,1,0,0,0,0|2,0,1]=4 580 B12R0.1 CCOC(=O)C#CCOCCC=O 27c0a6be7f42144bf24e55eabbfb1bbb [0,1,0,0,0,0|2,0,1]=4 581 B12R0.1 CCOC(=O)C#CCOCCCF ab8e5ea4e8b4520a4298d9f022c979df [0,1,0,0,0,0|2,0,0]=3 582 B12R0.1 CCOC(=O)C#CCOCCCS a9b3d74f172350a029fb1c1615c05f51 [0,1,0,0,0,0|2,0,0]=3 583 B12R0.1 CCOC(=O)C#CCOCCOC 0b8d7e0e59ee10fe140a33c17120e5ce [0,1,0,0,0,0|2,0,0]=3 584 B12R0.1 CCOC(=O)C#CCOCCSC 4a225146b4f6e019385efc16401e98a4 [0,1,0,0,0,0|2,0,0]=3 585 B12R0.1 CCOC(=O)CNCCCCCCl 58e161da4ecc780d2991740be8c089d5 [0,1,0,0,0,0|2,0,1]=4 586 B12R0.1 CCOC(=O)CNCCCCCF d29011e4a1e166877af4f961a4f2490a [0,1,0,0,0,0|2,0,1]=4 587 B12R0.1 CCOC(=O)CNCCCCCO 9aa3e90fe522eccc11acb2dcce0f12a4 [0,1,0,0,0,0|2,0,1]=4 588 B12R0.1 CCOC(=O)CNCCCCOC 20b52f33ea51a932ab9c35f8dddd54bc [0,1,0,0,0,0|2,0,1]=4 589 B12R0.1 CCOC(=O)CNCCCCSC 3aa87d0193ec4066a857561ba6181c9f [0,1,0,0,0,0|2,0,1]=4 590 B12R0.1 CCOC(=O)CNCCCSCC c696b86d2cc68efa4569836d55494198 [0,1,0,0,0,0|2,0,1]=4 591 B12R0.1 CCOC(=O)COCCCCCF 50c7fa072831b49b3af2edaf08d4c8a4 [0,1,0,0,0,0|2,0,1]=4 592 B12R0.1 CCOC(=O)COCCCCOC 4ccc51ace4bb9ca789adb9a045234d9f [0,1,0,0,0,0|2,0,1]=4 593 B12R0.1 CCOC(=O)COCCCCSC 2e64cc00939356121bac05eacf564071 [0,1,0,0,0,0|2,0,1]=4 594 B12R0.1 CCOC(=O)COCCCSCC b54712bbae2dd3901cfa3d61585de9c0 [0,1,0,0,0,0|2,0,1]=4 595 B12R0.1 CCOCCCCCC(=O)OCC 776de740a04afd55ce4174c29edf7765 [0,1,0,0,0,0|1,0,2]=4 596 B12R0.1 CCOCCCNCC(=O)COC 860662edf4a972d3b31d01156b7bc332 [0,1,0,0,0,0|2,0,1]=4 597 B12R0.1 CCOCCCNCC(=O)OCC c1cce805d15c27205b56cf9d1768e34b [0,1,0,0,0,0|2,0,1]=4 598 B12R0.1 CCOCCCOCC(=O)COC 47bc5ccd3420fa54e86f9cd5fd1e695c [0,1,0,0,0,0|2,0,1]=4 599 B12R0.1 CCOCCCOCC(=O)OCC 5076ceeeee32075b701b383adc26b88e [0,1,0,0,0,0|2,0,1]=4 600 B12R0.1 CCOCOCC#CC(=O)OCC 08fdf332600557d2c35e9fb6c34a56c2 [0,1,0,0,0,0|2,0,0]=3 601 B12R0.1 CCSCCCCNC(=O)COC 8121783f22c698c44d9e8b2b20561f0b [0,1,0,0,0,0|2,0,1]=4 602 B12R0.1 CCSCCCOCC(=O)COC 4f37cacebc21a84fe13b7ef6a88f0a6c [0,1,0,0,0,0|2,0,1]=4 603 B12R0.1 COCC(=O)CNCCCCCCl fccdb41c7c069a66732258d99883415c [0,1,0,0,0,0|2,0,1]=4 604 B12R0.1 COCC(=O)CNCCCCCO 9120529d0967c2dc131e6bc009c4e41f [0,1,0,0,0,0|2,0,1]=4 605 B12R0.1 COCC(=O)CNCCCCSC d6d379e370d7b519d568d3eff3f0e2b1 [0,1,0,0,0,0|2,0,1]=4 606 B12R0.1 COCC(=O)COCCCCSC 42c4aaea28a73b373af3e289007550ea [0,1,0,0,0,0|2,0,1]=4 607 B12R0.1 COCC(=O)NCCCCCCCl f56305a7cce204e84369b7b636615ad0 [0,1,0,0,0,0|2,0,1]=4 608 B12R0.1 COCC(=O)NCCCCCCO 47eb2d30db7a99156764f24b8c47b808 [0,1,0,0,0,0|2,0,1]=4 609 B12R0.1 COCCCCCNC(=O)COC 3f3af212cf0957902c0363b5e2edb388 [0,1,0,0,0,0|2,0,1]=4 610 B12R0.1 COCCCCNCC(=O)COC db4a8c3b5e567158737d640c0c4bc172 [0,1,0,0,0,0|2,0,1]=4 611 B12R0.1 COCCCCOCC(=O)COC 863c08947f65c4bdba2b82e33412ad6c [0,1,0,0,0,0|2,0,1]=4 612 B12R0.49 C=C(CNCCCCC)C(=O)OC d8cfd6f27bf99dfb2439c91972cfa2f0 [0,1,0,0,0,0|1,0,2]=4 613 B12R0.49 C=C(COCCCCC)C(=O)OC abf4f87f748eb21088b2647d06f6e055 [0,1,0,0,0,0|1,0,2]=4 614 B12R0.49 CCCCCCCN(C)C(=O)CC c0dc9cd4191dd947c0579f8d55e9df30 [0,1,0,0,0,0|2,0,1]=4 615 B12R0.49 CCCCCCNC(=O)C(=O)CC 7264216756797e0820cbad46eb24a1ae [0,1,0,0,0,0|2,0,1]=4 616 B12R0.49 CCCCCCNC(=O)C(=O)NC 019e6e4c3e343df93665f7cb503c6e96 [0,1,0,0,0,0|2,0,1]=4 617 B12R0.49 CCCCCCNC(=O)C(=O)OC 58458ff126e2f04017c72d7375f209c5 [0,1,0,0,0,0|1,0,1]=3 618 B12R0.49 CCCCCCNC(C)C(=O)CC d59b975fa49b506c91fbb6e793da6866 [0,1,0,0,0,0|2,0,1]=4 619 B12R0.49 CCCCCCNC(C)C(=O)NC a0b2dc4ff88911b1a1d951183fd7549d [0,1,0,0,0,0|2,0,1]=4 620 B12R0.49 CCCCCCNC(C)C(=O)OC 935f824207428f5a0a8dc2bd1425ce38 [0,1,0,0,0,0|1,0,1]=3 621 B12R0.49 CCCCCCN[C@@H](C)C(=O)OC fc2689db2acb716c0a9d71e3bdff1771 [0,1,0,0,0,0|1,0,1]=3 622 B12R0.49 CCCCCCN[C@H](C)C(=O)OC 5964ebc99d324f56792d26e4fd279215 [0,1,0,0,0,0|1,0,1]=3 623 B12R0.49 CCCCCCOC(C)C(=O)CC 77eb954fa0eab347b81b442736d1a06d [0,1,0,0,0,0|2,0,1]=4 624 B12R0.49 CCCCCCOC(C)C(=O)NC 85e5b84cb5780f078a05551590d60f36 [0,1,0,0,0,0|2,0,1]=4 625 B12R0.49 CCCCCCOC(C)C(=O)OC 72bda27c3e7ade62a915488d63ad3370 [0,1,0,0,0,0|1,0,1]=3 626 B12R0.49 CCCCCCO[C@@H](C)C(=O)OC 1ecb63b81748e89ad70eaafc5b3ef822 [0,1,0,0,0,0|1,0,1]=3 627 B12R0.49 CCCCCCO[C@H](C)C(=O)OC 93da100d735fa67e5c5b808a6dc67eef [0,1,0,0,0,0|1,0,1]=3 628 B12R0.49 CCCCCNCC(=O)C(=O)OC 43ccf197bfca57ec06c7113862315c47 [0,1,0,0,0,0|1,0,2]=4 629 B12R0.49 CCCCCNCC(C)C(=O)OC d2e27d65559acfbe01b531c2393508bf [0,1,0,0,0,0|1,0,2]=4 630 B12R0.49 CCCCCNCC(O)C(=O)OC 77ce417a53b96b018df25e8f0f9601d7 [0,1,0,0,0,0|1,0,2]=4 631 B12R0.49 CCCCCNC[C@@H](C)C(=O)OC 3eff1aaa71a48a5b2ed02b1858f674b0 [0,1,0,0,0,0|1,0,2]=4 632 B12R0.49 CCCCCNC[C@H](C)C(=O)OC c0e4ff6ed2940b3e90547595a5f7442e [0,1,0,0,0,0|1,0,2]=4 633 B12R0.49 CCCCCOC=C(F)C(=O)OC 7314078fc63c864148b79098e157e3dd [0,1,0,0,0,0|1,0,2]=4 634 B12R0.49 CCCCCOCC(=O)C(=O)OC 46b36beda31fc1591fb81caf391d7d08 [0,1,0,0,0,0|1,0,2]=4 635 B12R0.49 CCCCCOCC(C)C(=O)OC 22f278e96a28e8e47c519d192f960c7c [0,1,0,0,0,0|1,0,2]=4 636 B12R0.49 CCCCCOCC(F)C(=O)OC a7534166087c980ffe4ae88ab10904f9 [0,1,0,0,0,0|1,0,2]=4 637 B12R0.49 CCCCCOC[C@@H](C)C(=O)OC 75a87e9f5549461824d47f0775cfdfbf [0,1,0,0,0,0|1,0,2]=4 638 B12R0.49 CCCCCOC[C@H](C)C(=O)OC 2763b1855818bf44166b57fa0e3d6680 [0,1,0,0,0,0|1,0,2]=4 639 B12R0.49 CCCCNCCC(C)C(=O)OC ca7d9173072dac734bfc9b19d5b570a4 [0,1,0,0,0,0|1,0,2]=4 640 B12R0.49 CCCCOCCC(C)C(=O)OC 179edb09d1bf706674a70c2a5ddb7fcc [0,1,0,0,0,0|1,0,2]=4 641 B12R0.49 CCCCOCOC(C)C(=O)OC 359155ea515e4e695e14eaee7c33e2a2 [0,1,0,0,0,0|2,0,1]=4 642 B12R0.49 CCCCOCO[C@@H](C)C(=O)OC 19f6e9a21cb387582147213f46ba3b6d [0,1,0,0,0,0|2,0,1]=4 643 B12R0.49 CCCCOCO[C@H](C)C(=O)OC c7dd70965ba5d171a68762351dfab5d1 [0,1,0,0,0,0|2,0,1]=4 644 B12R0.49 CCCNCCCC(=O)C(=O)OC 42510c10b8f1be88c7320a56eebe5182 [0,1,0,0,0,0|1,0,2]=4 645 B12R0.49 CCCNCCCC(C)C(=O)OC 1556d48db015df333bf23ecabbd2baeb [0,1,0,0,0,0|1,0,2]=4 646 B12R0.49 CCCOCCCC(=O)C(=O)OC cadc75b0dd12cdf19ab65047f12a447c [0,1,0,0,0,0|1,0,2]=4 647 B12R0.49 CCCOCCCC(C)C(=O)OC 3e8160301e35e413960fb394d5c39c6d [0,1,0,0,0,0|1,0,2]=4 648 B12R0.49 CCCOCCNC(=O)C(=O)OC a4c8212fda7b59d5ec0ae4fedbb2f0de [0,1,0,0,0,0|2,0,1]=4 649 B12R0.49 CCCOCCNC(C)C(=O)OC c24f9807550e2a9e6c4e295e7112cd85 [0,1,0,0,0,0|2,0,1]=4 650 B12R0.49 CCCOCCN[C@@H](C)C(=O)OC 77756bac7cfcaeb762520e26b4e46229 [0,1,0,0,0,0|2,0,1]=4 651 B12R0.49 CCCOCCN[C@H](C)C(=O)OC 7d262b973cb4ddf74cdc42c2a5410994 [0,1,0,0,0,0|2,0,1]=4 652 B12R0.49 CCCOCCOC(C)C(=O)OC e55159a19f6ef50500444c4211667e5c [0,1,0,0,0,0|2,0,1]=4 653 B12R0.49 CCCOCCO[C@@H](C)C(=O)OC 201540066d28eb4bb68721c5ad5b02cb [0,1,0,0,0,0|2,0,1]=4 654 B12R0.49 CCCOCCO[C@H](C)C(=O)OC fe383e2a8bd485352d9360bde7a1f42d [0,1,0,0,0,0|2,0,1]=4 655 B12R0.49 CCOCCCNC(=O)C(=O)OC 871ef4f7609ed607338e20eeea79ad36 [0,1,0,0,0,0|2,0,1]=4 656 B12R0.49 CCOCCCNC(C)C(=O)OC d32b930c3e7f1411af8139d04034df6d [0,1,0,0,0,0|2,0,1]=4 657 B12R0.49 CCOCCCN[C@@H](C)C(=O)OC 62c3ce0680237df16dd6007bd8f61ce0 [0,1,0,0,0,0|2,0,1]=4 658 B12R0.49 CCOCCCN[C@H](C)C(=O)OC c37699d0b0429217c70016eb3e0b33e6 [0,1,0,0,0,0|2,0,1]=4 659 B12R0.49 CCOCCCOC(C)C(=O)OC e0bfc4266e6a4f9e152f436e3cf95c9a [0,1,0,0,0,0|2,0,1]=4 660 B12R0.49 CCOCCCO[C@@H](C)C(=O)OC 670cd5bc3638e98c88d5d4c3d7f64a95 [0,1,0,0,0,0|2,0,1]=4 661 B12R0.49 CCOCCCO[C@H](C)C(=O)OC ad62c1b67067264c1cc318bc28685454 [0,1,0,0,0,0|2,0,1]=4 662 B12R0.49 CCSCCCOC(C)C(=O)OC e5c61ae0490f4ed0f71e80ad170ee787 [0,1,0,0,0,0|2,0,1]=4 663 B12R0.49 CCSCCCO[C@@H](C)C(=O)OC bb708efdd66f7715a1d70ce495961916 [0,1,0,0,0,0|2,0,1]=4 664 B12R0.49 CCSCCCO[C@H](C)C(=O)OC 4cd25e739dfa6efcd48392a0a77e7545 [0,1,0,0,0,0|2,0,1]=4 665 B12R0.49 COC(=O)C(=O)NCCCCCCl 55fff2544b5a6c22aa17e681cff67a58 [0,1,0,0,0,0|2,0,1]=4 666 B12R0.49 COC(=O)C(=O)NCCCCCO 0b54fd2d9497003bec4a9a9477fc3b59 [0,1,0,0,0,0|2,0,1]=4 667 B12R0.49 COC(=O)C(=O)NCCCCSC e8f25c41accebd00b282502db50cb938 [0,1,0,0,0,0|2,0,1]=4 668 B12R0.49 COC(=O)C(C)NCCCCCCl a3e3067a23572cccf48c7aab992d5e95 [0,1,0,0,0,0|2,0,1]=4 669 B12R0.49 COC(=O)C(C)NCCCCCO bc12ba453ea89a479af4a8f2c51d281e [0,1,0,0,0,0|2,0,1]=4 670 B12R0.49 COC(=O)C(C)NCCCCSC 43fc3ce2c1fbf241672dd84892ba5833 [0,1,0,0,0,0|2,0,1]=4 671 B12R0.49 COC(=O)C(C)OCCCCCF 0e0806bc8d6470d2d8f2adfa537c7447 [0,1,0,0,0,0|2,0,1]=4 672 B12R0.49 COC(=O)C(C)OCCCCSC f22074b06667991043a7b02b93a0f711 [0,1,0,0,0,0|2,0,1]=4 673 B12R0.49 COC(=O)[C@@H](C)NCCCCCCl c608aac052cf4b32aea3367a2d2cbd1b [0,1,0,0,0,0|2,0,1]=4 674 B12R0.49 COC(=O)[C@@H](C)NCCCCCO c1d2ada57546958c45d7ac70b14f998f [0,1,0,0,0,0|2,0,1]=4 675 B12R0.49 COC(=O)[C@@H](C)NCCCCSC 1bed21bb0c0051db34a3a7cacc820ada [0,1,0,0,0,0|2,0,1]=4 676 B12R0.49 COC(=O)[C@@H](C)OCCCCCF 81b456185ded6429ebdc44ec5b6e6e9f [0,1,0,0,0,0|2,0,1]=4 677 B12R0.49 COC(=O)[C@@H](C)OCCCCSC be98fa34f9a10b21aeb7ae8aa3962218 [0,1,0,0,0,0|2,0,1]=4 678 B12R0.49 COC(=O)[C@H](C)NCCCCCCl 6d3747bc8b4daa1f6f99ee841f43628f [0,1,0,0,0,0|2,0,1]=4 679 B12R0.49 COC(=O)[C@H](C)NCCCCCO 9f09515794bb24bb20bf6392b34a5d66 [0,1,0,0,0,0|2,0,1]=4 680 B12R0.49 COC(=O)[C@H](C)NCCCCSC 4551b83670c858a529169294a5e3bda8 [0,1,0,0,0,0|2,0,1]=4 681 B12R0.49 COC(=O)[C@H](C)OCCCCCF 163e8c7e8ba5a23e3dcb488e03899a01 [0,1,0,0,0,0|2,0,1]=4 682 B12R0.49 COC(=O)[C@H](C)OCCCCSC 13e6780bb720f55d7bea5ff19b9730f0 [0,1,0,0,0,0|2,0,1]=4 683 B12R0.49 COCCCCNC(=O)C(=O)OC e4cc6d988789cbe9be6debe9a920448c [0,1,0,0,0,0|2,0,1]=4 684 B12R0.49 COCCCCNC(C)C(=O)OC c6c131c8f296770cc6e424a60c6a0d57 [0,1,0,0,0,0|2,0,1]=4 685 B12R0.49 COCCCCN[C@@H](C)C(=O)OC 7c084874b758ae57ca7996db353a6f48 [0,1,0,0,0,0|2,0,1]=4 686 B12R0.49 COCCCCN[C@H](C)C(=O)OC bb9650b744272ee08b70dff821ccb95b [0,1,0,0,0,0|2,0,1]=4 687 B12R0.49 COCCCCOC(C)C(=O)OC 6d543fbb0dfc0a5df805059472269090 [0,1,0,0,0,0|2,0,1]=4 688 B12R0.49 COCCCCO[C@@H](C)C(=O)OC 2b486d2390f10b7957412a45e189d48b [0,1,0,0,0,0|2,0,1]=4 689 B12R0.49 COCCCCO[C@H](C)C(=O)OC cd5814393d96784a85fb02171a0af1e5 [0,1,0,0,0,0|2,0,1]=4 690 B12R0.102 C#CCCN(C)CC#CC(=O)OC b68a4d509c50188f4f4e5c7dfa7a7298 [0,1,0,0,0,0|1,0,2]=4 691 B12R0.102 C=C(CNCC(O)CCCC)OC 0c583368a2722ca7e329da67c5c4b592 [0,1,0,0,0,0|2,0,1]=4 692 B12R0.102 C=C(COCC(C)CCCC)OC 4b7a868034b83bae934f3905f80af6d5 [0,1,0,0,0,0|2,0,1]=4 693 B12R0.102 C=CCCN(C)CC#CC(=O)OC 2ca62210aca64aa74d56a067149584c8 [0,1,0,0,0,0|1,0,2]=4 694 B12R0.102 CCCCC(C)COCC(=O)CC 31d8617ef75272c2e5a0d4bed09d9a99 [0,1,0,0,0,0|2,0,1]=4 695 B12R0.102 CCCCC(C)COCC(=O)NC e562acab82555c6acc01a1f0a04ab504 [0,1,0,0,0,0|2,0,1]=4 696 B12R0.102 CCCCC(C)COCC(=O)OC 2121eed6a9e61020a350aef014ab90f2 [0,1,0,0,0,0|1,0,1]=3 697 B12R0.102 CCCCC(C)NCCC(=O)OC 3f2036ce60e56086f09357d876e175b2 [0,1,0,0,0,0|1,0,2]=4 698 B12R0.102 CCCCC(C)OCCC(=O)OC b5274cb7add5d513a6c7002a6a8022da [0,1,0,0,0,0|1,0,2]=4 699 B12R0.102 CCCCC(O)CNCC(=O)CC e8f7ed3fb4421be9fc1a3845a750d5fc [0,1,0,0,0,0|2,0,1]=4 700 B12R0.102 CCCCC(O)CNCC(=O)NC cc3cd76fb24d5d60b7df2590486898ff [0,1,0,0,0,0|2,0,1]=4 701 B12R0.102 CCCCC(O)CNCC(=O)OC a0f27da51064fa0d6c11d1c91bcfa7a7 [0,1,0,0,0,0|1,0,1]=3 702 B12R0.102 CCCCN(C)C/C=C/C(=O)OC 13887853ed572b83d0ce3660c9c0e193 [0,1,0,0,0,0|1,0,2]=4 703 B12R0.102 CCCCN(C)C/C=C\C(=O)OC 009767a8b2c72ffcae4f6a6ea2c20074 [0,1,0,0,0,0|1,0,2]=4 704 B12R0.102 CCCCN(C)CC#CC(=O)OC 24fe95dcec2ee4de6bc1aacaf9ca530c [0,1,0,0,0,0|1,0,0]=2 705 B12R0.102 CCCCN(C)CC=CC(=O)OC 737167af22750abed6e1a31bd8677f63 [0,1,0,0,0,0|1,0,2]=4 706 B12R0.102 CCCCN(C)CCCC(=O)OC d0aafc1d60b0e19908b5e62ff46c60bc [0,1,0,0,0,0|1,0,2]=4 707 B12R0.102 CCCC[C@@H](C)NCCC(=O)OC af697e2f120bda6a5c8cafaab6159ccf [0,1,0,0,0,0|1,0,2]=4 708 B12R0.102 CCCC[C@@H](C)OCCC(=O)OC c4f7ca74bbffe635dcb793df27580662 [0,1,0,0,0,0|1,0,2]=4 709 B12R0.102 CCCC[C@H](C)OCCC(=O)OC 3932d84afb402973d80edf75c1687abc [0,1,0,0,0,0|1,0,2]=4 710 B12R0.102 CCCNC(C)CCCC(=O)OC f716e6748fb0bad3622d19d9cce70848 [0,1,0,0,0,0|1,0,2]=4 711 B12R0.102 CCCOC(C)CCCC(=O)OC f03321ff3a5e4a38f954a08fc10afcac [0,1,0,0,0,0|1,0,2]=4 712 B12R0.102 CCOCC(C)COCC(=O)OC cee66df68f3ebb82c2d87e5bcf4a28ca [0,1,0,0,0,0|2,0,1]=4 713 B12R0.102 CCOCC(O)CNCC(=O)OC 7911cb89ac366b66d0cf6346571deeaa [0,1,0,0,0,0|2,0,1]=4 714 B12R0.102 COC(=O)C#CCN(C)CCC#N 4a7588098d434f4c6ff81eff374c748c [0,1,0,0,0,0|2,0,1]=4 715 B12R0.102 COC(=O)C#CCN(C)CCCO 22c10f3804ebbfe63cd0a3b2c4d8f09c [0,1,0,0,0,0|2,0,0]=3 716 B12R0.102 COC(=O)C#CCN(C)CCON 604721079953d30e0f8546a3dd2e3f9e [0,1,0,0,0,0|3,0,0]=4 717 B12R0.102 COC(=O)C#CCN(C)CCSC 679b14407de6165ad935e3ef4f918743 [0,1,0,0,0,0|2,0,0]=3 718 B12R0.102 COC(=O)CNC[C@H](C)CCCO 8d3dd2fbc39b03441e47b5d81fa9e788 [0,1,0,0,0,0|2,0,1]=4 719 B12R0.113 C=C(CN(C)CCCCCC)OC 8334aa4962b8a30f357199599700f940 [0,1,0,0,0,0|2,0,1]=4 720 B12R0.113 C=C(CNCCCC)CC(=O)OC 7e4bd3122b0bb99ee91c771c5a73eabb [0,1,0,0,0,0|1,0,2]=4 721 B12R0.113 C=C(COCCCC)CC(=O)OC c9a2df079508573051409f795b15bef4 [0,1,0,0,0,0|1,0,2]=4 722 B12R0.113 CCCCCCC(C)NC(=O)CC 7a9035c65767e5ae37e7e9206ed97104 [0,1,0,0,0,0|2,0,1]=4 723 B12R0.113 CCCCCCN(C)CC(=O)CC cc04db726591a5d4c86037f6a801408b [0,1,0,0,0,0|2,0,1]=4 724 B12R0.113 CCCCCCN(C)CC(=O)NC 4ea5211085e12623d16af7c6d0da55cb [0,1,0,0,0,0|2,0,1]=4 725 B12R0.113 CCCCCCN(C)CC(=O)OC 0757db9ff0f0880e4b48984b9b2660c6 [0,1,0,0,0,0|1,0,1]=3 726 B12R0.113 CCCCCC[C@@H](C)NC(=O)CC d9d8e9dc8d62f30d87e5300c1c7c8b84 [0,1,0,0,0,0|2,0,1]=4 727 B12R0.113 CCCCCC[C@H](C)NC(=O)CC 3f076e7a8a8156473b72acf89d536884 [0,1,0,0,0,0|2,0,1]=4 728 B12R0.113 CCCCCNC(=O)CC(=O)OC 01fd35c90ba691485a0d33a929fdadf3 [0,1,0,0,0,0|1,0,2]=4 729 B12R0.113 CCCCCNC(C)CC(=O)OC c44a01c3c38c577e6267926876a64226 [0,1,0,0,0,0|1,0,2]=4 730 B12R0.113 CCCCCNC(C)OC(=O)OC b3345ee4b60dc3611421e1fd73bdfe07 [0,1,0,0,0,0|2,0,1]=4 731 B12R0.113 CCCCCN[C@@H](C)CC(=O)OC 989d9cecc30f81657f98845db77f934d [0,1,0,0,0,0|1,0,2]=4 732 B12R0.113 CCCCCN[C@H](C)CC(=O)OC 5a8118ecb9534ac49586ce02451945bb [0,1,0,0,0,0|1,0,2]=4 733 B12R0.113 CCCCCOC(C)CC(=O)OC 87b3f72c061b9231938c26f2e341fa2f [0,1,0,0,0,0|1,0,2]=4 734 B12R0.113 CCCCCO[C@@H](C)CC(=O)OC a1e3a7bd068b8c31a7c8f7d58c300938 [0,1,0,0,0,0|1,0,2]=4 735 B12R0.113 CCCCCO[C@H](C)CC(=O)OC 529fd49700acc10b6710b3e38995b97b [0,1,0,0,0,0|1,0,2]=4 736 B12R0.113 CCCCNCC(=O)CC(=O)OC 667dde8b502ccc40b89c2f4369bc0c5d [0,1,0,0,0,0|1,0,2]=4 737 B12R0.113 CCCCNCC(C)CC(=O)OC 0019ae5fed0a029cbc95b96d9c3521a8 [0,1,0,0,0,0|1,0,2]=4 738 B12R0.113 CCCCNCC(O)CC(=O)OC b421b5ae0f7ecead9915e1c49aa518cb [0,1,0,0,0,0|1,0,2]=4 739 B12R0.113 CCCCNC[C@@H](O)CC(=O)OC acc2780e322be9b552da629aca1e3f15 [0,1,0,0,0,0|1,0,2]=4 740 B12R0.113 CCCCNC[C@H](O)CC(=O)OC d93ad54e186bc81a88cd4bd49829d4b3 [0,1,0,0,0,0|1,0,2]=4 741 B12R0.113 CCCCOCC(=O)CC(=O)OC d98ba9e9abc7783e3d2dd294648a2a83 [0,1,0,0,0,0|1,0,2]=4 742 B12R0.113 CCCCOCC(C)CC(=O)OC 68ba0b25ca5922c03c741772ee11f389 [0,1,0,0,0,0|1,0,2]=4 743 B12R0.113 CCCCOCN(C)CC(=O)OC 2baf938ee41697d48a9927a9efe31723 [0,1,0,0,0,0|2,0,1]=4 744 B12R0.113 CCCNCC[C@@H](C)CC(=O)OC abbd1b08f56324c9f5757feb93b8a9e3 [0,1,0,0,0,0|1,0,2]=4 745 B12R0.113 CCCOCCC(=O)CC(=O)OC 8318f515144e4c32eaeaf225e10c3542 [0,1,0,0,0,0|1,0,2]=4 746 B12R0.113 CCCOCCN(C)CC(=O)OC aff2a09ea55bf5cc2cc832ab853d673b [0,1,0,0,0,0|2,0,1]=4 747 B12R0.113 CCCOCC[C@@H](C)CC(=O)OC 40c6c2bb3e3fee4f7a962576865d250a [0,1,0,0,0,0|1,0,2]=4 748 B12R0.113 CCOCCCN(C)CC(=O)OC 627840cd892d3fa6fb04a15f1c329b1d [0,1,0,0,0,0|2,0,1]=4 749 B12R0.113 CCSCCCN(C)CC(=O)OC 75c84c541e78d77bb0a43334f782c33e [0,1,0,0,0,0|2,0,1]=4 750 B12R0.113 COC(=O)CN(C)CCCCCF 2757ccd22982114c0d20eeb10ef8ba48 [0,1,0,0,0,0|2,0,1]=4 751 B12R0.113 COC(=O)CN(C)CCCCCO 0854671875dacc3ce6f1699b74d08997 [0,1,0,0,0,0|2,0,1]=4 752 B12R0.113 COCCCCN(C)CC(=O)OC 93542617d516771c78e9fd3993f4fbba [0,1,0,0,0,0|2,0,1]=4 753 B12R0.142 C=C(CNC(C)CCCCC)OC 7854e9234c369cacb9d2e297b0d550e5 [0,1,0,0,0,0|2,0,1]=4 754 B12R0.142 C=C(CN[C@@H](C)CCCCC)OC 89e65fabfbb7431e89e36c9f4e461d57 [0,1,0,0,0,0|2,0,1]=4 755 B12R0.142 C=C(COC(C)CCCCC)OC c1d0dddcc0a49804d3946602d936773d [0,1,0,0,0,0|2,0,1]=4 756 B12R0.142 C=C(CO[C@@H](C)CCCCC)OC 5bde2f4db2d6e77d070a06c314aa1421 [0,1,0,0,0,0|2,0,1]=4 757 B12R0.142 C=C(CO[C@H](C)CCCCC)OC ae16250bb31869429b1850384cdab5aa [0,1,0,0,0,0|2,0,1]=4 758 B12R0.142 CCCCCC(=O)NCC(=O)OC 7b1aeefd0c2c73fc93cc5c282a4a5d83 [0,1,0,0,0,0|1,0,2]=4 759 B12R0.142 CCCCCC(C)NCC(=O)CC 17dc4b9ec37e69b31e7113874c1aed03 [0,1,0,0,0,0|2,0,1]=4 760 B12R0.142 CCCCCC(C)NCC(=O)NC 029532ad216c8a4a96f03d9be8e064c7 [0,1,0,0,0,0|2,0,1]=4 761 B12R0.142 CCCCCC(C)NCC(=O)OC 873d358e235ec9267d3436dbd1c6fb03 [0,1,0,0,0,0|1,0,1]=3 762 B12R0.142 CCCCCC(C)OCC(=O)CC 1c30785791afb4721027d7aa4535e579 [0,1,0,0,0,0|2,0,1]=4 763 B12R0.142 CCCCCC(C)OCC(=O)NC f5cf550147b15669693a70eb28cdd9bf [0,1,0,0,0,0|2,0,1]=4 764 B12R0.142 CCCCCC(C)OCC(=O)OC 2070ab83583f760dab7d994e5c49f6fd [0,1,0,0,0,0|1,0,1]=3 765 B12R0.142 CCCCCN(C)CCC(=O)OC 8d64ca1b64716127a962e9492f69dceb [0,1,0,0,0,0|1,0,2]=4 766 B12R0.142 CCCCCN(C)COC(=O)OC eb18a5a9d32273f2c9da21a544eb260d [0,1,0,0,0,0|2,0,1]=4 767 B12R0.142 CCCCC[C@@H](C)OCC(=O)CC a84236230bdc968089833c76504ec058 [0,1,0,0,0,0|2,0,1]=4 768 B12R0.142 CCCCC[C@@H](C)OCC(=O)NC 69b25edf5cf71d54a436b7399238a621 [0,1,0,0,0,0|2,0,1]=4 769 B12R0.142 CCCCC[C@@H](C)OCC(=O)OC 24b15b077650088246280c5624d20552 [0,1,0,0,0,0|1,0,1]=3 770 B12R0.142 CCCCC[C@H](C)NCC(=O)CC ab7ae5bb1b1f8267fb65e5e8ba7db71b [0,1,0,0,0,0|2,0,1]=4 771 B12R0.142 CCCCC[C@H](C)NCC(=O)NC 058699fd62dddd0225d41daea99af550 [0,1,0,0,0,0|2,0,1]=4 772 B12R0.142 CCCCC[C@H](C)NCC(=O)OC 2ada72d5a486b99e1f270bbbe2c1d3f6 [0,1,0,0,0,0|1,0,1]=3 773 B12R0.142 CCCCC[C@H](C)OCC(=O)CC 535ebec0591b84fab7d612a812393cc2 [0,1,0,0,0,0|2,0,1]=4 774 B12R0.142 CCCCC[C@H](C)OCC(=O)NC d32bf2a7cf8278cc3b2d7cdad85a255b [0,1,0,0,0,0|2,0,1]=4 775 B12R0.142 CCCCC[C@H](C)OCC(=O)OC 211c1813388a6fa074bbc91fb09ea2c4 [0,1,0,0,0,0|1,0,1]=3 776 B12R0.142 CCCCNC(C)CCC(=O)OC faf1a0c084e958de4fca0fc55ff8ad45 [0,1,0,0,0,0|1,0,2]=4 777 B12R0.142 CCCCOC(C)CCC(=O)OC 1dbd7781bb0e17b6f93f15da3f9daea3 [0,1,0,0,0,0|1,0,2]=4 778 B12R0.142 CCCNCC(C)CCC(=O)OC 37687a5532bac593ab74a3076e6a3854 [0,1,0,0,0,0|1,0,2]=4 779 B12R0.142 CCCOCC(C)CCC(=O)OC bc078c298d3e393c6f095d571002d3a6 [0,1,0,0,0,0|1,0,2]=4 780 B12R0.142 CCCOCC(C)OCC(=O)OC 2a451b3b10750ab256840da3eb445a7a [0,1,0,0,0,0|2,0,1]=4 781 B12R0.183 C=C(CC)COCC#CC(=O)OC fd9e337b1f8b5df507d092b95b4ee31f [0,1,0,0,0,0|1,0,1]=3 782 B12R0.183 C=C(COCC#CC(=O)OC)OC 3cbc827530dd5fab77a50426d276c8bc [0,1,0,0,0,0|2,0,1]=4 783 B12R0.183 C=C(COCCCC(C)CC)OC cf875971f545c8a75b6b4a87023efc1c [0,1,0,0,0,0|2,0,1]=4 784 B12R0.183 C=C(COCCC[C@@H](C)CC)OC e66242b994ee99820c74c25a54f7ebf3 [0,1,0,0,0,0|2,0,1]=4 785 B12R0.183 C=CC(C)COCC#CC(=O)OC 574a51014d2259abe0bd27093c8aff87 [0,1,0,0,0,0|1,0,2]=4 786 B12R0.183 C=CC(O)CNCC#CC(=O)OC 46cac812b1325652b98d803afed0bf4b [0,1,0,0,0,0|1,0,2]=4 787 B12R0.183 CCC(=O)COCC#CC(=O)OC 2306b55b803178078478c26f53772d74 [0,1,0,0,0,0|1,0,1]=3 788 B12R0.183 CCC(=O)COCCCC(C)CC a5317ef2c42e3ae80de26ba9e33316b0 [0,1,0,0,0,0|2,0,1]=4 789 B12R0.183 CCC(=O)COCCC[C@@H](C)CC 3acf229143851d224686ab0eae09d287 [0,1,0,0,0,0|2,0,1]=4 790 B12R0.183 CCC(C)CCCOCC(=O)NC 707e36d7cae24ec471eeef1d35863941 [0,1,0,0,0,0|2,0,1]=4 791 B12R0.183 CCC(C)CCCOCC(=O)OC 74f80f01e8aaeef3dda8c05d1a6de077 [0,1,0,0,0,0|1,0,1]=3 792 B12R0.183 CCC(C)CCNCCC(=O)OC 7d3741f4d5894b35a884461e4eb6aad2 [0,1,0,0,0,0|1,0,2]=4 793 B12R0.183 CCC(C)CCNCOC(=O)OC f2da8aa1c071322024ff186e22852fcf [0,1,0,0,0,0|2,0,1]=4 794 B12R0.183 CCC(C)CCOCCC(=O)OC 89119379c4401c8bf3b64487ea6e4388 [0,1,0,0,0,0|1,0,2]=4 795 B12R0.183 CCC(C)CCOCOC(=O)OC b7a822f89dffbbe3ba944ad35c722ec4 [0,1,0,0,0,0|2,0,1]=4 796 B12R0.183 CCC(C)CNC/C=C/C(=O)OC 155001798c8c089545e73c0c5f9ff5da [0,1,0,0,0,0|1,0,2]=4 797 B12R0.183 CCC(C)CNC/C=C\C(=O)OC 3cbf290bbd6d9f6e184ee3d19402a447 [0,1,0,0,0,0|1,0,2]=4 798 B12R0.183 CCC(C)CNCC=CC(=O)OC eb5801501eccece268397885931f675d [0,1,0,0,0,0|1,0,2]=4 799 B12R0.183 CCC(C)CNCCCC(=O)OC 97d2188c1529568395553a71d8b2eec0 [0,1,0,0,0,0|1,0,2]=4 800 B12R0.183 CCC(C)COC/C=C/C(=O)OC 01b4d2f1c360138121a59e4813fbc409 [0,1,0,0,0,0|1,0,2]=4 801 B12R0.183 CCC(C)COC/C=C\C(=O)OC f7d23b2719d0332499f446599c4c2644 [0,1,0,0,0,0|1,0,2]=4 802 B12R0.183 CCC(C)COCC#CC(=O)OC 63bd0bc9ff4eed088916c13387df9c9c [0,1,0,0,0,0|1,0,0]=2 803 B12R0.183 CCC(C)COCC=CC(=O)OC 94b3caf85e5b94239b0af107652dca66 [0,1,0,0,0,0|1,0,2]=4 804 B12R0.183 CCC(C)COCCCC(=O)OC 59bbbf293aa327712c7ba139e6097b56 [0,1,0,0,0,0|1,0,2]=4 805 B12R0.183 CCC(C)COCCOC(=O)OC 3a269e97fffde59715e5757b1940a73e [0,1,0,0,0,0|2,0,1]=4 806 B12R0.183 CCC(C)NCCCCC(=O)OC bda6cb5196b26960c0f9b18f7077219d [0,1,0,0,0,0|1,0,2]=4 807 B12R0.183 CCC(C)NCCOCC(=O)OC 39c836fce025c03c0eb4524849256d50 [0,1,0,0,0,0|2,0,1]=4 808 B12R0.183 CCC(C)OCCCCC(=O)OC 3bdc1f969cc8560d9cda80804fbad9a2 [0,1,0,0,0,0|1,0,2]=4 809 B12R0.183 CCC(C)OCCOCC(=O)OC 042242f1ac4ae5c4ed7c1d3ce857d4ce [0,1,0,0,0,0|2,0,1]=4 810 B12R0.183 CCC(O)CNC/C=C/C(=O)OC 87dffd1be8635cba8b8d2b4e8dc01645 [0,1,0,0,0,0|1,0,2]=4 811 B12R0.183 CCC(O)CNC/C=C\C(=O)OC 9d5b464fc4cdb08b71e677a450374d2b [0,1,0,0,0,0|1,0,2]=4 812 B12R0.183 CCC(O)CNCC#CC(=O)OC e43ebf87ddce2a86b6fc7ee6a6b36bf9 [0,1,0,0,0,0|1,0,0]=2 813 B12R0.183 CCC(O)CNCC=CC(=O)OC 54ff7a78bcaab12160870920a606f50d [0,1,0,0,0,0|1,0,2]=4 814 B12R0.183 CCC(O)CNCCCC(=O)OC 856690bc11cbee16e1d53b82b4d76013 [0,1,0,0,0,0|1,0,2]=4 815 B12R0.183 CCC(S)CCOCCC(=O)OC 8dd5c0274c75896a1a8552c4dcbd818a [0,1,0,0,0,0|1,0,2]=4 816 B12R0.183 CCC(S)CCOCOC(=O)OC ab0ebdb1257a80d80103d4ba9458faf9 [0,1,0,0,0,0|2,0,1]=4 817 B12R0.183 CCN(C)CCCCCC(=O)OC 5ce749962703614bb269cfbaf51fa479 [0,1,0,0,0,0|1,0,2]=4 818 B12R0.183 CCN(C)CCCNCC(=O)OC 8cd2f1c525bc1c929ba0ed95e1245e07 [0,1,0,0,0,0|2,0,1]=4 819 B12R0.183 CCN(C)CCCOCC(=O)OC 409876da9eec789c2126ca1399263916 [0,1,0,0,0,0|2,0,1]=4 820 B12R0.183 CCN(C)CCCSCC(=O)OC 8026fd7022ce2d8ddfac9bbcc7509c11 [0,1,0,0,0,0|2,0,1]=4 821 B12R0.183 CC[C@@H](C)CNCCCC(=O)OC 3df5414b151657195d91aa9b33d81dfb [0,1,0,0,0,0|1,0,2]=4 822 B12R0.183 CC[C@@H](C)COC/C=C/C(=O)OC e72210d74aac745316f8a61457c58473 [0,1,0,0,0,0|1,0,2]=4 823 B12R0.183 CC[C@@H](C)COC/C=C\C(=O)OC bd99bdcb60064c4cf49aa88073901744 [0,1,0,0,0,0|1,0,2]=4 824 B12R0.183 CC[C@@H](C)COCC#CC(=O)OC 1b56a4eb431a64cbef1c9527f703e86a [0,1,0,0,0,0|1,0,0]=2 825 B12R0.183 CC[C@@H](C)COCC=CC(=O)OC 03e0148166241af7430c8cbee0d0d69b [0,1,0,0,0,0|1,0,2]=4 826 B12R0.183 CC[C@@H](C)COCCCC(=O)OC 6755ea558ce235dee3e65a12c69ccbb5 [0,1,0,0,0,0|1,0,2]=4 827 B12R0.183 CC[C@@H](C)COCCOC(=O)OC efecd6fdef7ce59b11cad6a2a95b7a86 [0,1,0,0,0,0|2,0,1]=4 828 B12R0.183 CC[C@@H](C)NCCCCC(=O)OC 81baffad83e4367968d23a8e10974512 [0,1,0,0,0,0|1,0,2]=4 829 B12R0.183 CC[C@@H](C)NCCOCC(=O)OC 25a6813b352c93c6a869a2552ccaa9c7 [0,1,0,0,0,0|2,0,1]=4 830 B12R0.183 CC[C@@H](C)OCCCCC(=O)OC be1a2426e7af2563524b45afc73b9f28 [0,1,0,0,0,0|1,0,2]=4 831 B12R0.183 CC[C@@H](C)OCCOCC(=O)OC a787715f5c367977d51373f5593a4c23 [0,1,0,0,0,0|2,0,1]=4 832 B12R0.183 CC[C@@H](O)CNC/C=C/C(=O)OC f12ba876a080685db02137d346a8df20 [0,1,0,0,0,0|1,0,2]=4 833 B12R0.183 CC[C@@H](O)CNC/C=C\C(=O)OC 6351cd1a0ea99c79dcbdb4ce0de698c1 [0,1,0,0,0,0|1,0,2]=4 834 B12R0.183 CC[C@@H](O)CNCC#CC(=O)OC 68846b8679ece45fea8448cbdaf927a2 [0,1,0,0,0,0|1,0,0]=2 835 B12R0.183 CC[C@@H](O)CNCC=CC(=O)OC e3769ce2b6238c134e7d4f3a5d7883d2 [0,1,0,0,0,0|1,0,2]=4 836 B12R0.183 CC[C@@H](O)CNCCCC(=O)OC 861e761cffb1191893dd71d3ba7145a2 [0,1,0,0,0,0|1,0,2]=4 837 B12R0.183 CC[C@H](C)CCCOCC(=O)NC d2a6805bed9a0b1888779055e082b837 [0,1,0,0,0,0|2,0,1]=4 838 B12R0.183 CC[C@H](C)CCCOCC(=O)OC d8623e8603a8de32cbf8434df610fe9b [0,1,0,0,0,0|1,0,1]=3 839 B12R0.183 CC[C@H](C)CCOCCC(=O)OC 8db142142b1e3b810a3a2d23f29533eb [0,1,0,0,0,0|1,0,2]=4 840 B12R0.183 CC[C@H](C)CCOCOC(=O)OC 04e82ac35316bb708a355584dacde65c [0,1,0,0,0,0|2,0,1]=4 841 B12R0.183 CC[C@H](C)CNC/C=C/C(=O)OC 586b9bb7d11eb3dd4bf9130156d6f803 [0,1,0,0,0,0|1,0,2]=4 842 B12R0.183 CC[C@H](C)CNC/C=C\C(=O)OC 64ae2209a12d2f2731ebf1ae6e76fc08 [0,1,0,0,0,0|1,0,2]=4 843 B12R0.183 CC[C@H](C)CNCC=CC(=O)OC 395f18fb4996f404503667eeebb255b9 [0,1,0,0,0,0|1,0,2]=4 844 B12R0.183 CC[C@H](C)CNCCCC(=O)OC 89ac3b166f064e23319517825c5a10f7 [0,1,0,0,0,0|1,0,2]=4 845 B12R0.183 CC[C@H](C)COC/C=C/C(=O)OC f19e35ca2ccb114546840e766fb347ba [0,1,0,0,0,0|1,0,2]=4 846 B12R0.183 CC[C@H](C)COC/C=C\C(=O)OC 9de1f1ac130b7387c000e8a8ca38ed9d [0,1,0,0,0,0|1,0,2]=4 847 B12R0.183 CC[C@H](C)COCC#CC(=O)OC 97890f045e943b89e2ab695ae260646f [0,1,0,0,0,0|1,0,0]=2 848 B12R0.183 CC[C@H](C)COCC=CC(=O)OC a2263896eeca3f38f80ad7bd8f3969c7 [0,1,0,0,0,0|1,0,2]=4 849 B12R0.183 CC[C@H](C)COCCCC(=O)OC 2f75351e96aa7a7088a97454af34efed [0,1,0,0,0,0|1,0,2]=4 850 B12R0.183 CC[C@H](C)COCCOC(=O)OC e7893dd9368047fc540f56210a64d3a6 [0,1,0,0,0,0|2,0,1]=4 851 B12R0.183 CC[C@H](C)NCCCCC(=O)OC 9dd6c10752ae256dc65ffac343929924 [0,1,0,0,0,0|1,0,2]=4 852 B12R0.183 CC[C@H](C)NCCOCC(=O)OC c2da3fec224396aad0943dbe2e387760 [0,1,0,0,0,0|2,0,1]=4 853 B12R0.183 CC[C@H](C)OCCCCC(=O)OC 60d17d04ff7327dec8b7a058eb9a74c3 [0,1,0,0,0,0|1,0,2]=4 854 B12R0.183 CC[C@H](C)OCCOCC(=O)OC b874578b3dc06289733157528f5eaa2e [0,1,0,0,0,0|2,0,1]=4 855 B12R0.183 CNC(=O)CNCC#CC(=O)OC 6ed1f30bb08dc212c5641fb2343f651e [0,1,0,0,0,0|2,0,1]=4 856 B12R0.183 CNC(=O)COCC#CC(=O)OC f67fa3096453821f694fe88781e752db [0,1,0,0,0,0|2,0,1]=4 857 B12R0.183 COC(=O)C#CCNCC(=O)OC ad5af53dfa0e149a7408c97586171c43 [0,1,0,0,0,0|2,0,1]=4 858 B12R0.183 COC(=O)C#CCNCC(Br)CBr accdfa2aeef07050f881a7a08c56f8a8 [0,1,0,0,0,0|2,0,0]=3 859 B12R0.183 COC(=O)C#CCNCC(F)CO 8d1ef93a994e1075c525d878a1cbb6f7 [0,1,0,0,0,0|2,0,0]=3 860 B12R0.183 COC(=O)C#CCNCC(O)CO e81e261d4d882a234b66678cad8ef8df [0,1,0,0,0,0|2,0,0]=3 861 B12R0.183 COC(=O)C#CCNC[C@@H](F)CO 39c5306db7e83daf82f037233c0454d0 [0,1,0,0,0,0|2,0,0]=3 862 B12R0.183 COC(=O)C#CCNC[C@@H](O)CO ccc4a1162231e46183485a169577b9d0 [0,1,0,0,0,0|2,0,0]=3 863 B12R0.183 COC(=O)C#CCNC[C@H](F)CO 698f171e99df6ed17712fd00f6b957c2 [0,1,0,0,0,0|2,0,0]=3 864 B12R0.183 COC(=O)C#CCNC[C@H](O)CO 4b3019d1d90137fc5d7268cda46704a9 [0,1,0,0,0,0|2,0,0]=3 865 B12R0.183 COC(=O)C#CCOCC(=O)OC 0ba7d587fa22c0327ab06a9ce043dd46 [0,1,0,0,0,0|2,0,1]=4 866 B12R0.183 COC(=O)C#CCOCC(Br)CBr e983577263ee9c42c8df48a454ef6022 [0,1,0,0,0,0|2,0,0]=3 867 B12R0.183 COC(=O)C#CCOCC(C)C#N e97c41c8c8106d97e187ee518b3d2ebf [0,1,0,0,0,0|2,0,1]=4 868 B12R0.183 COC(=O)C#CCOCC(C)OC d6899dc8fd852260973a9ab3b83d1004 [0,1,0,0,0,0|2,0,0]=3 869 B12R0.183 COC(=O)C#CCOCC(Cl)CCl 7bc4f7b0b7eecbbdd7162cd3eeb41a62 [0,1,0,0,0,0|2,0,0]=3 870 B12R0.183 COC(=O)C#CCOCC(O)CO 925171e2b11c4455fbdcc73e3724859d [0,1,0,0,0,0|2,0,0]=3 871 B12R0.183 COC(=O)C#CCOCC(S)CS e98255244d53031989a64fb77b237b89 [0,1,0,0,0,0|2,0,0]=3 872 B12R0.183 COC(=O)C#CCOC[C@@H](C)OC 21b13ede8fa079cba2a587a37710e71c [0,1,0,0,0,0|2,0,0]=3 873 B12R0.183 COC(=O)C#CCOC[C@@H](O)CO 1cec16a4cfa7d493e5af9e7ddb3decf4 [0,1,0,0,0,0|2,0,0]=3 874 B12R0.183 COC(=O)C#CCOC[C@H](C)OC 3df2a07e030e7cc0d26b5e556bdfbb1d [0,1,0,0,0,0|2,0,0]=3 875 B12R0.183 COC(=O)C#CCOC[C@H](O)CO cc87b4ecf737212f7eb54b52c7a407c1 [0,1,0,0,0,0|2,0,0]=3 876 B12R0.183 COC(=O)CNCCCC(C)CO 0ec523d63e64d844b4a4718be3093778 [0,1,0,0,0,0|2,0,1]=4 877 B12R0.184 C=C(C)CCNCC#CC(=O)OC a5d5f5107d7500bbb5b1030189e7ed42 [0,1,0,0,0,0|1,0,1]=3 878 B12R0.184 C=C(C)CCOCC#CC(=O)OC 4d0ce877c6312102ce715c8fa9d2a564 [0,1,0,0,0,0|1,0,1]=3 879 B12R0.184 C=C(COCCCCC(C)C)OC 19ad070460345472b7491c780a061eea [0,1,0,0,0,0|2,0,1]=4 880 B12R0.184 CCC(=O)COCCCCC(C)C 6a67363bb26ad6ef7f07a3eb1b0f1840 [0,1,0,0,0,0|2,0,1]=4 881 B12R0.184 CCC(=O)NCCCCCC(C)C 26741a41b58a1dc6614c9bbe0e7045e9 [0,1,0,0,0,0|2,0,1]=4 882 B12R0.184 CNC(=O)CNCCCCC(C)C 27b860c7981d719cd66b67940a4c1498 [0,1,0,0,0,0|2,0,1]=4 883 B12R0.184 CNC(=O)CNCCCCC(C)O be107ee09616c35f4ed455f30771c45b [0,1,0,0,0,0|2,0,1]=4 884 B12R0.184 CNC(=O)CNCCCC[C@@H](C)O 29da0ca8f4942e09f48e8967731f9279 [0,1,0,0,0,0|2,0,1]=4 885 B12R0.184 CNC(=O)COCCCCC(C)C 92f607a5c9d75285fd29571212e62b54 [0,1,0,0,0,0|2,0,1]=4 886 B12R0.184 COC(=O)/C=C/CNCCC(C)C 2600277d9cbeb0940b3601773ec9074c [0,1,0,0,0,0|1,0,2]=4 887 B12R0.184 COC(=O)/C=C/CNCCC(C)O 403aa624a81c4dc9ad1d6b8ae62c01fa [0,1,0,0,0,0|1,0,2]=4 888 B12R0.184 COC(=O)/C=C/CNCC[C@@H](C)O f686e8b5404d4bcaacbf9ce43395fb13 [0,1,0,0,0,0|1,0,2]=4 889 B12R0.184 COC(=O)/C=C/CNCC[C@H](C)O c477e09b21ad9f6aab3212c65abc8516 [0,1,0,0,0,0|1,0,2]=4 890 B12R0.184 COC(=O)/C=C/COCCC(C)C 186dbc99682e080649ff89428b624fb1 [0,1,0,0,0,0|1,0,2]=4 891 B12R0.184 COC(=O)/C=C\CNCCC(C)C 82b4ced000bdf7c253f7901732426ac6 [0,1,0,0,0,0|1,0,2]=4 892 B12R0.184 COC(=O)/C=C\CNCCC(C)O 617698cd5c2177029e70d0bd3d03b352 [0,1,0,0,0,0|1,0,2]=4 893 B12R0.184 COC(=O)/C=C\CNCC[C@@H](C)O 6df73e6c54d78deb0ea3bb2b52645476 [0,1,0,0,0,0|1,0,2]=4 894 B12R0.184 COC(=O)/C=C\CNCC[C@H](C)O b26cb488e9eb3f5984fd5a132e8a987b [0,1,0,0,0,0|1,0,2]=4 895 B12R0.184 COC(=O)/C=C\COCCC(C)C 5176ae63c764c7f19e711d306d86dfd5 [0,1,0,0,0,0|1,0,2]=4 896 B12R0.184 COC(=O)C#CCNCC=C(C)C cfb62de3514db82d421cf6e4fae2e77a [0,1,0,0,0,0|1,0,2]=4 897 B12R0.184 COC(=O)C#CCNCCC(=S)N 72169bd16429dca9c7e27f2e1df1802d [0,1,0,0,0,0|2,0,1]=4 898 B12R0.184 COC(=O)C#CCNCCC(C)C 2976ec2c863dd0ed717ea718b7fdc0fc [0,1,0,0,0,0|1,0,0]=2 899 B12R0.184 COC(=O)C#CCNCCC(C)O 2cfd455f42d12241fdc8684a8188e7d5 [0,1,0,0,0,0|1,0,0]=2 900 B12R0.184 COC(=O)C#CCNCCC(F)F bddde7a9d0019c9d37d7b78dc8a386db [0,1,0,0,0,0|2,0,0]=3 901 B12R0.184 COC(=O)C#CCNCCS(=O)C 819b84af46fbd857c9f8d05245c9a459 [0,1,0,0,0,0|2,0,0]=3 902 B12R0.184 COC(=O)C#CCNCCS(=O)O 15b84c020c88ace3653bee0c97677a70 [0,1,0,0,0,0|3,0,0]=4 903 B12R0.184 COC(=O)C#CCNCC[C@@H](C)O 5e8dd5cbca2f4e87c4f3caa46adfda78 [0,1,0,0,0,0|1,0,0]=2 904 B12R0.184 COC(=O)C#CCNCC[C@H](C)O 7a44b3d8990be458cb169abf3fea2e39 [0,1,0,0,0,0|1,0,0]=2 905 B12R0.184 COC(=O)C#CCOC/C=C(/C)\Cl 49f25182e290479913376f77455928e0 [0,1,0,0,0,0|1,0,2]=4 906 B12R0.184 COC(=O)C#CCOC/C=C(/C)\I 81acd053baa99601ddd7aaa5eef82a64 [0,1,0,0,0,0|1,0,2]=4 907 B12R0.184 COC(=O)C#CCOC/C=C(\C)/Cl 723a1871423bb11a70b5530d8f8f84d1 [0,1,0,0,0,0|1,0,2]=4 908 B12R0.184 COC(=O)C#CCOCC=C(C)C c03c80ab1a06bf8b221b68304c0fe5b8 [0,1,0,0,0,0|1,0,2]=4 909 B12R0.184 COC(=O)C#CCOCC=C(C)Cl 3bf15910cdcd98a77cc677813d5e90ca [0,1,0,0,0,0|1,0,2]=4 910 B12R0.184 COC(=O)C#CCOCC=C(C)I 42c583ade9d8a9bf07c485edcfd0605c [0,1,0,0,0,0|1,0,2]=4 911 B12R0.184 COC(=O)C#CCOCCC(=O)C 7f3a809160b190875bb7443ee49690ac [0,1,0,0,0,0|1,0,1]=3 912 B12R0.184 COC(=O)C#CCOCCC(=O)N 738a6be41ce6f5bd7fc596770a8d70a4 [0,1,0,0,0,0|2,0,1]=4 913 B12R0.184 COC(=O)C#CCOCCC(=O)O 355d348ab27325fc90067181b7d8ff37 [0,1,0,0,0,0|2,0,1]=4 914 B12R0.184 COC(=O)C#CCOCCC(C)C 0067e1a0f8dc5913befbbd24792bd0f3 [0,1,0,0,0,0|1,0,0]=2 915 B12R0.184 COC(=O)C#CCOCCC(F)F 9802efafaa54da775d332c887ec02d5d [0,1,0,0,0,0|2,0,0]=3 916 B12R0.184 COC(=O)C#CCOCCN(C)C 9d4606b8c09b88c0844d0aa2d50b9d67 [0,1,0,0,0,0|2,0,0]=3 917 B12R0.184 COC(=O)C#CCOCCS(=O)C 37aef0896ccb385180b7fb100d46fca8 [0,1,0,0,0,0|2,0,0]=3 918 B12R0.184 COC(=O)C#CCOCC[N+](=O)[O-] 935064cde4fe92d5b47fec92791a3ab2 [0,1,0,0,0,0|3,0,0]=4 919 B12R0.184 COC(=O)C#CCOCOC(=O)C b6a8e1a61457dcdcd71204bb96dff47a [0,1,0,0,0,0|2,0,1]=4 920 B12R0.184 COC(=O)C#CCOCOC(C)C 836e603da0a0c34b31430fece602aaf9 [0,1,0,0,0,0|2,0,0]=3 921 B12R0.184 COC(=O)C=CCNCCC(C)C 5fde4d2c2d98650d1c3abfe7ab5b8701 [0,1,0,0,0,0|1,0,2]=4 922 B12R0.184 COC(=O)C=CCNCCC(C)O 3fdbed1aa2790efd838ae662bf247dae [0,1,0,0,0,0|1,0,2]=4 923 B12R0.184 COC(=O)C=CCNCC[C@@H](C)O a06e446f58bdfa5fb1deadf25a30531a [0,1,0,0,0,0|1,0,2]=4 924 B12R0.184 COC(=O)C=CCNCC[C@H](C)O 9d84a3cf0239992fec287c0bb2aa394f [0,1,0,0,0,0|1,0,2]=4 925 B12R0.184 COC(=O)C=CCOCCC(C)C 55c1fd6f493883cce7843bc5dfa20f73 [0,1,0,0,0,0|1,0,2]=4 926 B12R0.184 COC(=O)CCCCCNC(C)C e4c4364139c573a61270fb735960e5b8 [0,1,0,0,0,0|1,0,2]=4 927 B12R0.184 COC(=O)CCCCCOC(C)C 2e40cb4f72a05a1a15f2fc56e083b30e [0,1,0,0,0,0|1,0,2]=4 928 B12R0.184 COC(=O)CCCCNCC(C)C 20fdf39c7e8971dc18ce6a71d51edbff [0,1,0,0,0,0|1,0,2]=4 929 B12R0.184 COC(=O)CCCCNCC(C)O 3a91e87a6308af785bb72a3f6d20e373 [0,1,0,0,0,0|1,0,2]=4 930 B12R0.184 COC(=O)CCCCNC[C@@H](C)O b262084a030138f68f3c03a5e35baca9 [0,1,0,0,0,0|1,0,2]=4 931 B12R0.184 COC(=O)CCCCNC[C@H](C)O 4205c96bfc07b0de50538ee503ea269f [0,1,0,0,0,0|1,0,2]=4 932 B12R0.184 COC(=O)CCCCOCC(C)C 1ca68c733867516b14de7385f7d7f5d7 [0,1,0,0,0,0|1,0,2]=4 933 B12R0.184 COC(=O)CCCCOCC(C)F 34d1b3b1064b5bd7dea349f19fd9118a [0,1,0,0,0,0|1,0,2]=4 934 B12R0.184 COC(=O)CCCCOCC(C)S 561023bb5ea6895115be7d8dd5852d50 [0,1,0,0,0,0|1,0,2]=4 935 B12R0.184 COC(=O)CCCCOC[C@@H](C)F 35b5b1ebcf4e074c0f604a599e3534d2 [0,1,0,0,0,0|1,0,2]=4 936 B12R0.184 COC(=O)CCCCOC[C@H](C)F 4583b1dafc042818175d2e91c0f8d19d [0,1,0,0,0,0|1,0,2]=4 937 B12R0.184 COC(=O)CCCNCCC(C)C 3bb02491cec787c4a5e613b2a02f1a14 [0,1,0,0,0,0|1,0,2]=4 938 B12R0.184 COC(=O)CCCNCCC(C)O 9c1493174fcfea41f6aad482f131c268 [0,1,0,0,0,0|1,0,2]=4 939 B12R0.184 COC(=O)CCCNCC[C@@H](C)O 1d2338799f321386edeffe7197a83773 [0,1,0,0,0,0|1,0,2]=4 940 B12R0.184 COC(=O)CCCNCC[C@H](C)O 57283e227293800b7dc98c060e880c95 [0,1,0,0,0,0|1,0,2]=4 941 B12R0.184 COC(=O)CCCOCCC(C)C f2d72b3da82325319b4b75703841155b [0,1,0,0,0,0|1,0,2]=4 942 B12R0.184 COC(=O)CCNCCCC(C)C 82a548ececb816c6b329d328ef5bd48f [0,1,0,0,0,0|1,0,2]=4 943 B12R0.184 COC(=O)CCNCCCC(C)O e437758d2c7709ae14b58722af30fa1c [0,1,0,0,0,0|1,0,2]=4 944 B12R0.184 COC(=O)CCOCCCC(C)C 29629814b448cbf4e74929d30f12e83f [0,1,0,0,0,0|1,0,2]=4 945 B12R0.184 COC(=O)CNCCCCC(=O)C 736373d65d48b8a335d23a20efdc0bd3 [0,1,0,0,0,0|1,0,2]=4 946 B12R0.184 COC(=O)CNCCCCC(C)C 8f2b37aede55d4c47c097bfd4ae5812e [0,1,0,0,0,0|1,0,1]=3 947 B12R0.184 COC(=O)CNCCCCC(C)O 21351e7f9fd19ba0ebb42e56bea401ce [0,1,0,0,0,0|1,0,1]=3 948 B12R0.184 COC(=O)CNCCCCC(F)F 00b18b37121994a8bb8a3d0b88922fd2 [0,1,0,0,0,0|2,0,1]=4 949 B12R0.184 COC(=O)CNCCCCN(C)C 19ca5e8aa7bb7b25bf3fd6d34eaf42df [0,1,0,0,0,0|2,0,1]=4 950 B12R0.184 COC(=O)CNCCCC[C@@H](C)O 44493351ac0669b1337667d7df301e63 [0,1,0,0,0,0|1,0,1]=3 951 B12R0.184 COC(=O)CNCCCOC(C)C 57a7bb0e81b29aafaafdbbe56e80eea3 [0,1,0,0,0,0|2,0,1]=4 952 B12R0.184 COC(=O)CNCCCSC(C)C a822b3b81c835cafe61e5587cb4d1b87 [0,1,0,0,0,0|2,0,1]=4 953 B12R0.184 COC(=O)CNCCOCC(C)C 9ee15c10fd8ffcf94f1ae12b4dfc40fb [0,1,0,0,0,0|2,0,1]=4 954 B12R0.184 COC(=O)COCCCCC(=O)C 0f2bfa16545bc2ebc3021c531b08d9ee [0,1,0,0,0,0|1,0,2]=4 955 B12R0.184 COC(=O)COCCCCC(C)C c343e5cf4736d2369edd770fbb844da3 [0,1,0,0,0,0|1,0,1]=3 956 B12R0.184 COC(=O)COCCCCN(C)C d63c12ee206a0257b11473553de22103 [0,1,0,0,0,0|2,0,1]=4 957 B12R0.184 COC(=O)COCCCOC(C)C 3aa8701a506cc1df2904d9b76e634c5b [0,1,0,0,0,0|2,0,1]=4 958 B12R0.184 COC(=O)COCCCSC(C)C 1619b311cbeb0c79c525358e4d03ffa7 [0,1,0,0,0,0|2,0,1]=4 959 B12R0.184 COC(=O)COCCNCC(C)C 2f6a961967470c8b61140de14caaf824 [0,1,0,0,0,0|2,0,1]=4 960 B12R0.184 COC(=O)COCCNCC(C)O 41e243109d197cc4a3bec6c6c8672ff5 [0,1,0,0,0,0|2,0,1]=4 961 B12R0.184 COC(=O)COCCNC[C@@H](C)O ede81ee8f0e9be413944faca23127e1f [0,1,0,0,0,0|2,0,1]=4 962 B12R0.184 COC(=O)COCCNC[C@H](C)O f52136184241a61c04b660f3242d27af [0,1,0,0,0,0|2,0,1]=4 963 B12R0.184 COC(=O)COCCOCC(C)C 93f5b82a727c1373865de6ff613b9ee0 [0,1,0,0,0,0|2,0,1]=4 964 B12R0.184 COC(=O)COCCOCC(C)F 73e2f7a0b4ddebf376d6720cddf547db [0,1,0,0,0,0|2,0,1]=4 965 B12R0.184 COC(=O)COCCOCC(C)S c4e90723090085853e8ab88342aee655 [0,1,0,0,0,0|2,0,1]=4 966 B12R0.184 COC(=O)COCCOC[C@@H](C)F 53a621ef1a5d6ffc704d4ec8cf2df81a [0,1,0,0,0,0|2,0,1]=4 967 B12R0.184 COC(=O)COCCOC[C@H](C)F 06b62668da21411962997e4ca9b9d5a7 [0,1,0,0,0,0|2,0,1]=4 968 B12R0.184 COC(=O)COCCSCC(C)C a733af6f2a4c040968ceaa22a2329a9e [0,1,0,0,0,0|2,0,1]=4 969 B12R0.184 COC(=O)CSCCCOC(C)C 274b6ded351a42a9895f7aefa4c64397 [0,1,0,0,0,0|2,0,1]=4 970 B12R0.184 COC(=O)OCCOCCC(C)C 981d54d4bb53f8ba85d392cb24933864 [0,1,0,0,0,0|2,0,1]=4 971 B12R0.184 COC(=O)OCNCCCC(C)C 3c9cf5a50df15df917576706a9299f51 [0,1,0,0,0,0|2,0,1]=4 972 B12R0.184 COC(=O)OCOCCCC(C)C a4bc87b8d4ec7d52e72d121ea7a6679c [0,1,0,0,0,0|2,0,1]=4 973 B12R0.248 C#CCCCCCNCC(=O)OC 520d23acc6f0ab6137c3b605896478b7 [0,1,0,0,0,0|1,0,2]=4 974 B12R0.248 C#CCCCCCOCC(=O)OC 48d6ed526b7a97d74294c4451f2c9346 [0,1,0,0,0,0|1,0,2]=4 975 B12R0.248 C#CCCCNCC#CC(=O)OC 921d31c3ed3b645a12a9bd579534a70b [0,1,0,0,0,0|0,0,2]=3 976 B12R0.248 C#CCCCOCC#CC(=O)OC 86f04d648037edd22af18793417693b4 [0,1,0,0,0,0|0,0,2]=3 977 B12R0.248 C/C=C/CCOCC#CC(=O)OC 6fb29c4715ffdb0b5a833d46110a3597 [0,1,0,0,0,0|0,0,2]=3 978 B12R0.248 C=C(CNCCCCCCC)OC 043016b208b4d94cb43d8730512ebf8d [0,1,0,0,0,0|1,0,2]=4 979 B12R0.248 C=C(CNCCCCCCCl)OC f983171f2dd9ffd1603757ba74befaf2 [0,1,0,0,0,0|2,0,1]=4 980 B12R0.248 C=C(CNCCCCCCO)OC 63d666a961311c5c95dd1c201f18e204 [0,1,0,0,0,0|2,0,1]=4 981 B12R0.248 C=C(CNCCCCCOC)OC 8f547a0f7668fb1d86022f1a9488aa0f [0,1,0,0,0,0|2,0,1]=4 982 B12R0.248 C=C(CNCCCCSCC)OC c0bae8ee7f16854b864d3f72ae589740 [0,1,0,0,0,0|2,0,1]=4 983 B12R0.248 C=C(CNCCCOCCC)OC b2dffabe3c9d3489949a526b4f61cddb [0,1,0,0,0,0|2,0,1]=4 984 B12R0.248 C=C(CNCCOCCCC)OC 2e54f77a9f8a352597a85033a8bd279b [0,1,0,0,0,0|2,0,1]=4 985 B12R0.248 C=C(COCCCCCCC)OC 0192794a2c9e9295c9ea6e2f5364ef87 [0,1,0,0,0,0|1,0,2]=4 986 B12R0.248 C=C(COCCCCCCF)OC dfab4e748ad28e7178beacc907594cf9 [0,1,0,0,0,0|2,0,1]=4 987 B12R0.248 C=C(COCCCCCCS)OC 2e2be5a907c4068ce52873dc29eaf211 [0,1,0,0,0,0|2,0,1]=4 988 B12R0.248 C=C(COCCOCCCC)OC ccd104d88075853750444d90b44c0806 [0,1,0,0,0,0|2,0,1]=4 989 B12R0.248 C=C(COCCSCCCC)OC b03057f64f2124db88609a8373645009 [0,1,0,0,0,0|2,0,1]=4 990 B12R0.248 C=C=CCCOCC#CC(=O)OC 3ef2e58fa82395fdc1ad9de1952f287f [0,1,0,0,0,0|0,0,3]=4 991 B12R0.248 C=CCCCCCNCC(=O)OC a4c628b10e1a7c79bc97e884a11a44a4 [0,1,0,0,0,0|1,0,2]=4 992 B12R0.248 C=CCCCCCOCC(=O)OC 1ff41dfb3f700cb947df28a39f84a101 [0,1,0,0,0,0|1,0,2]=4 993 B12R0.248 C=CCCCNCC#CC(=O)OC 5e6a1a6ac3b573995edf058bbc960904 [0,1,0,0,0,0|0,0,2]=3 994 B12R0.248 C=CCCCOCC#CC(=O)OC bd0dce1004f0a8024c368277c0e58564 [0,1,0,0,0,0|0,0,2]=3 995 B12R0.248 C=COCCNCC#CC(=O)OC d70aac8b7962a3f1a861adf209365283 [0,1,0,0,0,0|1,0,2]=4 996 B12R0.248 C=COCCOCC#CC(=O)OC 73eb2a30c8a0ef48fe3cde3db907cc3f [0,1,0,0,0,0|1,0,2]=4 997 B12R0.248 CC#CCCOCC#CC(=O)OC d93ed0aa3f716646a87025573bb50299 [0,1,0,0,0,0|0,0,2]=3 998 B12R0.248 CC/C=C/COCC#CC(=O)OC 1a8b528b7301f1ac5006738ac63c2ae1 [0,1,0,0,0,0|0,0,2]=3 999 B12R0.248 CC/C=C\CCCOCC(=O)OC 33767f297a0786df1f7dfbd63a249d4e [0,1,0,0,0,0|1,0,2]=4 1000 B12R0.248 CC/C=C\COCC#CC(=O)OC 4ac0bcad2603b2d1e12b38dad8fb005f [0,1,0,0,0,0|0,0,2]=3 1001 B12R0.248 CCC#CCOCC#CC(=O)OC 16b126b6f7943ec013ab0296889e032d [0,1,0,0,0,0|0,0,2]=3 1002 B12R0.248 CCC(=O)CNCCCCCCCl 15b711b67723864bb6870df906c803dc [0,1,0,0,0,0|2,0,1]=4 1003 B12R0.248 CCC(=O)CNCCCCCCO 3bd6495eb8a44431ecbf0b7f93a3732c [0,1,0,0,0,0|2,0,1]=4 1004 B12R0.248 CCC(=O)CNCCCCCOC bf6576c1ab05016e3e0b558503cb3c7e [0,1,0,0,0,0|2,0,1]=4 1005 B12R0.248 CCC(=O)COCCCCCCF f84c0266d0bdada97574a117de11577b [0,1,0,0,0,0|2,0,1]=4 1006 B12R0.248 CCC(=O)COCCCCCCS ff88f3593acf82bc428acc7729e20e21 [0,1,0,0,0,0|2,0,1]=4 1007 B12R0.248 CCC(=O)COCCCCCOC 1809792bfd10bb7959865f765295b78f [0,1,0,0,0,0|2,0,1]=4 1008 B12R0.248 CCC(=O)NCCCCCCCO 6eed6530831d420f466164dc32f13bd7 [0,1,0,0,0,0|2,0,1]=4 1009 B12R0.248 CCC/C=C\CCOCC(=O)OC ef4e3b273988452c912c65b248282ee3 [0,1,0,0,0,0|1,0,2]=4 1010 B12R0.248 CCCC#CCCOCC(=O)OC 329db3d62d3f0d05c23c5d66aa256a5e [0,1,0,0,0,0|1,0,2]=4 1011 B12R0.248 CCCC/C=C/CNCC(=O)OC 2238e6859741601f307ad72f9eab2cee [0,1,0,0,0,0|1,0,2]=4 1012 B12R0.248 CCCC/C=C/COCC(=O)OC 59c42c9b842c8ce1475fd05126a2ee05 [0,1,0,0,0,0|1,0,2]=4 1013 B12R0.248 CCCC/C=C\CNCC(=O)OC b79e06c82cbd65ea19065a8f4f16fb90 [0,1,0,0,0,0|1,0,2]=4 1014 B12R0.248 CCCC/C=C\COCC(=O)OC d06c100fefc83b382e9829320a80ff8d [0,1,0,0,0,0|1,0,2]=4 1015 B12R0.248 CCCCC#CCOCC(=O)OC 8ed4f3a0313f013e51bb0f0cd6599b39 [0,1,0,0,0,0|1,0,2]=4 1016 B12R0.248 CCCCCCCCNC(=O)CC 8d5ca65c7bc055f65ae9b9c0d4864e57 [0,1,0,0,0,0|1,0,2]=4 1017 B12R0.248 CCCCCCCNCC(=O)CC 89ed05db9bec07e2e6db05ecef7a0fca [0,1,0,0,0,0|1,0,2]=4 1018 B12R0.248 CCCCCCCNCC(=O)NC 6d9648dacdcc37bc39a5a62812b40b4f [0,1,0,0,0,0|1,0,2]=4 1019 B12R0.248 CCCCCCCNCC(=O)OC 2a593dbd0b5d06f61843f359317cdf86 [0,1,0,0,0,0|0,0,2]=3 1020 B12R0.248 CCCCCCCOCC(=O)CC a8acc97960556a375783be8199237dca [0,1,0,0,0,0|1,0,2]=4 1021 B12R0.248 CCCCCCCOCC(=O)NC f6472919275e3b150f6c0e20fb6ced2d [0,1,0,0,0,0|1,0,2]=4 1022 B12R0.248 CCCCCCCOCC(=O)OC 04031205afbe774e5f21f17cc5098880 [0,1,0,0,0,0|0,0,2]=3 1023 B12R0.248 CCCCCCNCCC(=O)NC f03ff6a74684820323d170d68c8c9cc7 [0,1,0,0,0,0|1,0,2]=4 1024 B12R0.248 CCCCCCNCCC(=O)OC 88018f823e6b9b368e308c072245caf2 [0,1,0,0,0,0|0,0,2]=3 1025 B12R0.248 CCCCCCNCOC(=O)CC de7acfa60fcfbcd75fcb15b0338dbcdd [0,1,0,0,0,0|2,0,1]=4 1026 B12R0.248 CCCCCCNCOC(=O)OC bee4c1191bdb64c03121e2b1fdaf6261 [0,1,0,0,0,0|1,0,1]=3 1027 B12R0.248 CCCCCCOCCC(=O)NC dc8f3be555a715028c848fc47355aefa [0,1,0,0,0,0|1,0,2]=4 1028 B12R0.248 CCCCCCOCCC(=O)OC fcfca6f4a105eb36c6bdf010574fee04 [0,1,0,0,0,0|0,0,2]=3 1029 B12R0.248 CCCCCCOCOC(=O)CC 3b1eb2d7210e074df13a997019128ed2 [0,1,0,0,0,0|2,0,1]=4 1030 B12R0.248 CCCCCCOCOC(=O)OC ece183946507c64ea1bf47b28c6807f3 [0,1,0,0,0,0|1,0,1]=3 1031 B12R0.248 CCCCCNC/C=C/C(=O)OC 70c858835df86f408c211f981d46763f [0,1,0,0,0,0|0,0,2]=3 1032 B12R0.248 CCCCCNC/C=C\C(=O)OC 4d4efc8bc818675609d9a6849ad99f0f [0,1,0,0,0,0|0,0,2]=3 1033 B12R0.248 CCCCCNCC#CC(=O)OC 81df4a10bdf114f27e2cbc2a2e4d33db [0,1,0,0,0,0|0,0,0]=1 1034 B12R0.248 CCCCCNCC=CC(=O)OC 7bd7bd9430fda515f90324f65a892be0 [0,1,0,0,0,0|0,0,2]=3 1035 B12R0.248 CCCCCNCCCC(=O)NC 9e3cd31bd5bd22bd1e57817a487c3f2c [0,1,0,0,0,0|1,0,2]=4 1036 B12R0.248 CCCCCNCCCC(=O)OC df636db288139b82b44ccdc35fadd3aa [0,1,0,0,0,0|0,0,2]=3 1037 B12R0.248 CCCCCNCCNC(=O)CC cdceed1f0b72ea8f2dfb8d1c096a0193 [0,1,0,0,0,0|2,0,1]=4 1038 B12R0.248 CCCCCOC/C=C/C(=O)OC b64f88cac1fa45b860e98adfff12eb1b [0,1,0,0,0,0|0,0,2]=3 1039 B12R0.248 CCCCCOC/C=C\C(=O)OC 9c5e736562ff53312c6cd34c13bf4f02 [0,1,0,0,0,0|0,0,2]=3 1040 B12R0.248 CCCCCOCC#CC(=O)OC 6a87dee1cd4b80f4f8802530b6b63a71 [0,1,0,0,0,0|0,0,0]=1 1041 B12R0.248 CCCCCOCC=CC(=O)OC ae15838d7192ab0d8d26d23881dc06e6 [0,1,0,0,0,0|0,0,2]=3 1042 B12R0.248 CCCCCOCCCC(=O)NC 26adbe93f4240f6151d8eb03ba68d821 [0,1,0,0,0,0|1,0,2]=4 1043 B12R0.248 CCCCCOCCCC(=O)OC 6d595d79d4a782dba780cd78bb66a9c8 [0,1,0,0,0,0|0,0,2]=3 1044 B12R0.248 CCCCCOCCNC(=O)CC dc63ddbc4f1369b6b1650cd52229a426 [0,1,0,0,0,0|2,0,1]=4 1045 B12R0.248 CCCCCOCCOC(=O)CC c5dcbbaf984711ca2355a0d7dcdc1660 [0,1,0,0,0,0|2,0,1]=4 1046 B12R0.248 CCCCCOCCOC(=O)OC 959bff4929d622ff13c888beceb3b015 [0,1,0,0,0,0|1,0,1]=3 1047 B12R0.248 CCCCNCCCCC(=O)CC 75ca588ca1aaa2c811fe1088d3346fe6 [0,1,0,0,0,0|1,0,2]=4 1048 B12R0.248 CCCCNCCCCC(=O)OC 581f41ce8229ec98b014f7c6df60648e [0,1,0,0,0,0|0,0,2]=3 1049 B12R0.248 CCCCNCCOCC(=O)OC 5c4255bebbafa583bf8806a236c674c5 [0,1,0,0,0,0|1,0,1]=3 1050 B12R0.248 CCCCOCCCCC(=O)CC e302404d6275421b52ba8d82a0a0ca19 [0,1,0,0,0,0|1,0,2]=4 1051 B12R0.248 CCCCOCCCCC(=O)OC dd999d0123fc4f5efca686b1cd68edc5 [0,1,0,0,0,0|0,0,2]=3 1052 B12R0.248 CCCCOCCCNC(=O)CC 8c32a8226d92a17d8be681c140dc721d [0,1,0,0,0,0|2,0,1]=4 1053 B12R0.248 CCCCOCCNCC(=O)CC 75d8a218093f78d329e5af052bed1a65 [0,1,0,0,0,0|2,0,1]=4 1054 B12R0.248 CCCCOCCNCC(=O)NC f898608fb7ef4ddfb6fa13e9c77dc7d8 [0,1,0,0,0,0|2,0,1]=4 1055 B12R0.248 CCCCOCCNCC(=O)OC 74a694a213d8fbe68f34631ef61343ca [0,1,0,0,0,0|1,0,1]=3 1056 B12R0.248 CCCCOCCOCC(=O)CC f8726fa251e7ad9e9e69f1f33724cf83 [0,1,0,0,0,0|2,0,1]=4 1057 B12R0.248 CCCCOCCOCC(=O)NC ac82276108a30c92d813f13018c5fe49 [0,1,0,0,0,0|2,0,1]=4 1058 B12R0.248 CCCCOCCOCC(=O)OC 89e5eb57f9e7cc4bc78d0b574208e016 [0,1,0,0,0,0|1,0,1]=3 1059 B12R0.248 CCCCOCNCCC(=O)OC 35b500e39525256661d143221b8cca4b [0,1,0,0,0,0|1,0,2]=4 1060 B12R0.248 CCCCOCOCCC(=O)OC 8b2491aaa475fceebe5f1f149aac5b84 [0,1,0,0,0,0|1,0,2]=4 1061 B12R0.248 CCCCSCCOCC(=O)CC 372f02d9258a1c8a160b99b888c2d707 [0,1,0,0,0,0|2,0,1]=4 1062 B12R0.248 CCCCSCCOCC(=O)NC ca1fa540b738ce75e5bf3aee2e912ff9 [0,1,0,0,0,0|2,0,1]=4 1063 B12R0.248 CCCCSCCOCC(=O)OC 145c4c3a5eb2ca080e078e83a0e608f4 [0,1,0,0,0,0|1,0,1]=3 1064 B12R0.248 CCCNCCCCCC(=O)OC 50a153133ff67a283d48c3f51024f3bc [0,1,0,0,0,0|0,0,2]=3 1065 B12R0.248 CCCNCCCOCC(=O)OC b2aa7a5284f8591f17b473536da738ed [0,1,0,0,0,0|1,0,1]=3 1066 B12R0.248 CCCNCCCSCC(=O)OC b3335d0864fc04e62cdc98eb684525c6 [0,1,0,0,0,0|1,0,1]=3 1067 B12R0.248 CCCOCCCCCC(=O)OC 852d725e6d7eda057314915a42d96742 [0,1,0,0,0,0|0,0,2]=3 1068 B12R0.248 CCCOCCCNCC(=O)CC 011b5ed9b3ea255ad0d64e184a310b69 [0,1,0,0,0,0|2,0,1]=4 1069 B12R0.248 CCCOCCCNCC(=O)NC d0bf5d40be163a4fdf55851a16ff1767 [0,1,0,0,0,0|2,0,1]=4 1070 B12R0.248 CCCOCCCNCC(=O)OC 9c1c87eb62581407822b7f3c4196991b [0,1,0,0,0,0|1,0,1]=3 1071 B12R0.248 CCCOCCCOCC(=O)CC 3d5a90d91906d494b786ce6fb0994cf6 [0,1,0,0,0,0|2,0,1]=4 1072 B12R0.248 CCCOCCCOCC(=O)NC 17d60232e22fca00a9030372005c49a4 [0,1,0,0,0,0|2,0,1]=4 1073 B12R0.248 CCCOCCCOCC(=O)OC d8c6a362f9f11e152b9e6f7b79f3b153 [0,1,0,0,0,0|1,0,1]=3 1074 B12R0.248 CCCOCCCSCC(=O)OC 352c21c3b8775780a1f5e81633558eeb [0,1,0,0,0,0|1,0,1]=3 1075 B12R0.248 CCCOCCNCCC(=O)OC 35af4a5bb785702b1c7d1831c9a23905 [0,1,0,0,0,0|1,0,2]=4 1076 B12R0.248 CCCOCCNCOC(=O)OC b4eda17b052f9b1c706967f6d17d047e [0,1,0,0,0,0|2,0,1]=4 1077 B12R0.248 CCCOCCOCCC(=O)OC a89b6adface311e78cbe8e8138bacded [0,1,0,0,0,0|1,0,2]=4 1078 B12R0.248 CCCOCCOCOC(=O)OC 6df05e2b2595ed95be680a7bcc704804 [0,1,0,0,0,0|2,0,1]=4 1079 B12R0.248 CCCSCCCCNC(=O)CC 6ef64e56d6e70e23a877afb15366a972 [0,1,0,0,0,0|2,0,1]=4 1080 B12R0.248 CCCSCCOCCC(=O)OC 85f0fccad2b77557055b9c6707ac1159 [0,1,0,0,0,0|1,0,2]=4 1081 B12R0.248 CCCSCCOCOC(=O)OC 926010db241241d47e7af1bc7db039ee [0,1,0,0,0,0|2,0,1]=4 1082 B12R0.248 CCNCCCCCCC(=O)OC 1cc47f298a3d094fe024703851966ff0 [0,1,0,0,0,0|0,0,2]=3 1083 B12R0.248 CCOCCCCCCC(=O)OC 86e68201f215ac95030704e4770cdead [0,1,0,0,0,0|0,0,2]=3 1084 B12R0.248 CCOCCCNCCC(=O)OC d9235f04256776355ebd81171f13737c [0,1,0,0,0,0|1,0,2]=4 1085 B12R0.248 CCOCCCNCOC(=O)OC b7fa64a3aa9e7807abe2fce023788106 [0,1,0,0,0,0|2,0,1]=4 1086 B12R0.248 CCOCCCOCCC(=O)OC f43e2a7eae5b1694cfc0c56370a39441 [0,1,0,0,0,0|1,0,2]=4 1087 B12R0.248 CCOCCCOCOC(=O)OC c483c8307db2c91fb847b71b1f9a2a7a [0,1,0,0,0,0|2,0,1]=4 1088 B12R0.248 CCOCCNC/C=C/C(=O)OC 4a033fa052533c7b44bb108f0b6bf03b [0,1,0,0,0,0|1,0,2]=4 1089 B12R0.248 CCOCCNC/C=C\C(=O)OC 0106de86818965c477bb3405ca09f74b [0,1,0,0,0,0|1,0,2]=4 1090 B12R0.248 CCOCCNCC#CC(=O)OC d6cef4e474e876e386e6ae623de21d76 [0,1,0,0,0,0|1,0,0]=2 1091 B12R0.248 CCOCCNCC=CC(=O)OC 5bd84a18cd55297d0c9e2753861e271d [0,1,0,0,0,0|1,0,2]=4 1092 B12R0.248 CCOCCNCCCC(=O)OC 7da5cb5b39e907bead146b139ade95a5 [0,1,0,0,0,0|1,0,2]=4 1093 B12R0.248 CCOCCOC/C=C/C(=O)OC dc7ff5320ab434467bfc2f90cae1d85c [0,1,0,0,0,0|1,0,2]=4 1094 B12R0.248 CCOCCOC/C=C\C(=O)OC 7230fd3b4c2409d9ee39ea2d79a72cd9 [0,1,0,0,0,0|1,0,2]=4 1095 B12R0.248 CCOCCOCC#CC(=O)OC 86cd18d161c548a549fd5b512a6999b0 [0,1,0,0,0,0|1,0,0]=2 1096 B12R0.248 CCOCCOCC=CC(=O)OC 42df7a208ec18b335288f17b9e32e5df [0,1,0,0,0,0|1,0,2]=4 1097 B12R0.248 CCOCCOCCCC(=O)OC 43038f2c2e555b478f6609b939240189 [0,1,0,0,0,0|1,0,2]=4 1098 B12R0.248 CCOCCOCCOC(=O)OC e58e0c4eca4cdf2b88ad67dcda0aaabd [0,1,0,0,0,0|2,0,1]=4 1099 B12R0.248 CCOCNCCCCC(=O)OC 966b91d864aaa40ea1dcafe6f13e1f05 [0,1,0,0,0,0|1,0,2]=4 1100 B12R0.248 CCOCOCCCCC(=O)OC bc297d7a2b127a12b0faa0f414b0e8ab [0,1,0,0,0,0|1,0,2]=4 1101 B12R0.248 CCOCOCCOCC(=O)OC e5a94cbce87aadf8e4a26ac7f9db3553 [0,1,0,0,0,0|2,0,1]=4 1102 B12R0.248 CCSCCCCNCC(=O)CC 4bf4db053254de358f5e68cdbc3a3d64 [0,1,0,0,0,0|2,0,1]=4 1103 B12R0.248 CCSCCCCNCC(=O)NC 1a13095f2ac38049bb97fe2a35bbad32 [0,1,0,0,0,0|2,0,1]=4 1104 B12R0.248 CCSCCCCNCC(=O)OC 2368177f1d00eaadb858c99712d5391f [0,1,0,0,0,0|1,0,1]=3 1105 B12R0.248 CCSCCCNCCC(=O)OC b5c11d6e903cc927f9a35805073bcfda [0,1,0,0,0,0|1,0,2]=4 1106 B12R0.248 CCSCCCOCCC(=O)OC 04c5e4a8ae081d870066ed55798da268 [0,1,0,0,0,0|1,0,2]=4 1107 B12R0.248 CCSCCCOCOC(=O)OC 972be63222c22904d0ce039004fbf3ff [0,1,0,0,0,0|2,0,1]=4 1108 B12R0.248 CCSCCNC/C=C/C(=O)OC 9e71e3ebaa843de551bcadc067c42030 [0,1,0,0,0,0|1,0,2]=4 1109 B12R0.248 CCSCCNC/C=C\C(=O)OC 50ff63a797c8b7fc9e08e78171edf073 [0,1,0,0,0,0|1,0,2]=4 1110 B12R0.248 CCSCCNCC#CC(=O)OC c518e633d34a947a68e1ec9d582a65b2 [0,1,0,0,0,0|1,0,0]=2 1111 B12R0.248 CCSCCNCC=CC(=O)OC 5f1d2142d4f972f219f17267f77636a0 [0,1,0,0,0,0|1,0,2]=4 1112 B12R0.248 CCSCCNCCCC(=O)OC da0a8af8abd5757102123198388ea5e0 [0,1,0,0,0,0|1,0,2]=4 1113 B12R0.248 CCSCCOC/C=C/C(=O)OC 0e7114fa88118206fd3a1eb3754252f6 [0,1,0,0,0,0|1,0,2]=4 1114 B12R0.248 CCSCCOC/C=C\C(=O)OC 11f9f27e27f833c3e7e7fb541c99da85 [0,1,0,0,0,0|1,0,2]=4 1115 B12R0.248 CCSCCOCC#CC(=O)OC 257def38dd6f2947c46f4350cdf44bee [0,1,0,0,0,0|1,0,0]=2 1116 B12R0.248 CCSCCOCC=CC(=O)OC 28f99cba716e518ddae8474be337936e [0,1,0,0,0,0|1,0,2]=4 1117 B12R0.248 CCSCCOCCCC(=O)OC a5bb7550b2a8003826b24d020334fa09 [0,1,0,0,0,0|1,0,2]=4 1118 B12R0.248 CCSCCOCCOC(=O)OC 5d76ba52c4b2c8c620fd33f026f77fd5 [0,1,0,0,0,0|2,0,1]=4 1119 B12R0.248 CNC(=O)CNCCCCCCCl 9647823af72d830d44a4c95cc7d6e8d3 [0,1,0,0,0,0|2,0,1]=4 1120 B12R0.248 CNC(=O)CNCCCCCCF f87d042d11245780a79cff7397c1ba35 [0,1,0,0,0,0|2,0,1]=4 1121 B12R0.248 CNC(=O)CNCCCCCCO 6a0b89dbce36ea2cff5e649089e9a9de [0,1,0,0,0,0|2,0,1]=4 1122 B12R0.248 CNC(=O)CNCCCCCOC 74d7497b434f9165b9dcd6e150d095c3 [0,1,0,0,0,0|2,0,1]=4 1123 B12R0.248 CNC(=O)COCCCCCCF 5ebbe7523630d0e2804d91870f448d6a [0,1,0,0,0,0|2,0,1]=4 1124 B12R0.248 CNC(=O)COCCCCCCS e053a1c6682a4d3983ad09d0ec822199 [0,1,0,0,0,0|2,0,1]=4 1125 B12R0.248 CNC(=O)COCCCCCOC a3e60a80667f2fc926f03f1c2a5cd215 [0,1,0,0,0,0|2,0,1]=4 1126 B12R0.248 COC(=O)/C=C/CNCCCCCl a6a39415c82935aba756484f3aadd056 [0,1,0,0,0,0|1,0,2]=4 1127 B12R0.248 COC(=O)/C=C/CNCCCCO 777f346368144a6194b916c015dbe4b2 [0,1,0,0,0,0|1,0,2]=4 1128 B12R0.248 COC(=O)/C=C/CNCCCCS f19e4cf007ef2455d8351d2eaeefc2a0 [0,1,0,0,0,0|1,0,2]=4 1129 B12R0.248 COC(=O)/C=C/CNCCCSC 6841ceb32d0f2f545b6657a6a453b1f0 [0,1,0,0,0,0|1,0,2]=4 1130 B12R0.248 COC(=O)/C=C/COCCCCF 6e9bf6ce0496dd58725640e8ed23271b [0,1,0,0,0,0|1,0,2]=4 1131 B12R0.248 COC(=O)/C=C/COCCCCS c846ccc48c7b3e71ce56d2b455a96711 [0,1,0,0,0,0|1,0,2]=4 1132 B12R0.248 COC(=O)/C=C/COCCCSC 44cdc9047bcbcd0d617165ed697f86aa [0,1,0,0,0,0|1,0,2]=4 1133 B12R0.248 COC(=O)/C=C\CNCCCCCl fcceb998abc66b43bacde95bfdedab3a [0,1,0,0,0,0|1,0,2]=4 1134 B12R0.248 COC(=O)/C=C\CNCCCCO 9c8d2a52f853f3e894eb9ecf17721b8c [0,1,0,0,0,0|1,0,2]=4 1135 B12R0.248 COC(=O)/C=C\CNCCCCS 0db810e23d02c04d5a4fb257fdf0009f [0,1,0,0,0,0|1,0,2]=4 1136 B12R0.248 COC(=O)/C=C\CNCCCSC 744bbb9a05d8ecbe632ecad869afe2e7 [0,1,0,0,0,0|1,0,2]=4 1137 B12R0.248 COC(=O)/C=C\COCCCCF 736e6c2f75ebd0b6483cc8d23a076160 [0,1,0,0,0,0|1,0,2]=4 1138 B12R0.248 COC(=O)/C=C\COCCCCS 26ccf1a49da8a5661706d4b31a4de179 [0,1,0,0,0,0|1,0,2]=4 1139 B12R0.248 COC(=O)/C=C\COCCCSC 7fc17a2c76b2fe27a620a1e9dd5abf8f [0,1,0,0,0,0|1,0,2]=4 1140 B12R0.248 COC(=O)C#CCNCC#CCO c7a7098cdda0ade00b0551aeb39090e0 [0,1,0,0,0,0|1,0,2]=4 1141 B12R0.248 COC(=O)C#CCNCCCC#N dbf2f957a1c4c12824386d36ea41568f [0,1,0,0,0,0|1,0,1]=3 1142 B12R0.248 COC(=O)C#CCNCCCCCl ba0b1791e7e8eafcb7d50b48c9589871 [0,1,0,0,0,0|1,0,0]=2 1143 B12R0.248 COC(=O)C#CCNCCCCO 8ebda57cb625d729532501b00b1b8f95 [0,1,0,0,0,0|1,0,0]=2 1144 B12R0.248 COC(=O)C#CCNCCCCS 8f3b9cedb6911757cf3f3f89b997ea4e [0,1,0,0,0,0|1,0,0]=2 1145 B12R0.248 COC(=O)C#CCNCCCSC 1980194bcc05d4039557b4244437ad00 [0,1,0,0,0,0|1,0,0]=2 1146 B12R0.248 COC(=O)C#CCOCCCC#N 74c3f5d08e488272c3affa2cbef13ba5 [0,1,0,0,0,0|1,0,1]=3 1147 B12R0.248 COC(=O)C#CCOCCCC=O 9b7e4868e332f157400c475fbd450bbc [0,1,0,0,0,0|1,0,1]=3 1148 B12R0.248 COC(=O)C#CCOCCCCF 224db353e69fcb5d6787919f44df73bc [0,1,0,0,0,0|1,0,0]=2 1149 B12R0.248 COC(=O)C#CCOCCCCS e7cff5b19d3634917159fd5a2fcf48b1 [0,1,0,0,0,0|1,0,0]=2 1150 B12R0.248 COC(=O)C#CCOCCCSC 85d9905fef89a1c007140b540a56a02e [0,1,0,0,0,0|1,0,0]=2 1151 B12R0.248 COC(=O)C#CCOCCNC=O 3232f852c474a58a1638d8b4bb435320 [0,1,0,0,0,0|2,0,1]=4 1152 B12R0.248 COC(=O)C#CCOCCOC=O d08ee9c33b9f9e68cd51ba0eedfa4f67 [0,1,0,0,0,0|2,0,1]=4 1153 B12R0.248 COC(=O)C=CCNCCCCCl d6c7e9fb21c5749c40f23f4de4475ba5 [0,1,0,0,0,0|1,0,2]=4 1154 B12R0.248 COC(=O)C=CCNCCCCO fa232f8321deb792398d14efcab46545 [0,1,0,0,0,0|1,0,2]=4 1155 B12R0.248 COC(=O)C=CCNCCCCS 1516c608811b277fb104722a70b1ea59 [0,1,0,0,0,0|1,0,2]=4 1156 B12R0.248 COC(=O)C=CCNCCCSC b22793f2294bd31ca834a5697f422675 [0,1,0,0,0,0|1,0,2]=4 1157 B12R0.248 COC(=O)C=CCOCCCCF 095410b12e81bd58335237072fbe2b87 [0,1,0,0,0,0|1,0,2]=4 1158 B12R0.248 COC(=O)C=CCOCCCCS 548e206fd195bb4e61b21d01bbaea308 [0,1,0,0,0,0|1,0,2]=4 1159 B12R0.248 COC(=O)C=CCOCCCSC 8317689c8c244cf2afebe1b3e8e4c276 [0,1,0,0,0,0|1,0,2]=4 1160 B12R0.248 COC(=O)CCCCCCNCF 00d2a79417200a97151f178431883d3a [0,1,0,0,0,0|1,0,2]=4 1161 B12R0.248 COC(=O)CCCCCCNCO 3a6384b8beafa85876670cf2dd11e09f [0,1,0,0,0,0|1,0,2]=4 1162 B12R0.248 COC(=O)CCCCCCOCF 3c60f089e493255ba7349bb800b8ea93 [0,1,0,0,0,0|1,0,2]=4 1163 B12R0.248 COC(=O)CCCCCNCCBr eedf2cc64b954d2d1466dd96b2af1fa3 [0,1,0,0,0,0|1,0,2]=4 1164 B12R0.248 COC(=O)CCCCCNCCF e8065f118934ca3d5f63a601d3c3f41d [0,1,0,0,0,0|1,0,2]=4 1165 B12R0.248 COC(=O)CCCCCNCCI 32f2b0dda4ced89929de48404c3ee160 [0,1,0,0,0,0|1,0,2]=4 1166 B12R0.248 COC(=O)CCCCCNCCO 95607a8bf19c10d1da2194c02b8672e8 [0,1,0,0,0,0|1,0,2]=4 1167 B12R0.248 COC(=O)CCCCCNCCS 482d18f2f1eb4a29e7f89c6c45a82898 [0,1,0,0,0,0|1,0,2]=4 1168 B12R0.248 COC(=O)CCCCCNCSC 4cf48a1f15c73d7301c2eb1583c9b651 [0,1,0,0,0,0|1,0,2]=4 1169 B12R0.248 COC(=O)CCCCCOCCF 3d8c8a4b1ff9fd3224cdeada597e8997 [0,1,0,0,0,0|1,0,2]=4 1170 B12R0.248 COC(=O)CCCCCOCCS c18bfb54b9cdcd89336a3e4417d301aa [0,1,0,0,0,0|1,0,2]=4 1171 B12R0.248 COC(=O)CCCCCOCSC 8e51b9ba05c4e153c5ec26bd024ed72d [0,1,0,0,0,0|1,0,2]=4 1172 B12R0.248 COC(=O)CCCCNCCCCl eecef39fff13a3350d880ab78f34b54b [0,1,0,0,0,0|1,0,2]=4 1173 B12R0.248 COC(=O)CCCCNCCCF f3e54d05b7babf10e585cb34f1fc5f4a [0,1,0,0,0,0|1,0,2]=4 1174 B12R0.248 COC(=O)CCCCNCCCO 09bcdbbaf87da0ad6387baa404b26080 [0,1,0,0,0,0|1,0,2]=4 1175 B12R0.248 COC(=O)CCCCNCCCS 5fe215b01b14427476dfc2ae73f76151 [0,1,0,0,0,0|1,0,2]=4 1176 B12R0.248 COC(=O)CCCCNCCSC f7ca66bdc7addc4da4fb8f12551a0158 [0,1,0,0,0,0|1,0,2]=4 1177 B12R0.248 COC(=O)CCCCOCCCF bbbe3cc0c3dc93f8470810bc74196949 [0,1,0,0,0,0|1,0,2]=4 1178 B12R0.248 COC(=O)CCCCOCCCS 81ad584b317233b8031a8793c90a4cad [0,1,0,0,0,0|1,0,2]=4 1179 B12R0.248 COC(=O)CCCCOCCSC c2c3a617a451eebaa9be27d0f71bb036 [0,1,0,0,0,0|1,0,2]=4 1180 B12R0.248 COC(=O)CCCNCCCCCl b4e49dd92f6c9fb261ad4b7d5676fd3e [0,1,0,0,0,0|1,0,2]=4 1181 B12R0.248 COC(=O)CCCNCCCCF 900baabd275fc2443dc184cda218b3f6 [0,1,0,0,0,0|1,0,2]=4 1182 B12R0.248 COC(=O)CCCNCCCCO c16239952424f85aa7440b249a78aa61 [0,1,0,0,0,0|1,0,2]=4 1183 B12R0.248 COC(=O)CCCNCCCCS b7c9a1eb7f1e86669bc0c0673e17a6ba [0,1,0,0,0,0|1,0,2]=4 1184 B12R0.248 COC(=O)CCCNCCCSC aa00a290890ec941417e3b42911fa106 [0,1,0,0,0,0|1,0,2]=4 1185 B12R0.248 COC(=O)CCCOCCCCF 1482d8cba418161a2e077ca6d7bdef14 [0,1,0,0,0,0|1,0,2]=4 1186 B12R0.248 COC(=O)CCCOCCCCS 6ec1a1d31bb1dfde0174698676a3e7ea [0,1,0,0,0,0|1,0,2]=4 1187 B12R0.248 COC(=O)CCCOCCCSC 84566f51d5ea85990a2d008be9a7cfde [0,1,0,0,0,0|1,0,2]=4 1188 B12R0.248 COC(=O)CCNCCCCCCl 2d2b263209268ee0ab40654752b6919c [0,1,0,0,0,0|1,0,2]=4 1189 B12R0.248 COC(=O)CCNCCCCCF 54218cf3cdf27035401d237b8942e981 [0,1,0,0,0,0|1,0,2]=4 1190 B12R0.248 COC(=O)CCNCCCCCO ea77548d1de240df219d599031efc462 [0,1,0,0,0,0|1,0,2]=4 1191 B12R0.248 COC(=O)CCNCCCCSC 67431ef940305cfb1d0c861a2a4f528f [0,1,0,0,0,0|1,0,2]=4 1192 B12R0.248 COC(=O)CCOCCCCCF 2fab7cb8cb645f8d1406032c1830acc6 [0,1,0,0,0,0|1,0,2]=4 1193 B12R0.248 COC(=O)CCOCCCCSC b741a855b31b680f7773183e0f288ce6 [0,1,0,0,0,0|1,0,2]=4 1194 B12R0.248 COC(=O)CNCCCCCC#N 15db25763214679d735758f9a2deb78f [0,1,0,0,0,0|1,0,2]=4 1195 B12R0.248 COC(=O)CNCCCCCC=O 99d78b1bac8e329f4e356cd35c4d98ef [0,1,0,0,0,0|1,0,2]=4 1196 B12R0.248 COC(=O)CNCCCCCCCl 54b174000cb63b2463201d8f9afdfacd [0,1,0,0,0,0|1,0,1]=3 1197 B12R0.248 COC(=O)CNCCCCCCF 180b41c7f6ce638a27bfd2b4c79b9453 [0,1,0,0,0,0|1,0,1]=3 1198 B12R0.248 COC(=O)CNCCCCCCO 49b692ade1eeca8f05072a884c89d69a [0,1,0,0,0,0|1,0,1]=3 1199 B12R0.248 COC(=O)CNCCCOCCO 66ee2308e0c60d28ec0c0ea919592937 [0,1,0,0,0,0|2,0,1]=4 1200 B12R0.248 COC(=O)CNCCOCCCO db0556fcf0392e4686032c5083df9e1b [0,1,0,0,0,0|2,0,1]=4 1201 B12R0.248 COC(=O)COCCCCCC#N 067d4516f2a7e33ef93c0d683d8d40c3 [0,1,0,0,0,0|1,0,2]=4 1202 B12R0.248 COC(=O)COCCCCCC=O 0b73658532f402148e598a2da216a981 [0,1,0,0,0,0|1,0,2]=4 1203 B12R0.248 COC(=O)COCCCCCCF 066e9acd3a0b96c9aced613b927951aa [0,1,0,0,0,0|1,0,1]=3 1204 B12R0.248 COC(=O)COCCCCCCS da5f0f31cf63aad95cc2934b78a72251 [0,1,0,0,0,0|1,0,1]=3 1205 B12R0.248 COC(=O)COCCCNCCBr 74b026f11ca5bcf8027daf627244ee77 [0,1,0,0,0,0|2,0,1]=4 1206 B12R0.248 COC(=O)COCCCNCCF 79839bf8968b115b8613134db0218aff [0,1,0,0,0,0|2,0,1]=4 1207 B12R0.248 COC(=O)COCCCNCCI 59cf95a3c0a97e467b5f23b42fc2976d [0,1,0,0,0,0|2,0,1]=4 1208 B12R0.248 COC(=O)COCCCNCCO 3746d71692c389cc079905a46ea225af [0,1,0,0,0,0|2,0,1]=4 1209 B12R0.248 COC(=O)COCCCNCCS 585c8a1fb6b149366cb61f2e5baff754 [0,1,0,0,0,0|2,0,1]=4 1210 B12R0.248 COC(=O)COCCCOCCF b372354b9988d28463f3a93fc037dc9f [0,1,0,0,0,0|2,0,1]=4 1211 B12R0.248 COC(=O)COCCCOCCS 5a87d0c1c04aace988b1019caea14406 [0,1,0,0,0,0|2,0,1]=4 1212 B12R0.248 COC(=O)COCCCOCSC b24b607aa467d1d61d1215de220a7f29 [0,1,0,0,0,0|2,0,1]=4 1213 B12R0.248 COC(=O)COCCNCCCCl 27086fd7c095a512bab199b0555b7e10 [0,1,0,0,0,0|2,0,1]=4 1214 B12R0.248 COC(=O)COCCNCCCO 1696aa07caf37a24bd0d6c039bbf25ca [0,1,0,0,0,0|2,0,1]=4 1215 B12R0.248 COC(=O)COCCNCCSC 4880028d6cd4ef487a9b7158e48f58e8 [0,1,0,0,0,0|2,0,1]=4 1216 B12R0.248 COC(=O)COCCOCCCF 2bfa3653bf6ebe2beb0a21c5c7d759d0 [0,1,0,0,0,0|2,0,1]=4 1217 B12R0.248 COC(=O)COCCOCCCS d3cc8d471d9dedcff30dc9699e9d4208 [0,1,0,0,0,0|2,0,1]=4 1218 B12R0.248 COC(=O)COCCOCCSC 8af4a6ba635a81bf3d2c9dd33317ce24 [0,1,0,0,0,0|2,0,1]=4 1219 B12R0.248 COC(=O)CSCCCNCCBr 2208899ad1d6a977286601e05cddbf27 [0,1,0,0,0,0|2,0,1]=4 1220 B12R0.248 COC(=O)CSCCCNCCF 94ad12eae92bd4d0f19e97d43a5e514a [0,1,0,0,0,0|2,0,1]=4 1221 B12R0.248 COC(=O)CSCCCNCCI b8b88effd8c4a2c832a6cd3d28110384 [0,1,0,0,0,0|2,0,1]=4 1222 B12R0.248 COC(=O)CSCCCNCCO f2453ca39f68ab15d6c21ba6677529b4 [0,1,0,0,0,0|2,0,1]=4 1223 B12R0.248 COC(=O)CSCCCNCCS b80b56c928758982a57f97596325dd8a [0,1,0,0,0,0|2,0,1]=4 1224 B12R0.248 COC(=O)CSCCCOCCS 722e76e7e5d4eb036af519ea081c6792 [0,1,0,0,0,0|2,0,1]=4 1225 B12R0.248 COC(=O)OCCOCCCCF 0a8671c929694202c1b5ae117ccd7446 [0,1,0,0,0,0|2,0,1]=4 1226 B12R0.248 COC(=O)OCCOCCCSC 544fa4c9695da77d9a33de0093e517c8 [0,1,0,0,0,0|2,0,1]=4 1227 B12R0.248 COC(=O)OCNCCCCCCl 5778c5e061cb78225ed18c6db346766f [0,1,0,0,0,0|2,0,1]=4 1228 B12R0.248 COC(=O)OCNCCCCCO 0cccbfe1acba1b27a4a58f97c453d194 [0,1,0,0,0,0|2,0,1]=4 1229 B12R0.248 COC(=O)OCNCCCCSC b5dad4a904bed85f7bcfbda4e5eeec11 [0,1,0,0,0,0|2,0,1]=4 1230 B12R0.248 COC(=O)OCOCCCCSC df2e05f4370ce6d67927ec63c8290f60 [0,1,0,0,0,0|2,0,1]=4 1231 B12R0.248 COCCCCCNCC(=O)OC d10691bd31d2d0bf1e503578b1c20d28 [0,1,0,0,0,0|1,0,1]=3 1232 B12R0.248 COCCCCCOCC(=O)OC 04445405aa556fee946a295a872f3156 [0,1,0,0,0,0|1,0,1]=3 1233 B12R0.248 COCCCCNCCC(=O)OC 866fe67d24453c9c77ba339b24c6f817 [0,1,0,0,0,0|1,0,2]=4 1234 B12R0.248 COCCCCNCOC(=O)OC 65db9bce6f6f1fa0da82eec424325d77 [0,1,0,0,0,0|2,0,1]=4 1235 B12R0.248 COCCCCOCCC(=O)OC 6178a26edf97ddd6d174b7671988efc2 [0,1,0,0,0,0|1,0,2]=4 1236 B12R0.248 COCCCCOCOC(=O)OC 299a375a768c97adbdcbc78bf5ff5051 [0,1,0,0,0,0|2,0,1]=4 1237 B12R0.248 COCCCNC/C=C/C(=O)OC 380ea47687bffbbf65ce57db3ffe6873 [0,1,0,0,0,0|1,0,2]=4 1238 B12R0.248 COCCCNC/C=C\C(=O)OC 4377182aad58aaee258a9e1a1d00d4fa [0,1,0,0,0,0|1,0,2]=4 1239 B12R0.248 COCCCNCC#CC(=O)OC 0a4be7c701d1c646e45a530f90acd183 [0,1,0,0,0,0|1,0,0]=2 1240 B12R0.248 COCCCNCC=CC(=O)OC e7c81130fa520c23f225933e4ca77353 [0,1,0,0,0,0|1,0,2]=4 1241 B12R0.248 COCCCNCCCC(=O)OC 8542198eec6606ee078f036e6843754f [0,1,0,0,0,0|1,0,2]=4 1242 B12R0.248 COCCCOC/C=C/C(=O)OC 773c6738a4a15b0c69d4006e8e219d97 [0,1,0,0,0,0|1,0,2]=4 1243 B12R0.248 COCCCOC/C=C\C(=O)OC 8fb2e2b268b0409419d2676c04546ecc [0,1,0,0,0,0|1,0,2]=4 1244 B12R0.248 COCCCOCC#CC(=O)OC f485bc350dc08d3dba4bee5dcf6f89ff [0,1,0,0,0,0|1,0,0]=2 1245 B12R0.248 COCCCOCC=CC(=O)OC 43a44795d04caa16e89c00b1840b8756 [0,1,0,0,0,0|1,0,2]=4 1246 B12R0.248 COCCCOCCCC(=O)OC f2bad4807d9478dd3c2bac6ff9bf8583 [0,1,0,0,0,0|1,0,2]=4 1247 B12R0.248 COCCCOCCOC(=O)OC f486885c19e3ee0b6a0021d20b2b20d5 [0,1,0,0,0,0|2,0,1]=4 1248 B12R0.248 COCCNCCCCC(=O)OC bcc8b4b6498a23c39c6f80eb7f18507a [0,1,0,0,0,0|1,0,2]=4 1249 B12R0.248 COCCNCCOCC(=O)OC cfbd6d06e0ff3b871e587c86847150c1 [0,1,0,0,0,0|2,0,1]=4 1250 B12R0.248 COCCOCCCCC(=O)OC f3189c3c74aa0f1aaee5c15977b5fb2f [0,1,0,0,0,0|1,0,2]=4 1251 B12R0.248 COCCOCCNCC(=O)OC fa9a2dfc713b9c3afca54934449f4f59 [0,1,0,0,0,0|2,0,1]=4 1252 B12R0.248 COCCOCCOCC(=O)OC d0fe862950539297d446e2086c4a0beb [0,1,0,0,0,0|2,0,1]=4 1253 B12R0.248 COCNCCCCCC(=O)OC 8ad3a9d9c1353c228b1066481f3d2302 [0,1,0,0,0,0|1,0,2]=4 1254 B12R0.248 COCOCCCCCC(=O)OC 19a354151b1498e2c1fa9948463fb1f6 [0,1,0,0,0,0|1,0,2]=4 1255 B12R0.248 COCOCCCOCC(=O)OC 85a04fd2d4665f2d5152fa2fec90bfd8 [0,1,0,0,0,0|2,0,1]=4 1256 B12R0.248 COCOCCCSCC(=O)OC 220a743f90dee7c613c8afe0309f7410 [0,1,0,0,0,0|2,0,1]=4 1257 B12R0.251 C=C(C)C(=O)NCCCCCCC e6722bf9a2a91c9b8dafbc0e48f2ce95 [0,1,0,0,0,0|2,0,1]=4 1258 B12R0.251 CCCCCCCNC(=O)C(=O)C 2fc684b914636e7abc7cad1f2627b1b9 [0,1,0,0,0,0|2,0,1]=4 1259 B12R0.251 CCCCCCCNC(=O)C(C)F 57a519b04a5e09b346474d9901a0a13a [0,1,0,0,0,0|2,0,1]=4 1260 B12R0.251 CCCCCCCNC(=O)C(C)O d1e7cf65f0c85036bb4ceff5266af976 [0,1,0,0,0,0|2,0,1]=4 1261 B12R0.251 CCCCCCCNC(=O)C(C)S 21ef221c9222809f89cabe342c7f61ec [0,1,0,0,0,0|2,0,1]=4 1262 B12R0.251 CCCCCCCNC(=O)[C@@H](C)F fe184b2df527f454614f88b19faae6e9 [0,1,0,0,0,0|2,0,1]=4 1263 B12R0.251 CCCCCCCNC(=O)[C@@H](C)O 1726a45d18305ca5241e027bbc53a146 [0,1,0,0,0,0|2,0,1]=4 1264 B12R0.251 CCCCCCCNC(=O)[C@H](C)F 9032b192eba6fe0c7a2ff79ce7a378e0 [0,1,0,0,0,0|2,0,1]=4 1265 B12R0.251 CCCCCCCNC(=O)[C@H](C)O 5f75904c211c95844ff40e06201a21df [0,1,0,0,0,0|2,0,1]=4 1266 B12R0.251 CCCCCCNCC(=O)C(=O)C 4a1ce11368fb9be2829343b5e0273ade [0,1,0,0,0,0|2,0,1]=4 1267 B12R0.251 CCCCCCNCC(=O)C(C)C 9520cdb569f32e1eff04ef5e1cbcad32 [0,1,0,0,0,0|2,0,1]=4 1268 B12R0.251 CCCCCCNCC(=O)N(C)C 798175d0bb98fb23bde4ca34afaaa46f [0,1,0,0,0,0|2,0,1]=4 1269 B12R0.251 CCCCCCOCC(=O)C(=O)C e5d1741b57ed7606a27ceb2b1c0f6bfd [0,1,0,0,0,0|2,0,1]=4 1270 B12R0.251 CCCCCCOCC(=O)C(C)C 97073a309b33a8ba572416aeaf543c56 [0,1,0,0,0,0|2,0,1]=4 1271 B12R0.251 CCCCCCOCC(=O)N(C)C d7c606f5cee1e5d56f70b96909a5e166 [0,1,0,0,0,0|2,0,1]=4 1272 B12R0.276 C#CCC(C)OCC#CC(=O)OC a1d3dc4eb7e2843f95dfc2d3e8ed85a1 [0,1,0,0,0,0|1,0,2]=4 1273 B12R0.276 C/C=C/C(C)OCC#CC(=O)OC 34aae0df6a5789422c41e65ca92adf12 [0,1,0,0,0,0|1,0,2]=4 1274 B12R0.276 C=C(COCCC(C)CCC)OC 9e9a4546b122e9906b7dbf89f38b5021 [0,1,0,0,0,0|2,0,1]=4 1275 B12R0.276 C=C(COCCC(S)CCC)OC 3ec1b4c042e88003d1a7f993afb9c26e [0,1,0,0,0,0|2,0,1]=4 1276 B12R0.276 C=CCC(C)OCC#CC(=O)OC cf3566287cf7dab384ffe796d93526ab [0,1,0,0,0,0|1,0,2]=4 1277 B12R0.276 C=CC[C@@H](C)OCC#CC(=O)OC 7f387407ff27e4dfa11ec796aed9f2f9 [0,1,0,0,0,0|1,0,2]=4 1278 B12R0.276 C=CC[C@H](C)OCC#CC(=O)OC 546cba3b8eb07231c1571a8208542294 [0,1,0,0,0,0|1,0,2]=4 1279 B12R0.276 CC#CC(C)OCC#CC(=O)OC 0b5f42254062146714be0cd36dcd6d7c [0,1,0,0,0,0|1,0,2]=4 1280 B12R0.276 CC=CC(C)OCC#CC(=O)OC cf5cf3248aadd8ee3f1f91ac018b0b95 [0,1,0,0,0,0|1,0,2]=4 1281 B12R0.276 CCCC(=S)OCC#CC(=O)OC 1afe088f3939fec8289ff2e802ca5163 [0,1,0,0,0,0|1,0,1]=3 1282 B12R0.276 CCCC(C)CCOCC(=O)CC 3a39cd3b5c341b53a0830bd18ef9975f [0,1,0,0,0,0|2,0,1]=4 1283 B12R0.276 CCCC(C)CCOCC(=O)NC 6b93834b97baba22b6125b0aafc4e7c7 [0,1,0,0,0,0|2,0,1]=4 1284 B12R0.276 CCCC(C)CCOCC(=O)OC 3fa6e1c0690926391a688258701cb762 [0,1,0,0,0,0|1,0,1]=3 1285 B12R0.276 CCCC(C)CNCCC(=O)OC 5f24d1d7bcc3289cf765de13760cf6ab [0,1,0,0,0,0|1,0,2]=4 1286 B12R0.276 CCCC(C)COCCC(=O)OC 969c10174f1eb4784f7f1324cc6391a8 [0,1,0,0,0,0|1,0,2]=4 1287 B12R0.276 CCCC(C)COCOC(=O)OC 2a8f385889a8d963cffb80994c3bf1bf [0,1,0,0,0,0|2,0,1]=4 1288 B12R0.276 CCCC(C)NC/C=C/C(=O)OC f8d2212b6794ba9d8d5e0ace031b8867 [0,1,0,0,0,0|1,0,2]=4 1289 B12R0.276 CCCC(C)NC/C=C\C(=O)OC fa93d62cfb21b009a138dda8c7179c6d [0,1,0,0,0,0|1,0,2]=4 1290 B12R0.276 CCCC(C)NCC#CC(=O)OC 2e2cfbdfc8216e1caed624c30cf064a9 [0,1,0,0,0,0|1,0,0]=2 1291 B12R0.276 CCCC(C)NCC=CC(=O)OC fe1bb0fdb629d3b9316147f1582ea246 [0,1,0,0,0,0|1,0,2]=4 1292 B12R0.276 CCCC(C)NCCCC(=O)OC 929e513bb617f3c7d6a9a8e2fc08f84f [0,1,0,0,0,0|1,0,2]=4 1293 B12R0.276 CCCC(C)OC/C=C/C(=O)OC 3f478d436d66670ea259de210d1165ed [0,1,0,0,0,0|1,0,2]=4 1294 B12R0.276 CCCC(C)OC/C=C\C(=O)OC e5cfe7f396ec9aca299d741de822796d [0,1,0,0,0,0|1,0,2]=4 1295 B12R0.276 CCCC(C)OCC#CC(=O)OC ddfe3bca8bac5c779f71915419ffaede [0,1,0,0,0,0|1,0,0]=2 1296 B12R0.276 CCCC(C)OCC=CC(=O)OC 568605b195591fb785a93257750994a1 [0,1,0,0,0,0|1,0,2]=4 1297 B12R0.276 CCCC(C)OCCCC(=O)OC db75a2a356fe5ef9f9f8efb9e91a9ca4 [0,1,0,0,0,0|1,0,2]=4 1298 B12R0.276 CCCC(C)OCCOC(=O)OC fc4c8856ad46ac527f770560eab0ba55 [0,1,0,0,0,0|2,0,1]=4 1299 B12R0.276 CCCC(O)CNCCC(=O)OC 0f78f74429b497ff7e6fbd7b428b6a6c [0,1,0,0,0,0|1,0,2]=4 1300 B12R0.276 CCCC(O)CNCOC(=O)OC 6e0f926bf9771a945aca6cd12baab6f6 [0,1,0,0,0,0|2,0,1]=4 1301 B12R0.276 CCCC(S)CCOCC(=O)CC 2a617f6e52c72ce24a56c06745ab4567 [0,1,0,0,0,0|2,0,1]=4 1302 B12R0.276 CCCC(S)CCOCC(=O)NC d8419df152f6ef918a532f7bff4b2976 [0,1,0,0,0,0|2,0,1]=4 1303 B12R0.276 CCCC(S)CCOCC(=O)OC 377938372e85bab9cb8b68a43b40cf32 [0,1,0,0,0,0|1,0,1]=3 1304 B12R0.276 CCCN(C)CCCCC(=O)OC 4ec487776341106fe31bf98944784fcc [0,1,0,0,0,0|1,0,2]=4 1305 B12R0.276 CCCN(C)CCOCC(=O)OC c915d2a1feafd5547bca9e797ed873c3 [0,1,0,0,0,0|2,0,1]=4 1306 B12R0.276 CCC[C@@H](C)OC/C=C/C(=O)OC acaf93463e10376ffb2ac321369f37e0 [0,1,0,0,0,0|1,0,2]=4 1307 B12R0.276 CCC[C@@H](C)OC/C=C\C(=O)OC 41c9b72f64914bc6a261daf2efd5c899 [0,1,0,0,0,0|1,0,2]=4 1308 B12R0.276 CCC[C@@H](C)OCC#CC(=O)OC 0c02260ee6d73613e11cb80011538836 [0,1,0,0,0,0|1,0,0]=2 1309 B12R0.276 CCC[C@@H](C)OCC=CC(=O)OC 9c07183761bb814c6e52417f4ce08946 [0,1,0,0,0,0|1,0,2]=4 1310 B12R0.276 CCC[C@@H](C)OCCCC(=O)OC cc68085ebf43856d9e1ce0d5de184007 [0,1,0,0,0,0|1,0,2]=4 1311 B12R0.276 CCC[C@H](C)NC/C=C/C(=O)OC 9c5dc43621b3e1fee97534207719d2bc [0,1,0,0,0,0|1,0,2]=4 1312 B12R0.276 CCC[C@H](C)NC/C=C\C(=O)OC 5cb1cdae74e382e3bb55e37ba4d56f41 [0,1,0,0,0,0|1,0,2]=4 1313 B12R0.276 CCC[C@H](C)NCC#CC(=O)OC 596852107bab79f5ddef5b90fc31cd20 [0,1,0,0,0,0|1,0,0]=2 1314 B12R0.276 CCC[C@H](C)NCC=CC(=O)OC 718ffa608e2e719dab0e08346994fe5c [0,1,0,0,0,0|1,0,2]=4 1315 B12R0.276 CCC[C@H](C)NCCCC(=O)OC b8e6c9f4e3a0098b854d2a907e64d055 [0,1,0,0,0,0|1,0,2]=4 1316 B12R0.276 CCC[C@H](C)OC/C=C/C(=O)OC c62ffe039d8555ca814759b4288eed92 [0,1,0,0,0,0|1,0,2]=4 1317 B12R0.276 CCC[C@H](C)OC/C=C\C(=O)OC 8a1f14e7af9ab510d21d0393edb4bb7b [0,1,0,0,0,0|1,0,2]=4 1318 B12R0.276 CCC[C@H](C)OCC#CC(=O)OC 90a3666a4c54b944294cf02cf546479f [0,1,0,0,0,0|1,0,0]=2 1319 B12R0.276 CCC[C@H](C)OCC=CC(=O)OC 5a1b23412311a6b737ebda2eab7ddd8d [0,1,0,0,0,0|1,0,2]=4 1320 B12R0.276 CCC[C@H](C)OCCCC(=O)OC 307bb2cf23f9bed8e8e443c088e9f724 [0,1,0,0,0,0|1,0,2]=4 1321 B12R0.276 COC(=O)C#CCNC(C)CC#N d5702dac7e73d95111ded2f77e21572b [0,1,0,0,0,0|2,0,1]=4 1322 B12R0.276 COC(=O)C#CCNC(C)CCO 5e9272b1f3b9d98dbf0c2a6e5fd03d43 [0,1,0,0,0,0|2,0,0]=3 1323 B12R0.276 COC(=O)C#CCN[C@@H](C)CCO a62d449cf7e27ad061cdc4ce74dd64fd [0,1,0,0,0,0|2,0,0]=3 1324 B12R0.276 COC(=O)C#CCN[C@H](C)CCO 88770bd1109aea06504bef77f56f342d [0,1,0,0,0,0|2,0,0]=3 1325 B12R0.276 COC(=O)C#CCOC(C)CC#N 7ad0e1b92fe82531c71845d7d72c8209 [0,1,0,0,0,0|2,0,1]=4 1326 B12R0.276 COC(=O)C#CCOC(C)CSC 16844aa4965f9057a2f08ba70c113900 [0,1,0,0,0,0|2,0,0]=3 1327 B12R0.276 COC(=O)C#CCO[C@@H](C)CC#N a500ddce5c1b62c80f1ee5670b60cf07 [0,1,0,0,0,0|2,0,1]=4 1328 B12R0.276 COC(=O)C#CCO[C@H](C)CC#N b2a4fadd25c63d79c8264cb2fa0f8e0f [0,1,0,0,0,0|2,0,1]=4 1329 B12R0.276 COCC(C)NCC#CC(=O)OC dabf552f7c41c18e1ff0077427bb77d5 [0,1,0,0,0,0|2,0,0]=3 1330 B12R0.276 COCC(C)OCC#CC(=O)OC 804333e42e544700302ee1773d4b6fb3 [0,1,0,0,0,0|2,0,0]=3 1331 B12R0.276 COC[C@@H](C)NCC#CC(=O)OC c59866b04688a83c8f76c9a0e8e512e2 [0,1,0,0,0,0|2,0,0]=3 1332 B12R0.276 COC[C@@H](C)OCC#CC(=O)OC dad46066f46878c6094cbfe1a26bc29b [0,1,0,0,0,0|2,0,0]=3 1333 B12R0.276 COC[C@H](C)NCC#CC(=O)OC 7c915aaa56fb0de0b4ffa806c4cecc8b [0,1,0,0,0,0|2,0,0]=3 1334 B12R0.276 COC[C@H](C)OCC#CC(=O)OC b5b10888493a0a6305a4ef41037f1953 [0,1,0,0,0,0|2,0,0]=3 1335 B12R1.1 CCCCOC1CCC(=O)OC1 2bcc9a659200bfad2ada20ece3c82254 [0,0,0,1,0,0|1,0,2]=4 1336 B12R1.7 CCCCCCN1CNC(=O)C1 541a01a8e49a04f89e4020d92f061884 [0,0,0,1,0,0|2,0,1]=4 1337 B12R1.7 CCCCCOC1=CC(=O)OC1 5e81427e32a646867418a4763d348784 [0,0,0,1,0,0|1,0,2]=4 1338 B12R1.7 CCCCCOC1COC(=O)C1 418ea627e4ea48a93b6eee1811a01b00 [0,0,0,1,0,0|1,0,2]=4 1339 B12R1.7 CCCCCO[C@@H]1COC(=O)C1 fdbfda67f659e709976656835e7c930b [0,0,0,1,0,0|1,0,2]=4 1340 B12R1.7 CCCCCO[C@H]1COC(=O)C1 1cf5f8f25c3f0853024d7dd13bfc4c3c [0,0,0,1,0,0|1,0,2]=4 1341 B12R1.7 CCCCNCC1=CC(=O)OC1 b583e4c3c72b28981149e8999d337d85 [0,0,0,1,0,0|1,0,2]=4 1342 B12R1.7 CCCCOCC1=CC(=O)OC1 12db081900046f7742c01970c96c71e9 [0,0,0,1,0,0|1,0,2]=4 1343 B12R1.7 CCCCOCC1COC(=O)C1 e8b9fbace0fdc615e8b94cb0728c24c6 [0,0,0,1,0,0|1,0,2]=4 1344 B12R1.27 C=C(COC1CCCCC1)OC 5b94496ea4c1c2cabdd1d2d0480661d2 [0,0,0,1,0,0|2,0,1]=4 1345 B12R1.27 CCC(=O)COC1CCCCC1 b08dae3654feebf4586bf4d8e9316d63 [0,0,0,1,0,0|2,0,1]=4 1346 B12R1.27 CCC(=O)NCC1CCCCC1 35e0fbdc611a9ce372d9ee9dc56fc820 [0,0,0,1,0,0|2,0,1]=4 1347 B12R1.27 CNC(=O)CNC1CCCCC1 380278a759fc11fc69c0b511fcbd84f7 [0,0,0,1,0,0|2,0,1]=4 1348 B12R1.27 CNC(=O)COC1CCCCC1 7dcbfcf91dc74c1477f6c4fccdba59b9 [0,0,0,1,0,0|2,0,1]=4 1349 B12R1.27 COC(=O)CNC1CCCCC1 4b70bca722d01b1da9df11b4ddcc9d3e [0,0,0,1,0,0|1,0,1]=3 1350 B12R1.27 COC(=O)CNC1CCCOC1 7747717f03d47b34aad74eb6f070aca0 [0,0,0,1,0,0|2,0,1]=4 1351 B12R1.27 COC(=O)CNC1CCOCC1 18be4fb20ccfc893f06901a21ea84661 [0,0,0,1,0,0|2,0,1]=4 1352 B12R1.27 COC(=O)CNC1CCSCC1 40bf7f98b89dd2d7671ab7558b70d683 [0,0,0,1,0,0|2,0,1]=4 1353 B12R1.27 COC(=O)CN[C@@H]1CCCOC1 f76ce2969a24a9ec2c2b3bf3b944d400 [0,0,0,1,0,0|2,0,1]=4 1354 B12R1.27 COC(=O)CN[C@H]1CCCOC1 ed6ea967e94c1cb63d5c4647b86d06d5 [0,0,0,1,0,0|2,0,1]=4 1355 B12R1.27 COC(=O)COC1CCCCC1 4bc78e624842236f620d5589ae24dfd7 [0,0,0,1,0,0|1,0,1]=3 1356 B12R1.27 COC(=O)COC1CCCCO1 dcb8fcbe121eabf4fab691572eae8e5e [0,0,0,1,0,0|2,0,1]=4 1357 B12R1.27 COC(=O)COC1CCCOC1 a3ca0e49ee1ca962719e623df7604c67 [0,0,0,1,0,0|2,0,1]=4 1358 B12R1.27 COC(=O)COC1CCCSC1 b009cb5de29212835b49a53b850dc769 [0,0,0,1,0,0|2,0,1]=4 1359 B12R1.27 COC(=O)COC1CCOCC1 8cba5ca03f118c7a7336a1f03839fa43 [0,0,0,1,0,0|2,0,1]=4 1360 B12R1.27 COC(=O)COC1CCSCC1 6ec467cfe4b8781c1bbe1be5592d4a43 [0,0,0,1,0,0|2,0,1]=4 1361 B12R1.27 COC(=O)CO[C@@H]1CCCOC1 3a29aa3ae815c37b90b42570ab26ae8f [0,0,0,1,0,0|2,0,1]=4 1362 B12R1.27 COC(=O)CO[C@H]1CCCOC1 2e3fbbdc152b5fcd91e26d4238f4937f [0,0,0,1,0,0|2,0,1]=4 1363 B12R1.77 CCC(=O)N1CCCCC1CC 8e233281dc557a2cc869d1b27acfd9a7 [0,0,0,1,0,0|2,0,1]=4 1364 B12R1.77 CCC(=O)N1CCCC[C@@H]1CC 259d6a2b81532ec73a88626b3dd0ab3a [0,0,0,1,0,0|2,0,1]=4 1365 B12R1.77 CCC(=O)N1CCCC[C@H]1CC 8422360ee3c5d6a0cc7b885acbd365e3 [0,0,0,1,0,0|2,0,1]=4 1366 B12R1.77 CCN1CCCCC1C(=O)OC 0542e68197df75d1e107e75a5466c997 [0,0,0,1,0,0|1,0,2]=4 1367 B12R1.77 CCN1CCCC[C@@H]1C(=O)OC 3af1388060cfd04a6ddc2c85696ae8c7 [0,0,0,1,0,0|1,0,2]=4 1368 B12R1.77 CCN1CCCC[C@H]1C(=O)OC e8ee2ce70ed95d27ef1662d4ea9138d5 [0,0,0,1,0,0|1,0,2]=4 1369 B12R1.82 C=C(CN1CCCC1CC)OC 787c1ab2ec7684db8ffe3392f3174492 [0,0,0,1,0,0|2,0,1]=4 1370 B12R1.82 C=C(CN1CCC[C@H]1CC)OC e9454263ad5647be32ec5ebc4252623d [0,0,0,1,0,0|2,0,1]=4 1371 B12R1.82 CCC(=O)CN1CCCC1CC bc5f41dacf6d2a7c73db1836d4689ecd [0,0,0,1,0,0|2,0,1]=4 1372 B12R1.82 CCC(=O)CN1CCC[C@H]1CC 9dd22e7a9e17bccf5ff94204d66a6a8a [0,0,0,1,0,0|2,0,1]=4 1373 B12R1.82 CCC(=O)N[C@@H]1CCC[C@H]1CC 70c8edb51eea07e360ddc6491b588371 [0,0,0,1,0,0|2,0,1]=4 1374 B12R1.82 CCC1CCCN1CC(=O)NC 3d65b264e0e49452174865530e9e0918 [0,0,0,1,0,0|2,0,1]=4 1375 B12R1.82 CCC1CCCN1CC(=O)OC 46005500e8fbdc1f770a3d5be08baa76 [0,0,0,1,0,0|1,0,1]=3 1376 B12R1.82 CC[C@@H]1CCCN1CC(=O)NC 9c17b5ed2ccaccc42572554345ca1e0b [0,0,0,1,0,0|2,0,1]=4 1377 B12R1.82 CC[C@@H]1CCCN1CC(=O)OC 83c6d1e9a3928dacb360299b30385d93 [0,0,0,1,0,0|1,0,1]=3 1378 B12R1.82 COC(=O)CN1CCCC1CO a062015439c39465d6a1406eac91f18c [0,0,0,1,0,0|2,0,1]=4 1379 B12R1.82 COC(=O)CN1CCCC1OC 3b067b6681f308fd458f6fc992c57b42 [0,0,0,1,0,0|2,0,1]=4 1380 B12R1.82 COC(=O)CN1CCC[C@@H]1CF a70f38486125e13c807fbbd707fd3d83 [0,0,0,1,0,0|2,0,1]=4 1381 B12R1.82 COC(=O)CN1CCC[C@@H]1CO ad61356d7c1ea60107d6d6935060164a [0,0,0,1,0,0|2,0,1]=4 1382 B12R1.82 COC(=O)CN1CCC[C@H]1CF 048733d3fbaa507c2bd462b05ab3e1c7 [0,0,0,1,0,0|2,0,1]=4 1383 B12R1.82 COC(=O)CN1CCC[C@H]1CO ea2b49927a31ac181848b7b405560f16 [0,0,0,1,0,0|2,0,1]=4 1384 B12R1.157 COC[C@@H]1C[C@@H]1NCC(=O)OC b0543de1c70573b8f46a4dcc4096132b [0,0,0,1,0,0|2,0,1]=4 1385 B12R1.157 COC[C@H]1C[C@@H]1NCC(=O)OC cd31a5bc2f9ae56caf60f7dfa0e36c2b [0,0,0,1,0,0|2,0,1]=4 1386 B12R1.163 COC(=O)CN1CCC1CCO 2fedeb6d3e89d46ca4d985fc527dce4b [0,0,0,1,0,0|2,0,1]=4 1387 B12R1.163 COCC1CCN1CC(=O)OC 1a8cd7f65777c1c43402b08b41cd4ce3 [0,0,0,1,0,0|2,0,1]=4 1388 B12R1.163 COC[C@@H]1CCN1CC(=O)OC 1c9374f891fa7dd3defd24d66cd5c5c1 [0,0,0,1,0,0|2,0,1]=4 1389 B12R1.163 COC[C@H]1CCN1CC(=O)OC c2be031faf99f85284a67f29c1058c1d [0,0,0,1,0,0|2,0,1]=4 1390 B12R1.291 CCCN1CCCC1C(=O)OC cf9b9ada7d3b6f3d8ed238e1ddf6a275 [0,0,0,1,0,0|1,0,2]=4 1391 B12R1.291 CCCN1CCC[C@H]1C(=O)OC c24415b97be2e79126f611ece7a1fb68 [0,0,0,1,0,0|1,0,2]=4 1392 B12R1.291 CCOC1CCCC1C(=O)OC 764d1e8c9be6cabc4c6441caf0bfa67e [0,0,0,1,0,0|1,0,2]=4 1393 B12R1.291 CCO[C@@H]1CCC[C@@H]1C(=O)OC 965f2a3d3b9a0dca1bc13bd6012de9ed [0,0,0,1,0,0|1,0,2]=4 1394 B12R1.291 CCO[C@H]1CCC[C@H]1C(=O)OC 9f5c126daca174afbb24b44113e25f6a [0,0,0,1,0,0|1,0,2]=4 1395 B12R1.327 CCCCN1CC[C@@H]1C(=O)OC 11e770304e2f4b8a38b9784ca4df778f [0,0,0,1,0,0|1,0,2]=4 1396 B12R1.327 CCOCC1CCC1C(=O)OC 451914b280a13836d6c068c275520916 [0,0,0,1,0,0|1,0,2]=4 1397 B12R1.353 C=C(COC1CCCC1C)OC 30217eb052fc416fe679af56a27c3cbd [0,0,0,1,0,0|2,0,1]=4 1398 B12R1.353 C=C(CO[C@@H]1CCC[C@@H]1C)OC 1f4c346555a66281d6c2c33810c6682f [0,0,0,1,0,0|2,0,1]=4 1399 B12R1.353 C=C(CO[C@@H]1CCC[C@H]1C)OC 39e035c458b0a094e29cb9d5f888f03b [0,0,0,1,0,0|2,0,1]=4 1400 B12R1.353 C=C(CO[C@H]1CCC[C@@H]1C)OC f6872d2815186fcfc71c2b0aada0bbed [0,0,0,1,0,0|2,0,1]=4 1401 B12R1.353 C=C(CO[C@H]1CCC[C@H]1C)OC fe89c660f7d583567f9f6c5d121696e6 [0,0,0,1,0,0|2,0,1]=4 1402 B12R1.353 CCC(=O)COC1CCCC1C 86ab1d0a96237a58d9951a7df77f1d96 [0,0,0,1,0,0|2,0,1]=4 1403 B12R1.353 CCC(=O)CO[C@@H]1CCC[C@@H]1C 0b478ff0a3e5f4f2333350271987a78f [0,0,0,1,0,0|2,0,1]=4 1404 B12R1.353 CCC(=O)CO[C@@H]1CCC[C@H]1C 900a89e389d5dc2474c4c9a1e816c40c [0,0,0,1,0,0|2,0,1]=4 1405 B12R1.353 CCC(=O)CO[C@H]1CCC[C@@H]1C ed4203b528da59cb5c5af891f6a2d6e7 [0,0,0,1,0,0|2,0,1]=4 1406 B12R1.353 CCC(=O)CO[C@H]1CCC[C@H]1C 10ee2c8d249454ec529953b400846820 [0,0,0,1,0,0|2,0,1]=4 1407 B12R1.353 CNC(=O)COC1CCCC1C 8ec5b765f9b26e3094b17139900621a1 [0,0,0,1,0,0|2,0,1]=4 1408 B12R1.353 CNC(=O)CO[C@@H]1CCC[C@@H]1C a22989ee1c61aafe8a64dcc1b0c06ddf [0,0,0,1,0,0|2,0,1]=4 1409 B12R1.353 CNC(=O)CO[C@@H]1CCC[C@H]1C 04049cebf2c5e6f456a01840dc23df5c [0,0,0,1,0,0|2,0,1]=4 1410 B12R1.353 CNC(=O)CO[C@H]1CCC[C@@H]1C cf2cacbc3db630d0be3dd3bf22764bbd [0,0,0,1,0,0|2,0,1]=4 1411 B12R1.353 CNC(=O)CO[C@H]1CCC[C@H]1C a1b7249f7e0b13ccc294da5bd9ec9ce4 [0,0,0,1,0,0|2,0,1]=4 1412 B12R1.353 COC(=O)CCN1CCCC1C 78da13008a363db22aa88c06f82b718e [0,0,0,1,0,0|1,0,2]=4 1413 B12R1.353 COC(=O)CCN1CCC[C@@H]1C 75b4a0610d27eda8c9bb7b0e1233084b [0,0,0,1,0,0|1,0,2]=4 1414 B12R1.353 COC(=O)CCN1CCC[C@H]1C 24a7bc4d7eddf95bbfae2d2dadf234c7 [0,0,0,1,0,0|1,0,2]=4 1415 B12R1.353 COC(=O)CNC1CCCC1O ef5b6e66a5708b51134d4fe4a0f65cf1 [0,0,0,1,0,0|2,0,1]=4 1416 B12R1.353 COC(=O)CN[C@@H]1CCC[C@@H]1O 8dcb0b31db3a5f78e10bc795951d6bd3 [0,0,0,1,0,0|2,0,1]=4 1417 B12R1.353 COC(=O)CN[C@@H]1CCC[C@H]1O 885a8d6afb11071509315e2e1f65a4e6 [0,0,0,1,0,0|2,0,1]=4 1418 B12R1.353 COC(=O)CN[C@H]1CCC[C@@H]1O deaf37e6af3a5b4531363f6d5a96078d [0,0,0,1,0,0|2,0,1]=4 1419 B12R1.353 COC(=O)CN[C@H]1CCC[C@H]1O d44b050607a89a3ea3011265363e5f3c [0,0,0,1,0,0|2,0,1]=4 1420 B12R1.353 COC(=O)COC1CCCC1C 0d28b709271fe028f67fcb1c41017c19 [0,0,0,1,0,0|1,0,1]=3 1421 B12R1.353 COC(=O)COC1COCC1C 1c116c443d4506936da90255f4554ba7 [0,0,0,1,0,0|2,0,1]=4 1422 B12R1.353 COC(=O)CO[C@@H]1CCC[C@@H]1C 5f234e7019ed91c13e8f9291d9a0904f [0,0,0,1,0,0|1,0,1]=3 1423 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1C fcbb6e0de9f19b9f856088d2390aefe3 [0,0,0,1,0,0|1,0,1]=3 1424 B12R1.353 COC(=O)CO[C@@H]1CCC[C@H]1F 89927154e646676839ac6f04a1ee50fe [0,0,0,1,0,0|2,0,1]=4 1425 B12R1.353 COC(=O)CO[C@@H]1COC[C@@H]1C a4d9c49691ec74f1086263e4a9f76fcf [0,0,0,1,0,0|2,0,1]=4 1426 B12R1.353 COC(=O)CO[C@H]1CCC[C@@H]1C a66dae8aaeee0c7edc45763da58e3e8a [0,0,0,1,0,0|1,0,1]=3 1427 B12R1.353 COC(=O)CO[C@H]1CCC[C@H]1C 1c0794e0bfd982a56afdb1f88f01dd54 [0,0,0,1,0,0|1,0,1]=3 1428 B12R1.353 COC(=O)CO[C@H]1COC[C@@H]1C e23cffab739608aa8fc1e9dc0ebf0c25 [0,0,0,1,0,0|2,0,1]=4 1429 B12R1.353 COC(=O)CO[C@H]1COC[C@H]1C 521309007d3821cada269b94b87084f7 [0,0,0,1,0,0|2,0,1]=4 1430 B12R1.353 COC(=O)OCN1CCCC1C 03af4e306f88e34e55bf81495f1ceb63 [0,0,0,1,0,0|2,0,1]=4 1431 B12R1.353 COC(=O)OCN1CCC[C@@H]1C ccc7e0631286fc9bdb3c81b9a4110d2e [0,0,0,1,0,0|2,0,1]=4 1432 B12R1.353 COC(=O)OCN1CCC[C@H]1C 941935b25dc194a9b1a978f76d3fe80e [0,0,0,1,0,0|2,0,1]=4 1433 B12R1.355 COC(=O)/C=C/CNC1CC1C 2e8e1142cc7d41bbe1f2fd81e82ebc92 [0,0,0,1,0,0|1,0,2]=4 1434 B12R1.355 COC(=O)/C=C\CNC1CC1C db10456e4464e76fbca84163fb89fc93 [0,0,0,1,0,0|1,0,2]=4 1435 B12R1.355 COC(=O)C#CCNC1CC1C b0c4f20ab964b85d8226e480c7579b3d [0,0,0,1,0,0|1,0,0]=2 1436 B12R1.355 COC(=O)C#CCN[C@@H]1C[C@H]1F 99c56bc38d8de5d48d7ab770aba3c250 [0,0,0,1,0,0|2,0,0]=3 1437 B12R1.355 COC(=O)C#CCN[C@H]1C[C@@H]1F c6172121400a1fe810660bcdc6b1215f [0,0,0,1,0,0|2,0,0]=3 1438 B12R1.355 COC(=O)C#CCN[C@H]1C[C@H]1F 3b5431e282611fdee21b4c1568227eb4 [0,0,0,1,0,0|2,0,0]=3 1439 B12R1.355 COC(=O)C=CCNC1CC1C 46ccecf03a9561079c7ad8ec7a1be0a0 [0,0,0,1,0,0|1,0,2]=4 1440 B12R1.355 COC(=O)CCCNC1CC1C 991ea2f136b82bd2ae281d4f6fa9cf60 [0,0,0,1,0,0|1,0,2]=4 1441 B12R1.355 COC(=O)CCOCC1CC1C 2777ef149de82bae4105c17fac968151 [0,0,0,1,0,0|1,0,2]=4 1442 B12R1.355 COC(=O)CCOC[C@@H]1C[C@@H]1C 27037e7d06c1c065d7bece3f270f8422 [0,0,0,1,0,0|1,0,2]=4 1443 B12R1.355 COC(=O)CCOC[C@@H]1C[C@H]1C f26ecd01ea61c9822c507f85dff095a3 [0,0,0,1,0,0|1,0,2]=4 1444 B12R1.355 COC(=O)CCOC[C@H]1C[C@@H]1C 00640da3169be67da03304cc80b3fbb0 [0,0,0,1,0,0|1,0,2]=4 1445 B12R1.355 COC(=O)OCOCC1CC1C 53eb69fd492e55ac675a640f00974a65 [0,0,0,1,0,0|2,0,1]=4 1446 B12R1.355 COC(=O)OCOC[C@@H]1C[C@@H]1C 5aa7b5bfddda47a07c0ec3769724d910 [0,0,0,1,0,0|2,0,1]=4 1447 B12R1.355 COC(=O)OCOC[C@@H]1C[C@H]1C 16ff1c00f36bacce9fe8feeb3b2fc2fa [0,0,0,1,0,0|2,0,1]=4 1448 B12R1.355 COC(=O)OCOC[C@H]1C[C@@H]1C fa69dad975b7b18e97f6851d975c0a51 [0,0,0,1,0,0|2,0,1]=4 1449 B12R1.356 C=C(CNCCC1CCC1)OC 56bb211dc728938e0673c43dde03512d [0,0,0,1,0,0|2,0,1]=4 1450 B12R1.356 C=C(COCCC1CCC1)OC ebab6300f6c7fb6ce2d81131ff2772f8 [0,0,0,1,0,0|2,0,1]=4 1451 B12R1.356 CCC(=O)CNCCC1CCC1 4a454b881cc11e19d8e36a5d1fc8773b [0,0,0,1,0,0|2,0,1]=4 1452 B12R1.356 CCC(=O)COCCC1CCC1 e22b04848207f2d7813288ba5071668b [0,0,0,1,0,0|2,0,1]=4 1453 B12R1.356 CNC(=O)CNCCC1CCC1 0bb73345c71692e0e222995ceed38f0d [0,0,0,1,0,0|2,0,1]=4 1454 B12R1.356 CNC(=O)COCCC1CCC1 75ee1bd495c6f499e52865829d955479 [0,0,0,1,0,0|2,0,1]=4 1455 B12R1.356 COC(=O)/C=C/CNC1CCC1 8e9a0b08dde6a2bf996b165aef815a71 [0,0,0,1,0,0|1,0,2]=4 1456 B12R1.356 COC(=O)/C=C/COC1CCC1 a03e858ab5598cc21a0e59c46f36d352 [0,0,0,1,0,0|1,0,2]=4 1457 B12R1.356 COC(=O)/C=C\CNC1CCC1 0f9eccd681abd1a35ab810f065b63f0d [0,0,0,1,0,0|1,0,2]=4 1458 B12R1.356 COC(=O)/C=C\COC1CCC1 65deefabd0ebf714145b2803bd85d8c5 [0,0,0,1,0,0|1,0,2]=4 1459 B12R1.356 COC(=O)C#CCNC1CCC1 f0d5b24ad29c163ad5f73a8a8fddf958 [0,0,0,1,0,0|1,0,0]=2 1460 B12R1.356 COC(=O)C#CCNC1COC1 fe4eec8314c2dfea8add7505490f3855 [0,0,0,1,0,0|2,0,0]=3 1461 B12R1.356 COC(=O)C#CCOC1CCC1 bded3a1750bc61b637f6836481877487 [0,0,0,1,0,0|1,0,0]=2 1462 B12R1.356 COC(=O)C#CCOC1COC1 0f640592af8632396dfc79a121ffca25 [0,0,0,1,0,0|2,0,0]=3 1463 B12R1.356 COC(=O)C#CCOC1CSC1 a49c98a36d8fd1ac1e3e1f30a4fb1192 [0,0,0,1,0,0|2,0,0]=3 1464 B12R1.356 COC(=O)C=CCNC1CCC1 c0933630232c1f1adf676133798a3f2a [0,0,0,1,0,0|1,0,2]=4 1465 B12R1.356 COC(=O)C=CCOC1CCC1 f07a85c412892d201bfe33fb906dbce2 [0,0,0,1,0,0|1,0,2]=4 1466 B12R1.356 COC(=O)CCCCN1CCC1 b033ef599bbe9012977c8c2e32d8c842 [0,0,0,1,0,0|1,0,2]=4 1467 B12R1.356 COC(=O)CCCNC1CCC1 8687ed738d4ba701d4f7cef7e5faabcb [0,0,0,1,0,0|1,0,2]=4 1468 B12R1.356 COC(=O)CCCOC1CCC1 5bcf90ca7ea91094425674b3afed8e27 [0,0,0,1,0,0|1,0,2]=4 1469 B12R1.356 COC(=O)CCNCC1CCC1 c5ce53fc32fa2a48b3cc8793d39acf1c [0,0,0,1,0,0|1,0,2]=4 1470 B12R1.356 COC(=O)CCOCC1CCC1 9d9f9712ba1de4816cd902cdf63334de [0,0,0,1,0,0|1,0,2]=4 1471 B12R1.356 COC(=O)CNCCC1CCC1 6d75997ff90827b5fe01e17b983a6e64 [0,0,0,1,0,0|1,0,1]=3 1472 B12R1.356 COC(=O)CNCCC1CCO1 5db583608f2971b33ad2729f7cbca655 [0,0,0,1,0,0|2,0,1]=4 1473 B12R1.356 COC(=O)CNCCC1COC1 ebdbdd81ebe072a6ca5cb60aabeac6a3 [0,0,0,1,0,0|2,0,1]=4 1474 B12R1.356 COC(=O)CNCCN1CCC1 ec954bb58ea692bff3166abc76a0f582 [0,0,0,1,0,0|2,0,1]=4 1475 B12R1.356 COC(=O)CNCC[C@@H]1CCO1 e2528ae48c0aa26294ab982de8d5e8bd [0,0,0,1,0,0|2,0,1]=4 1476 B12R1.356 COC(=O)COCCC1CCC1 871456e4b05a5d48843ef9cbc4dafeb3 [0,0,0,1,0,0|1,0,1]=3 1477 B12R1.356 COC(=O)COCCC1CCO1 1273a14c78b86d56d75c9598014ad0b0 [0,0,0,1,0,0|2,0,1]=4 1478 B12R1.356 COC(=O)COCCC1COC1 2638b294c7d4e7ad1f2884a76546bcb5 [0,0,0,1,0,0|2,0,1]=4 1479 B12R1.356 COC(=O)COCCN1CCC1 7183294aa099d7649f011dbabc412715 [0,0,0,1,0,0|2,0,1]=4 1480 B12R1.356 COC(=O)COCC[C@@H]1CCO1 e8c2c88c0dcf8a73cc55a11383d66169 [0,0,0,1,0,0|2,0,1]=4 1481 B12R1.356 COC(=O)COCC[C@H]1CCO1 523d16ab3f9f6ab7f8dc46555807d217 [0,0,0,1,0,0|2,0,1]=4 1482 B12R1.356 COC(=O)OCCOC1CCC1 511ad9d538de32696e564da99a8fb652 [0,0,0,1,0,0|2,0,1]=4 1483 B12R1.356 COC(=O)OCNCC1CCC1 b6ced389133979d6b0b43092e6421ec4 [0,0,0,1,0,0|2,0,1]=4 1484 B12R1.356 COC(=O)OCOCC1CCC1 9c8db989a209967bfbe6380262d432d6 [0,0,0,1,0,0|2,0,1]=4 1485 B12R1.360 C=C(COCCCC1CC1)OC 1809d1c40c7c67b96c57161bc3801c28 [0,0,0,1,0,0|2,0,1]=4 1486 B12R1.360 CCC(=O)COCCCC1CC1 17c75975156ca61963ca01472bcc0eec [0,0,0,1,0,0|2,0,1]=4 1487 B12R1.360 CNC(=O)COCCCC1CC1 21dca2e849b2e2b592e00430cfa77d5f [0,0,0,1,0,0|2,0,1]=4 1488 B12R1.360 COC(=O)/C=C/CNCC1CC1 39cc6c760a2d22b860e3e6089b999f18 [0,0,0,1,0,0|1,0,2]=4 1489 B12R1.360 COC(=O)/C=C/COCC1CC1 1d7d1c59f0626522c4b2c50fb9cbbe76 [0,0,0,1,0,0|1,0,2]=4 1490 B12R1.360 COC(=O)/C=C\CNCC1CC1 4178f6ae08389566c1efee53a8b7f638 [0,0,0,1,0,0|1,0,2]=4 1491 B12R1.360 COC(=O)/C=C\COCC1CC1 13658cb98896d565ea2e6aa58e3c33b9 [0,0,0,1,0,0|1,0,2]=4 1492 B12R1.360 COC(=O)C#CCNCC1CC1 60255cf39715c908017057e1994681f3 [0,0,0,1,0,0|1,0,0]=2 1493 B12R1.360 COC(=O)C#CCOCC1CC1 7e1ef0bdc3f4817a85e6bb49389f231d [0,0,0,1,0,0|1,0,0]=2 1494 B12R1.360 COC(=O)C=CCNCC1CC1 2a0597c19bd4725b47e413e84733c985 [0,0,0,1,0,0|1,0,2]=4 1495 B12R1.360 COC(=O)C=CCOCC1CC1 47915094a75d1eac9c65e0fcd50e8f30 [0,0,0,1,0,0|1,0,2]=4 1496 B12R1.360 COC(=O)CCCCNC1CC1 05b4536934beb95943c580f219b93e50 [0,0,0,1,0,0|1,0,2]=4 1497 B12R1.360 COC(=O)CCCCOC1CC1 12fca4feb061c4cddca09f6491f94e06 [0,0,0,1,0,0|1,0,2]=4 1498 B12R1.360 COC(=O)CCCNCC1CC1 af617d8a77b122a093bfc04805ffffdf [0,0,0,1,0,0|1,0,2]=4 1499 B12R1.360 COC(=O)CCCOCC1CC1 593a163b4d42fcbf3595fd711a0b6a1c [0,0,0,1,0,0|1,0,2]=4 1500 B12R1.360 COC(=O)CCNCCC1CC1 4453d2f1264c17af4eb32cfddc19327d [0,0,0,1,0,0|1,0,2]=4 1501 B12R1.360 COC(=O)CCOCCC1CC1 811be3747c41913b2af0509f2f583a5f [0,0,0,1,0,0|1,0,2]=4 1502 B12R1.360 COC(=O)CNCCOC1CC1 3b555701673ea232df934622192c664c [0,0,0,1,0,0|2,0,1]=4 1503 B12R1.360 COC(=O)COCCCC1CC1 a7d04eff5cce144c153474ea7a1fdef5 [0,0,0,1,0,0|1,0,1]=3 1504 B12R1.360 COC(=O)COCCNC1CC1 e86f5feead89c38184bb450d7ef56c40 [0,0,0,1,0,0|2,0,1]=4 1505 B12R1.360 COC(=O)COCCOC1CC1 c6d9584d14000aa20cafae5a30a04f54 [0,0,0,1,0,0|2,0,1]=4 1506 B12R1.360 COC(=O)OCCOCC1CC1 5f29655709a5e6f641c924770c7f0c07 [0,0,0,1,0,0|2,0,1]=4 1507 B12R1.360 COC(=O)OCNCCC1CC1 23dd919e43c3246393f04d09d1b4fd7b [0,0,0,1,0,0|2,0,1]=4 1508 B12R1.360 COC(=O)OCOCCC1CC1 b9491c20993caaab7af45a54d20b07aa [0,0,0,1,0,0|2,0,1]=4 1509 B12R1.364 COC(=O)CCN[C@@H]1CC[C@H]1C 49a6bef235b71c2281fa1bdbe35cf45c [0,0,0,1,0,0|1,0,2]=4 1510 B12R1.364 COC(=O)CCN[C@H]1CC[C@H]1C edea97762804a0c89e56db6c95c9050f [0,0,0,1,0,0|1,0,2]=4 1511 B12R1.364 COC(=O)CNCC1CCN1C 06d8d47ecfa5b679efbc04173247101c [0,0,0,1,0,0|2,0,1]=4 1512 B12R1.364 COC(=O)COCC1CCC1F 7f157108ef7b0f97698144804d6691e2 [0,0,0,1,0,0|2,0,1]=4 1513 B12R1.364 COC(=O)COCC1CCN1C 8a3688643669a5822f0201c0da910821 [0,0,0,1,0,0|2,0,1]=4 1514 B12R1.364 COC(=O)COC[C@@H]1CCN1C 48c0ddf1cc1b200bc881df45b7612b09 [0,0,0,1,0,0|2,0,1]=4 1515 B12R1.364 COC(=O)COC[C@H]1CCN1C ceefd23cb988eb39af37a194de3b3a33 [0,0,0,1,0,0|2,0,1]=4 1516 B12R1.364 COC(=O)OCN[C@@H]1CC[C@H]1C 5c0010308a8be4def705a0c8a708c62c [0,0,0,1,0,0|2,0,1]=4 1517 B12R1.364 COC(=O)OCN[C@H]1CC[C@H]1C ab8260fd838c42aa3a9561881586fe74 [0,0,0,1,0,0|2,0,1]=4 1518 B12R1.365 CCC(=O)N1CCCCCC1C aced5a7e9c91dbc3cfbebe48cb0227e1 [0,0,0,1,0,0|2,0,1]=4 1519 B12R1.371 C=C(CN1CCCCC1C)OC 09101b025ed03783798cdef50b6bb1f1 [0,0,0,1,0,0|2,0,1]=4 1520 B12R1.371 C=C(CN1CCCC[C@@H]1C)OC 72a381625b3893a99ef547287223d747 [0,0,0,1,0,0|2,0,1]=4 1521 B12R1.371 C=C(CN1CCCC[C@H]1C)OC 7ca635d6728c1b18f06cee8a666888de [0,0,0,1,0,0|2,0,1]=4 1522 B12R1.371 CCC(=O)CN1CCCCC1C 947402d71b11ec73fd0fce93d036ed92 [0,0,0,1,0,0|2,0,1]=4 1523 B12R1.371 CCC(=O)CN1CCCC[C@@H]1C 9460a7288d62bb97588b0a75ff4502dc [0,0,0,1,0,0|2,0,1]=4 1524 B12R1.371 CCC(=O)CN1CCCC[C@H]1C 20834a0fbfb65fc23f08ead98f3f127e [0,0,0,1,0,0|2,0,1]=4 1525 B12R1.371 CCC(=O)NC1CCCCC1C 49ae2a73276f250ed23e1a20e874d7a0 [0,0,0,1,0,0|2,0,1]=4 1526 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@@H]1C ad1e235c2bdb5be6d06e9f757c8d05e8 [0,0,0,1,0,0|2,0,1]=4 1527 B12R1.371 CCC(=O)N[C@@H]1CCCC[C@H]1C a9d1e65296d3c851dcb489c997dbd768 [0,0,0,1,0,0|2,0,1]=4 1528 B12R1.371 CCC(=O)N[C@H]1CCCC[C@@H]1C 6a021d1f6d7dad7e32cab96f97f500ef [0,0,0,1,0,0|2,0,1]=4 1529 B12R1.371 CCC(=O)N[C@H]1CCCC[C@H]1C 707d34554a21b9963204cbdd87ceac15 [0,0,0,1,0,0|2,0,1]=4 1530 B12R1.371 CNC(=O)CN1CCCCC1C 1060fc494cb27564918e0ec10b91cbb7 [0,0,0,1,0,0|2,0,1]=4 1531 B12R1.371 CNC(=O)CN1CCCC[C@@H]1C a3b7a65ad7daac8365b25d8b4496b5e7 [0,0,0,1,0,0|2,0,1]=4 1532 B12R1.371 CNC(=O)CN1CCCC[C@H]1C c62af9d13f04e98b75d689ef4e7473e5 [0,0,0,1,0,0|2,0,1]=4 1533 B12R1.371 COC(=O)CN1CCCCC1C edf39580d9c6c4e014d47cc69b34f141 [0,0,0,1,0,0|1,0,1]=3 1534 B12R1.371 COC(=O)CN1CCCC[C@@H]1C 44f203a7642d009ab7fd0b0b0d168096 [0,0,0,1,0,0|1,0,1]=3 1535 B12R1.371 COC(=O)CN1CCCC[C@H]1C ec7346485b9eba4a1eab098e27eda2ed [0,0,0,1,0,0|1,0,1]=3 1536 B12R1.371 COC(=O)CN1CCOCC1C 59407c7c504c42e450b2a7d2fe25fee8 [0,0,0,1,0,0|2,0,1]=4 1537 B12R1.371 COC(=O)CN1CCOC[C@@H]1C 71f332d825a0ead1a377ec7f7bb79375 [0,0,0,1,0,0|2,0,1]=4 1538 B12R1.371 COC(=O)CN1CCOC[C@H]1C c344f938d3a8b1ac0a21e1da90beebcf [0,0,0,1,0,0|2,0,1]=4 1539 B12R1.383 CCCCCCN[C@H]1CNC1=O 34c4342e384e898c0bd9dbec064d9fd3 [0,0,0,1,0,0|2,0,1]=4 1540 B12R1.383 CCCCCCOC1CCC1=O fb3755ef5063eb81004edbf86e8d619b [0,0,0,1,0,0|2,0,1]=4 1541 B12R1.383 CCCCCNCC1COC1=O 89c9e2194f01b4aaa43a4ea26fcfaa9e [0,0,0,1,0,0|1,0,2]=4 1542 B12R1.383 CCCCCOCC1COC1=O 480a64f12b395abba4fb013ae6438163 [0,0,0,1,0,0|1,0,2]=4 1543 B12R1.396 COC(=O)CNCC1CC1CO a966a5827a996506cf9f25d02bd91fd7 [0,0,0,1,0,0|2,0,1]=4 1544 B12R1.402 CCC1CCN1CCC(=O)OC 62df155a9a954ae2ffe8cd76d7b48416 [0,0,0,1,0,0|1,0,2]=4 1545 B12R1.402 CCC1CCN1COC(=O)OC bb6ef469e3418449d3367751eb8a86e7 [0,0,0,1,0,0|2,0,1]=4 1546 B12R1.402 COC(=O)CNC1CCC1OC cac43e7ab43270cebfc7a1f2feec000d [0,0,0,1,0,0|2,0,1]=4 1547 B12R1.402 COC(=O)CN[C@@H]1CC[C@@H]1OC 3487da750ca01edb0b7bfb79f5aa5b5b [0,0,0,1,0,0|2,0,1]=4 1548 B12R1.402 COC(=O)CN[C@@H]1CC[C@H]1OC 5b3b87983e755ed0046f2e7fafb9942d [0,0,0,1,0,0|2,0,1]=4 1549 B12R1.402 COC(=O)CN[C@H]1CC[C@@H]1OC 9e91593ccbe2cfb7b8dd11de1abaa4fa [0,0,0,1,0,0|2,0,1]=4 1550 B12R1.402 COC(=O)CN[C@H]1CC[C@H]1OC c8c77c005c939297bf837e043083c32c [0,0,0,1,0,0|2,0,1]=4 1551 B12R1.477 C=C(CNCC1CCCC1)OC 07bbf693bc49f6ca1b7aaa97c077fa27 [0,0,0,1,0,0|2,0,1]=4 1552 B12R1.477 C=C(COCC1CCCC1)OC e3f2a7404aaae0aa8c123273e757d116 [0,0,0,1,0,0|2,0,1]=4 1553 B12R1.477 CCC(=O)CNCC1CCCC1 2af5053710eeb80541edd9fbad68b39d [0,0,0,1,0,0|2,0,1]=4 1554 B12R1.477 CCC(=O)COCC1CCCC1 c8562fd75fad6a35e585f68a8bed3581 [0,0,0,1,0,0|2,0,1]=4 1555 B12R1.477 CCC(=O)NCCC1CCCC1 b67cf06d1e0a23d3026b35a48b608ff0 [0,0,0,1,0,0|2,0,1]=4 1556 B12R1.477 CNC(=O)CNCC1CCCC1 01b8a3421decd7d426b1a46ac1db61b1 [0,0,0,1,0,0|2,0,1]=4 1557 B12R1.477 CNC(=O)COCC1CCCC1 84da474abc3ba7db49d4d7ae70ee776a [0,0,0,1,0,0|2,0,1]=4 1558 B12R1.477 COC(=O)C#CCN1CC=CC1 c1afa3d2e7b261a055542b5a77f8bd63 [0,0,0,1,0,0|1,0,2]=4 1559 B12R1.477 COC(=O)C#CCN1CCSC1 2ba2dd2a4d133d4009fc900b50345534 [0,0,0,1,0,0|2,0,0]=3 1560 B12R1.477 COC(=O)CCNC1CCCC1 c4b2842664eca5b647db2fe8d4345eb3 [0,0,0,1,0,0|1,0,2]=4 1561 B12R1.477 COC(=O)CCOC1CCCC1 41d99f7c621e9109f1f013725365133e [0,0,0,1,0,0|1,0,2]=4 1562 B12R1.477 COC(=O)CNCC1CCCC1 692c814c416947e44d12c088aefccadc [0,0,0,1,0,0|1,0,1]=3 1563 B12R1.477 COC(=O)CNCC1CCCO1 822d5a6c75d7f017f2b57ef1a64dfbca [0,0,0,1,0,0|2,0,1]=4 1564 B12R1.477 COC(=O)CNCC1CCOC1 738baf96ddbabf0d756db9c2d9cc391f [0,0,0,1,0,0|2,0,1]=4 1565 B12R1.477 COC(=O)CNC[C@@H]1CCCO1 aec82e2288587ddeb7bb624c9c7b557a [0,0,0,1,0,0|2,0,1]=4 1566 B12R1.477 COC(=O)CNC[C@@H]1CCOC1 c626b8301de69e632a8bf7792bceb95f [0,0,0,1,0,0|2,0,1]=4 1567 B12R1.477 COC(=O)CNC[C@H]1CCCO1 9d580e0519cc51401b6153e1698d2e94 [0,0,0,1,0,0|2,0,1]=4 1568 B12R1.477 COC(=O)CNC[C@H]1CCOC1 452d6e55fcb96ba14d75b946be279b3a [0,0,0,1,0,0|2,0,1]=4 1569 B12R1.477 COC(=O)COCC1CCCC1 4a84ec77ee1ef1fabaaa560f99e066bc [0,0,0,1,0,0|1,0,1]=3 1570 B12R1.477 COC(=O)COCC1CCCO1 f7c0ba7e2b26608f0e4bd8e3c4f9eb24 [0,0,0,1,0,0|2,0,1]=4 1571 B12R1.477 COC(=O)COCC1CCCS1 f1777d842bdca49aed1fe873fef0e789 [0,0,0,1,0,0|2,0,1]=4 1572 B12R1.477 COC(=O)COCC1CCOC1 4f9da43a09f90e821d909e3e23f6ec64 [0,0,0,1,0,0|2,0,1]=4 1573 B12R1.477 COC(=O)COCN1CCCC1 6d21cde373e9710f280ae9e418e09b9c [0,0,0,1,0,0|2,0,1]=4 1574 B12R1.477 COC(=O)COC[C@@H]1CCCO1 00c70f086359aea2056666989b4e290d [0,0,0,1,0,0|2,0,1]=4 1575 B12R1.477 COC(=O)COC[C@@H]1CCOC1 a80e380c8248c3c0fa1abd51b757e442 [0,0,0,1,0,0|2,0,1]=4 1576 B12R1.477 COC(=O)COC[C@H]1CCCO1 550359bec18cb8404f66f23f40e02bec [0,0,0,1,0,0|2,0,1]=4 1577 B12R1.477 COC(=O)COC[C@H]1CCOC1 eec13af091c3f42433c01a10e82a3eb6 [0,0,0,1,0,0|2,0,1]=4 1578 B12R1.477 COC(=O)OCNC1CCCC1 0f4e46742845637443ce2c99efedc9f2 [0,0,0,1,0,0|2,0,1]=4 1579 B12R1.477 COC(=O)OCOC1CCCC1 060a5b1821cf3f92c2e316db26c3c2ed [0,0,0,1,0,0|2,0,1]=4 1580 B12R1.1412 CCCCCN1CC1C(=O)OC 698be53b7e59ad4f25e4bede4432c8b6 [0,0,0,1,0,0|1,0,2]=4 1581 B12R1.1412 CCCCCN1C[C@H]1C(=O)OC 0fdce472605903e017f3b31c85562318 [0,0,0,1,0,0|1,0,2]=4 1582 B12R1.1412 CCCCNC1CC1C(=O)OC adf45f94dac98898c7160056f8bb1d7e [0,0,0,1,0,0|1,0,2]=4 1583 B12R1.1412 CCCCOC1CC1C(=O)OC 086da0da463463e3a5e87182dfe756f7 [0,0,0,1,0,0|1,0,2]=4 1584 B12R1.1412 CCCNC[C@@H]1C[C@H]1C(=O)OC aaa5a826b3a5852586e25dc880513813 [0,0,0,1,0,0|1,0,2]=4 1585 B12R1.1412 CCCOCC1CC1C(=O)OC a0d3d7af12125498d0a49efd54d2bc88 [0,0,0,1,0,0|1,0,2]=4 1586 B12R1.1412 CCCOC[C@@H]1C[C@@H]1C(=O)OC 3e0a95cf289610c464917fa0e180373b [0,0,0,1,0,0|1,0,2]=4 1587 B12R1.1412 CCCOC[C@@H]1C[C@H]1C(=O)OC 2843013c9808d383db3dfae0c7a7e6ce [0,0,0,1,0,0|1,0,2]=4 1588 B12R1.1412 CCCOC[C@H]1C[C@@H]1C(=O)OC d0e3b81a1ca834241da4f5830d73e857 [0,0,0,1,0,0|1,0,2]=4 1589 B12R1.1412 CCOCC[C@H]1C[C@@H]1C(=O)OC ee4d97e924ae0e3e3ce3e472acfa1576 [0,0,0,1,0,0|1,0,2]=4 1590 B12R1.1659 CCC(=O)N1CCCCCCC1 9af2e7f6306dea747b93f5f7a3212cc1 [0,0,0,1,0,0|2,0,1]=4 1591 B12R1.1748 C=C(CN1CCCCCC1)OC 5323552dca92fd31c2bf867915c7b2a3 [0,0,0,1,0,0|2,0,1]=4 1592 B12R1.1748 CCC(=O)CN1CCCCCC1 01f7e33a55a049d6fcd6d45325f23577 [0,0,0,1,0,0|2,0,1]=4 1593 B12R1.1748 CCC(=O)NC1CCCCCC1 1049289f282d61390cb51b1942468670 [0,0,0,1,0,0|2,0,1]=4 1594 B12R1.1748 CNC(=O)CN1CCCCCC1 7f8b41edccabcbd8df9ab4993f1c1a64 [0,0,0,1,0,0|2,0,1]=4 1595 B12R1.1748 COC(=O)CN1CCCCCC1 b49db2bbbbc56b7e752ba9b16b15891d [0,0,0,1,0,0|1,0,1]=3 1596 B12R1.1748 COC(=O)CN1CCCOCC1 0d351860c24f906956cf2e0011408a91 [0,0,0,1,0,0|2,0,1]=4 1597 B9R0.2 CC(=O)NCCCCCCl 9810fdb3b44bef22ae3578265fbb7e47 [2,0,0,0,0,0|2,0,0]=4 1598 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [2,0,0,0,0,0|2,0,0]=4 1599 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [2,0,0,0,0,0|1,0,0]=3 1600 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [2,0,0,0,0,0|1,0,1]=4 1601 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [2,0,0,0,0,0|1,0,1]=4 1602 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [2,0,0,0,0,0|1,0,1]=4 1603 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [2,0,0,0,0,0|1,0,1]=4 1604 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [2,0,0,0,0,0|1,0,1]=4 1605 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [2,0,0,0,0,0|1,0,1]=4 1606 B9R0.2 CCCCNCOC(=O)C f747ae8d75ae5077cb457c21af32c3d4 [2,0,0,0,0,0|2,0,0]=4 1607 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [2,0,0,0,0,0|1,0,1]=4 1608 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [2,0,0,0,0,0|1,0,1]=4 1609 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [2,0,0,0,0,0|2,0,0]=4 1610 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [2,0,0,0,0,0|2,0,0]=4 1611 B9R0.2 CCCNCC#CC(=O)N e74eaee5e1f71e6fbf24a351a3deeba4 [2,0,0,0,0,0|2,0,0]=4 1612 B9R0.2 CCCNCC#CC(=O)O a4ffabb1fc463a4c83e7684cb826c3e8 [2,0,0,0,0,0|1,0,0]=3 1613 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [2,0,0,0,0,0|1,0,1]=4 1614 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [2,0,0,0,0,0|1,0,1]=4 1615 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [2,0,0,0,0,0|2,0,0]=4 1616 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [2,0,0,0,0,0|2,0,0]=4 1617 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [2,0,0,0,0,0|2,0,0]=4 1618 B9R0.2 CCCOCC#CC(=O)O 973b316b9915a74f4553e52fb7cc188e [2,0,0,0,0,0|1,0,0]=3 1619 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [2,0,0,0,0,0|1,0,1]=4 1620 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [2,0,0,0,0,0|1,0,1]=4 1621 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [2,0,0,0,0,0|2,0,0]=4 1622 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [2,0,0,0,0,0|2,0,0]=4 1623 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [2,0,0,0,0,0|2,0,0]=4 1624 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [2,0,0,0,0,0|1,0,1]=4 1625 B9R0.2 CCNCCCNC(=O)C 81f3181e8e4443de7d578da2748320f4 [2,0,0,0,0,0|2,0,0]=4 1626 B9R0.2 CCOCCC#CC(=O)O 5ed97ccd5b3164e44f8f6133f43dc81c [2,0,0,0,0,0|1,0,0]=3 1627 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [2,0,0,0,0,0|1,0,1]=4 1628 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [2,0,0,0,0,0|1,0,1]=4 1629 B9R0.2 CCOCCCNC(=O)C c5dadd69f1df46bcde7d3d147d2b830b [2,0,0,0,0,0|2,0,0]=4 1630 B9R0.2 CCOCCCOC(=O)C 521ac746c4773e46268f3042c9c9e91c [2,0,0,0,0,0|2,0,0]=4 1631 B9R0.2 CCOCCCSC(=O)C c7c25084ef75859ffb4a847bdfcca873 [2,0,0,0,0,0|2,0,0]=4 1632 B9R0.2 COCCCCNC(=O)C 4f652cda1775947bb169784843d0beab [2,0,0,0,0,0|2,0,0]=4 1633 B9R0.2 COCNCC#CC(=O)O 2d7890b6633f44ec9c2455a9abf7b600 [2,0,0,0,0,0|2,0,0]=4 1634 B9R0.2 COCOCC#CC(=O)O 666a8309680cb3811e622a1133a23c12 [2,0,0,0,0,0|2,0,0]=4 1635 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [2,0,0,0,0,0|2,0,0]=4 1636 B9R0.2 CSCNCC#CC(=O)O c96d606de47d4c3a5312f4c25d7c9b77 [2,0,0,0,0,0|2,0,0]=4 1637 B9R0.2 CSCOCC#CC(=O)O 1c62f84ae4020df1a235e921ae287599 [2,0,0,0,0,0|2,0,0]=4 1638 B9R0.2 O=C(O)C#CCCOCF 497471b5d152ca87009def7b479dda07 [2,0,0,0,0,0|2,0,0]=4 1639 B9R0.2 O=C(O)C#CCNCCF d916459483df03f83c79ddd8bf132a9a [2,0,0,0,0,0|2,0,0]=4 1640 B9R0.2 O=C(O)C#CCNCCO 722522d57a7ff166b18ef92858ffaa37 [2,0,0,0,0,0|2,0,0]=4 1641 B9R0.2 O=C(O)C#CCNCCS 84314e71a56c3f572abb0c5396cd84b3 [2,0,0,0,0,0|2,0,0]=4 1642 B9R0.2 O=C(O)C#CCOCCF c436c74f3f0efb85e9b0d2a7bf2c9974 [2,0,0,0,0,0|2,0,0]=4 1643 B9R0.2 O=C(O)C#CCOCCS 40f63cd55bd624dcf535531443872eb1 [2,0,0,0,0,0|2,0,0]=4 1644 B9R0.45 CC=CC#CCCOCC e3f2a44d84f139e37259da7cc09de454 [2,0,0,0,0,0|2,0,0]=4 1645 B9R0.45 CCC#CCCOCCC 4cc8a61a8d84e6a0c5e1fcd690fd5b56 [2,0,0,0,0,0|1,0,1]=4 1646 B9R0.45 CCC#CCNCCCC b16b9ba44f9f00cc4bf164df593785df [2,0,0,0,0,0|1,0,1]=4 1647 B9R0.45 CCC#CCOCCCC e29b05fd44bb447849a1841423f507ef [2,0,0,0,0,0|1,0,1]=4 1648 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [2,0,0,0,0,0|1,0,1]=4 1649 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [2,0,0,0,0,0|1,0,1]=4 1650 B9R0.45 CCCCCCNCOC aba2e41598bd49d27de9d216a6960960 [2,0,0,0,0,0|1,0,1]=4 1651 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [2,0,0,0,0,0|1,0,1]=4 1652 B9R0.45 CCCCCCOCOC 6663dbbf181def3e6cf6b976451eb0e9 [2,0,0,0,0,0|1,0,1]=4 1653 B9R0.45 CCCCNCC#CCO f9b46685816839424d05c17328cbd03f [2,0,0,0,0,0|1,0,1]=4 1654 B9R0.45 CCCNCC#CCOC 37a36a9d8f7648efb552822ade0ea11a [2,0,0,0,0,0|1,0,1]=4 1655 B9R0.45 CCCOCC#CCOC 1536774f0a1de22f9373fd9fdb876fc5 [2,0,0,0,0,0|1,0,1]=4 1656 B9R0.46 C=C(CNCCCC)OC 9825a980fc85fa770a90f2c807e79cb3 [2,0,0,0,0,0|2,0,0]=4 1657 B9R0.46 C=C(COCCCC)OC 23a23683e3ff82dc0ce66f5c7735aae5 [2,0,0,0,0,0|2,0,0]=4 1658 B9R0.46 CCCCCNC(=O)CC 849a8920618781fdb82a0336e223971a [2,0,0,0,0,0|2,0,0]=4 1659 B9R0.46 CCCCNCC(=O)CC b2e0d743393b788f6d80972415374097 [2,0,0,0,0,0|2,0,0]=4 1660 B9R0.46 CCCCNCC(=O)NC 1e17cf9400576df78ba3d0bbd5e004b2 [2,0,0,0,0,0|2,0,0]=4 1661 B9R0.46 CCCCNCC(=O)OC 90edefb6d3a3ca213013f1f09af4da63 [2,0,0,0,0,0|1,0,0]=3 1662 B9R0.46 CCCCOCC(=O)CC 389316566cd1a1fc2f85978e15274242 [2,0,0,0,0,0|2,0,0]=4 1663 B9R0.46 CCCCOCC(=O)NC cf030b05ed543e346a9154767a28bae4 [2,0,0,0,0,0|2,0,0]=4 1664 B9R0.46 CCCCOCC(=O)OC 3a258f28efc16859d84bb30eb200cc4d [2,0,0,0,0,0|1,0,0]=3 1665 B9R0.46 CCCNCCC(=O)NC 15c9bd5d976b45d01c0fa363e53c356e [2,0,0,0,0,0|2,0,0]=4 1666 B9R0.46 CCCNCCC(=O)OC 05bc030a2f2408fd65b5ffca8abeab98 [2,0,0,0,0,0|1,0,0]=3 1667 B9R0.46 CCCNCOC(=O)OC f670b6fcf3cafadb01eab83cce01794d [2,0,0,0,0,0|2,0,0]=4 1668 B9R0.46 CCCOCCC(=O)NC 08e49cdbe7f26a9ed53ba2c0be49d187 [2,0,0,0,0,0|2,0,0]=4 1669 B9R0.46 CCCOCCC(=O)OC 630bff407b7c5972cdb6361bdad86547 [2,0,0,0,0,0|1,0,0]=3 1670 B9R0.46 CCCOCOC(=O)OC f08733c900934115c08d74dfad3e1662 [2,0,0,0,0,0|2,0,0]=4 1671 B9R0.46 CCNCCCC(=O)OC 8791db4546254853c1d2c8daf04e29f1 [2,0,0,0,0,0|1,0,0]=3 1672 B9R0.46 CCOCC#CC(=O)OC e15e1f9f4e388c6a32bbdba37a6a7dc7 [2,0,0,0,0,0|1,0,0]=3 1673 B9R0.46 CCOCCCC(=O)NC 8b277ae760d242e65f64127caa0bf565 [2,0,0,0,0,0|2,0,0]=4 1674 B9R0.46 CCOCCOC(=O)OC b297131086651eb5dcd01a50837d46c4 [2,0,0,0,0,0|2,0,0]=4 1675 B9R0.46 CCOCNCC(=O)OC 27835f195b0bedba7d74a5f359d40b76 [2,0,0,0,0,0|2,0,0]=4 1676 B9R0.46 CCOCOCC(=O)OC 167c3e792b29957573aad87659d7bbe6 [2,0,0,0,0,0|2,0,0]=4 1677 B9R0.46 COC(=O)C#CCOCF 2c49dc6e78eca5b4efbdd30c5a14c189 [2,0,0,0,0,0|2,0,0]=4 1678 B9R0.46 COC(=O)CCCNCF e9250563d19357c2b217ddc01e5b54cc [2,0,0,0,0,0|2,0,0]=4 1679 B9R0.46 COC(=O)CCCNCO 7f4c543538d7d8c02923f8e5ee512b7d [2,0,0,0,0,0|2,0,0]=4 1680 B9R0.46 COC(=O)CCNCCBr 2e9d2d8ee2945dc03997f39ac9c22456 [2,0,0,0,0,0|2,0,0]=4 1681 B9R0.46 COC(=O)CCNCCF 2bfe6c663d75847c3cf0523a2f776449 [2,0,0,0,0,0|2,0,0]=4 1682 B9R0.46 COC(=O)CCNCCI f7228399f663e5c2847b83866d3779d1 [2,0,0,0,0,0|2,0,0]=4 1683 B9R0.46 COC(=O)CCNCCO 370144453eebf725a732ab3ac8cea44b [2,0,0,0,0,0|2,0,0]=4 1684 B9R0.46 COC(=O)CCNCCS 6b781ff091c75a1c77e9b99c78c0a8c2 [2,0,0,0,0,0|2,0,0]=4 1685 B9R0.46 COC(=O)CCNCSC f9cdc13e157a948defb075346b9d25c1 [2,0,0,0,0,0|2,0,0]=4 1686 B9R0.46 COC(=O)CCOCCF 628582c7630374a94e4bced8359c4233 [2,0,0,0,0,0|2,0,0]=4 1687 B9R0.46 COC(=O)CCOCCS 20528c74e4da9192ce01c8b31c16dba2 [2,0,0,0,0,0|2,0,0]=4 1688 B9R0.46 COC(=O)CCOCSC f8c9563c56621b9e36b8626b322b47d8 [2,0,0,0,0,0|2,0,0]=4 1689 B9R0.46 COC(=O)CNCCCCl 55e51726dd18a7f132b3e21305569abc [2,0,0,0,0,0|2,0,0]=4 1690 B9R0.46 COC(=O)CNCCCF e93d46be851bbddb3a2f9941aeed8ff2 [2,0,0,0,0,0|2,0,0]=4 1691 B9R0.46 COC(=O)CNCCCO 46abbcbf049316d92b11742c7ee09635 [2,0,0,0,0,0|2,0,0]=4 1692 B9R0.46 COC(=O)CNCCCS cea58286d3c1d454f8ec51cb225d8c9b [2,0,0,0,0,0|2,0,0]=4 1693 B9R0.46 COC(=O)CNCCSC 8c188a6ed92fc6374ee2a2dbcfcee1cb [2,0,0,0,0,0|2,0,0]=4 1694 B9R0.46 COC(=O)COCCCF eb4d08d12a32347963985a219a2436b3 [2,0,0,0,0,0|2,0,0]=4 1695 B9R0.46 COC(=O)COCCCS cead342093671334804d8e04218fd18f [2,0,0,0,0,0|2,0,0]=4 1696 B9R0.46 COC(=O)COCCSC f6bc7966168712e9ed4ac4cc1e9f6f92 [2,0,0,0,0,0|2,0,0]=4 1697 B9R0.46 COCCNCC(=O)OC c9c694c5a89b651170c8ff4da2275f98 [2,0,0,0,0,0|2,0,0]=4 1698 B9R0.46 COCCOCC(=O)OC 2c6ae10da48fe440860bfbd6b88c257a [2,0,0,0,0,0|2,0,0]=4 1699 B9R0.46 COCNCCC(=O)OC ce81a92d5ba5f01cc4823c162f22f501 [2,0,0,0,0,0|2,0,0]=4 1700 B9R0.46 COCOCCC(=O)OC 6aede0cdfec6dbd64f8c4300c142c36f [2,0,0,0,0,0|2,0,0]=4 1701 B11R0.2 CCCCCCC(C)NC(=O)C 7d2594c88fb8150c121e8324175f88c5 [1,1,0,0,0,0|1,0,1]=4 1702 B11R0.2 CCCCCCN(C)CC(=O)O fffbd83ababffa159958606d9a112cce [1,1,0,0,0,0|1,0,1]=4 1703 B11R0.2 CCCCCC[C@@H](C)NC(=O)C af528d8f66525ad70454e456f4855ab6 [1,1,0,0,0,0|1,0,1]=4 1704 B11R0.2 CCCCCC[C@H](C)NC(=O)C 4ac5ea84352b83ba49d889143f6264a1 [1,1,0,0,0,0|1,0,1]=4 1705 B11R0.30 C=C(C)CCNCC#CC(=O)O 9fddba24dfae63607927457f6154f62f [1,1,0,0,0,0|1,0,1]=4 1706 B11R0.30 C=C(C)CCOCC#CC(=O)O 1480a02c456164c0392ad689155901d8 [1,1,0,0,0,0|1,0,1]=4 1707 B11R0.30 C=C(C)COCCC#CC(=O)O 78917ca51f0303b2122b8e0460c35844 [1,1,0,0,0,0|1,0,1]=4 1708 B11R0.30 CC(=O)CCNCC#CC(=O)O 0d372a487a6d4c53be6e47b56dc5391c [1,1,0,0,0,0|1,0,1]=4 1709 B11R0.30 CC(=O)CCOCC#CC(=O)O ff2b1e3b735fffe6fd9d0108f4b39c8b [1,1,0,0,0,0|1,0,1]=4 1710 B11R0.30 CC(=O)CNCCCCC(C)C 3d35a05533fd3f24af80d939dcafa2e5 [1,1,0,0,0,0|1,0,1]=4 1711 B11R0.30 CC(=O)CNCCCCC(C)O 15573be76016b8f7bd0e839b5556feb2 [1,1,0,0,0,0|1,0,1]=4 1712 B11R0.30 CC(=O)CNCCCC[C@@H](C)O 873c419bc007215fffd2c2568d78654b [1,1,0,0,0,0|1,0,1]=4 1713 B11R0.30 CC(=O)COCCCCC(C)C d7852fa28391ec3ec73b1da98f42a6dc [1,1,0,0,0,0|1,0,1]=4 1714 B11R0.30 CC(=O)NCCCCCC(C)C 0c729d95049ba0127ccadd97d26dcf95 [1,1,0,0,0,0|1,0,1]=4 1715 B11R0.30 CC(C)CCCCNCC(=O)O 39a93d590261e532e6f29909d3f91c16 [1,1,0,0,0,0|1,0,1]=4 1716 B11R0.30 CC(C)CCCCOCC(=O)O 11166f2d7cea686a04aab0f10eb2bc17 [1,1,0,0,0,0|1,0,1]=4 1717 B11R0.30 CC(C)CCNCC#CC(=O)N cad35c4f4c9ba1eaccf8905961e3be40 [1,1,0,0,0,0|2,0,0]=4 1718 B11R0.30 CC(C)CCNCC#CC(=O)O 2f914b274e7785ae3d444ac2145b9ab1 [1,1,0,0,0,0|1,0,0]=3 1719 B11R0.30 CC(C)CCOCC#CC(=O)O 73bb66d65d616bd0c768a8606daf29c2 [1,1,0,0,0,0|1,0,0]=3 1720 B11R0.30 CC(C)COCCC#CC(=O)O 0a0142cde6f38a688002082bcda28005 [1,1,0,0,0,0|1,0,0]=3 1721 B11R0.30 CC(C)OCNCC#CC(=O)O 0edaabae75c7bf740d5a357ac288df71 [1,1,0,0,0,0|2,0,0]=4 1722 B11R0.30 CC(C)OCOCC#CC(=O)O a18c98022470c64d4e71a95fa432f962 [1,1,0,0,0,0|2,0,0]=4 1723 B11R0.30 CC(O)CCCCNCC(=O)O 8ace7019a75bd4e3f2fa1cdb39804ad3 [1,1,0,0,0,0|1,0,1]=4 1724 B11R0.30 CC(O)CCNCC#CC(=O)N 317fd7dfd243db92942faf4024374c8c [1,1,0,0,0,0|2,0,0]=4 1725 B11R0.30 CC(O)CCNCC#CC(=O)O 7905fd719dce0bcc9d41ac2a0c3c371c [1,1,0,0,0,0|1,0,0]=3 1726 B11R0.30 CN(C)CCNCC#CC(=O)O eaba7a15eccce37eb8fac553498a8089 [1,1,0,0,0,0|2,0,0]=4 1727 B11R0.30 CN(C)CCOCC#CC(=O)O 5bdc3072c292d662f5b877d260f10bf5 [1,1,0,0,0,0|2,0,0]=4 1728 B11R0.30 CN(C)COCCC#CC(=O)O 668978084de444eee1b0e19aa34488c5 [1,1,0,0,0,0|2,0,0]=4 1729 B11R0.30 CS(=O)CCNCC#CC(=O)O ccc15e3976b41295293b0dc50121f0f9 [1,1,0,0,0,0|2,0,0]=4 1730 B11R0.30 CS(=O)CCOCC#CC(=O)O 7f9feda6146eaec9f29e9f1d4b61fae0 [1,1,0,0,0,0|2,0,0]=4 1731 B11R0.30 C[C@@H](O)CCCCNCC(=O)O 383e38e7bfaf5340113526b5bf38e00f [1,1,0,0,0,0|1,0,1]=4 1732 B11R0.30 O=C(O)C#CCCOCC(F)F 6094bd414e383133d771631e8e7f88db [1,1,0,0,0,0|2,0,0]=4 1733 B11R0.42 CCCCCCCN(C)C(=O)C 1f4b637e30d478d227f74fe9a9d54418 [1,1,0,0,0,0|1,0,1]=4 1734 B11R0.42 CCCCCCNC(=O)C(=O)C b07a5b70d65808d226682db1c7b04c9b [1,1,0,0,0,0|1,0,1]=4 1735 B11R0.42 CCCCCCNC(C)C(=O)C 7e4aea5d747cb726d6c6aeddee61064c [1,1,0,0,0,0|1,0,1]=4 1736 B11R0.42 CCCCCCNC(C)C(=O)O 50bfa12bfc8c95b1997dd92553c2e32b [1,1,0,0,0,0|1,0,1]=4 1737 B11R0.42 CCCCCCNC(O)C(=O)O d5631789bd7704646a19262486df8915 [1,1,0,0,0,0|1,0,1]=4 1738 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 395de785801e54e5b92d8ae30cfb56de [1,1,0,0,0,0|1,0,1]=4 1739 B11R0.42 CCCCCCN[C@H](C)C(=O)O 49da1238680c9629cec61a676283fa13 [1,1,0,0,0,0|1,0,1]=4 1740 B11R0.42 CCCCCCOC(C)C(=O)C 3bdd6256cac5c3ad22aec5aadbdcce6a [1,1,0,0,0,0|1,0,1]=4 1741 B11R0.42 CCCCCCOC(C)C(=O)O ba21e8aa3b32a1583572a63691edc513 [1,1,0,0,0,0|1,0,1]=4 1742 B11R0.42 CCCCCCOC(F)C(=O)O 6513d7d3184867dd4d6531ac1435f34c [1,1,0,0,0,0|1,0,1]=4 1743 B11R0.42 CCCCCCO[C@@H](C)C(=O)O 71ae583b09335f51d5b93320f22a9636 [1,1,0,0,0,0|1,0,1]=4 1744 B11R0.42 CCCCCCO[C@@H](F)C(=O)O bc9bab01eee21fa811102268d0d068e6 [1,1,0,0,0,0|1,0,1]=4 1745 B11R0.42 CCCCCCO[C@H](C)C(=O)O 30eec93387a99e6543ce01b336b219ad [1,1,0,0,0,0|1,0,1]=4 1746 B11R0.46 CCCCCC(C)NCC(=O)C 3b744ffccb982ef0751d36a0d377f99f [1,1,0,0,0,0|1,0,1]=4 1747 B11R0.46 CCCCCC(C)NCC(=O)O 1bfdcef2296e34b5c0fe308e42cf1372 [1,1,0,0,0,0|1,0,1]=4 1748 B11R0.46 CCCCCC(C)OCC(=O)C f5ec04e321ea7339d1ec164595b99541 [1,1,0,0,0,0|1,0,1]=4 1749 B11R0.46 CCCCCC(C)OCC(=O)O 57324f0b00c57fa34b0ceda6a018e6d9 [1,1,0,0,0,0|1,0,1]=4 1750 B11R0.46 CCCCC[C@@H](C)OCC(=O)O 977fea29395a7a8bfc512e7fc52361b2 [1,1,0,0,0,0|1,0,1]=4 1751 B11R0.46 CCCCC[C@H](C)NCC(=O)C 2180a0169e98281e3cac31743e458333 [1,1,0,0,0,0|1,0,1]=4 1752 B11R0.46 CCCCC[C@H](C)NCC(=O)O 0380343a2030d4f567471addb377c0f8 [1,1,0,0,0,0|1,0,1]=4 1753 B11R0.46 CCCCC[C@H](C)OCC(=O)C 96ee3e27225025e413cc06c320c2b0ba [1,1,0,0,0,0|1,0,1]=4 1754 B11R0.46 CCCCC[C@H](C)OCC(=O)O 2b403272079d6041b1d247155ecbff7c [1,1,0,0,0,0|1,0,1]=4 1755 B11R0.111 C=C(CC)CNCC#CC(=O)O a3108996f90b136bfa8aa358dd063c61 [1,1,0,0,0,0|1,0,1]=4 1756 B11R0.111 C=C(CC)COCC#CC(=O)O 8da87f4a5376381c84dd796414d68799 [1,1,0,0,0,0|1,0,1]=4 1757 B11R0.111 CC(CO)CNCC#CC(=O)O 63933a2621eb0387c536dc0d20a4cc74 [1,1,0,0,0,0|2,0,0]=4 1758 B11R0.111 CCC(=O)CNCC#CC(=O)O d97e0d7cc2b375e547a1c4befc9cf5e8 [1,1,0,0,0,0|1,0,1]=4 1759 B11R0.111 CCC(=O)COCC#CC(=O)O e2bbbebc097f61f6bba6bc47cb3bf04d [1,1,0,0,0,0|1,0,1]=4 1760 B11R0.111 CCC(C)CCCOCC(=O)O 0499bf36e08b4b6291cbe67911409c42 [1,1,0,0,0,0|1,0,1]=4 1761 B11R0.111 CCC(C)CNCC#CC(=O)N 8226c5f97564ea3582ded36a714079a9 [1,1,0,0,0,0|2,0,0]=4 1762 B11R0.111 CCC(C)CNCC#CC(=O)O fff9193d071e322ca90592fd8352d155 [1,1,0,0,0,0|1,0,0]=3 1763 B11R0.111 CCC(C)COCC#CC(=O)O 8b0ed2ff87e7a9365ca91991ee518680 [1,1,0,0,0,0|1,0,0]=3 1764 B11R0.111 CCC(C)OCCC#CC(=O)O 5d00880ed7c7e7ee89b5219d541746b2 [1,1,0,0,0,0|1,0,0]=3 1765 B11R0.111 CCC(O)CNCC#CC(=O)N 00587ddc8efabf5b257c6c72eae4730a [1,1,0,0,0,0|2,0,0]=4 1766 B11R0.111 CCC(O)CNCC#CC(=O)O a914f55d2769084b067d43184c1f9691 [1,1,0,0,0,0|1,0,0]=3 1767 B11R0.111 CC[C@@H](C)CNCC#CC(=O)N cf9408da27cafc27842d8d45712165ae [1,1,0,0,0,0|2,0,0]=4 1768 B11R0.111 CC[C@@H](C)CNCC#CC(=O)O 0da715f11cd5392ccba55e94d9cbf1ce [1,1,0,0,0,0|1,0,0]=3 1769 B11R0.111 CC[C@@H](C)COCC#CC(=O)O 5a22f443bcf108ef809033097e07fe1a [1,1,0,0,0,0|1,0,0]=3 1770 B11R0.111 CC[C@H](C)CCCOCC(=O)O 650fab3a57b034a98a3481ab37720e3e [1,1,0,0,0,0|1,0,1]=4 1771 B11R0.111 CC[C@H](C)CNCC#CC(=O)N c980e51c71a6622ec0a6d7783f69a632 [1,1,0,0,0,0|2,0,0]=4 1772 B11R0.111 CC[C@H](C)CNCC#CC(=O)O 1cfe8ea8fbd5887d5cb24430726f24aa [1,1,0,0,0,0|1,0,0]=3 1773 B11R0.111 CC[C@H](C)COCC#CC(=O)O 7c7282d276ac05d7d5f98097ebc4ca65 [1,1,0,0,0,0|1,0,0]=3 1774 B11R0.111 COC(C)CNCC#CC(=O)O 5f4c13ec2904fdf2e6a3a35edbc5c046 [1,1,0,0,0,0|2,0,0]=4 1775 B11R0.111 COC(C)COCC#CC(=O)O 390859a05eb34cdfcd9d37cac111be42 [1,1,0,0,0,0|2,0,0]=4 1776 B11R0.111 CO[C@@H](C)CNCC#CC(=O)O c69f4f21a50c0c2f0025b11e4b06f6a9 [1,1,0,0,0,0|2,0,0]=4 1777 B11R0.111 CO[C@@H](C)COCC#CC(=O)O e2ed2b42f00fec13969fb4e3bf41d4a6 [1,1,0,0,0,0|2,0,0]=4 1778 B11R0.111 CO[C@H](C)CNCC#CC(=O)O 4bd2e4ec83472ec63d928245721d0521 [1,1,0,0,0,0|2,0,0]=4 1779 B11R0.111 CO[C@H](C)COCC#CC(=O)O 54207638dddc5c25b480a174726172f6 [1,1,0,0,0,0|2,0,0]=4 1780 B11R0.111 C[C@@H](CO)CNCC#CC(=O)O dcd537b75cf00508c8fa614413339772 [1,1,0,0,0,0|2,0,0]=4 1781 B11R0.111 C[C@H](CO)CNCC#CC(=O)O c226d8558ac5cf083a7694a2981f1ea7 [1,1,0,0,0,0|2,0,0]=4 1782 B11R0.111 O=C(O)C#CCNCC(O)CF ac7ffada1b92ecf1d49b2593bd85fe16 [1,1,0,0,0,0|2,0,0]=4 1783 B11R0.111 O=C(O)C#CCNCC(O)CO 3e31c4851b9a6f542c5b55db84b7fa9f [1,1,0,0,0,0|2,0,0]=4 1784 B11R0.111 O=C(O)C#CCNC[C@@H](O)CO faaa3a27e17dd164678458c9c8aa2a6a [1,1,0,0,0,0|2,0,0]=4 1785 B11R0.111 O=C(O)C#CCNC[C@H](O)CO 6786f7d8cb116d851f60504e1f3e296b [1,1,0,0,0,0|2,0,0]=4 1786 B11R0.111 O=C(O)C#CCOCC(O)CO 27b1165f27684a31ff3c4e033d0c1279 [1,1,0,0,0,0|2,0,0]=4 1787 B11R0.111 O=C(O)C#CCOC[C@@H](O)CO 6e8a28327ef6696139aa791b0b5444c2 [1,1,0,0,0,0|2,0,0]=4 1788 B11R0.111 O=C(O)C#CCOC[C@H](O)CO 607e03cf7e71f391c7e6fd3a152ef35c [1,1,0,0,0,0|2,0,0]=4 1789 B11R0.147 CCCCC(C)COCC(=O)O 9ef64333eda5ab77446d850437b4b702 [1,1,0,0,0,0|1,0,1]=4 1790 B11R0.147 CCCCC(O)CNCC(=O)O 12d23a216214115c26b91a124bcfe6f6 [1,1,0,0,0,0|1,0,1]=4 1791 B11R0.148 C#CCCCNCC#CC(=O)O 2fc704a22bc3ae017935bbfbb83eb5e8 [1,1,0,0,0,0|0,0,2]=4 1792 B11R0.148 C#CCCCOCC#CC(=O)O 36991b8c29304f26f3a8fa49d926793b [1,1,0,0,0,0|0,0,2]=4 1793 B11R0.148 C#CCCOCCC#CC(=O)O 7e083cb444d1546a9f4591f44e8aa071 [1,1,0,0,0,0|0,0,2]=4 1794 B11R0.148 C/C=C/COCCC#CC(=O)O 536e8a53a1bfcc82f2b5e6fef0e328cd [1,1,0,0,0,0|0,0,2]=4 1795 B11R0.148 C/C=C\COCCC#CC(=O)O 694c3201a0521a2f2c84c36dfa70b30b [1,1,0,0,0,0|0,0,2]=4 1796 B11R0.148 C=CCCCNCC#CC(=O)O 85155c6b209886ac0090f9d6d317fb46 [1,1,0,0,0,0|0,0,2]=4 1797 B11R0.148 C=CCCCOCC#CC(=O)O 6d2b13baf3cacc144248ce24e10ed641 [1,1,0,0,0,0|0,0,2]=4 1798 B11R0.148 C=CCCOCCC#CC(=O)O b57ff59411fab0a6f532e6d94b16176e [1,1,0,0,0,0|0,0,2]=4 1799 B11R0.148 CC(=O)CNCCCCCCF e5220e4b1eb66b48d5fb2be647d0f093 [1,1,0,0,0,0|1,0,1]=4 1800 B11R0.148 CC(=O)CNCCCCCCO 5ae8b5dcf45a271724ef32cc715e5de7 [1,1,0,0,0,0|1,0,1]=4 1801 B11R0.148 CC(=O)COCCCCCCF f9ddf83656d1768dec73eb1308c462ef [1,1,0,0,0,0|1,0,1]=4 1802 B11R0.148 CC(=O)NCCCCCCCO 375247c5b76fff4f96757dfebee6b6e0 [1,1,0,0,0,0|1,0,1]=4 1803 B11R0.148 CC/C=C/CNCC#CC(=O)O 70cecb159a7cd3c183a2827630bc9588 [1,1,0,0,0,0|0,0,2]=4 1804 B11R0.148 CC/C=C/COCC#CC(=O)O 10d8a52ec5c005e82216cdb23ec25ba6 [1,1,0,0,0,0|0,0,2]=4 1805 B11R0.148 CCCCCCCCNC(=O)C 9209ef01a8d3ac54b45708fef3a289cf [1,1,0,0,0,0|0,0,2]=4 1806 B11R0.148 CCCCCCCNCC(=O)C ac5ad78030b2337dde4637cf4e637be8 [1,1,0,0,0,0|0,0,2]=4 1807 B11R0.148 CCCCCCCNCC(=O)O 604ac707776db9c80f9dbe81aba07aab [1,1,0,0,0,0|0,0,2]=4 1808 B11R0.148 CCCCCCCOCC(=O)C dc592c317774d5dcca7353cd0379c413 [1,1,0,0,0,0|0,0,2]=4 1809 B11R0.148 CCCCCCCOCC(=O)O 2e9c1bc97c278d8f4eec0fc057b4f886 [1,1,0,0,0,0|0,0,2]=4 1810 B11R0.148 CCCCCCNCCC(=O)C dae7d5a91b1ed61fc00f967bfae50950 [1,1,0,0,0,0|0,0,2]=4 1811 B11R0.148 CCCCCCNCCC(=O)O 8d33e817dab78094c47164cc7392c6c0 [1,1,0,0,0,0|0,0,2]=4 1812 B11R0.148 CCCCCCNCOC(=O)C 1c1a5627acb6c3fcacc91b183f2cb953 [1,1,0,0,0,0|1,0,1]=4 1813 B11R0.148 CCCCCCOCCC(=O)C ba6ca6ffd5fb9c6cc4e8d129cf77ebb5 [1,1,0,0,0,0|0,0,2]=4 1814 B11R0.148 CCCCCCOCCC(=O)O 4717319825633e38fbcaeec5411785fc [1,1,0,0,0,0|0,0,2]=4 1815 B11R0.148 CCCCCCOCNC(=O)C 821b7a0837138668b121aff777d67519 [1,1,0,0,0,0|1,0,1]=4 1816 B11R0.148 CCCCCCOCOC(=O)C 7357a2b41ac7b5a18efb5ca4e2678b36 [1,1,0,0,0,0|1,0,1]=4 1817 B11R0.148 CCCCCNC/C=C/C(=O)O b8046f0d80c9ff3885cdfa6c42d71162 [1,1,0,0,0,0|0,0,2]=4 1818 B11R0.148 CCCCCNCC#CC(=O)N 376dd1e39d87aad7056cf0734caa30f5 [1,1,0,0,0,0|1,0,0]=3 1819 B11R0.148 CCCCCNCC#CC(=O)O aed9235485305f99eb505497ed25180e [1,1,0,0,0,0|0,0,0]=2 1820 B11R0.148 CCCCCNCC=CC(=O)O 58813a84cba492cefaaec0f7c2af3ed6 [1,1,0,0,0,0|0,0,2]=4 1821 B11R0.148 CCCCCNCCCC(=O)C ae79e8ea156a5e770911e0ef57b141fd [1,1,0,0,0,0|0,0,2]=4 1822 B11R0.148 CCCCCNCCCC(=O)O ce92314d02facc18c8164866ccc58acb [1,1,0,0,0,0|0,0,2]=4 1823 B11R0.148 CCCCCNCCNC(=O)C 7ff8c0f5354f73956142fbe6902b9879 [1,1,0,0,0,0|1,0,1]=4 1824 B11R0.148 CCCCCNCCOC(=O)C 729f700d5178f65d822ba15d79799d97 [1,1,0,0,0,0|1,0,1]=4 1825 B11R0.148 CCCCCNCCSC(=O)C d915aac4f03ed25f4f02a1b6cd47cc5d [1,1,0,0,0,0|1,0,1]=4 1826 B11R0.148 CCCCCOC/C=C/C(=O)O 3d3460a3a6eee12116378f2de4d92d1f [1,1,0,0,0,0|0,0,2]=4 1827 B11R0.148 CCCCCOCC#CC(=O)O 5c208b4c2dc6a197983d39a5def0aeed [1,1,0,0,0,0|0,0,0]=2 1828 B11R0.148 CCCCCOCC=CC(=O)O ac6921bf081433b1f8d6059fbeb527c4 [1,1,0,0,0,0|0,0,2]=4 1829 B11R0.148 CCCCCOCCCC(=O)C 2d5fb2796be532f83de2b588a833a781 [1,1,0,0,0,0|0,0,2]=4 1830 B11R0.148 CCCCCOCCNC(=O)C 89e6bc94e5e2df2872af87ea20002aa7 [1,1,0,0,0,0|1,0,1]=4 1831 B11R0.148 CCCCCOCCOC(=O)C ce892e28021cd219f16b0c1b93f354de [1,1,0,0,0,0|1,0,1]=4 1832 B11R0.148 CCCCCOCCSC(=O)C 381130fac5641be83bacac00ee2d726c [1,1,0,0,0,0|1,0,1]=4 1833 B11R0.148 CCCCNCCCCC(=O)C 544c9e2e2e33eb4d7d7343bae90cd58e [1,1,0,0,0,0|0,0,2]=4 1834 B11R0.148 CCCCNCCCCC(=O)O db2891a1a49d26c3dd9a356095c13ecb [1,1,0,0,0,0|0,0,2]=4 1835 B11R0.148 CCCCNCCCNC(=O)C 6d0de7a58670364332bd2c26e8ee7cdd [1,1,0,0,0,0|1,0,1]=4 1836 B11R0.148 CCCCNCCCOC(=O)C 7853525c1345bc50778fe7631411e66c [1,1,0,0,0,0|1,0,1]=4 1837 B11R0.148 CCCCNCCCSC(=O)C db939ed2d8d03cfa10c8f82ccb5505ff [1,1,0,0,0,0|1,0,1]=4 1838 B11R0.148 CCCCNCCOCC(=O)O c3ef0b6e39b500596a34f8201361fc3a [1,1,0,0,0,0|1,0,1]=4 1839 B11R0.148 CCCCNCCSCC(=O)O 19c0aa25c2747ad4736c5abc66ee689c [1,1,0,0,0,0|1,0,1]=4 1840 B11R0.148 CCCCOCCC#CC(=O)O 74d0efe4ad55f9a50fc1408fe4f834e6 [1,1,0,0,0,0|0,0,0]=2 1841 B11R0.148 CCCCOCCCCC(=O)C a62f0819767c2537c037059a9981780c [1,1,0,0,0,0|0,0,2]=4 1842 B11R0.148 CCCCOCCCCC(=O)O 00e520501e14c3e825ffc7300146a3fe [1,1,0,0,0,0|0,0,2]=4 1843 B11R0.148 CCCCOCCCNC(=O)C 14281244af5a76ea832226605fbb85e4 [1,1,0,0,0,0|1,0,1]=4 1844 B11R0.148 CCCCOCCCOC(=O)C 477c462ef377d29beb78f95f82bb25eb [1,1,0,0,0,0|1,0,1]=4 1845 B11R0.148 CCCCOCCCSC(=O)C 614b19a166ecdbfad1b2d0cb89ad3484 [1,1,0,0,0,0|1,0,1]=4 1846 B11R0.148 CCCCOCCNCC(=O)C 223e03f8df314d1ffe7fa22f1e699f9f [1,1,0,0,0,0|1,0,1]=4 1847 B11R0.148 CCCCOCCNCC(=O)O 5e535394d6f535f6322b79b8b1a838be [1,1,0,0,0,0|1,0,1]=4 1848 B11R0.148 CCCCOCCOCC(=O)C a1059fc843b2eaa33e87055a6bc4e6be [1,1,0,0,0,0|1,0,1]=4 1849 B11R0.148 CCCCOCCOCC(=O)O f3952d347bddfc2dfd656d051a77ceb9 [1,1,0,0,0,0|1,0,1]=4 1850 B11R0.148 CCCCSCCOCC(=O)O ac797cbb248e6531ce12e2e37d4432b3 [1,1,0,0,0,0|1,0,1]=4 1851 B11R0.148 CCCNCCCCCC(=O)C 354cff2ef02214f278274b1186349715 [1,1,0,0,0,0|0,0,2]=4 1852 B11R0.148 CCCNCCCCCC(=O)O 040617eb9e641e6c46ed6e1b925655c5 [1,1,0,0,0,0|0,0,2]=4 1853 B11R0.148 CCCNCCCCNC(=O)C afc7cb87fbf2cd12eb8fe76075788aed [1,1,0,0,0,0|1,0,1]=4 1854 B11R0.148 CCCNCCCCOC(=O)C 5de6dd97eb13f02e3674c0a89f759217 [1,1,0,0,0,0|1,0,1]=4 1855 B11R0.148 CCCNCCCCSC(=O)C e67c14e897e8fe6720f2feb7de9105a1 [1,1,0,0,0,0|1,0,1]=4 1856 B11R0.148 CCCNCCCOCC(=O)O 0fe8426b6f63ee30bea77f979722006c [1,1,0,0,0,0|1,0,1]=4 1857 B11R0.148 CCCOCCCCCC(=O)C a9dd639cc488907d7b3255974d45f633 [1,1,0,0,0,0|0,0,2]=4 1858 B11R0.148 CCCOCCCCCC(=O)O fa333152e0beffd56620c1d14609917b [1,1,0,0,0,0|0,0,2]=4 1859 B11R0.148 CCCOCCCCOC(=O)C 76d456e7ca4c7cd8d390c54bbbefcd78 [1,1,0,0,0,0|1,0,1]=4 1860 B11R0.148 CCCOCCCCSC(=O)C 369c27db8c9be1ed6dd5c9b10da52191 [1,1,0,0,0,0|1,0,1]=4 1861 B11R0.148 CCCOCCCNCC(=O)C 4d98936bd08942b43acf72033a9b2c2f [1,1,0,0,0,0|1,0,1]=4 1862 B11R0.148 CCCOCCCNCC(=O)O 295a16ed1d6368a92e0dacd0d6a7c9c0 [1,1,0,0,0,0|1,0,1]=4 1863 B11R0.148 CCCOCCCOCC(=O)C 809ccbc1f7a0704a8f6d3af11b40fcaf [1,1,0,0,0,0|1,0,1]=4 1864 B11R0.148 CCCOCCCOCC(=O)O 1f8662db2650bfb91265d5551bc7d84a [1,1,0,0,0,0|1,0,1]=4 1865 B11R0.148 CCCSCCCCNC(=O)C b995a956a32500c52f19eeccf108b053 [1,1,0,0,0,0|1,0,1]=4 1866 B11R0.148 CCNCCCCCCC(=O)O e9a5c8afc11b12a621b1b3a6781fbc3e [1,1,0,0,0,0|0,0,2]=4 1867 B11R0.148 CCNCCCCCNC(=O)C 73d4870ba672365fcc36e846ca9b99bb [1,1,0,0,0,0|1,0,1]=4 1868 B11R0.148 CCOCCCCCCC(=O)O c60be55443aee57331a1445b50b93edc [1,1,0,0,0,0|0,0,2]=4 1869 B11R0.148 CCOCCNCC#CC(=O)N 888740d46b9e4df6db6e1a9bc5b5b116 [1,1,0,0,0,0|2,0,0]=4 1870 B11R0.148 CCOCCNCC#CC(=O)O ab87646df8347e07fb2eddeffc2bc2c6 [1,1,0,0,0,0|1,0,0]=3 1871 B11R0.148 CCOCCOCC#CC(=O)O 1c4e216c7423b8dc47d757c037ff9583 [1,1,0,0,0,0|1,0,0]=3 1872 B11R0.148 CCOCOCCC#CC(=O)O 9480244700cd5cbec0d9a69576ca14ca [1,1,0,0,0,0|1,0,0]=3 1873 B11R0.148 CCSCCCCNCC(=O)O 48d23c14c94084e7bff45772097aafd6 [1,1,0,0,0,0|1,0,1]=4 1874 B11R0.148 CCSCCNCC#CC(=O)N 5cdfc70b3888d863651186ebf681717a [1,1,0,0,0,0|2,0,0]=4 1875 B11R0.148 CCSCCNCC#CC(=O)O 3e57d42b794377aaa7da61034dcd7d0a [1,1,0,0,0,0|1,0,0]=3 1876 B11R0.148 CCSCCOCC#CC(=O)O cae7eadf55c734e52922ab8f3a426cb0 [1,1,0,0,0,0|1,0,0]=3 1877 B11R0.148 COCCCCCNCC(=O)C f14a0e7c6184fb994195ce1a50edd828 [1,1,0,0,0,0|1,0,1]=4 1878 B11R0.148 COCCCCCNCC(=O)O e9d365c9b641bfa544654729405f2968 [1,1,0,0,0,0|1,0,1]=4 1879 B11R0.148 COCCCCCOCC(=O)C d37277e1c0f5be693f57271e9f1f4394 [1,1,0,0,0,0|1,0,1]=4 1880 B11R0.148 COCCCCCOCC(=O)O 2ece8647978153469dc704b17fef017d [1,1,0,0,0,0|1,0,1]=4 1881 B11R0.148 COCCCNCC#CC(=O)N 50977c5985eb990ec7265fb0d7cda78c [1,1,0,0,0,0|2,0,0]=4 1882 B11R0.148 COCCCNCC#CC(=O)O 6e16ba501fada04748f9d21fc0f53edc [1,1,0,0,0,0|1,0,0]=3 1883 B11R0.148 COCCCOCC#CC(=O)O 1d5efceab99816318884070aedcd0873 [1,1,0,0,0,0|1,0,0]=3 1884 B11R0.148 COCCOCCC#CC(=O)O 10f10eaf86d8fbfa2b9b7c01d60c21f6 [1,1,0,0,0,0|1,0,0]=3 1885 B11R0.148 CSCCCNCC#CC(=O)N 34ae6a78c49b488f7ee0c01d0e208f76 [1,1,0,0,0,0|2,0,0]=4 1886 B11R0.148 CSCCCNCC#CC(=O)O 18eb40cdd2b3b013a96a5299191fe72d [1,1,0,0,0,0|1,0,0]=3 1887 B11R0.148 CSCCCOCC#CC(=O)O a8e5f9e68dcd047543bd2f76486130ee [1,1,0,0,0,0|1,0,0]=3 1888 B11R0.148 CSCCOCCC#CC(=O)O 94754363d9fd2f09828e736e8ba8f23e [1,1,0,0,0,0|1,0,0]=3 1889 B11R0.148 N#CCCCNCC#CC(=O)O a638fe681ce60133492fa04316e0298c [1,1,0,0,0,0|1,0,1]=4 1890 B11R0.148 N#CCCCOCC#CC(=O)O 9a477aa18302c0cca73e77bfe2965e74 [1,1,0,0,0,0|1,0,1]=4 1891 B11R0.148 N#CCCOCCC#CC(=O)O bb7246c5842d3dda41ef9a07aefbba02 [1,1,0,0,0,0|1,0,1]=4 1892 B11R0.148 NC(=O)C#CCNCCCCF f5bc57de4e767513e4d2a0df2bd97bfd [1,1,0,0,0,0|2,0,0]=4 1893 B11R0.148 NC(=O)C#CCNCCCCO 4e5ce2981ea4367a04c06d0beb03bb45 [1,1,0,0,0,0|2,0,0]=4 1894 B11R0.148 O=C(O)C#CCCOCCCF 09e8201f6a4330ce1d0f6b8c332997ed [1,1,0,0,0,0|1,0,0]=3 1895 B11R0.148 O=C(O)C#CCCOCCCS 5e6ac1a283f31a4fd8181a75ab632281 [1,1,0,0,0,0|1,0,0]=3 1896 B11R0.148 O=C(O)C#CCNCCCCF c1bcb694da981a0c8f70b99a6d94fbb3 [1,1,0,0,0,0|1,0,0]=3 1897 B11R0.148 O=C(O)C#CCNCCCCO 1950808cdbf80c86ca07802118033cb6 [1,1,0,0,0,0|1,0,0]=3 1898 B11R0.148 O=C(O)C#CCOCCCCF 7fb6e349aabdb2cf44121b2c104e0609 [1,1,0,0,0,0|1,0,0]=3 1899 B11R0.148 O=C(O)CNCCCCCCCl dc32a566986ba7b34107464790e296cc [1,1,0,0,0,0|1,0,1]=4 1900 B11R0.148 O=C(O)CNCCCCCCF bce3f1514075f3d2f8204865ec56aef1 [1,1,0,0,0,0|1,0,1]=4 1901 B11R0.148 O=C(O)CNCCCCCCO d2379b6809e52a0c5093502cf3d19ff8 [1,1,0,0,0,0|1,0,1]=4 1902 B11R0.148 O=C(O)COCCCCCCF 225eb71627e39626696c7d9cbf9693d6 [1,1,0,0,0,0|1,0,1]=4 1903 B11R0.148 O=C(O)COCCCCCCS af996bea4ab4a7edbee11c3b6236257b [1,1,0,0,0,0|1,0,1]=4 1904 B11R0.148 O=CCCCNCC#CC(=O)O 9444d0928715736fa84da667f442063d [1,1,0,0,0,0|1,0,1]=4 1905 B11R0.148 O=CCCCOCC#CC(=O)O 44458330f9465f52d740c55bf1ea841d [1,1,0,0,0,0|1,0,1]=4 1906 B11R0.148 O=CCCOCCC#CC(=O)O b71b58011cc1bb4c18b7cfb334df8781 [1,1,0,0,0,0|1,0,1]=4 1907 B11R0.176 CC(CCO)NCC#CC(=O)O 11302979866d3eb4375bf4c66c7e9c69 [1,1,0,0,0,0|2,0,0]=4 1908 B11R0.176 CCCC(C)CCOCC(=O)O 58d54a522ab047b6bc16c21f6d8fc26f [1,1,0,0,0,0|1,0,1]=4 1909 B11R0.176 CCCC(C)NCC#CC(=O)N ca46c4caf0746736915d950dd4462889 [1,1,0,0,0,0|2,0,0]=4 1910 B11R0.176 CCCC(C)NCC#CC(=O)O 64d629a8cb0701d289447f91d8ab2873 [1,1,0,0,0,0|1,0,0]=3 1911 B11R0.176 CCCC(C)OCC#CC(=O)O 35df26925b2b0374bc80c7b7f8aff49a [1,1,0,0,0,0|1,0,0]=3 1912 B11R0.176 CCCC(S)CCOCC(=O)O 82e8413d3a62e6cdf39de4a52bb4d7db [1,1,0,0,0,0|1,0,1]=4 1913 B11R0.176 COCC(C)NCC#CC(=O)O 2e3b568a2c24e12d2e0865969ad82fc9 [1,1,0,0,0,0|2,0,0]=4 1914 B11R0.176 COCC(C)OCC#CC(=O)O 8ee698a1508c9f52cb914f23d55c6ac7 [1,1,0,0,0,0|2,0,0]=4 1915 B11R0.3 CC=CC#CCCOCCCC 0ae27189e3b3b0d3f2d3bea2f00e6640 [1,1,0,0,0,0|1,0,0]=3 1916 B11R0.3 CC=CC#CCCOCCCF 4ed7c2a0d8b8010493a21d932358e466 [1,1,0,0,0,0|2,0,0]=4 1917 B11R0.3 CC=CC#CCCOCCCS 7091adf897b5132afb2cad3541acc5e6 [1,1,0,0,0,0|2,0,0]=4 1918 B11R0.3 CC=CC#CCCOCCOC 1c7e2cf7c43f89c9cb9e653a21dfd282 [1,1,0,0,0,0|2,0,0]=4 1919 B11R0.3 CC=CC#CCCOCCSC 011ca35041565b00f2d37a9cd6a6b9b4 [1,1,0,0,0,0|2,0,0]=4 1920 B11R0.3 CC=CC#CCCOCOCC db94207a401ad7b0f760bdedf9822507 [1,1,0,0,0,0|2,0,0]=4 1921 B11R0.3 CCCC#CCCOCCCC 5dd77899fa2630c12a317b7aa0e40741 [1,1,0,0,0,0|1,0,1]=4 1922 B11R0.3 CCCC#CCOCCCCC 294532da1ff01764bd0073793a3e09a3 [1,1,0,0,0,0|1,0,1]=4 1923 B11R0.3 CCCCCCC#CCOCC 66416f698d2466e906aa210fab2adadb [1,1,0,0,0,0|0,0,1]=3 1924 B11R0.3 CCCCCCC#CCOCF 8d1544f371eed685345ad3ec4f01a80f [1,1,0,0,0,0|0,0,1]=3 1925 B11R0.3 CCCCCNCC#CCOC da58aa4669a448ee9e7c02b3e1627093 [1,1,0,0,0,0|0,0,1]=3 1926 B11R0.3 CCCCCOCC#CCOC 672d19dae0e901aa77476f28f9ab98e6 [1,1,0,0,0,0|0,0,1]=3 1927 B11R0.3 CCOCCNCC#CCOC 133b9dfdb09716ba2baa167e948b193a [1,1,0,0,0,0|1,0,1]=4 1928 B11R0.3 CCOCCOCC#CCOC dfa25b91e465ffd1809ced24ea8954aa [1,1,0,0,0,0|1,0,1]=4 1929 B11R0.3 CCSCCNCC#CCOC 57436b641845f7c846a11ab7b1de6b4a [1,1,0,0,0,0|1,0,1]=4 1930 B11R0.3 CCSCCOCC#CCOC a184ce7d695ffe614149a4a02b9abc50 [1,1,0,0,0,0|1,0,1]=4 1931 B11R0.3 COCC#CCNCCCCCl 85755d6c758f7d88a60942cfbb4f3870 [1,1,0,0,0,0|1,0,1]=4 1932 B11R0.3 COCC#CCNCCCCO 73e58d4aeab4ccc0e6ddfe8bb1cd77dc [1,1,0,0,0,0|1,0,1]=4 1933 B11R0.3 COCC#CCNCCCCS 9390b7d0c3acab5403a8014cb52afa36 [1,1,0,0,0,0|1,0,1]=4 1934 B11R0.3 COCC#CCNCCCOC 009d247fd6996f3f94191f1fa499ae6c [1,1,0,0,0,0|1,0,1]=4 1935 B11R0.3 COCC#CCNCCCSC bbd45fc163750deba2fbcf56eb04e52f [1,1,0,0,0,0|1,0,1]=4 1936 B11R0.3 COCC#CCOCCCCF 93b3b3836b757ed1ca7e0c4547f6a38e [1,1,0,0,0,0|1,0,1]=4 1937 B11R0.3 COCC#CCOCCCCS d815389eecd64c1a71e6b2edbddd1bfb [1,1,0,0,0,0|1,0,1]=4 1938 B11R0.3 COCC#CCOCCCOC cce7d966dde619775eba68d8fb7739c0 [1,1,0,0,0,0|1,0,1]=4 1939 B11R0.3 COCC#CCOCCCSC f86040f382c0014fce45fa2284f400ff [1,1,0,0,0,0|1,0,1]=4 1940 B11R0.4 CCCC(C)NCC#CCOC 95c5c27c1799da54f83d2f506ba86107 [1,1,0,0,0,0|1,0,1]=4 1941 B11R0.4 CCC[C@H](C)NCC#CCOC 5f135e70d956ec3bd3afa66ed929b9d9 [1,1,0,0,0,0|1,0,1]=4 1942 B11R0.70 CCCCC(C)NCC(=O)OC dea370713a261b9db8561fcfadd7d635 [1,1,0,0,0,0|1,0,1]=4 1943 B11R0.70 CCCCC(C)OCC(=O)OC df4e5fb162716db8a526500670efe27c [1,1,0,0,0,0|1,0,1]=4 1944 B11R0.70 CCCCC(O)CNC(=O)CC a18614707b31b705fea3a9214509c6d7 [1,1,0,0,0,0|2,0,0]=4 1945 B11R0.70 CCCCN(C)CCC(=O)OC 1ad22cd2e476c7ec72932a232e75b1de [1,1,0,0,0,0|1,0,1]=4 1946 B11R0.70 CCCCN(C)COC(=O)OC cd7d2c3f82adbaf2330dfb58647703c3 [1,1,0,0,0,0|2,0,0]=4 1947 B11R0.70 CCCC[C@@H](C)NCC(=O)OC f9c205165d4d34d6b16662bb8057658f [1,1,0,0,0,0|1,0,1]=4 1948 B11R0.70 CCCC[C@@H](C)OCC(=O)OC d46ed4e6b264e4da227d681e0b482c0f [1,1,0,0,0,0|1,0,1]=4 1949 B11R0.70 CCCC[C@H](C)OCC(=O)OC 005217b48658963e7d8277039bb97993 [1,1,0,0,0,0|1,0,1]=4 1950 B11R0.70 CCCNC(C)CCC(=O)OC 9f30ac298e6a52d4146f18e020d85cfd [1,1,0,0,0,0|1,0,1]=4 1951 B11R0.70 CCCOC(C)CCC(=O)OC fb37d2dab98ad3681fa9792c014dd77f [1,1,0,0,0,0|1,0,1]=4 1952 B11R0.106 CCC(C)CCNCC(=O)OC 55546b48ad802d407e44efd0891c77f0 [1,1,0,0,0,0|1,0,1]=4 1953 B11R0.106 CCC(C)CCOCC(=O)OC 04047e6aa53caf612115bdc052389946 [1,1,0,0,0,0|1,0,1]=4 1954 B11R0.106 CCC(C)CNCCC(=O)OC abb2e914f35de9229c3647dd0ab6e8e1 [1,1,0,0,0,0|1,0,1]=4 1955 B11R0.106 CCC(C)CNCOC(=O)OC 1b5b4f97764d129d74a4b3c8fd6c387b [1,1,0,0,0,0|2,0,0]=4 1956 B11R0.106 CCC(C)COCCC(=O)OC 90b61ecf8b1a10b5e1864fc256b29965 [1,1,0,0,0,0|1,0,1]=4 1957 B11R0.106 CCC(C)COCOC(=O)OC 2bd8b4d2ed4c7f583c2eddbba855b125 [1,1,0,0,0,0|2,0,0]=4 1958 B11R0.106 CCC(C)NCC#CC(=O)OC fa246a2cd1093ac742da0891d430ad90 [1,1,0,0,0,0|1,0,0]=3 1959 B11R0.106 CCC(C)NCCCC(=O)OC d3018845f5d5d1bc753f56bd7f86b645 [1,1,0,0,0,0|1,0,1]=4 1960 B11R0.106 CCC(C)OCC#CC(=O)OC 8e7d48dfeb558e816082d2c1399f5312 [1,1,0,0,0,0|1,0,0]=3 1961 B11R0.106 CCC(C)OCCCC(=O)OC 73c7d02713528c817e16ae2787ad1215 [1,1,0,0,0,0|1,0,1]=4 1962 B11R0.106 CCC(C)OCCOC(=O)OC a61ba394d28b03b1b7a19d066f8dfa4b [1,1,0,0,0,0|2,0,0]=4 1963 B11R0.106 CCC(O)CNCCC(=O)OC b38b6679c77734006520557e7c6ace4e [1,1,0,0,0,0|1,0,1]=4 1964 B11R0.106 CCC(O)CNCOC(=O)OC ce4ae85bbfc243148577b25bcaa909b0 [1,1,0,0,0,0|2,0,0]=4 1965 B11R0.106 CCC(S)CCOCC(=O)OC b15bbffda571936636baf3572a7482de [1,1,0,0,0,0|1,0,1]=4 1966 B11R0.106 CCN(C)CCCCC(=O)OC 52951c911bfbe4f74e1d442046d437c9 [1,1,0,0,0,0|1,0,1]=4 1967 B11R0.106 CC[C@@H](C)CNCCC(=O)OC ec64ec2d2e85b9c539660c4fc4513db1 [1,1,0,0,0,0|1,0,1]=4 1968 B11R0.106 CC[C@@H](C)COCCC(=O)OC 6ff164d42b9941a665594c3d04a64d46 [1,1,0,0,0,0|1,0,1]=4 1969 B11R0.106 CC[C@@H](C)COCOC(=O)OC 18a298c9654de34ee80c48d13a4e3aba [1,1,0,0,0,0|2,0,0]=4 1970 B11R0.106 CC[C@@H](C)NCC#CC(=O)OC ad609f1d0101a8bce4b76492c7275294 [1,1,0,0,0,0|1,0,0]=3 1971 B11R0.106 CC[C@@H](C)NCCCC(=O)OC c5ab184a1828ac00951b4d5083f06f45 [1,1,0,0,0,0|1,0,1]=4 1972 B11R0.106 CC[C@@H](C)OCC#CC(=O)OC b5d0120fbb7a3352222af9978cb2fa2f [1,1,0,0,0,0|1,0,0]=3 1973 B11R0.106 CC[C@@H](C)OCCCC(=O)OC 20116c6b5ae76c3d034784de4d52563a [1,1,0,0,0,0|1,0,1]=4 1974 B11R0.106 CC[C@@H](O)CNCCC(=O)OC 2b9a1efddd0dfd6840a473b5cd7841e2 [1,1,0,0,0,0|1,0,1]=4 1975 B11R0.106 CC[C@@H](O)CNCOC(=O)OC 0969d147c74c9771132277dcbe54766f [1,1,0,0,0,0|2,0,0]=4 1976 B11R0.106 CC[C@H](C)CCOCC(=O)OC bb5d1b620636b82254ccbb745e5db12b [1,1,0,0,0,0|1,0,1]=4 1977 B11R0.106 CC[C@H](C)CNCCC(=O)OC 84a33ab53460ddd972a70034900a1ff5 [1,1,0,0,0,0|1,0,1]=4 1978 B11R0.106 CC[C@H](C)CNCOC(=O)OC 44ea9c74081a990712c8b549cd09454b [1,1,0,0,0,0|2,0,0]=4 1979 B11R0.106 CC[C@H](C)COCCC(=O)OC 26dc8fd9b69a8d4a68fc0b44e6101e06 [1,1,0,0,0,0|1,0,1]=4 1980 B11R0.106 CC[C@H](C)COCOC(=O)OC 280b327297b86b841ec4cc1075740686 [1,1,0,0,0,0|2,0,0]=4 1981 B11R0.106 CC[C@H](C)NCC#CC(=O)OC c21c1751954f51ba4decbeede90356d4 [1,1,0,0,0,0|1,0,0]=3 1982 B11R0.106 CC[C@H](C)NCCCC(=O)OC 0d31d63cb2fa99d2857eb1759def4d2d [1,1,0,0,0,0|1,0,1]=4 1983 B11R0.106 CC[C@H](C)OCC#CC(=O)OC f257b8f20d784f763e30be31d456b32d [1,1,0,0,0,0|1,0,0]=3 1984 B11R0.106 CC[C@H](C)OCCCC(=O)OC e611334dbefda70672866dae633c5dd0 [1,1,0,0,0,0|1,0,1]=4 1985 B11R0.106 COC(=O)C#CCNC(C)CO 78dd62304426165c5fe7f7edf82d1fcf [1,1,0,0,0,0|2,0,0]=4 1986 B11R0.106 COC(=O)C#CCN[C@@H](C)CO c6bc79d3cdbd4919e7070586d8ddaab5 [1,1,0,0,0,0|2,0,0]=4 1987 B11R0.106 COC(=O)C#CCN[C@H](C)CO ac170070c7831fc377dbb57bfe2a0957 [1,1,0,0,0,0|2,0,0]=4 1988 B11R0.106 COC(=O)C#CCOC(C)CF 5557b02c590886524d2c70086039b5aa [1,1,0,0,0,0|2,0,0]=4 1989 B11R0.106 COC(=O)C#CCOC(C)CS 22685c5804ab4d1d1f2df60689d7cc29 [1,1,0,0,0,0|2,0,0]=4 1990 B11R0.106 COC(=O)C#CCO[C@H](C)CS 67025f6dc148df28b93f7a56baa934fa [1,1,0,0,0,0|2,0,0]=4 1991 B11R0.142 C=C(CNCCCC)C(=O)OC 53c2de65fec0755bbe5ffc40b13b3a84 [1,1,0,0,0,0|1,0,1]=4 1992 B11R0.142 C=C(COCCCC)C(=O)OC 2670a0bb6e62b0bce720cea99a8bf9ce [1,1,0,0,0,0|1,0,1]=4 1993 B11R0.142 CCCCCCN(C)C(=O)CC c25fee109e3505330a0f823c56988e5a [1,1,0,0,0,0|2,0,0]=4 1994 B11R0.142 CCCCCNC(=O)C(=O)OC 8111b1e6fb8bd2a57b809499c8b8e317 [1,1,0,0,0,0|1,0,1]=4 1995 B11R0.142 CCCCCNC(C)C(=O)OC ceda658c32f2717705b5753d95254732 [1,1,0,0,0,0|1,0,1]=4 1996 B11R0.142 CCCCCN[C@@H](C)C(=O)OC a70c734a04042f9e2c29976744ca1db7 [1,1,0,0,0,0|1,0,1]=4 1997 B11R0.142 CCCCCN[C@H](C)C(=O)OC f83769fcf8a52442a99a180792631049 [1,1,0,0,0,0|1,0,1]=4 1998 B11R0.142 CCCCCOC(C)C(=O)OC c98b88bf4ee6dc23e9db5b7a644cb7b3 [1,1,0,0,0,0|1,0,1]=4 1999 B11R0.142 CCCCCO[C@@H](C)C(=O)OC afd8f96c1d28270745640effa22059a9 [1,1,0,0,0,0|1,0,1]=4 2000 B11R0.142 CCCCCO[C@H](C)C(=O)OC ed1b03b86456edaec6348184ff47bcfd [1,1,0,0,0,0|1,0,1]=4 2001 B11R0.142 CCCCNCC(=O)C(=O)OC d0af9a9a17c911307996c52c1b603cc9 [1,1,0,0,0,0|1,0,1]=4 2002 B11R0.142 CCCCNCC(C)C(=O)OC b484220b46772cd5124cefc21e4c9a4c [1,1,0,0,0,0|1,0,1]=4 2003 B11R0.142 CCCCNCC(O)C(=O)OC de1110f46b4655a9b052a8c63538b994 [1,1,0,0,0,0|1,0,1]=4 2004 B11R0.142 CCCCNC[C@@H](C)C(=O)OC 243d0086fa7de32e5aa01dd763cc94fa [1,1,0,0,0,0|1,0,1]=4 2005 B11R0.142 CCCCNC[C@H](C)C(=O)OC d5fd048b54b76c390e88c9c8f93fa500 [1,1,0,0,0,0|1,0,1]=4 2006 B11R0.142 CCCCOCC(=O)C(=O)OC a3b07f302c91d3009f4c5596fb58b4c0 [1,1,0,0,0,0|1,0,1]=4 2007 B11R0.142 CCCCOCC(C)C(=O)OC 2a428f13a16476db3c3646a1056d2697 [1,1,0,0,0,0|1,0,1]=4 2008 B11R0.142 CCCCOCC(F)C(=O)OC dcce8be3eb0b5248eab081b1171db910 [1,1,0,0,0,0|1,0,1]=4 2009 B11R0.142 CCCCOC[C@@H](C)C(=O)OC b94e575e56b960aca51d1d5ccfdeebf4 [1,1,0,0,0,0|1,0,1]=4 2010 B11R0.142 CCCCOC[C@H](C)C(=O)OC b41ada1bd4c1876a7499387b56903098 [1,1,0,0,0,0|1,0,1]=4 2011 B11R0.142 CCCNCCC(C)C(=O)OC 1c2ea45b264e72292927d13f97c0a2c0 [1,1,0,0,0,0|1,0,1]=4 2012 B11R0.142 CCCOCCC(C)C(=O)OC 16254c5922c3369c7e34436020a43f8f [1,1,0,0,0,0|1,0,1]=4 2013 B11R0.154 CCCCCC(C)NC(=O)CC bc630bcd14906e5f8a25eb9d61b6f9fa [1,1,0,0,0,0|2,0,0]=4 2014 B11R0.154 CCCCCN(C)CC(=O)OC 9a8201a1e606e55a693bfa48cb6672d4 [1,1,0,0,0,0|1,0,1]=4 2015 B11R0.154 CCCCC[C@H](C)NC(=O)CC 9adb0b9fb15364ba4605e72a32fe384f [1,1,0,0,0,0|2,0,0]=4 2016 B11R0.154 CCCCNC(C)CC(=O)OC fa0a764000a9fa6989a18b1eae03a3c4 [1,1,0,0,0,0|1,0,1]=4 2017 B11R0.154 CCCCNC(C)OC(=O)OC ddd35a307d138888f4e47c318dd0505d [1,1,0,0,0,0|2,0,0]=4 2018 B11R0.154 CCCCN[C@@H](C)CC(=O)OC 735f46185c40863ef0fb135ba67d45d5 [1,1,0,0,0,0|1,0,1]=4 2019 B11R0.154 CCCCN[C@H](C)CC(=O)OC 3cc67f4b754a47c9de55b6947d2591a1 [1,1,0,0,0,0|1,0,1]=4 2020 B11R0.154 CCCCOC(C)CC(=O)OC c821b97e61479eeb6f4d3918e3f6be55 [1,1,0,0,0,0|1,0,1]=4 2021 B11R0.154 CCCCOC(C)OC(=O)OC 6a9183201443b2593082d20e0b694152 [1,1,0,0,0,0|2,0,0]=4 2022 B11R0.154 CCCCO[C@@H](C)CC(=O)OC 6e8b570bf6e9c14ee3056bc55e9ea0f8 [1,1,0,0,0,0|1,0,1]=4 2023 B11R0.154 CCCCO[C@H](C)CC(=O)OC e37b033a1d682368876e963f16660675 [1,1,0,0,0,0|1,0,1]=4 2024 B11R0.154 CCCNCC(C)CC(=O)OC 873a1d4d7be56471fc5c1c051c144d93 [1,1,0,0,0,0|1,0,1]=4 2025 B11R0.154 CCCNCC(O)CC(=O)OC 4ca6e79ee409bb8cd255af1ff469f21a [1,1,0,0,0,0|1,0,1]=4 2026 B11R0.154 CCCNC[C@@H](O)CC(=O)OC d64043de9b0bee5816ab64db2043bda0 [1,1,0,0,0,0|1,0,1]=4 2027 B11R0.154 CCCNC[C@H](O)CC(=O)OC dd619faf623e53ec29bac530a1d6ebe7 [1,1,0,0,0,0|1,0,1]=4 2028 B11R0.154 CCCOCC(C)CC(=O)OC 2fdc7d4802e83652201ed75663d8570d [1,1,0,0,0,0|1,0,1]=4 2029 B11R0.174 CCCC(C)CNCC(=O)OC d94197d0b88a2b807c1a7f37d3ee1a25 [1,1,0,0,0,0|1,0,1]=4 2030 B11R0.174 CCCC(C)COCC(=O)OC c8cdc297b47c32fa9cddb65adece86bf [1,1,0,0,0,0|1,0,1]=4 2031 B11R0.174 CCCC(C)NCCC(=O)OC b1a1031e1f4ba318e932bfdc77e4bbf7 [1,1,0,0,0,0|1,0,1]=4 2032 B11R0.174 CCCC(C)NCOC(=O)OC 8200f3900fed417a21930cb37808b363 [1,1,0,0,0,0|2,0,0]=4 2033 B11R0.174 CCCC(C)OCCC(=O)OC 037e1108d805876d37178c6543ab693c [1,1,0,0,0,0|1,0,1]=4 2034 B11R0.174 CCCC(O)CNCC(=O)OC 58110736a5c625cd64b261c983eddab2 [1,1,0,0,0,0|1,0,1]=4 2035 B11R0.174 CCCN(C)CC#CC(=O)OC 9c61f6770f6cfd119aa813e82e5c157a [1,1,0,0,0,0|1,0,0]=3 2036 B11R0.174 CCCN(C)CCCC(=O)OC 69d253e88d1e61d854220b1416f9e5a8 [1,1,0,0,0,0|1,0,1]=4 2037 B11R0.174 CCC[C@@H](C)OCCC(=O)OC 32237384edc5023d6814a4db0ac158df [1,1,0,0,0,0|1,0,1]=4 2038 B11R0.174 CCC[C@H](C)NCCC(=O)OC f5e14de7c9ec227b55f117b06e1e2b4c [1,1,0,0,0,0|1,0,1]=4 2039 B11R0.174 CCC[C@H](C)NCOC(=O)OC 95ab1a2d4cedcabf47b683615396f95f [1,1,0,0,0,0|2,0,0]=4 2040 B11R0.174 CCC[C@H](C)OCCC(=O)OC 74cc17c2b75c46a3b125dab63bb50b4b [1,1,0,0,0,0|1,0,1]=4 2041 B11R0.174 COC(=O)C#CCN(C)CCF 1da2fd685f2331937e08bb5938fcfbf7 [1,1,0,0,0,0|2,0,0]=4 2042 B11R0.174 COC(=O)C#CCN(C)CCO b2acd3115da1220875c9266600536140 [1,1,0,0,0,0|2,0,0]=4 2043 B13R0.2 C#CCCCOCC#CC(=O)OCC 82434523959fb88a251d53051121b8e4 [0,2,0,0,0,0|0,0,2]=4 2044 B13R0.2 C=CCCCOCC#CC(=O)OCC ac42dbd413b29d6b968fd58a5a24aabc [0,2,0,0,0,0|0,0,2]=4 2045 B13R0.2 CC/C=C/COCC#CC(=O)OCC 2649a26164b1f1cd2df5a0047b2cf79d [0,2,0,0,0,0|0,0,2]=4 2046 B13R0.2 CCCCCCCCNC(=O)COC 47f1d49276911c281e4e5d8541e891e0 [0,2,0,0,0,0|0,0,2]=4 2047 B13R0.2 CCCCCCCNCC(=O)COC 00a49161b46d585bb8c6643b00c1eee6 [0,2,0,0,0,0|0,0,2]=4 2048 B13R0.2 CCCCCCCNCC(=O)OCC abd85a7e37601b1753a0da1ffad8260f [0,2,0,0,0,0|0,0,2]=4 2049 B13R0.2 CCCCCCCOCC(=O)COC 3ec9fc8695c5218e1de632417c2b4180 [0,2,0,0,0,0|0,0,2]=4 2050 B13R0.2 CCCCCCCOCC(=O)OCC 4a05e6b375ec7268012afe5b15ef0517 [0,2,0,0,0,0|0,0,2]=4 2051 B13R0.2 CCCCCCNCCC(=O)OCC aff4c424081f16a0015b47b5c232fbec [0,2,0,0,0,0|0,0,2]=4 2052 B13R0.2 CCCCCCNCOC(=O)OCC 2ed6191aaa975defd5b3aff84168c385 [0,2,0,0,0,0|1,0,1]=4 2053 B13R0.2 CCCCCCOCCC(=O)OCC e54f3ab4d73e5d613afa1b2c27111033 [0,2,0,0,0,0|0,0,2]=4 2054 B13R0.2 CCCCCCOCOC(=O)OCC eafccfdaff2b2a4e9b3584568c95869c [0,2,0,0,0,0|1,0,1]=4 2055 B13R0.2 CCCCCNC/C=C/C(=O)OCC d3ec4e077699aa3d69496c98f5c6d794 [0,2,0,0,0,0|0,0,2]=4 2056 B13R0.2 CCCCCNCC=CC(=O)OCC 593c7a4c9e9b8fc51015837f03226595 [0,2,0,0,0,0|0,0,2]=4 2057 B13R0.2 CCCCCNCCCC(=O)OCC 0df93ab1587649687a4df691133aff68 [0,2,0,0,0,0|0,0,2]=4 2058 B13R0.2 CCCCCOC/C=C/C(=O)OCC 88512f6ce8d3cebe5c14fb691fe7b0f7 [0,2,0,0,0,0|0,0,2]=4 2059 B13R0.2 CCCCCOCC#CC(=O)OCC d3d79b535d4b195245e225078b6a6699 [0,2,0,0,0,0|0,0,0]=2 2060 B13R0.2 CCCCCOCC=CC(=O)OCC f6ef3abd95a9be811bb890aa858c203f [0,2,0,0,0,0|0,0,2]=4 2061 B13R0.2 CCCCCOCCCC(=O)OCC 35ede942d9fb4c8f0cd553d34e8d4c7e [0,2,0,0,0,0|0,0,2]=4 2062 B13R0.2 CCCCNCCC=CC(=O)OCC d5c0e4b8168d3422a63d07ab42daba49 [0,2,0,0,0,0|0,0,2]=4 2063 B13R0.2 CCCCNCCCCC(=O)OCC ddf10fa62cd2dab558dd66df1e4ec875 [0,2,0,0,0,0|0,0,2]=4 2064 B13R0.2 CCCCOCC/C=C/C(=O)OCC 1734e208992efde6e8faa09a03f1fbd5 [0,2,0,0,0,0|0,0,2]=4 2065 B13R0.2 CCCCOCCC=CC(=O)OCC 260db2c1db8dc6348d45ceb36d912022 [0,2,0,0,0,0|0,0,2]=4 2066 B13R0.2 CCCCOCCCCC(=O)OCC 2e19a20ec679fd1dc5239d756f3abbd1 [0,2,0,0,0,0|0,0,2]=4 2067 B13R0.2 CCCCOCCCNC(=O)COC 693e843cc58dd5fdcb04a0ef3c350060 [0,2,0,0,0,0|1,0,1]=4 2068 B13R0.2 CCCCOCCNCC(=O)COC b2e5c1af095e221756e783fbbd136e14 [0,2,0,0,0,0|1,0,1]=4 2069 B13R0.2 CCCCOCCNCC(=O)OCC 95f9cc46667b42d25e20cce8c692da5f [0,2,0,0,0,0|1,0,1]=4 2070 B13R0.2 CCCCOCCOCC(=O)COC 6bcb033c28459ad60149a9ea44a51917 [0,2,0,0,0,0|1,0,1]=4 2071 B13R0.2 CCCCOCCOCC(=O)OCC da37a26050796aa99dfde3b3c80011a0 [0,2,0,0,0,0|1,0,1]=4 2072 B13R0.2 CCCCSCCOCC(=O)COC 5cc0a90530fd102ecc7a8c1553dcef72 [0,2,0,0,0,0|1,0,1]=4 2073 B13R0.2 CCCCSCCOCC(=O)OCC 0dde3ebfaf53f2e0d736609af9408c53 [0,2,0,0,0,0|1,0,1]=4 2074 B13R0.2 CCCNCCC/C=C/C(=O)OCC 1cde9aa3f04c04ecc2f1a21293ddd571 [0,2,0,0,0,0|0,0,2]=4 2075 B13R0.2 CCCNCCCCCC(=O)OCC 2155c8508ea1d0a2cfa86b886eb73ca1 [0,2,0,0,0,0|0,0,2]=4 2076 B13R0.2 CCCNCCCOCC(=O)OCC 95c6f0fb32318675d666a7816b7fdc6e [0,2,0,0,0,0|1,0,1]=4 2077 B13R0.2 CCCOCCC/C=C/C(=O)OCC 5eabaae5a39a9f33921d4ac80eebea35 [0,2,0,0,0,0|0,0,2]=4 2078 B13R0.2 CCCOCCCCCC(=O)OCC 5ba0b8140b4acc736192f8bf133c0100 [0,2,0,0,0,0|0,0,2]=4 2079 B13R0.2 CCCOCCCNCC(=O)COC 9bf0f97b73ce002716ed88cfd5513bb1 [0,2,0,0,0,0|1,0,1]=4 2080 B13R0.2 CCCOCCCNCC(=O)OCC c31792c8623180e2b467ed3d101bd735 [0,2,0,0,0,0|1,0,1]=4 2081 B13R0.2 CCCOCCCOCC(=O)OCC ceceb5500726d3b7b6cec5cf17990f0e [0,2,0,0,0,0|1,0,1]=4 2082 B13R0.2 CCCSCCCCNC(=O)COC 7d7f1ef87f018886e82bd2448bc48244 [0,2,0,0,0,0|1,0,1]=4 2083 B13R0.2 CCOC(=O)C#CCOCCCC#N 8180ba85000534e46e494fde61c67ce9 [0,2,0,0,0,0|1,0,1]=4 2084 B13R0.2 CCOC(=O)C#CCOCCCC=O f616e3493c356fc547c4e2b5b3661606 [0,2,0,0,0,0|1,0,1]=4 2085 B13R0.2 CCOC(=O)C#CCOCCCCF b3859dad6b0f6937be5f94e2ea13a60b [0,2,0,0,0,0|1,0,0]=3 2086 B13R0.2 CCOC(=O)C#CCOCCCOC 6a0bb51840919bc3ef0ec87b848280df [0,2,0,0,0,0|1,0,0]=3 2087 B13R0.2 CCOC(=O)C#CCOCCCSC e549437ec303f78b70f62482b8bf7f07 [0,2,0,0,0,0|1,0,0]=3 2088 B13R0.2 CCOC(=O)C#CCOCCSCC eabe4c28d97e1a5052c7235d23501cea [0,2,0,0,0,0|1,0,0]=3 2089 B13R0.2 CCOC(=O)CNCCCCCCCl e183d3377cbc5d5cfe302f04ade1525b [0,2,0,0,0,0|1,0,1]=4 2090 B13R0.2 CCOC(=O)CNCCCCCCF 9c7b3ac33ba7d4e72f32dbbf54b9d9ea [0,2,0,0,0,0|1,0,1]=4 2091 B13R0.2 CCOC(=O)CNCCCCCCO 2ab38fc69ba7745cc7e2ec867ea3986f [0,2,0,0,0,0|1,0,1]=4 2092 B13R0.2 CCOC(=O)CNCCCCCOC 89d5e5a744e3752c37074ca0be03333a [0,2,0,0,0,0|1,0,1]=4 2093 B13R0.2 CCOC(=O)CNCCCCSCC c74158c532cd088ab41a222392e344e6 [0,2,0,0,0,0|1,0,1]=4 2094 B13R0.2 CCOC(=O)COCCCCCCF 726acd625c604cb3966b769d2594ebab [0,2,0,0,0,0|1,0,1]=4 2095 B13R0.2 CCOC(=O)COCCCCCCS ded517fb7a162351c96ac923da6cfaaa [0,2,0,0,0,0|1,0,1]=4 2096 B13R0.2 CCOC(=O)COCCCCCOC ee6a56394b4514d5e2ef6b9ac93177a5 [0,2,0,0,0,0|1,0,1]=4 2097 B13R0.2 CCOCCCCCCC(=O)OCC 369101502abbabdd99c66bce4dd9ee99 [0,2,0,0,0,0|0,0,2]=4 2098 B13R0.2 CCOCCOCC#CC(=O)OCC b858d968c33bec6144cd8e88fbd00787 [0,2,0,0,0,0|1,0,0]=3 2099 B13R0.2 CCSCCCCNCC(=O)COC 5526eeab82a8fb3d59791e13e35ffbc5 [0,2,0,0,0,0|1,0,1]=4 2100 B13R0.2 COCC(=O)CNCCCCCCCl d85e92ec80c610c510ecd9951e0d4e6d [0,2,0,0,0,0|1,0,1]=4 2101 B13R0.2 COCC(=O)CNCCCCCCO d059aaa69c5b3a9748970b2ad5c3af9a [0,2,0,0,0,0|1,0,1]=4 2102 B13R0.2 COCC(=O)COCCCCCCF 24ae892c96cdfb4ecff4e4e7785c5923 [0,2,0,0,0,0|1,0,1]=4 2103 B13R0.2 COCC(=O)COCCCCCCS d2105604e1fbc54b189e36d73236cdcc [0,2,0,0,0,0|1,0,1]=4 2104 B13R0.2 COCC(=O)NCCCCCCCO 1ea0500e0cbf2d54c18b4d34e33227a5 [0,2,0,0,0,0|1,0,1]=4 2105 B13R0.2 COCCCCCNCC(=O)COC 6928b7e488d1e7b08d0e47c930fabeac [0,2,0,0,0,0|1,0,1]=4 2106 B13R0.66 C=CCOC(=O)CNCCCCCC b54609cac5c7a060c87555f23bc72611 [0,2,0,0,0,0|1,0,1]=4 2107 B13R0.66 C=CCOC(=O)COCCCCCC ec0c196f9aed959ee44d1a0f5a4adc0b [0,2,0,0,0,0|1,0,1]=4 2108 B13R0.66 CCCCCCCNC(=O)/C=C/OC 11e6d03a89907a332d7520d8da9dc736 [0,2,0,0,0,0|1,0,1]=4 2109 B13R0.66 CCCCCCCNC(=O)C=COC 523e207fd2f81f4583c346d17c0bedd8 [0,2,0,0,0,0|1,0,1]=4 2110 B13R0.66 CCCCCCCNC(=O)CCOC c76f5c2a576579292be0310300d981af [0,2,0,0,0,0|1,0,1]=4 2111 B13R0.66 CCCCCCCNC(=O)COCC b2c19913a22fba1d80ae34ddb4e805f5 [0,2,0,0,0,0|1,0,1]=4 2112 B13R0.66 CCCCCCNCC(=O)OCCC c0090dd4195476203dacc60184ad7591 [0,2,0,0,0,0|1,0,1]=4 2113 B13R0.66 CCCCCCOCC(=O)OCCC d005979674755503a456ea7894191e9e [0,2,0,0,0,0|1,0,1]=4 2114 B13R0.87 C=C(CC)COCC#CC(=O)OCC 790fb269dcf7985978f6ac141d43f945 [0,2,0,0,0,0|1,0,1]=4 2115 B13R0.87 C=CCC(C)COCC#CC(=O)OC a47c452e6af29ea0031ee26735c336c3 [0,2,0,0,0,0|0,0,2]=4 2116 B13R0.87 C=CCC(O)CNCC#CC(=O)OC 1e565a43f1daa8d3c9b4e82bcc158fc0 [0,2,0,0,0,0|0,0,2]=4 2117 B13R0.87 CCC(C)CCCOCC(=O)COC 113601798062370121699ce8cf52d9d5 [0,2,0,0,0,0|1,0,1]=4 2118 B13R0.87 CCCC(=O)COCC#CC(=O)OC 4412c5de2921df0d9abef59219ec3c33 [0,2,0,0,0,0|0,0,1]=3 2119 B13R0.87 CCCC(C)CCCOCC(=O)OC 2fa4309a1ff398007da0826f8fae1bf6 [0,2,0,0,0,0|0,0,2]=4 2120 B13R0.87 CCCC(C)CCOCCC(=O)OC 24f8fb88e88f81d4f3b44e368c4fa5ea [0,2,0,0,0,0|0,0,2]=4 2121 B13R0.87 CCCC(C)CCOCOC(=O)OC 40e266ed4dbef7bfdd0d3671afd9f10d [0,2,0,0,0,0|1,0,1]=4 2122 B13R0.87 CCCC(C)CNCCCC(=O)OC fc00b5c8e16086cd06445534a98ac004 [0,2,0,0,0,0|0,0,2]=4 2123 B13R0.87 CCCC(C)COC/C=C/C(=O)OC e74b2c41f1f01bf62ddea08177270f9b [0,2,0,0,0,0|0,0,2]=4 2124 B13R0.87 CCCC(C)COC/C=C\C(=O)OC 7587d3d08cf3dae1e2077227c792cc1b [0,2,0,0,0,0|0,0,2]=4 2125 B13R0.87 CCCC(C)COCC#CC(=O)OC 4d41bacaa1417eaefc5d922f57faa0bc [0,2,0,0,0,0|0,0,0]=2 2126 B13R0.87 CCCC(C)COCC=CC(=O)OC 9e788a0fa27d8cded86f2050059a7e96 [0,2,0,0,0,0|0,0,2]=4 2127 B13R0.87 CCCC(C)COCCCC(=O)OC 08cd598533ad910139e70208fcd433f0 [0,2,0,0,0,0|0,0,2]=4 2128 B13R0.87 CCCC(C)COCCOC(=O)OC 09c80387933cac829714dc39537f11b8 [0,2,0,0,0,0|1,0,1]=4 2129 B13R0.87 CCCC(C)NCCCCC(=O)OC 79059fe006da6b9e5c1da7e98f375026 [0,2,0,0,0,0|0,0,2]=4 2130 B13R0.87 CCCC(C)NCCOCC(=O)OC 757e3055ee86affd972e3250b7e7b126 [0,2,0,0,0,0|1,0,1]=4 2131 B13R0.87 CCCC(C)OCCCCC(=O)OC 0f69679e41e12e3ac2ffafb4ef93f930 [0,2,0,0,0,0|0,0,2]=4 2132 B13R0.87 CCCC(C)OCCOCC(=O)OC 5e28a203edb28d936e6a57ef43940015 [0,2,0,0,0,0|1,0,1]=4 2133 B13R0.87 CCCC(O)CNC/C=C/C(=O)OC 811ccdf6fc2c24e4e6be07ea42c03990 [0,2,0,0,0,0|0,0,2]=4 2134 B13R0.87 CCCC(O)CNC/C=C\C(=O)OC 4619f19dde1ceabf4cdcc49fcf2aa17d [0,2,0,0,0,0|0,0,2]=4 2135 B13R0.87 CCCC(O)CNCC#CC(=O)OC eaeb01bdd64ae2acc369233a06f90c41 [0,2,0,0,0,0|0,0,0]=2 2136 B13R0.87 CCCC(O)CNCC=CC(=O)OC 3d13274ae13a7807fbdd8bfd98d6ecd4 [0,2,0,0,0,0|0,0,2]=4 2137 B13R0.87 CCCC(O)CNCCCC(=O)OC 915dbaa0f926723830048f0a37e22398 [0,2,0,0,0,0|0,0,2]=4 2138 B13R0.87 CCCC(S)CCOCCC(=O)OC ae50eb819366df340118059dbd936f4a [0,2,0,0,0,0|0,0,2]=4 2139 B13R0.87 CCCC(S)CCOCOC(=O)OC f58354f4acd9201e3089ebb441672f25 [0,2,0,0,0,0|1,0,1]=4 2140 B13R0.87 CCCN(C)CCCCCC(=O)OC ea7df2fe20199a3c52a1d3a0faf4a3af [0,2,0,0,0,0|0,0,2]=4 2141 B13R0.87 CCCN(C)CCCOCC(=O)OC 8ec4dea5e6a3238523ec59873b5f031f [0,2,0,0,0,0|1,0,1]=4 2142 B13R0.87 CCCN(C)CCCSCC(=O)OC ecc1a0c8e621d20a3eed364e5e4f7559 [0,2,0,0,0,0|1,0,1]=4 2143 B13R0.87 CCC[C@@H](C)OCCCCC(=O)OC f9d9a6f1303407865e21ca02d01529b8 [0,2,0,0,0,0|0,0,2]=4 2144 B13R0.87 CCC[C@@H](C)OCCOCC(=O)OC 4e92f130137f64065324a6360e3aa93a [0,2,0,0,0,0|1,0,1]=4 2145 B13R0.87 CCC[C@H](C)NCCCCC(=O)OC 229d0d5b3ed2d641e41f3cee77af741f [0,2,0,0,0,0|0,0,2]=4 2146 B13R0.87 CCC[C@H](C)NCCOCC(=O)OC 1e991ab570f1af0a8cd03e408a19e511 [0,2,0,0,0,0|1,0,1]=4 2147 B13R0.87 CCC[C@H](C)OCCCCC(=O)OC 2bbaceb1653359ccb0aa35f9a0b20765 [0,2,0,0,0,0|0,0,2]=4 2148 B13R0.87 CCC[C@H](C)OCCOCC(=O)OC 402ef604e50817b24471bf2e2da5c371 [0,2,0,0,0,0|1,0,1]=4 2149 B13R0.87 CCNC(=O)COCC#CC(=O)OC f445cd2bd26303d48f9db13b1daf29cc [0,2,0,0,0,0|1,0,1]=4 2150 B13R0.87 CCOC(=O)C#CCOCC(=O)CC af9ac2158f776fec4e39784f8334809f [0,2,0,0,0,0|1,0,1]=4 2151 B13R0.87 CCOC(=O)C#CCOCC(C)CC ca9083d87ab7ac4435c2c6e830a1fcab [0,2,0,0,0,0|1,0,0]=3 2152 B13R0.87 CCOC(=O)C#CCOCC(C)OC c3299758b19a05bee00833d267df4bda [0,2,0,0,0,0|2,0,0]=4 2153 B13R0.87 CCOC(=O)C#CCOCC(O)CO 499949a00ffa5bf9db08f4676e7a1314 [0,2,0,0,0,0|2,0,0]=4 2154 B13R0.87 CCOC(=O)C#CCOC[C@@H](C)CC 9beda2fe76f58bd4cde448167feb9210 [0,2,0,0,0,0|1,0,0]=3 2155 B13R0.87 CCOC(=O)C#CCOC[C@@H](C)OC d6b91a0cc0ee39ba22bbf5d36968d327 [0,2,0,0,0,0|2,0,0]=4 2156 B13R0.87 CCOC(=O)C#CCOC[C@@H](O)CO 4caa4f7221b5e985b8c3c5830aa0a615 [0,2,0,0,0,0|2,0,0]=4 2157 B13R0.87 CCOC(=O)C#CCOC[C@H](C)CC 0f46bb7de085c281a6170d4ba20a675e [0,2,0,0,0,0|1,0,0]=3 2158 B13R0.87 CCOC(=O)C#CCOC[C@H](C)OC 7ae5c966806639ae8fdab6682c6e4852 [0,2,0,0,0,0|2,0,0]=4 2159 B13R0.87 CCOC(=O)C#CCOC[C@H](O)CO ab0bd562a20ce5d97ab6ffe812659686 [0,2,0,0,0,0|2,0,0]=4 2160 B13R0.87 CCOC(=O)CNCC#CC(=O)OC 69ba1cfbd824beb4c02094062a25fc5b [0,2,0,0,0,0|1,0,1]=4 2161 B13R0.87 CCOC(=O)COCC#CC(=O)OC ea8d28a608e1e77102d76adf534efffa [0,2,0,0,0,0|1,0,1]=4 2162 B13R0.87 CCOC(=O)COCCCC(C)CC 7c71236fb94ea31cdd2e3158725048dd [0,2,0,0,0,0|1,0,1]=4 2163 B13R0.87 CCOC(=O)COCCC[C@@H](C)CC 7079bcc56fa0f45798b2928722b28e30 [0,2,0,0,0,0|1,0,1]=4 2164 B13R0.87 CCOC(C)CNCC#CC(=O)OC 3415dd38d56b8a1c4b1006ceb909f918 [0,2,0,0,0,0|1,0,0]=3 2165 B13R0.87 CCOC(C)COCC#CC(=O)OC ac007948fdc0691ee680c5ca0de855cf [0,2,0,0,0,0|1,0,0]=3 2166 B13R0.87 CC[C@H](C)CCCOCC(=O)COC 88a54be434ffdf99548db057e7e9a623 [0,2,0,0,0,0|1,0,1]=4 2167 B13R0.87 COC(=O)C#CCOC[C@@H](O)CCO a4a3555c3fedb0b59250918fbde7a03b [0,2,0,0,0,0|1,0,0]=3 2168 B13R0.87 COCC(=O)COCC#CC(=O)OC 13dc5f5907451397b6f0c1b7eae8709a [0,2,0,0,0,0|1,0,1]=4 2169 B13R0.87 COCC(O)CNCC#CC(=O)OC 30d534b548b74c64b0a6f58d085043d9 [0,2,0,0,0,0|1,0,0]=3 2170 B13R0.87 COC[C@@H](O)CNCC#CC(=O)OC 303397cc90a59f271e9acb93af2080f3 [0,2,0,0,0,0|1,0,0]=3 2171 B13R0.88 C=C(C)CCOCC#CC(=O)OCC c7f7f85ba74edb6545089a5671bffbec [0,2,0,0,0,0|1,0,1]=4 2172 B13R0.88 CCOC(=O)C#CCOCCC(=O)C f1f3812df056fa365c9c4e09e4438d75 [0,2,0,0,0,0|1,0,1]=4 2173 B13R0.88 CCOC(=O)C#CCOCCC(C)C d7fabd6ea63d4b961d987be2cd60b4cf [0,2,0,0,0,0|1,0,0]=3 2174 B13R0.88 CCOC(=O)C#CCOCCN(C)C 546ecf8984045a9927271edcf1a33de2 [0,2,0,0,0,0|2,0,0]=4 2175 B13R0.88 CCOC(=O)C#CCOCCS(=O)C d550015073df15c0efcfbb0683c2b57b [0,2,0,0,0,0|2,0,0]=4 2176 B13R0.88 CCOC(=O)C#CCOCOC(C)C 5694dd7897b30ffb6cd7460e1e601f2e [0,2,0,0,0,0|2,0,0]=4 2177 B13R0.88 CCOC(=O)CNCCCCC(C)C 6b82839d529610ce38d67ede231966b8 [0,2,0,0,0,0|1,0,1]=4 2178 B13R0.88 CCOC(=O)CNCCCCC(C)O f8aed573a50a1c078422e9aae9db1a81 [0,2,0,0,0,0|1,0,1]=4 2179 B13R0.88 CCOC(=O)CNCCCC[C@@H](C)O 2894c1c2a01d8d1471ae3e9ecc66ea42 [0,2,0,0,0,0|1,0,1]=4 2180 B13R0.88 CCOC(=O)COCCCCC(C)C 4f78732b69d00994c43317c604a27ef7 [0,2,0,0,0,0|1,0,1]=4 2181 B13R0.88 COCC(=O)COCCCCC(C)C 5ca3c0fd285f5c969062076db3b3c5b9 [0,2,0,0,0,0|1,0,1]=4 2182 B13R0.88 COCC(=O)NCCCCCC(C)C 3f0394178858fd5b4111775f68851203 [0,2,0,0,0,0|1,0,1]=4 2183 B13R0.175 CCCCC(C)COCC(=O)COC fbfb4e879f8f65a949d648b803389c67 [0,2,0,0,0,0|1,0,1]=4 2184 B13R0.175 CCCCC(C)COCC(=O)OCC 75aa47bb6a97ded20d192917bbb01247 [0,2,0,0,0,0|1,0,1]=4 2185 B13R0.175 CCCCC(O)CNCC(=O)COC 615f52602f881b4d1024727a0bf48dd7 [0,2,0,0,0,0|1,0,1]=4 2186 B13R0.175 CCCCC(O)CNCC(=O)OCC 284d91f9211cae3b09ae64af74a5c906 [0,2,0,0,0,0|1,0,1]=4 2187 B13R0.193 CCCCCC(C)NCC(=O)COC 342269ec8313fd4e86195a54c331bbbd [0,2,0,0,0,0|1,0,1]=4 2188 B13R0.193 CCCCCC(C)NCC(=O)OCC 8915589a430f620271906f5904ef46fa [0,2,0,0,0,0|1,0,1]=4 2189 B13R0.193 CCCCCC(C)OCC(=O)COC 116dd64d6c4e02acc3dc06824eeb5f33 [0,2,0,0,0,0|1,0,1]=4 2190 B13R0.193 CCCCCC(C)OCC(=O)OCC 358e541afbd48f2f3a8a8561e6de73e0 [0,2,0,0,0,0|1,0,1]=4 2191 B13R0.193 CCCCC[C@@H](C)OCC(=O)COC ad1bbb4043941a55ee9b93e0bc6447f9 [0,2,0,0,0,0|1,0,1]=4 2192 B13R0.193 CCCCC[C@@H](C)OCC(=O)OCC cbd403afa48a5e3e81d4b218292d20f4 [0,2,0,0,0,0|1,0,1]=4 2193 B13R0.193 CCCCC[C@H](C)NCC(=O)COC 1c7a7a98fe8bda6c8e8c3e4b4a337f4f [0,2,0,0,0,0|1,0,1]=4 2194 B13R0.193 CCCCC[C@H](C)NCC(=O)OCC 34130c13b516b6897ef288cd5672706a [0,2,0,0,0,0|1,0,1]=4 2195 B13R0.193 CCCCC[C@H](C)OCC(=O)COC ab65f4658c79adfc5883b3fe546dc9a3 [0,2,0,0,0,0|1,0,1]=4 2196 B13R0.193 CCCCC[C@H](C)OCC(=O)OCC a2647bbaf42012fe4279b2c658bcf753 [0,2,0,0,0,0|1,0,1]=4 2197 B13R0.275 CCCCCCCN(C)C(=O)COC 70a591dad6f19652cf272e28e9b9cc20 [0,2,0,0,0,0|1,0,1]=4 2198 B13R0.275 CCCCCCNC(=O)C(=O)OCC 1fe1fa97555c777427f9ce047a2a563d [0,2,0,0,0,0|1,0,1]=4 2199 B13R0.275 CCCCCCNC(C)C(=O)OCC 0d8b1b650a5822e5bb867da89fa93e5f [0,2,0,0,0,0|1,0,1]=4 2200 B13R0.275 CCCCCCNC(F)C(=O)OCC 68b6b8f8ac9fe2f92d0c154051be8aa5 [0,2,0,0,0,0|1,0,1]=4 2201 B13R0.275 CCCCCCN[C@@H](C)C(=O)OCC e340a26cfbcb914c9225cb86d37994ca [0,2,0,0,0,0|1,0,1]=4 2202 B13R0.275 CCCCCCN[C@H](C)C(=O)OCC ac7a042837f608aaa1fef350ecf616c4 [0,2,0,0,0,0|1,0,1]=4 2203 B13R0.275 CCCCCCOC(C)C(=O)OCC d0d9adaea64398cc0452c6c7c6e02f3e [0,2,0,0,0,0|1,0,1]=4 2204 B13R0.275 CCCCCCOC(F)C(=O)OCC deb622ffa08f5c8c7fdd012005341c47 [0,2,0,0,0,0|1,0,1]=4 2205 B13R0.275 CCCCCCO[C@@H](C)C(=O)OCC 1089dbbcb1cbaed2dbe7b198063d2af9 [0,2,0,0,0,0|1,0,1]=4 2206 B13R0.275 CCCCCCO[C@H](C)C(=O)OCC 8797a500078b53d61babad3e4f0bd1f9 [0,2,0,0,0,0|1,0,1]=4 2207 B13R0.330 CCCCCCC(C)NC(=O)COC 0a5520280d3346f5701b1871eab84e48 [0,2,0,0,0,0|1,0,1]=4 2208 B13R0.330 CCCCCCN(C)CC(=O)COC a922da48bd0007ac169dc3321b539ec1 [0,2,0,0,0,0|1,0,1]=4 2209 B13R0.330 CCCCCCN(C)CC(=O)OCC 36fc3a22e1d497493de89e773577ede9 [0,2,0,0,0,0|1,0,1]=4 2210 B13R0.330 CCCCCC[C@@H](C)NC(=O)COC 673abebfb46d99c39fe887b3b718d4d0 [0,2,0,0,0,0|1,0,1]=4 2211 B13R0.330 CCCCCC[C@H](C)NC(=O)COC db857da7a88a7cf793d190f9a59593e7 [0,2,0,0,0,0|1,0,1]=4 2212 B13R0.335 CCCCCCNCC(=O)OC(C)C 8da1c034d4611b7d96a428d8ad9e826b [0,2,0,0,0,0|1,0,1]=4 2213 B13R0.335 CCCCCCOCC(=O)OC(C)C 507c24e4c058bb578d428888588fc848 [0,2,0,0,0,0|1,0,1]=4 2214 B13R0.340 C=C(CNCCCCCC)C(=O)OC e7fd5476a29aff63f2bd0ea3295311a8 [0,2,0,0,0,0|0,0,2]=4 2215 B13R0.340 C=C(COCCCCCC)C(=O)OC dd2d052c244bcb5ca1a0011378c16394 [0,2,0,0,0,0|0,0,2]=4 2216 B13R0.340 CCCCCCCNC(=O)C(=O)OC 002f1de669dd21d9b40f61682743777c [0,2,0,0,0,0|0,0,2]=4 2217 B13R0.340 CCCCCCCNC(=O)C(C)OC 11232c4d3d8f3931f5576e7ef8a74109 [0,2,0,0,0,0|1,0,1]=4 2218 B13R0.340 CCCCCCCNC(=O)[C@@H](C)OC 859fa5e81f6439739da74d45179b1327 [0,2,0,0,0,0|1,0,1]=4 2219 B13R0.340 CCCCCCCNC(=O)[C@H](C)OC 14554636ad925679ed8fdbd8b241c93d [0,2,0,0,0,0|1,0,1]=4 2220 B13R0.340 CCCCCCCNC(C)C(=O)OC cb8c0d9a2ae373ebb41b2afa899548e3 [0,2,0,0,0,0|0,0,2]=4 2221 B13R0.340 CCCCCCCN[C@@H](C)C(=O)OC f6ef5760545d2077a22b98d70c443f65 [0,2,0,0,0,0|0,0,2]=4 2222 B13R0.340 CCCCCCCN[C@H](C)C(=O)OC e41955eb6c1b68b7c786dadf8442b06b [0,2,0,0,0,0|0,0,2]=4 2223 B13R0.340 CCCCCCCOC(C)C(=O)OC 2e731a12cc3d0e3d45beef133debccc5 [0,2,0,0,0,0|0,0,2]=4 2224 B13R0.340 CCCCCCCO[C@@H](C)C(=O)OC a0fcfeafbc05e3b0bd89bdb0c09b8ce6 [0,2,0,0,0,0|0,0,2]=4 2225 B13R0.340 CCCCCCCO[C@H](C)C(=O)OC 6a3ab7d4244ebd3964d995ad95870440 [0,2,0,0,0,0|0,0,2]=4 2226 B13R0.340 CCCCCCNCC(=O)C(=O)OC e960ee7a2ef93acbe606006e87d48bda [0,2,0,0,0,0|0,0,2]=4 2227 B13R0.340 CCCCCCNCC(=O)N(C)OC 0c4c6ddaeb17327f3d02d61a28fca42d [0,2,0,0,0,0|1,0,1]=4 2228 B13R0.340 CCCCCCNCC(C)C(=O)OC 3555573cfe1b1378f23f8017202c21e3 [0,2,0,0,0,0|0,0,2]=4 2229 B13R0.340 CCCCCCNCC(O)C(=O)OC 622ecc0fee5c063d97cb0bea8e0d4335 [0,2,0,0,0,0|0,0,2]=4 2230 B13R0.340 CCCCCCNC[C@@H](C)C(=O)OC 58f31058fdd484b86e452992af39c0b5 [0,2,0,0,0,0|0,0,2]=4 2231 B13R0.340 CCCCCCNC[C@H](C)C(=O)OC 078d842f162c09c7bafa3a494a93b5f2 [0,2,0,0,0,0|0,0,2]=4 2232 B13R0.340 CCCCCCOC=C(F)C(=O)OC 1dd71602d24e68d8e2ae5b14381f11f4 [0,2,0,0,0,0|0,0,2]=4 2233 B13R0.340 CCCCCCOCC(=O)C(=O)OC fe4a91a430a21c1b7acd55c2e7c919c5 [0,2,0,0,0,0|0,0,2]=4 2234 B13R0.340 CCCCCCOCC(C)C(=O)OC 9e9680b889235bd2d16676dd8240cffe [0,2,0,0,0,0|0,0,2]=4 2235 B13R0.340 CCCCCCOCC(F)C(=O)OC 4f9e24af2cbfd6cc656e1842c97f9ebe [0,2,0,0,0,0|0,0,2]=4 2236 B13R0.340 CCCCCCOC[C@@H](C)C(=O)OC ccce413d07f990a66af12c45c06c6e28 [0,2,0,0,0,0|0,0,2]=4 2237 B13R0.340 CCCCCCOC[C@H](C)C(=O)OC 61a86aadd3937e2bb7c1de86386cf1db [0,2,0,0,0,0|0,0,2]=4 2238 B13R0.340 CCCCCNCCC(C)C(=O)OC 7b369d6d30d9364a463b50a7a9884e39 [0,2,0,0,0,0|0,0,2]=4 2239 B13R0.340 CCCCCOCCC(C)C(=O)OC 8722ce5268c3bfe6f3a84bfd849f1545 [0,2,0,0,0,0|0,0,2]=4 2240 B13R0.340 CCCCNCCCC(=O)C(=O)OC 4527f23c7582313db9d04093012357d8 [0,2,0,0,0,0|0,0,2]=4 2241 B13R0.340 CCCCNCCCC(C)C(=O)OC 5f349896528ee38ef5e8a4303c8dfa2d [0,2,0,0,0,0|0,0,2]=4 2242 B13R0.340 CCCCOCCCC(=O)C(=O)OC 3b8c2526411b841df0fa45bb3eb26ee9 [0,2,0,0,0,0|0,0,2]=4 2243 B13R0.340 CCCCOCCCC(C)C(=O)OC f4b71c8e9df8c308c05b7089750e2b21 [0,2,0,0,0,0|0,0,2]=4 2244 B13R0.340 CCCCOCCNC(=O)C(=O)OC ed18233bfbeb16f50e287c2e39d137ee [0,2,0,0,0,0|1,0,1]=4 2245 B13R0.340 CCCCOCCNC(C)C(=O)OC def755bfa825defe199b8249403b97be [0,2,0,0,0,0|1,0,1]=4 2246 B13R0.340 CCCCOCCN[C@@H](C)C(=O)OC c059a1074cf9b9849cf10ecf369d2821 [0,2,0,0,0,0|1,0,1]=4 2247 B13R0.340 CCCCOCCN[C@H](C)C(=O)OC 1b2ec5c824a59262dd5452e42a687f56 [0,2,0,0,0,0|1,0,1]=4 2248 B13R0.340 CCCCOCCOC(C)C(=O)OC e2f6b4c29c556b6d6e92e182932ab618 [0,2,0,0,0,0|1,0,1]=4 2249 B13R0.340 CCCCOCCO[C@@H](C)C(=O)OC 3667bae9c52b5b6f2c847131a5babfd3 [0,2,0,0,0,0|1,0,1]=4 2250 B13R0.340 CCCCOCCO[C@H](C)C(=O)OC bab1dd2735c3ddaf056c3ed51f1bfa95 [0,2,0,0,0,0|1,0,1]=4 2251 B13R0.340 CCCOCCCNC(=O)C(=O)OC 368ff5bac10ba211554a125634b1f9dd [0,2,0,0,0,0|1,0,1]=4 2252 B13R0.340 CCCOCCCNC(C)C(=O)OC 8f3f7725bda30079e586fa2cfde7e3c8 [0,2,0,0,0,0|1,0,1]=4 2253 B13R0.340 CCCOCCCN[C@@H](C)C(=O)OC aea74f92dfee0b775e868848eb785571 [0,2,0,0,0,0|1,0,1]=4 2254 B13R0.340 CCCOCCCN[C@H](C)C(=O)OC e96c84b3d55f5d4268883fdb8d08ca1c [0,2,0,0,0,0|1,0,1]=4 2255 B13R0.340 CCCOCCCOC(C)C(=O)OC 6b283e74540435e277c7b73d9dcad199 [0,2,0,0,0,0|1,0,1]=4 2256 B13R0.340 CCCOCCCO[C@@H](C)C(=O)OC 775d0ab8efc5e304d33a4b967a033cec [0,2,0,0,0,0|1,0,1]=4 2257 B13R0.340 CCCOCCCO[C@H](C)C(=O)OC 4233e9a3f97e70fd75e20676ac7a1039 [0,2,0,0,0,0|1,0,1]=4 2258 B13R0.340 CCSCCCCNC(=O)C(=O)OC ab924c98c4ef320d9056757c228b8f42 [0,2,0,0,0,0|1,0,1]=4 2259 B13R0.340 CCSCCCCNC(C)C(=O)OC 3ffe4da82f983c0d8f6385396e746331 [0,2,0,0,0,0|1,0,1]=4 2260 B13R0.340 CCSCCCCN[C@@H](C)C(=O)OC 26d516a4c564a301ecf481227db878ac [0,2,0,0,0,0|1,0,1]=4 2261 B13R0.340 CCSCCCCN[C@H](C)C(=O)OC a0ef4dd48d90afbc484f367f070eeafc [0,2,0,0,0,0|1,0,1]=4 2262 B13R0.340 COC(=O)C(=O)NCCCCCCCl 6e0aa8915a4d4112de3e980a886a5929 [0,2,0,0,0,0|1,0,1]=4 2263 B13R0.340 COC(=O)C(=O)NCCCCCCO 30c2a717efdc79bd5ea7b7dd49d293ed [0,2,0,0,0,0|1,0,1]=4 2264 B13R0.340 COC(=O)C(C)NCCCCCCCl 2f6b45b5c5079a6843e3a8e919680162 [0,2,0,0,0,0|1,0,1]=4 2265 B13R0.340 COC(=O)C(C)NCCCCCCO 0afb95576df6d160208de979f4cae48a [0,2,0,0,0,0|1,0,1]=4 2266 B13R0.340 COC(=O)C(C)OCCCCCCF e6f4acdf05f89f6feb65b99ebf596e42 [0,2,0,0,0,0|1,0,1]=4 2267 B13R0.340 COC(=O)[C@@H](C)NCCCCCCCl cc0caedc4c57b952d6d8b8d315d7e677 [0,2,0,0,0,0|1,0,1]=4 2268 B13R0.340 COC(=O)[C@@H](C)NCCCCCCO 4b5207075791ca53363e7346dd7a178f [0,2,0,0,0,0|1,0,1]=4 2269 B13R0.340 COC(=O)[C@@H](C)OCCCCCCF ea98b8e7a89b5fdf4233b66ea397a8c0 [0,2,0,0,0,0|1,0,1]=4 2270 B13R0.340 COC(=O)[C@H](C)NCCCCCCCl 36545e3aa3bd9fdbdca9010b0c9fbe8a [0,2,0,0,0,0|1,0,1]=4 2271 B13R0.340 COC(=O)[C@H](C)NCCCCCCO bdef3895b666a28f3c7b470491366e56 [0,2,0,0,0,0|1,0,1]=4 2272 B13R0.340 COC(=O)[C@H](C)OCCCCCCF 7567a87b6bf16b6fbaeaedcdc5191225 [0,2,0,0,0,0|1,0,1]=4 2273 B13R0.340 COCCCCCNC(=O)C(=O)OC dae3572d19dae83364fcbfc5a13d01df [0,2,0,0,0,0|1,0,1]=4 2274 B13R0.340 COCCCCCNC(C)C(=O)OC 0e96cef1137408315d8c29c1b47ebb1d [0,2,0,0,0,0|1,0,1]=4 2275 B13R0.340 COCCCCCN[C@@H](C)C(=O)OC 628515c8f41642a92258b95bea522f5f [0,2,0,0,0,0|1,0,1]=4 2276 B13R0.340 COCCCCCN[C@H](C)C(=O)OC 10a523ee7db418abe74f0d43fa8e1c11 [0,2,0,0,0,0|1,0,1]=4 2277 B13R0.340 COCCCCCOC(C)C(=O)OC b071357b00ee56ebd4bd1bcace3a3254 [0,2,0,0,0,0|1,0,1]=4 2278 B13R0.340 COCCCCCO[C@@H](C)C(=O)OC 13bd785a6a10673fc6ffa7bd9841cb15 [0,2,0,0,0,0|1,0,1]=4 2279 B13R0.340 COCCCCCO[C@H](C)C(=O)OC f4c3db6d4ce9012a5bea8e62020202ba [0,2,0,0,0,0|1,0,1]=4 2280 B13R0.367 CCCC(C)CCOCC(=O)COC 6e4090bfb3affc994250cc83d9ca68e5 [0,2,0,0,0,0|1,0,1]=4 2281 B13R0.367 CCCC(C)CCOCC(=O)OCC 25a00036b65e47cdb3959c2e897a3626 [0,2,0,0,0,0|1,0,1]=4 2282 B13R0.367 CCCC(C)OCC#CC(=O)OCC ee362383bcc984ddbd3b571118262440 [0,2,0,0,0,0|1,0,0]=3 2283 B13R0.367 CCCC(S)CCOCC(=O)COC 887ad3957eedba8399c5f0cdc34cef46 [0,2,0,0,0,0|1,0,1]=4 2284 B13R0.367 CCCC(S)CCOCC(=O)OCC db6d1a7c2538897c67ca469d7d2d0f36 [0,2,0,0,0,0|1,0,1]=4 2285 B13R0.367 CCOC(=O)C#CCOC(C)COC abe30693ffe8cf3c8c98d608276a9199 [0,2,0,0,0,0|2,0,0]=4 2286 B13R0.60 C=CC(OCCCCCC)C(=O)OC 38d13648dd65b9a97b31b66089d2ee5d [0,2,0,0,0,0|1,0,1]=4 2287 B13R0.60 CCCCCCNC(C#N)C(=O)OC 34bbf99696b74d536e6baf1792266571 [0,2,0,0,0,0|1,0,1]=4 2288 B13R0.60 CCCCCCNC(C=O)C(=O)OC ad7ce12e0e4966b22ae2bf39e2fb34d5 [0,2,0,0,0,0|1,0,1]=4 2289 B13R0.60 CCCCCCNC(CC)C(=O)OC 8758569479ff6d6630284700bae9ffb6 [0,2,0,0,0,0|1,0,1]=4 2290 B13R0.60 CCCCCCNC(CO)C(=O)OC aee8dfa6c54be5b9bd8b7f87bdb893db [0,2,0,0,0,0|1,0,1]=4 2291 B13R0.60 CCCCCCN[C@@H](CC)C(=O)OC 05b8ce0c44676e7c88ade20ad00e81c2 [0,2,0,0,0,0|1,0,1]=4 2292 B13R0.60 CCCCCCN[C@@H](CO)C(=O)OC cfb97e00f09e1fd42c89841b6bcf8de6 [0,2,0,0,0,0|1,0,1]=4 2293 B13R0.60 CCCCCCN[C@@H](CS)C(=O)OC 274c4a8da4df29eeac4042720b4d8d7c [0,2,0,0,0,0|1,0,1]=4 2294 B13R0.60 CCCCCCN[C@H](CC)C(=O)OC 8cd49d0a64458e0f3e9c4d4c6c3605b5 [0,2,0,0,0,0|1,0,1]=4 2295 B13R0.60 CCCCCCN[C@H](CO)C(=O)OC 387cd3e98bd622083e591b3827479616 [0,2,0,0,0,0|1,0,1]=4 2296 B13R0.60 CCCCCCOC(C#N)C(=O)OC 8b0f7928b849f63509df766c6dfe5cd0 [0,2,0,0,0,0|1,0,1]=4 2297 B13R0.60 CCCCCCOC(C=O)C(=O)OC 092629df5c9eaaf0e134c7f4b8793021 [0,2,0,0,0,0|1,0,1]=4 2298 B13R0.60 CCCCCCOC(CC)C(=O)OC c2d8fd187f7a93673392ff72b7bc013b [0,2,0,0,0,0|1,0,1]=4 2299 B13R0.60 CCCCCCOC(OC)C(=O)OC 0c1db4e197d7270e8a904a8c3313cff4 [0,2,0,0,0,0|1,0,1]=4 2300 B13R0.60 CCCCCCO[C@@H](CC)C(=O)OC a8494ad0391e177dec73fee01d55bef2 [0,2,0,0,0,0|1,0,1]=4 2301 B13R0.60 CCCCCCO[C@H](CC)C(=O)OC 6a2899e609efef09c8ce6ebf227daba5 [0,2,0,0,0,0|1,0,1]=4 2302 B13R0.101 COC(=O)C(C)OCCCCC(C)C 54f4274ab6dd1051ff58a131cdf8deb1 [0,2,0,0,0,0|1,0,1]=4 2303 B13R0.101 COC(=O)[C@@H](C)OCCCCC(C)C 826e8a5d1d0767896636e21884e1e6e4 [0,2,0,0,0,0|1,0,1]=4 2304 B13R0.101 COC(=O)[C@H](C)OCCCCC(C)C 4014f45fb4f6c538db6b19e9d39815d3 [0,2,0,0,0,0|1,0,1]=4 2305 B13R0.131 CCCCC(C)COC(C)C(=O)OC 14363c9e3efb6bd12e4e36e516218af8 [0,2,0,0,0,0|1,0,1]=4 2306 B13R0.131 CCCCC(C)CO[C@@H](C)C(=O)OC 218000c46db2838b12608d821678e751 [0,2,0,0,0,0|1,0,1]=4 2307 B13R0.131 CCCCC(C)CO[C@H](C)C(=O)OC 6c6ff0eb2ec8b41374b64b9a54d24277 [0,2,0,0,0,0|1,0,1]=4 2308 B13R0.131 CCCCC(O)CNC(=O)C(=O)OC b73aebe53eb8938885fcbfd4857221ea [0,2,0,0,0,0|1,0,1]=4 2309 B13R0.131 CCCCC(O)CNC(C)C(=O)OC 56ae5f2cf6783f5f55e30569ccd5bd28 [0,2,0,0,0,0|1,0,1]=4 2310 B13R0.131 CCCCC(O)CN[C@@H](C)C(=O)OC 9672a2070857f32c124b2826b409e1ca [0,2,0,0,0,0|1,0,1]=4 2311 B13R0.131 CCCCC(O)CN[C@H](C)C(=O)OC f7edfcf300f7b2281343a7df39bf8799 [0,2,0,0,0,0|1,0,1]=4 2312 B13R0.250 CCC(=O)C(C)OCC#CC(=O)OC 52fed94d35faa83f740b94cc33c10974 [0,2,0,0,0,0|1,0,1]=4 2313 B13R0.250 CCC(C)C(C)NCC#CC(=O)OC 82a7ad7837cd9a4d2e473c98907bafea [0,2,0,0,0,0|1,0,0]=3 2314 B13R0.250 CCC(C)CCCOC(C)C(=O)OC abc848a410dc61692ce36f74abdd0cb4 [0,2,0,0,0,0|1,0,1]=4 2315 B13R0.250 CCC(C)CCCO[C@@H](C)C(=O)OC b904cc5c00d6fbf2ef4270f01decb3a6 [0,2,0,0,0,0|1,0,1]=4 2316 B13R0.250 CCC(C)CCCO[C@H](C)C(=O)OC a92ebbfe3f79aa0279cc1f3b3d4e77d2 [0,2,0,0,0,0|1,0,1]=4 2317 B13R0.250 CC[C@H](C)CCCOC(C)C(=O)OC 062e97ff4d136e4666ce438febd5bab1 [0,2,0,0,0,0|1,0,1]=4 2318 B13R0.250 CC[C@H](C)CCCO[C@@H](C)C(=O)OC de957edd4711bf78d4c1bd286c6bd1e2 [0,2,0,0,0,0|1,0,1]=4 2319 B13R0.250 CC[C@H](C)CCCO[C@H](C)C(=O)OC c9e7b2a201a07e1e7a5df138b1a569d0 [0,2,0,0,0,0|1,0,1]=4 2320 B13R0.369 CCCC(C)CCOC(C)C(=O)OC aab50e75fd8cde2e17eb63cb961d1307 [0,2,0,0,0,0|1,0,1]=4 2321 B13R0.369 CCCC(C)CCO[C@@H](C)C(=O)OC 9467f69b363b16aae9c1fa2a38e73c50 [0,2,0,0,0,0|1,0,1]=4 2322 B13R0.369 CCCC(C)CCO[C@H](C)C(=O)OC eaa190ea3cf491f8a28f33fd8875f692 [0,2,0,0,0,0|1,0,1]=4 2323 B13R0.369 CCCC(S)CCOC(C)C(=O)OC 332b9a2074c069415e348ac694aaa43c [0,2,0,0,0,0|1,0,1]=4 2324 B13R0.369 CCCC(S)CCO[C@@H](C)C(=O)OC fb6d000be8f5e249510304a4a7d02ee8 [0,2,0,0,0,0|1,0,1]=4 2325 B13R0.369 CCCC(S)CCO[C@H](C)C(=O)OC aab5c6b43ec7dc1745fa6bed9bfc90bb [0,2,0,0,0,0|1,0,1]=4 2326 B13R0.422 CCCCCCN(C)C(=O)C(=O)OC 8f5b0ff370f37b61945bb79278d62778 [0,2,0,0,0,0|1,0,1]=4 2327 B13R0.422 CCCCCCN(C)C(C)C(=O)OC de31e1e9c13fd15b3e8243ace8b69201 [0,2,0,0,0,0|1,0,1]=4 2328 B13R0.422 CCCCCCN(C)[C@@H](C)C(=O)OC c32c9ca473ae38bd23b317c5b81f8e81 [0,2,0,0,0,0|1,0,1]=4 2329 B13R0.422 CCCCCCN(C)[C@H](C)C(=O)OC c0cf0bfc89bf1d73cb30457876dddc4c [0,2,0,0,0,0|1,0,1]=4 2330 B13R0.714 CCCCCCNC(C)(C)C(=O)OC 6c2bd93a71040a9ec5b879cde0b70aa2 [0,2,0,0,0,0|1,0,1]=4 2331 B13R0.1293 CCCCCC(C)NC(=O)C(=O)OC 38078a030ecec1243ab9281f049dd0c5 [0,2,0,0,0,0|1,0,1]=4 2332 B13R0.1293 CCCCCC(C)NC(C)C(=O)OC 3940c98277fd8049b501f943ba75588d [0,2,0,0,0,0|1,0,1]=4 2333 B13R0.1293 CCCCCC(C)N[C@@H](C)C(=O)OC a05ef1d8e9e91e0a6f8d6df6fe6cb8db [0,2,0,0,0,0|1,0,1]=4 2334 B13R0.1293 CCCCCC(C)N[C@H](C)C(=O)OC 31d0a9a9e7d3b8ae70e3a044c45d0ef3 [0,2,0,0,0,0|1,0,1]=4 2335 B13R0.1293 CCCCCC(C)OC(C)C(=O)OC 426ccf5e89f89e2fc8fdeee3ecf4a5da [0,2,0,0,0,0|1,0,1]=4 2336 B13R0.1293 CCCCCC(C)O[C@@H](C)C(=O)OC e5884b29e81dd4177a3234ef3cc4d850 [0,2,0,0,0,0|1,0,1]=4 2337 B13R0.1293 CCCCCC(C)O[C@H](C)C(=O)OC 57fb29df7d3d96f80b7c31e0f822a845 [0,2,0,0,0,0|1,0,1]=4 2338 B13R0.1293 CCCCC[C@@H](C)OC(C)C(=O)OC 8844ed674c1f46ced8be29d9a29bcc57 [0,2,0,0,0,0|1,0,1]=4 2339 B13R0.1293 CCCCC[C@@H](C)O[C@@H](C)C(=O)OC 161fb755ca8fcd3f320dee32665ff457 [0,2,0,0,0,0|1,0,1]=4 2340 B13R0.1293 CCCCC[C@@H](C)O[C@H](C)C(=O)OC dbddc1a285c310e4c9c44d70b4898c41 [0,2,0,0,0,0|1,0,1]=4 2341 B13R0.1293 CCCCC[C@H](C)NC(=O)C(=O)OC 8a8523e3f5af3465f21e94582f906cf9 [0,2,0,0,0,0|1,0,1]=4 2342 B13R0.1293 CCCCC[C@H](C)NC(C)C(=O)OC fc83d27c8d20d358bbabfdccad01ba52 [0,2,0,0,0,0|1,0,1]=4 2343 B13R0.1293 CCCCC[C@H](C)N[C@@H](C)C(=O)OC 5759efc9674117f2746d7cd801698105 [0,2,0,0,0,0|1,0,1]=4 2344 B13R0.1293 CCCCC[C@H](C)N[C@H](C)C(=O)OC 0f708bdb4369a6cdbf5000e71aca4649 [0,2,0,0,0,0|1,0,1]=4 2345 B13R0.1293 CCCCC[C@H](C)OC(C)C(=O)OC 61629c74cc718a98a730e2bb8ba71e2d [0,2,0,0,0,0|1,0,1]=4 2346 B13R0.1293 CCCCC[C@H](C)O[C@@H](C)C(=O)OC 593fc50267a2954d97edfd6249558d51 [0,2,0,0,0,0|1,0,1]=4 2347 B13R0.1293 CCCCC[C@H](C)O[C@H](C)C(=O)OC 130de718d9fa248e6ebdf269dc504a08 [0,2,0,0,0,0|1,0,1]=4 2348 B13R0.163 CCC(CC)COCC#CC(=O)OC 7779272c0ea8db7b6c4b3f594cd79cc3 [0,2,0,0,0,0|1,0,0]=3 2349 B13R0.163 CCC(COCC#CC(=O)OC)OC 9648a8195b969007ccaed260e8503718 [0,2,0,0,0,0|1,0,0]=3 2350 B13R0.163 CCN(CC)COCC#CC(=O)OC b1b13e259cc58d2d03ef679c3bc013fe [0,2,0,0,0,0|2,0,0]=4 2351 B13R0.163 COC(=O)C#CCOCC(CBr)CBr 481dfc2fe191dfb665de3dcb02d58a20 [0,2,0,0,0,0|2,0,0]=4 2352 B13R0.163 COC(=O)C#CCOCC(OC)OC 65c4cebc660d3d4f26a116d2c387ab23 [0,2,0,0,0,0|2,0,0]=4 2353 B13R0.194 C=CCCCN(C)CC#CC(=O)OC 44c99e1fd669771ea0f76c11f5a7add4 [0,2,0,0,0,0|0,0,2]=4 2354 B13R0.194 CCCCCC(=O)CNCC(=O)OC 1468b47e26b70aa6bcccda7247f2039c [0,2,0,0,0,0|1,0,1]=4 2355 B13R0.194 CCCCCC(=O)COCC(=O)OC e301c323b0e46ecb5934a2353b572642 [0,2,0,0,0,0|1,0,1]=4 2356 B13R0.194 CCCCCC(C)COCC(=O)OC 5b0135cb9bb188b01b0f9ef44adcfc62 [0,2,0,0,0,0|0,0,2]=4 2357 B13R0.194 CCCCCC(C)NCCC(=O)OC 98960115fc268049b31d11c676a70711 [0,2,0,0,0,0|0,0,2]=4 2358 B13R0.194 CCCCCC(C)NCOC(=O)OC 6ebd52272fdab591fb7f6229d514736d [0,2,0,0,0,0|1,0,1]=4 2359 B13R0.194 CCCCCC(C)OCCC(=O)OC 072957a6513c11279c4892977aa03bf4 [0,2,0,0,0,0|0,0,2]=4 2360 B13R0.194 CCCCCN(C)C/C=C/C(=O)OC 8c28827cd1b0822704ef509bd378658e [0,2,0,0,0,0|0,0,2]=4 2361 B13R0.194 CCCCCN(C)C/C=C\C(=O)OC da867075fa53698ef89e9ae0e2e29796 [0,2,0,0,0,0|0,0,2]=4 2362 B13R0.194 CCCCCN(C)CC=CC(=O)OC 874a634e41e50452d7c6c60e91a1b70f [0,2,0,0,0,0|0,0,2]=4 2363 B13R0.194 CCCCCN(C)CCCC(=O)OC d8679ad335704dc5fada9f0f3e1dcb2c [0,2,0,0,0,0|0,0,2]=4 2364 B13R0.194 CCCCC[C@@H](C)OCCC(=O)OC ceedba82f63534410cf89b7825a0b2c4 [0,2,0,0,0,0|0,0,2]=4 2365 B13R0.194 CCCCC[C@H](C)NCCC(=O)OC b1762e7a537ecefbd306926170fa96e1 [0,2,0,0,0,0|0,0,2]=4 2366 B13R0.194 CCCCC[C@H](C)NCOC(=O)OC 227193d689a124fb232eb4a00ea50863 [0,2,0,0,0,0|1,0,1]=4 2367 B13R0.194 CCCCC[C@H](C)OCCC(=O)OC 1b7d444e8493e5ff444a89307762e9c9 [0,2,0,0,0,0|0,0,2]=4 2368 B13R0.194 CCCCNC(C)CCCC(=O)OC 698631512860397d59499ea087d15ed2 [0,2,0,0,0,0|0,0,2]=4 2369 B13R0.194 CCCCOC(C)CCCC(=O)OC 039e0bb4c8ea4607ef38bc1b3e48b77b [0,2,0,0,0,0|0,0,2]=4 2370 B13R0.194 CCCOCC(C)COCC(=O)OC c412d62522b2bf47c8e850f3c18c6615 [0,2,0,0,0,0|1,0,1]=4 2371 B13R0.194 CCOCCN(C)CC#CC(=O)OC 92ea944911a2f1bf00058f49cbc8e497 [0,2,0,0,0,0|1,0,0]=3 2372 B13R0.194 COCCCN(C)CC#CC(=O)OC 556b52e9ba28dbb6d0197306f21bbb09 [0,2,0,0,0,0|1,0,0]=3 2373 B13R0.208 COC(=O)C#CCN(C)CCC(C)C d446d7f15d9a0ed7365d499033bd26b5 [0,2,0,0,0,0|1,0,0]=3 2374 B13R0.208 COC(=O)C#CCN(C)CCC(C)O bb058da91a739549e3b51b4d122152f3 [0,2,0,0,0,0|1,0,0]=3 2375 B13R0.208 COC(=O)C#CCN(C)CCC(F)F 2d22d03b584b0b3d84511204c831fa12 [0,2,0,0,0,0|2,0,0]=4 2376 B13R0.208 COC(=O)C#CCN(C)CCN(C)C f9f5dda48aeaba4b4b25f175104d8c2c [0,2,0,0,0,0|2,0,0]=4 2377 B13R0.208 COC(=O)CNCC(C)CCC(C)C 4afd58ffc1a569979192be20bc719320 [0,2,0,0,0,0|1,0,1]=4 2378 B13R0.208 COC(=O)COCC(C)CCC(C)C f8eccc4d4346cb3595afe0b2e01c6a31 [0,2,0,0,0,0|1,0,1]=4 2379 B13R0.267 COC(=O)C#CCN(C)C(C)CCO 519300df5dc6793b1916833d24dc6c01 [0,2,0,0,0,0|2,0,0]=4 2380 B13R0.267 COC(=O)C#CCN(C)[C@@H](C)CCO aa0cda63059d7ad15e9ce0e3864d7150 [0,2,0,0,0,0|2,0,0]=4 2381 B13R0.306 CCCCC(CC)CNCC(=O)OC 3b8d1ddcd350c74a49562063b971c809 [0,2,0,0,0,0|1,0,1]=4 2382 B13R0.306 CCCCC(CC)COCC(=O)OC 9514a870cba2c90db3afbfbc8715b1e0 [0,2,0,0,0,0|1,0,1]=4 2383 B13R0.306 CCCC[C@@H](CC)CNCC(=O)OC 1f21af3f8271e148a85d4b4b324c88f6 [0,2,0,0,0,0|1,0,1]=4 2384 B13R0.306 CCCC[C@@H](CC)COCC(=O)OC 03b9b05510d1b6f7283fe20d3eae709f [0,2,0,0,0,0|1,0,1]=4 2385 B13R0.429 CCC(O)CN(C)CC#CC(=O)OC f190c39e9d18c8416aa8092682bcb642 [0,2,0,0,0,0|1,0,0]=3 2386 B13R0.429 COC(=O)C#CCN(C)CC(C)CO cc1ff9393ecf3d43cdf1bb2050dded0b [0,2,0,0,0,0|2,0,0]=4 2387 B13R0.429 COC(=O)C#CCN(C)CC(O)CO bf819421f24bddff2f9849ef45c94bd8 [0,2,0,0,0,0|2,0,0]=4 2388 B13R0.71 COC(=O)CN(C)CCCCC(C)C 6eaf7485b5e4e1d924fe01fbfc058167 [0,2,0,0,0,0|1,0,1]=4 2389 B13R0.71 COC(=O)CN(C)CCCCC(C)O a143c9c633b9aec0dc352a303c9358a1 [0,2,0,0,0,0|1,0,1]=4 2390 B13R0.71 COC(=O)CN(C)CCCC[C@@H](C)O aaada5f8400adae46c088629293dd298 [0,2,0,0,0,0|1,0,1]=4 2391 B13R0.151 CCCCCC(C)N(C)CC(=O)OC e5c2bbd806921c00fc5f922c83cc025a [0,2,0,0,0,0|1,0,1]=4 2392 B13R0.151 CCCCC[C@H](C)N(C)CC(=O)OC 2f77f6d0237cfe389f3b226a85f1e89f [0,2,0,0,0,0|1,0,1]=4 2393 B13R0.274 C=C(CNCCCCC)CC(=O)OC 52dcb0bda19e09ea079658a0b4ca4b56 [0,2,0,0,0,0|0,0,2]=4 2394 B13R0.274 C=C(COCCCCC)CC(=O)OC f6ca2f0ac93345affaf68bb7b9f233fa [0,2,0,0,0,0|0,0,2]=4 2395 B13R0.274 CCCCCCCN(C)CC(=O)OC 596190d2f5d736f4fd66125fd9744770 [0,2,0,0,0,0|0,0,2]=4 2396 B13R0.274 CCCCCCNC(=O)CC(=O)OC f91350f17e8090465cdacf985e4602e5 [0,2,0,0,0,0|0,0,2]=4 2397 B13R0.274 CCCCCCNC(C)CC(=O)OC 7a70574f8ef75d9e06f2b379ac2b0781 [0,2,0,0,0,0|0,0,2]=4 2398 B13R0.274 CCCCCCNC(C)OC(=O)OC 7dcc3c1e4802055566aaf7ee981d5187 [0,2,0,0,0,0|1,0,1]=4 2399 B13R0.274 CCCCCCN[C@@H](C)CC(=O)OC 3e1a0b3cf5bcbbd3f40d8dab95fa1048 [0,2,0,0,0,0|0,0,2]=4 2400 B13R0.274 CCCCCCN[C@H](C)CC(=O)OC b13b935782308901fd6970170eab2536 [0,2,0,0,0,0|0,0,2]=4 2401 B13R0.274 CCCCCCOC(C)CC(=O)OC 7a0e192cb6ed70f7f4949714a2e9e9ef [0,2,0,0,0,0|0,0,2]=4 2402 B13R0.274 CCCCCCOC(C)OC(=O)OC c71a39b7cb01f6ca4d0a818b023de938 [0,2,0,0,0,0|1,0,1]=4 2403 B13R0.274 CCCCCCO[C@@H](C)CC(=O)OC 8d5637ec4cd8a3e0abfa025ae113ddef [0,2,0,0,0,0|0,0,2]=4 2404 B13R0.274 CCCCCCO[C@H](C)CC(=O)OC 561d72264c1f828400f06ff4b8521599 [0,2,0,0,0,0|0,0,2]=4 2405 B13R0.274 CCCCCNCC(=O)CC(=O)OC 2da419cbeb7694e6d22b1044332ba44c [0,2,0,0,0,0|0,0,2]=4 2406 B13R0.274 CCCCCNCC(C)CC(=O)OC a440ad2b72fa67f93a975f52fb505f72 [0,2,0,0,0,0|0,0,2]=4 2407 B13R0.274 CCCCCNCC(O)CC(=O)OC ae769c7aefdbba6a6283b56ee9628ea7 [0,2,0,0,0,0|0,0,2]=4 2408 B13R0.274 CCCCCNC[C@@H](O)CC(=O)OC abfe0cb10ef525f15b6a9f7e64f85145 [0,2,0,0,0,0|0,0,2]=4 2409 B13R0.274 CCCCCNC[C@H](O)CC(=O)OC 76183e31eb7af31599ff2d783d1eaa99 [0,2,0,0,0,0|0,0,2]=4 2410 B13R0.274 CCCCCOCC(=O)CC(=O)OC b7c38cb41a88b2caf98735264879916f [0,2,0,0,0,0|0,0,2]=4 2411 B13R0.274 CCCCCOCC(C)CC(=O)OC 2e72bfc3b250857f75724ca64f24e72a [0,2,0,0,0,0|0,0,2]=4 2412 B13R0.274 CCCCNCC[C@@H](C)CC(=O)OC 8f9c3c9d261bf579d5a4a3330c082caa [0,2,0,0,0,0|0,0,2]=4 2413 B13R0.274 CCCCOCCC(=O)CC(=O)OC c822b82ecaeb14f52e2087e6cf9bbad1 [0,2,0,0,0,0|0,0,2]=4 2414 B13R0.274 CCCCOCCN(C)CC(=O)OC 1e5e3be8b1d1bc2a02ad3f6d5e141aaf [0,2,0,0,0,0|1,0,1]=4 2415 B13R0.274 CCCCOCC[C@@H](C)CC(=O)OC 4b58065cbaddec064c8905e57d8606eb [0,2,0,0,0,0|0,0,2]=4 2416 B13R0.274 CCCOCCCN(C)CC(=O)OC 8974dfb5e1f23491f6da6c6f13d9d53d [0,2,0,0,0,0|1,0,1]=4 2417 B13R0.274 COC(=O)CN(C)CCCCCCF 66c012af046a85663c5143362af12cd8 [0,2,0,0,0,0|1,0,1]=4 2418 B13R0.274 COC(=O)CN(C)CCCCCCO 5e357df4676cb1171d6e20ac2282fc0f [0,2,0,0,0,0|1,0,1]=4 2419 B13R0.274 COCCCCCN(C)CC(=O)OC b724925844687427cc6d4a438bdc79b3 [0,2,0,0,0,0|1,0,1]=4 2420 B13R0.493 COC(=O)CNC(C)CCCC(C)C 6bf008f261d7a9dcad879613298112cf [0,2,0,0,0,0|1,0,1]=4 2421 B13R0.493 COC(=O)COC(C)CCCC(C)C 73969a16054c5c69a9c1a613fe8b78b6 [0,2,0,0,0,0|1,0,1]=4 2422 B13R0.961 CCC(C)CCC(C)OCC(=O)OC fba889d51d684e6bd22957f00df9354d [0,2,0,0,0,0|1,0,1]=4 2423 B13R0.1052 C#CC(CCCCC)OCC(=O)OC 7f21b7e0438e9ae74d587e68f4f6ce89 [0,2,0,0,0,0|1,0,1]=4 2424 B13R0.1052 C#C[C@H](CCCCC)OCC(=O)OC c13fc62d3b333067e50dfced9398a524 [0,2,0,0,0,0|1,0,1]=4 2425 B13R0.1052 C=CC(CCCCC)OCC(=O)OC 391c818630a08f20f1b56f23d4429a20 [0,2,0,0,0,0|1,0,1]=4 2426 B13R0.1052 C=C[C@H](CCCCC)OCC(=O)OC 0a7902661b9a4837163106d55c01e11f [0,2,0,0,0,0|1,0,1]=4 2427 B13R0.1052 CCCCCC(CC)OCC(=O)OC a98d105685bf4b1a3771d88781caa4d7 [0,2,0,0,0,0|1,0,1]=4 2428 B13R0.1052 CCCCC[C@H](CC)OCC(=O)OC 8a887ec9c8bf2b80063803e4e7471204 [0,2,0,0,0,0|1,0,1]=4 2429 B13R0.1170 CCCCCCC(=O)NCC(=O)OC 5891b7ec4cb8c14c623b87a6cccdec90 [0,2,0,0,0,0|0,0,2]=4 2430 B13R0.1170 CCCCCCC(C)NCC(=O)OC 5e0e1d67e2c4abcda96c242818f3f6e4 [0,2,0,0,0,0|0,0,2]=4 2431 B13R0.1170 CCCCCCC(C)OCC(=O)OC 8aa957f7783b2951975afc93a983f475 [0,2,0,0,0,0|0,0,2]=4 2432 B13R0.1170 CCCCCCN(C)CCC(=O)OC 89080b5d8116668c9e38aa31bd4bc48e [0,2,0,0,0,0|0,0,2]=4 2433 B13R0.1170 CCCCCCN(C)COC(=O)OC bfa8f51f011163bdadad867529369850 [0,2,0,0,0,0|1,0,1]=4 2434 B13R0.1170 CCCCCC[C@@H](C)NCC(=O)OC 34042de7ac5d56ff4bb3d6891bfcc530 [0,2,0,0,0,0|0,0,2]=4 2435 B13R0.1170 CCCCCC[C@@H](C)OCC(=O)OC 6537961b7f2fef829d05de7b8ecebc66 [0,2,0,0,0,0|0,0,2]=4 2436 B13R0.1170 CCCCCC[C@H](C)NCC(=O)OC 22f4b962a7a89031beca5127c0ea24d2 [0,2,0,0,0,0|0,0,2]=4 2437 B13R0.1170 CCCCCC[C@H](C)OCC(=O)OC 38002c510a4233f6f48e75682d596d3d [0,2,0,0,0,0|0,0,2]=4 2438 B13R0.1170 CCCCCNC(C)CCC(=O)OC 31e31a33f5aeddbeb5236d35d7a09646 [0,2,0,0,0,0|0,0,2]=4 2439 B13R0.1170 CCCCCOC(C)CCC(=O)OC af265ba50cbadff28afee2325436493a [0,2,0,0,0,0|0,0,2]=4 2440 B13R0.1170 CCCCNCC(C)CCC(=O)OC 12f172c91b54e5a6a861b7b1439506e0 [0,2,0,0,0,0|0,0,2]=4 2441 B13R0.1170 CCCCOCC(C)CCC(=O)OC 556e40150898510530646ccdf357110d [0,2,0,0,0,0|0,0,2]=4 2442 B13R0.1170 CCCCOCC(C)OCC(=O)OC b325cbbd23e7cb36d84e8c7f65415325 [0,2,0,0,0,0|1,0,1]=4 2443 B13R0.1521 CCCC(C)CC(C)OCC(=O)OC ed6dda0128ffbe02a57a71e7775c6bcc [0,2,0,0,0,0|1,0,1]=4 2444 B13R0.204 COC(=O)C#CCNCC(O)C(F)F 6320aa20ef70662f0293122097e983f1 [0,2,0,0,0,0|2,0,0]=4 2445 B13R0.204 COC(=O)C#CCOCC(=O)C(C)C dd80b76cff3ef2d1ec5e701d560e1f5c [0,2,0,0,0,0|1,0,1]=4 2446 B13R0.204 COC(=O)C#CCOCC(C)C(C)C 154a3669df6a58ebe314fa6eb8561ab8 [0,2,0,0,0,0|1,0,0]=3 2447 B13R0.204 COC(=O)C#CCOCC(C)N(C)C f46dc4f8b04813801c30875cc4293cbd [0,2,0,0,0,0|2,0,0]=4 2448 B13R0.204 COC(=O)C#CCOC[C@@H](C)N(C)C af669d4dded3f2f1cc4e9687a45fc844 [0,2,0,0,0,0|2,0,0]=4 2449 B13R0.204 COC(=O)C#CCOC[C@H](C)N(C)C 48ba28e74af182966ae643430c1345e9 [0,2,0,0,0,0|2,0,0]=4 2450 B13R0.952 CCC(C)(C)CNCC#CC(=O)OC ee705204d3c76fd26c12d0f31c79a6ce [0,2,0,0,0,0|1,0,0]=3 2451 B13R0.952 CCC(C)(O)CNCC#CC(=O)OC ab2f8417974234185ec8123a578d58c0 [0,2,0,0,0,0|1,0,0]=3 2452 B13R0.952 CCC(F)(F)COCC#CC(=O)OC c00ba18aebe305bbc2df018da74cb604 [0,2,0,0,0,0|1,0,0]=3 2453 B13R0.952 CCS(=O)(=O)COCC#CC(=O)OC 73f5b1f9f1764e0f955cfafeedc8afbb [0,2,0,0,0,0|2,0,0]=4 2454 B13R0.952 COC(=O)C#CCNCC(C)(C)CF 4f7c58bdcd4ebef5ad6a98392cde5d75 [0,2,0,0,0,0|2,0,0]=4 2455 B13R0.952 COC(=O)C#CCNCC(C)(C)CO 052efa3c86d40573e049894777179299 [0,2,0,0,0,0|2,0,0]=4 2456 B13R0.952 COC(=O)C#CCNCC(C)(C)OC b2e2a6de7778b7a94b10520294c2a725 [0,2,0,0,0,0|2,0,0]=4 2457 B13R0.952 COC(=O)C#CCNCC(F)(F)CO 2b735ad473d91159cdd7da4388301577 [0,2,0,0,0,0|2,0,0]=4 2458 B13R0.952 COC(=O)C#CCOCC(C)(C)CF f93f293132e2ee42390d76d2a1bc0d73 [0,2,0,0,0,0|2,0,0]=4 2459 B13R0.952 COC(=O)C#CCOCC(C)(C)OC 201b0a8fdaa98c3581f6c8deb3c80b5a [0,2,0,0,0,0|2,0,0]=4 2460 B13R0.198 COC(=O)C#CCNC(C)CC(C)C 54f6ad95a8cc00496b86746c90b7349e [0,2,0,0,0,0|1,0,0]=3 2461 B13R0.198 COC(=O)C#CCNC(C)CC(C)O 4fd422e5b4666d276cbd7eaa008f00ac [0,2,0,0,0,0|1,0,0]=3 2462 B13R0.198 COC(=O)C#CCNC(C)CN(C)C 321b5a6183a86b84a605d473a83f5db8 [0,2,0,0,0,0|2,0,0]=4 2463 B13R0.198 COC(=O)C#CCN[C@@H](C)CN(C)C beea2eea573d95cb969fec32ed9abb87 [0,2,0,0,0,0|2,0,0]=4 2464 B13R0.198 COC(=O)C#CCN[C@H](C)CN(C)C 51da7848852f6526217859a809c04a24 [0,2,0,0,0,0|2,0,0]=4 2465 B13R0.198 COC(=O)C#CCOC(C)CC(C)C aacca0615b334aa1ebf5182c7cb9687d [0,2,0,0,0,0|1,0,0]=3 2466 B13R0.198 COC(=O)C#CCOC(C)CN(C)C 6b5db38f4b564d9395464a57ce560470 [0,2,0,0,0,0|2,0,0]=4 2467 B13R0.198 COC(=O)C#CCO[C@@H](C)CC(C)C b4da9c2a6ea42df2e93c933c585c9330 [0,2,0,0,0,0|1,0,0]=3 2468 B13R0.198 COC(=O)C#CCO[C@@H](C)CN(C)C 1df9e81550356af3917fdde9ed7b9654 [0,2,0,0,0,0|2,0,0]=4 2469 B13R0.198 COC(=O)C#CCO[C@H](C)CC(C)C 6f5b3951caeb47fd771d5b6ec4a63156 [0,2,0,0,0,0|1,0,0]=3 2470 B13R0.198 COC(=O)C#CCO[C@H](C)CN(C)C e3991362f0f1f0b46bef069485ea7d7f [0,2,0,0,0,0|2,0,0]=4 2471 B13R0.198 COC(=O)COCCC(C)CC(C)C b7fa1220b3b5efe05a7e4dd32c7f480e [0,2,0,0,0,0|1,0,1]=4 2472 B13R0.201 CCC(=O)CCCCNCC(=O)OC cdc7efaf2562c4b547047796c923387e [0,2,0,0,0,0|1,0,1]=4 2473 B13R0.201 CCC(=O)CCCCOCC(=O)OC b1465b903cefe8b6623ee3a143badaf2 [0,2,0,0,0,0|1,0,1]=4 2474 B13R0.201 CCC(=O)OCOCC#CC(=O)OC 1531a7b3a034cd6739d4a00ec9cff4b9 [0,2,0,0,0,0|1,0,1]=4 2475 B13R0.201 CCC(C)CCCCOCC(=O)OC bca3936823c05c5b78ba2b03b07eed8e [0,2,0,0,0,0|0,0,2]=4 2476 B13R0.201 CCC(C)CCCOCCC(=O)OC ce11343cfb925f9ed65cb43393682f4a [0,2,0,0,0,0|0,0,2]=4 2477 B13R0.201 CCC(C)CCCOCOC(=O)OC b578e5f85345284bd14617fbf9568246 [0,2,0,0,0,0|1,0,1]=4 2478 B13R0.201 CCC(C)CCNC/C=C/C(=O)OC 74b25182a35fcfd4ba362b2ab0ac8be8 [0,2,0,0,0,0|0,0,2]=4 2479 B13R0.201 CCC(C)CCNC/C=C\C(=O)OC f78e120cb64933a31a62433ebfbd4b79 [0,2,0,0,0,0|0,0,2]=4 2480 B13R0.201 CCC(C)CCNCC#CC(=O)OC 821b434c960894dcaf282967612ddd8f [0,2,0,0,0,0|0,0,0]=2 2481 B13R0.201 CCC(C)CCNCC=CC(=O)OC 42a9a945a7e2245f7ecb4952d1c27d74 [0,2,0,0,0,0|0,0,2]=4 2482 B13R0.201 CCC(C)CCNCCCC(=O)OC 493a5638c72a96f250e24d13de568cb8 [0,2,0,0,0,0|0,0,2]=4 2483 B13R0.201 CCC(C)CCOC/C=C/C(=O)OC 4fbefebc5ceb570f62c34240faf4d937 [0,2,0,0,0,0|0,0,2]=4 2484 B13R0.201 CCC(C)CCOC/C=C\C(=O)OC 18cfb1c8db9b02a1ec00bb23dd14f5f2 [0,2,0,0,0,0|0,0,2]=4 2485 B13R0.201 CCC(C)CCOCC#CC(=O)OC bb2353f382e4a8be4111c0f62e029296 [0,2,0,0,0,0|0,0,0]=2 2486 B13R0.201 CCC(C)CCOCC=CC(=O)OC ea364c6f1dfa655fc01229e922d52657 [0,2,0,0,0,0|0,0,2]=4 2487 B13R0.201 CCC(C)CCOCCCC(=O)OC 0df3ab965814398cad4a2d4b6f62e922 [0,2,0,0,0,0|0,0,2]=4 2488 B13R0.201 CCC(C)CCOCCOC(=O)OC a2c45902f9ef4def3fdee0bd1014f6f6 [0,2,0,0,0,0|1,0,1]=4 2489 B13R0.201 CCC(C)CNCCCCC(=O)OC 8a29f44f5ce4a06f23dc556a5b098478 [0,2,0,0,0,0|0,0,2]=4 2490 B13R0.201 CCC(C)CNCCOCC(=O)OC 54014af58cc37212da2f46d92894f740 [0,2,0,0,0,0|1,0,1]=4 2491 B13R0.201 CCC(C)COCCCCC(=O)OC efa1be9fe557993b33bf85be46528a97 [0,2,0,0,0,0|0,0,2]=4 2492 B13R0.201 CCC(C)COCCOCC(=O)OC 6d645c571c9a798bd49cd2a58a86870a [0,2,0,0,0,0|1,0,1]=4 2493 B13R0.201 CCC(C)NCCCCCC(=O)OC e5955a19dbd5ec3f36f8ef6281ec897a [0,2,0,0,0,0|0,0,2]=4 2494 B13R0.201 CCC(C)NCCCOCC(=O)OC 9e8cefe6678d5cf4ab81a82a04deb456 [0,2,0,0,0,0|1,0,1]=4 2495 B13R0.201 CCC(C)NCCCSCC(=O)OC 5dd8c5360532916127838d52147bf9f6 [0,2,0,0,0,0|1,0,1]=4 2496 B13R0.201 CCC(C)OCCCCCC(=O)OC d9648e988fcda489d3f4fd1c89ed88f5 [0,2,0,0,0,0|0,0,2]=4 2497 B13R0.201 CCC(C)OCCCOCC(=O)OC 3b99ba05adf6e82de3098f63677308b0 [0,2,0,0,0,0|1,0,1]=4 2498 B13R0.201 CCC(C)OCCCSCC(=O)OC 4b827780ddb9ea8ff830588ea608c987 [0,2,0,0,0,0|1,0,1]=4 2499 B13R0.201 CCC(O)CNCCCCC(=O)OC c652bcdbc32a5640bbd2d2832cdcd276 [0,2,0,0,0,0|0,0,2]=4 2500 B13R0.201 CCC(O)CNCCOCC(=O)OC 5646ad40c383bfab6540a4044b4bfb37 [0,2,0,0,0,0|1,0,1]=4 2501 B13R0.201 CCC(S)CCOC/C=C/C(=O)OC a57dbd8510483c85d73077783bdaef45 [0,2,0,0,0,0|0,0,2]=4 2502 B13R0.201 CCC(S)CCOC/C=C\C(=O)OC a85476132cf4e75c0dede3ec92b731c6 [0,2,0,0,0,0|0,0,2]=4 2503 B13R0.201 CCC(S)CCOCC#CC(=O)OC 8bfd357a46200648d238e5184216fd9e [0,2,0,0,0,0|0,0,0]=2 2504 B13R0.201 CCC(S)CCOCC=CC(=O)OC b64a2aae40809627a4d6a8fa49445776 [0,2,0,0,0,0|0,0,2]=4 2505 B13R0.201 CCC(S)CCOCCCC(=O)OC 8c33e7062d751a78834af76c4f3c6966 [0,2,0,0,0,0|0,0,2]=4 2506 B13R0.201 CCN(C)CCCCCCC(=O)OC 323fb31fd48116edaf46b11482775e1d [0,2,0,0,0,0|0,0,2]=4 2507 B13R0.201 CCS(=O)CCOCC#CC(=O)OC f26d0a91d5c720ddd5bbb0e3189ef4b3 [0,2,0,0,0,0|1,0,0]=3 2508 B13R0.201 CC[C@@H](C)CNCCCCC(=O)OC de415fd12263b6ba125ae13469b6a8a0 [0,2,0,0,0,0|0,0,2]=4 2509 B13R0.201 CC[C@@H](C)COCCCCC(=O)OC 22363e4b277e0dd85027f62f2142fdc7 [0,2,0,0,0,0|0,0,2]=4 2510 B13R0.201 CC[C@@H](C)COCCOCC(=O)OC 0b2f697a382d22bf45de761d4325812f [0,2,0,0,0,0|1,0,1]=4 2511 B13R0.201 CC[C@@H](C)NCCCCCC(=O)OC af905aea145dd79b1edd9521327837eb [0,2,0,0,0,0|0,0,2]=4 2512 B13R0.201 CC[C@@H](C)NCCCOCC(=O)OC 0309c6000dcbf2d8841d545aa30ce5a1 [0,2,0,0,0,0|1,0,1]=4 2513 B13R0.201 CC[C@@H](C)NCCCSCC(=O)OC f36f85f15fefda41fdeb42a4381ad534 [0,2,0,0,0,0|1,0,1]=4 2514 B13R0.201 CC[C@@H](C)OCCCCCC(=O)OC 7f82b5ad5d8b75148f56f9afd6a0af9a [0,2,0,0,0,0|0,0,2]=4 2515 B13R0.201 CC[C@@H](C)OCCCOCC(=O)OC 920260f259b5238545971786a1b7fbea [0,2,0,0,0,0|1,0,1]=4 2516 B13R0.201 CC[C@@H](C)OCCCSCC(=O)OC 8c6ee1f136fe3210f604066419b84da8 [0,2,0,0,0,0|1,0,1]=4 2517 B13R0.201 CC[C@@H](O)CNCCCCC(=O)OC e8c09b8044de67a0e7ba7a0abd1c64b5 [0,2,0,0,0,0|0,0,2]=4 2518 B13R0.201 CC[C@@H](O)CNCCOCC(=O)OC 15356453407bb6070a716bf16eef49f0 [0,2,0,0,0,0|1,0,1]=4 2519 B13R0.201 CC[C@H](C)CCCCOCC(=O)OC 4ec1fca1bfce83266af7a8b752578806 [0,2,0,0,0,0|0,0,2]=4 2520 B13R0.201 CC[C@H](C)CCCOCCC(=O)OC 1ccbc044459c93db2a6730a226fc0862 [0,2,0,0,0,0|0,0,2]=4 2521 B13R0.201 CC[C@H](C)CCCOCOC(=O)OC 11cb67ce46425a59e4db1c9f6a0718e8 [0,2,0,0,0,0|1,0,1]=4 2522 B13R0.201 CC[C@H](C)CCOC/C=C/C(=O)OC 05753c8085e112d7b12ad3388a00e0d4 [0,2,0,0,0,0|0,0,2]=4 2523 B13R0.201 CC[C@H](C)CCOC/C=C\C(=O)OC 0ae2762e069009759deaf74f2d6f2460 [0,2,0,0,0,0|0,0,2]=4 2524 B13R0.201 CC[C@H](C)CCOCC#CC(=O)OC da0d794256b9928be9c01307eee24270 [0,2,0,0,0,0|0,0,0]=2 2525 B13R0.201 CC[C@H](C)CCOCC=CC(=O)OC 1e449d81f9027b479ce7def457ac034a [0,2,0,0,0,0|0,0,2]=4 2526 B13R0.201 CC[C@H](C)CCOCCCC(=O)OC 7625f68d562b9908d7862b647db5ef0a [0,2,0,0,0,0|0,0,2]=4 2527 B13R0.201 CC[C@H](C)CNCCCCC(=O)OC 755ed67394278788a30a2c2934e53013 [0,2,0,0,0,0|0,0,2]=4 2528 B13R0.201 CC[C@H](C)CNCCOCC(=O)OC de400c3fe760f3fb25ca81c92a6e7895 [0,2,0,0,0,0|1,0,1]=4 2529 B13R0.201 CC[C@H](C)COCCCCC(=O)OC cca1155d8410e74fe7b26ce7919002ce [0,2,0,0,0,0|0,0,2]=4 2530 B13R0.201 CC[C@H](C)COCCOCC(=O)OC c67e00bdd45275d47f6487b05fb38e5b [0,2,0,0,0,0|1,0,1]=4 2531 B13R0.201 CC[C@H](C)NCCCCCC(=O)OC 5d6e7590b8af6ae8839f6fba19fc53e7 [0,2,0,0,0,0|0,0,2]=4 2532 B13R0.201 CC[C@H](C)NCCCOCC(=O)OC cf3780139630b1bf515337363f9ddad5 [0,2,0,0,0,0|1,0,1]=4 2533 B13R0.201 CC[C@H](C)NCCCSCC(=O)OC 7f4b2a44c400fb149d9dedb43c9bd07c [0,2,0,0,0,0|1,0,1]=4 2534 B13R0.201 CC[C@H](C)OCCCCCC(=O)OC 6c043af9e836750bfb4a85355a9f850a [0,2,0,0,0,0|0,0,2]=4 2535 B13R0.201 CC[C@H](C)OCCCOCC(=O)OC 7bc9dcf5061b22b1b1a5e2c416928d47 [0,2,0,0,0,0|1,0,1]=4 2536 B13R0.201 CC[C@H](C)OCCCSCC(=O)OC 4a50fbe0866a63fd6edf6c0bf9b86a7a [0,2,0,0,0,0|1,0,1]=4 2537 B13R0.201 CNC(=O)CCNCC#CC(=O)OC cbbe24edecb9ce42ab7c83b75887fb1d [0,2,0,0,0,0|1,0,1]=4 2538 B13R0.201 CNC(=O)CCOCC#CC(=O)OC 4bde81234dfd83c2c9aca6dc0939e3a3 [0,2,0,0,0,0|1,0,1]=4 2539 B13R0.201 COC(=O)C#CCNCCC(C)CO 9beacb2fbad6075fd6f9d49b0afd60a0 [0,2,0,0,0,0|1,0,0]=3 2540 B13R0.201 COC(=O)C#CCNCCC(O)CO 39a5b8f6cef856bd9cde23a51d24bcbe [0,2,0,0,0,0|1,0,0]=3 2541 B13R0.201 COC(=O)C#CCNCC[C@@H](C)CO b2cf3653e01f46c3dd665d4262945ff6 [0,2,0,0,0,0|1,0,0]=3 2542 B13R0.201 COC(=O)C#CCOCCC(=O)OC ab6bce44cac910b876ccaf3746ef43b1 [0,2,0,0,0,0|1,0,1]=4 2543 B13R0.201 COC(=O)C#CCOCCC(C)OC 0b434a1d6859e624a629232784641ae3 [0,2,0,0,0,0|1,0,0]=3 2544 B13R0.201 COC(=O)C#CCOCCN(C)C#N f9ca63d834a493c561d1a61ad7c0e768 [0,2,0,0,0,0|2,0,0]=4 2545 B13R0.201 COC(=O)C#CCOCCN(C)C=O de385859bd1a4d2c154344d4953d8234 [0,2,0,0,0,0|2,0,0]=4 2546 B13R0.431 COC(=O)C#CCNCCC(C)(C)C 711e8af366050e76e2d3a2b0bebcc390 [0,2,0,0,0,0|1,0,0]=3 2547 B13R0.431 COC(=O)C#CCNCCC(C)(C)F 6806e61ad4ec49fdd71d76a6fb737c7f [0,2,0,0,0,0|1,0,0]=3 2548 B13R0.431 COC(=O)C#CCNCCC(C)(C)O 81d8fc62920a99619abe22038efdab6b [0,2,0,0,0,0|1,0,0]=3 2549 B13R0.431 COC(=O)C#CCNCCC(F)(F)F f34b9310bf99e8166da442700eb8f0fb [0,2,0,0,0,0|2,0,0]=4 2550 B13R0.431 COC(=O)C#CCNCCS(=O)(=O)C d5dfcc0cd7826aa4339a5e0c32be0e68 [0,2,0,0,0,0|2,0,0]=4 2551 B13R0.431 COC(=O)C#CCOCCC(C)(C)C 5e256c8bd075c4ae40e9e11ab7c39eb4 [0,2,0,0,0,0|1,0,0]=3 2552 B13R0.431 COC(=O)C#CCOCCC(C)(C)O 8949f412f9edab5e3b6dd4cd52496ac9 [0,2,0,0,0,0|1,0,0]=3 2553 B13R0.431 COC(=O)C#CCOCCC(C)(C)S c9c730eece30b15ade58b036a87a4fe2 [0,2,0,0,0,0|1,0,0]=3 2554 B13R0.431 COC(=O)C#CCOCCC(C)(F)F c29a3a2ff5590bc329985732b926a457 [0,2,0,0,0,0|1,0,0]=3 2555 B13R0.431 COC(=O)C#CCOCCC(F)(F)F 90d329aa67b819ab395fc9caba892514 [0,2,0,0,0,0|2,0,0]=4 2556 B13R0.431 COC(=O)C#CCOCCS(=N)(=O)C 7846b10ec2b3a22c8abe8738ab1b59b7 [0,2,0,0,0,0|2,0,0]=4 2557 B13R0.431 COC(=O)C#CCOCCS(=O)(=O)C 1b37029e6327cefa42de14797301695d [0,2,0,0,0,0|2,0,0]=4 2558 B13R0.431 COC(=O)COCCCCC(C)(C)C 162d1b670ed14ca9aa4c87a37c4b91ff [0,2,0,0,0,0|1,0,1]=4 2559 B13R0.113 C=CCCC(C)OCC#CC(=O)OC 1527e936efa8faa3e8658fcf95e52462 [0,2,0,0,0,0|0,0,2]=4 2560 B13R0.113 C=CCC[C@@H](C)OCC#CC(=O)OC 358cabcc1f48da4d5c775206ebd9b627 [0,2,0,0,0,0|0,0,2]=4 2561 B13R0.113 CCC#CC(C)OCC#CC(=O)OC 7c717cb467dfcab00a787662de4b582d [0,2,0,0,0,0|0,0,2]=4 2562 B13R0.113 CCCCC(C)CCOCC(=O)OC bfc9db06c5ac4a9cb2040740c7705f78 [0,2,0,0,0,0|0,0,2]=4 2563 B13R0.113 CCCCC(C)COCCC(=O)OC bac3ddd77e3c0bd33e5812b27af0fb9f [0,2,0,0,0,0|0,0,2]=4 2564 B13R0.113 CCCCC(C)COCOC(=O)OC 6ee56e5ce1e0a1035d35f4590f4c14fd [0,2,0,0,0,0|1,0,1]=4 2565 B13R0.113 CCCCC(C)NC/C=C/C(=O)OC 61103b15cbb51c9da689fdf576e8ccaa [0,2,0,0,0,0|0,0,2]=4 2566 B13R0.113 CCCCC(C)NC/C=C\C(=O)OC a840be490f68a4437850b1efb56fe87f [0,2,0,0,0,0|0,0,2]=4 2567 B13R0.113 CCCCC(C)NCC#CC(=O)OC a1ba5261c6eac47be4736804cc9b45fc [0,2,0,0,0,0|0,0,0]=2 2568 B13R0.113 CCCCC(C)NCC=CC(=O)OC 3901389cc5813df1d6e7d5eafa768af2 [0,2,0,0,0,0|0,0,2]=4 2569 B13R0.113 CCCCC(C)NCCCC(=O)OC 9dff844de753c1b9ab7d9c9edfdf7567 [0,2,0,0,0,0|0,0,2]=4 2570 B13R0.113 CCCCC(C)OC/C=C/C(=O)OC b18279a840042a60b516f18a554d6703 [0,2,0,0,0,0|0,0,2]=4 2571 B13R0.113 CCCCC(C)OC/C=C\C(=O)OC 3a0ab83f580b8dd588653c0ade7a960f [0,2,0,0,0,0|0,0,2]=4 2572 B13R0.113 CCCCC(C)OCC#CC(=O)OC c3e181ea65e62fac6299b83541e817d9 [0,2,0,0,0,0|0,0,0]=2 2573 B13R0.113 CCCCC(C)OCC=CC(=O)OC 8e0e8fd4d130d4dc25960873baaa84e3 [0,2,0,0,0,0|0,0,2]=4 2574 B13R0.113 CCCCC(C)OCCCC(=O)OC b3b8c66de23c601d0807fddbebef7c6b [0,2,0,0,0,0|0,0,2]=4 2575 B13R0.113 CCCCC(C)OCCOC(=O)OC 03a3aa1fb9e9b9ccd4d01b0639846555 [0,2,0,0,0,0|1,0,1]=4 2576 B13R0.113 CCCCC(O)CNCCC(=O)OC c08f368333e9a42ba6c5570596ed3740 [0,2,0,0,0,0|0,0,2]=4 2577 B13R0.113 CCCCC(O)CNCOC(=O)OC cde28ad634289e1003ade3ebbd8d0882 [0,2,0,0,0,0|1,0,1]=4 2578 B13R0.113 CCCCN(C)CCCCC(=O)OC 5e458d4f2ed0f85d9b873a938ae9aa48 [0,2,0,0,0,0|0,0,2]=4 2579 B13R0.113 CCCCN(C)CCNCC(=O)OC 4caccedd4a613e4f2b1da8af04d0d022 [0,2,0,0,0,0|1,0,1]=4 2580 B13R0.113 CCCCN(C)CCOCC(=O)OC f2f763194d1251f69625ceab34ebbd28 [0,2,0,0,0,0|1,0,1]=4 2581 B13R0.113 CCCC[C@@H](C)NC/C=C/C(=O)OC 259e2e628daa5597c06bd1879f900300 [0,2,0,0,0,0|0,0,2]=4 2582 B13R0.113 CCCC[C@@H](C)NC/C=C\C(=O)OC e8604b078b3d9eb268858063267e469b [0,2,0,0,0,0|0,0,2]=4 2583 B13R0.113 CCCC[C@@H](C)NCC#CC(=O)OC 1334e639ddd20c383b741ee55b5e596b [0,2,0,0,0,0|0,0,0]=2 2584 B13R0.113 CCCC[C@@H](C)NCC=CC(=O)OC 030c2e26699f6d46c95e64e687b50df7 [0,2,0,0,0,0|0,0,2]=4 2585 B13R0.113 CCCC[C@@H](C)NCCCC(=O)OC 8440aecd67c5d91bd71807c9bcd4bcea [0,2,0,0,0,0|0,0,2]=4 2586 B13R0.113 CCCC[C@@H](C)OC/C=C/C(=O)OC 7bcc38824d025ee8c2785221f5e95836 [0,2,0,0,0,0|0,0,2]=4 2587 B13R0.113 CCCC[C@@H](C)OC/C=C\C(=O)OC d3f68e13aea3f966080968ab93f8a078 [0,2,0,0,0,0|0,0,2]=4 2588 B13R0.113 CCCC[C@@H](C)OCC#CC(=O)OC 737ca2dd40f21b15e0e7a4016a2e0a02 [0,2,0,0,0,0|0,0,0]=2 2589 B13R0.113 CCCC[C@@H](C)OCC=CC(=O)OC 983a3cb8f4b455644dd7740c0e1ae7be [0,2,0,0,0,0|0,0,2]=4 2590 B13R0.113 CCCC[C@@H](C)OCCCC(=O)OC 778779af1efb907e4997574b8153b404 [0,2,0,0,0,0|0,0,2]=4 2591 B13R0.113 CCCC[C@H](C)OC/C=C/C(=O)OC 3387772bdd437bf4d1203dc409e14ec9 [0,2,0,0,0,0|0,0,2]=4 2592 B13R0.113 CCCC[C@H](C)OC/C=C\C(=O)OC 7678a19f0de020f9d7be194122436aef [0,2,0,0,0,0|0,0,2]=4 2593 B13R0.113 CCCC[C@H](C)OCC#CC(=O)OC 2d27afd3bec2ea67486b519329e2d444 [0,2,0,0,0,0|0,0,0]=2 2594 B13R0.113 CCCC[C@H](C)OCC=CC(=O)OC 89248929589fe0a0f78d8fc8eedbfa25 [0,2,0,0,0,0|0,0,2]=4 2595 B13R0.113 CCCC[C@H](C)OCCCC(=O)OC 9f92a503694a9c7d15b82ce6c2798d57 [0,2,0,0,0,0|0,0,2]=4 2596 B13R0.113 CCOCC(C)OCC#CC(=O)OC 4cacae5d4ebbca22d9887e5095cc6ee3 [0,2,0,0,0,0|1,0,0]=3 2597 B13R0.113 COC(=O)C#CCNC(C)CCCO 1090310b08f2a4d46d91c0532cf4b99b [0,2,0,0,0,0|1,0,0]=3 2598 B13R0.113 COC(=O)C#CCN[C@H](C)CCCO 852998c56c9648ba869a96e9a720c955 [0,2,0,0,0,0|1,0,0]=3 2599 B13R0.113 COC(=O)C#CCOC(C)CCC#N 67687a8819cd3bc4c031869935e3b28b [0,2,0,0,0,0|1,0,1]=4 2600 B13R0.113 COCCC(C)OCC#CC(=O)OC 188daa852943913d25fed8e041c9f5f8 [0,2,0,0,0,0|1,0,0]=3 2601 B13R0.147 C#CCCCCCCNCC(=O)OC 7c5b6f84fd323de12188248a10f1f965 [0,2,0,0,0,0|1,0,1]=4 2602 B13R0.147 C#CCCCCCCOCC(=O)OC 123852f7b7f20f28aae245564def7aa2 [0,2,0,0,0,0|1,0,1]=4 2603 B13R0.147 C#CCCCCNCC#CC(=O)OC d3a7751f0e1a2e089730b2095b2e7475 [0,2,0,0,0,0|0,0,1]=3 2604 B13R0.147 C#CCCCCOCC#CC(=O)OC 80830cb4098dafcd4ffdba66a1b127ad [0,2,0,0,0,0|0,0,1]=3 2605 B13R0.147 C#CCOCCNCC#CC(=O)OC bb2d965a9245163eaa510f1f2b722bcd [0,2,0,0,0,0|0,0,2]=4 2606 B13R0.147 C#CCOCCOCC#CC(=O)OC e949a097596104faee26be0aa028ebac [0,2,0,0,0,0|0,0,2]=4 2607 B13R0.147 C/C=C/CCCOCC#CC(=O)OC 95c6154095bfbb5e6734aa23b4a5686d [0,2,0,0,0,0|0,0,1]=3 2608 B13R0.147 C/C=C\CCCOCC#CC(=O)OC 8b571ed242efce0774877b265432c31b [0,2,0,0,0,0|0,0,1]=3 2609 B13R0.147 C=CCCCCCCNCC(=O)OC bc6993a9f15cb7a8a251cead61d029cd [0,2,0,0,0,0|1,0,1]=4 2610 B13R0.147 C=CCCCCCCOCC(=O)OC 6f489cdfc096a6a016b833330a6dac3c [0,2,0,0,0,0|1,0,1]=4 2611 B13R0.147 C=CCCCCNCC#CC(=O)OC a13207633d3713914702d4fb2300faa7 [0,2,0,0,0,0|0,0,1]=3 2612 B13R0.147 C=CCCCCOCC#CC(=O)OC c3ab44a3a881a47f7835e3ea63f82ee7 [0,2,0,0,0,0|0,0,1]=3 2613 B13R0.147 C=CCOCCOCC#CC(=O)OC 607c0c4c484f8dda2a7e334a742e5023 [0,2,0,0,0,0|0,0,2]=4 2614 B13R0.147 C=COCCCNCC#CC(=O)OC 63c049e1ac0edff43e1d7b0c6c4310c7 [0,2,0,0,0,0|0,0,2]=4 2615 B13R0.147 CC#CCCCOCC#CC(=O)OC 2142c6d742001f427932774727260421 [0,2,0,0,0,0|0,0,1]=3 2616 B13R0.147 CC/C=C/CCOCC#CC(=O)OC 5e61b5fef58ebf19839477da9cb13099 [0,2,0,0,0,0|0,0,1]=3 2617 B13R0.147 CC/C=C\CCCCOCC(=O)OC 1048987753bc07b39e8f47d9c29d81d3 [0,2,0,0,0,0|1,0,1]=4 2618 B13R0.147 CC/C=C\CCOCC#CC(=O)OC 642c0c0d9fa59d4f90b06df93827f865 [0,2,0,0,0,0|0,0,1]=3 2619 B13R0.147 CC=C=CCCOCC#CC(=O)OC 168e27e3c0863727fee2a395e1349409 [0,2,0,0,0,0|0,0,2]=4 2620 B13R0.147 CC=CCCCOCC#CC(=O)OC 8c8ae29aa57fa28b4971ff795a275778 [0,2,0,0,0,0|0,0,1]=3 2621 B13R0.147 CCC#CCCOCC#CC(=O)OC ef3a782859c9217ed50707d1e7f11fd8 [0,2,0,0,0,0|0,0,1]=3 2622 B13R0.147 CCC/C=C/CCCOCC(=O)OC 94c145a76b69f639541f9691c61bc10b [0,2,0,0,0,0|1,0,1]=4 2623 B13R0.147 CCC/C=C/COCC#CC(=O)OC 000ce7c30acc10213cb36ffe034b65e2 [0,2,0,0,0,0|0,0,1]=3 2624 B13R0.147 CCC/C=C\CCCOCC(=O)OC 97a2859f02e6d4bc437cc3398bfeb3d8 [0,2,0,0,0,0|1,0,1]=4 2625 B13R0.147 CCC/C=C\COCC#CC(=O)OC 522b28628e08c88629df223ef9b9ef2f [0,2,0,0,0,0|0,0,1]=3 2626 B13R0.147 CCCC/C=C\CCOCC(=O)OC 647f3fb6b9fb857c1ee949f0aaee7a7b [0,2,0,0,0,0|1,0,1]=4 2627 B13R0.147 CCCCC#CCCOCC(=O)OC b05bf0972f110d2b67651f58d582b7a6 [0,2,0,0,0,0|1,0,1]=4 2628 B13R0.147 CCCCC/C=C/COCC(=O)OC 768a84171437a38e10ec8b7710c94731 [0,2,0,0,0,0|1,0,1]=4 2629 B13R0.147 CCCCCC#CCOCC(=O)OC 0f815a0634cf1143ff8296ea96b45088 [0,2,0,0,0,0|0,0,2]=4 2630 B13R0.147 CCCCCCCCNCC(=O)OC 2ae9ea9c59c8976c9984601465b5b02d [0,2,0,0,0,0|0,0,2]=4 2631 B13R0.147 CCCCCCCCOCC(=O)OC 28a5946e499ca9a413bae6ef00eed1eb [0,2,0,0,0,0|0,0,2]=4 2632 B13R0.147 CCCCCCCNCCC(=O)OC 7d2596dcada6929b32da4dc69c088282 [0,2,0,0,0,0|0,0,2]=4 2633 B13R0.147 CCCCCCCNCOC(=O)OC ef744a9924168dd75498307a54023295 [0,2,0,0,0,0|0,0,2]=4 2634 B13R0.147 CCCCCCCOCCC(=O)OC 71cd9b89c3422aa8005afc8ac30b8e5e [0,2,0,0,0,0|0,0,2]=4 2635 B13R0.147 CCCCCCCOCOC(=O)OC 8f744e5c0921058dd60487b0b34e1586 [0,2,0,0,0,0|0,0,2]=4 2636 B13R0.147 CCCCCCNC/C=C/C(=O)OC da65ca5fca4de657aadbe3d855541080 [0,2,0,0,0,0|0,0,2]=4 2637 B13R0.147 CCCCCCNC/C=C\C(=O)OC 417afe7fbdae5499ca563b2962e78af7 [0,2,0,0,0,0|0,0,2]=4 2638 B13R0.147 CCCCCCNCC#CC(=O)OC d836ee9d0380a1a145644f2da52fdd9b [0,2,0,0,0,0|0,0,0]=2 2639 B13R0.147 CCCCCCNCC=CC(=O)OC 86a086a24c5c088422f5a0ecb3e0f6c7 [0,2,0,0,0,0|0,0,2]=4 2640 B13R0.147 CCCCCCNCCCC(=O)OC 78467be93127cc6a8620ff69cb262067 [0,2,0,0,0,0|0,0,2]=4 2641 B13R0.147 CCCCCCOC/C=C/C(=O)OC 0b65a61de6b5df8ca86801402fff08df [0,2,0,0,0,0|0,0,2]=4 2642 B13R0.147 CCCCCCOC/C=C\C(=O)OC ff086bc80eb704cc5bf67d9b169606cc [0,2,0,0,0,0|0,0,2]=4 2643 B13R0.147 CCCCCCOCC#CC(=O)OC 5bf4c78e62aad92beffcac182c03b2c4 [0,2,0,0,0,0|0,0,0]=2 2644 B13R0.147 CCCCCCOCC=CC(=O)OC 187d143181422d47aa30aa1184b9a897 [0,2,0,0,0,0|0,0,2]=4 2645 B13R0.147 CCCCCCOCCCC(=O)OC 83b21499363d4744613a93318c3a0fe3 [0,2,0,0,0,0|0,0,2]=4 2646 B13R0.147 CCCCCCOCCOC(=O)OC ca0c8312f5970ba6379358a47a0bf4a7 [0,2,0,0,0,0|0,0,2]=4 2647 B13R0.147 CCCCCNCCCCC(=O)OC 46a7e105511c0c93f9cb151aa4f15e47 [0,2,0,0,0,0|0,0,2]=4 2648 B13R0.147 CCCCCNCCOCC(=O)OC a99720efb337f3a99f05f18b9d1adf0a [0,2,0,0,0,0|0,0,2]=4 2649 B13R0.147 CCCCCOCCCCC(=O)OC 980807aea6e63d008afe797fc55d3688 [0,2,0,0,0,0|0,0,2]=4 2650 B13R0.147 CCCCCOCCOCC(=O)OC 0878aa26c2805e739923d92740a69332 [0,2,0,0,0,0|0,0,2]=4 2651 B13R0.147 CCCCNCCCCCC(=O)OC a815ffae1e1916161e83c058cacea182 [0,2,0,0,0,0|0,0,2]=4 2652 B13R0.147 CCCCNCCCOCC(=O)OC 8807eb8490eaeee4675d5567d5ec35f1 [0,2,0,0,0,0|0,0,2]=4 2653 B13R0.147 CCCCNCCCSCC(=O)OC 3922c1148c4b9eedb1071ee5fd759fb5 [0,2,0,0,0,0|0,0,2]=4 2654 B13R0.147 CCCCOCCCCCC(=O)OC 970a443bfeac90c9af69acf488d88f4a [0,2,0,0,0,0|0,0,2]=4 2655 B13R0.147 CCCCOCCCNCC(=O)OC 024098cb3d06922ee02681a4f6ab3892 [0,2,0,0,0,0|0,0,2]=4 2656 B13R0.147 CCCCOCCCOCC(=O)OC a6e60ce4775ff488082b3fb910f71a7c [0,2,0,0,0,0|0,0,2]=4 2657 B13R0.147 CCCCOCCCSCC(=O)OC d8e748891611d5e8033485af8eb5aa49 [0,2,0,0,0,0|0,0,2]=4 2658 B13R0.147 CCCCOCCNCCC(=O)OC 3e70946ee01dab70d6f363ff1acb7a5d [0,2,0,0,0,0|0,0,2]=4 2659 B13R0.147 CCCCOCCNCOC(=O)OC 8ac29e1c190bca969236a0c4634acd5e [0,2,0,0,0,0|1,0,1]=4 2660 B13R0.147 CCCCOCCOCCC(=O)OC 1d4e0c844077f26b296288803bc12926 [0,2,0,0,0,0|0,0,2]=4 2661 B13R0.147 CCCCOCCOCOC(=O)OC 7c10dc80a579663c95da5db2d0db7da1 [0,2,0,0,0,0|1,0,1]=4 2662 B13R0.147 CCCCOCNCCCC(=O)OC 2157e5d379a01a8fc2aa0fe3ae11ff9a [0,2,0,0,0,0|0,0,2]=4 2663 B13R0.147 CCCCOCOC/C=C/C(=O)OC 97f95a7947f81abab4cd917157beeb7d [0,2,0,0,0,0|0,0,2]=4 2664 B13R0.147 CCCCOCOCC#CC(=O)OC ccf528e0b6eee1ac6ccf12dffdc85bd3 [0,2,0,0,0,0|0,0,0]=2 2665 B13R0.147 CCCCOCOCCOC(=O)OC 5215a4a99a143422ad4922f94038223a [0,2,0,0,0,0|1,0,1]=4 2666 B13R0.147 CCCCSCCOCCC(=O)OC b37e61833de65a56088831f6085d00d9 [0,2,0,0,0,0|0,0,2]=4 2667 B13R0.147 CCCCSCCOCOC(=O)OC 6fd6df1791e577b60298985f75c35302 [0,2,0,0,0,0|1,0,1]=4 2668 B13R0.147 CCCNCCCCCCC(=O)OC 62f8a1b7de961688139cc6bfc52af8c3 [0,2,0,0,0,0|0,0,2]=4 2669 B13R0.147 CCCOCCCCCCC(=O)OC f22704949f18012fcce5f0588f5c567c [0,2,0,0,0,0|0,0,2]=4 2670 B13R0.147 CCCOCCCNCCC(=O)OC 44292ab72f0f0ab9ac8dd53f3ce4f620 [0,2,0,0,0,0|0,0,2]=4 2671 B13R0.147 CCCOCCCNCOC(=O)OC 4b55313fde6f4fa9b00f47ec979514cb [0,2,0,0,0,0|1,0,1]=4 2672 B13R0.147 CCCOCCCOCCC(=O)OC 113264964a3acc4a6b06d77361e4af5a [0,2,0,0,0,0|0,0,2]=4 2673 B13R0.147 CCCOCCNC/C=C/C(=O)OC 14cfc87e69b229b39ecfcb08598679ae [0,2,0,0,0,0|0,0,2]=4 2674 B13R0.147 CCCOCCNC/C=C\C(=O)OC 77120db74c41db42b92e96e715af7e01 [0,2,0,0,0,0|0,0,2]=4 2675 B13R0.147 CCCOCCNCC#CC(=O)OC ef14759a5fb0702b807df7c7360c3ee5 [0,2,0,0,0,0|0,0,0]=2 2676 B13R0.147 CCCOCCNCC=CC(=O)OC 189dfc24281c875ae3a9b4dc36ae7db7 [0,2,0,0,0,0|0,0,2]=4 2677 B13R0.147 CCCOCCNCCCC(=O)OC f87e411d154823d260bce14713fe773f [0,2,0,0,0,0|0,0,2]=4 2678 B13R0.147 CCCOCCOC/C=C/C(=O)OC 4268c63cf9f00056858bfc538c49cfea [0,2,0,0,0,0|0,0,2]=4 2679 B13R0.147 CCCOCCOC/C=C\C(=O)OC 39671ce28538bb35e05034417a33e75b [0,2,0,0,0,0|0,0,2]=4 2680 B13R0.147 CCCOCCOCC#CC(=O)OC b7b6b687623939e1f8d7a199df0f4e06 [0,2,0,0,0,0|0,0,0]=2 2681 B13R0.147 CCCOCCOCC=CC(=O)OC 4b498c7837249279bef1b340b21fb923 [0,2,0,0,0,0|0,0,2]=4 2682 B13R0.147 CCCOCCOCCCC(=O)OC 84aa2ca0afab435a31a348ef148418be [0,2,0,0,0,0|0,0,2]=4 2683 B13R0.147 CCCOCCOCCOC(=O)OC c07717e100b5f378e7e5b75210c35d37 [0,2,0,0,0,0|1,0,1]=4 2684 B13R0.147 CCCSCCCCNCC(=O)OC 06322cc889b5d231cf670e3b262ed658 [0,2,0,0,0,0|0,0,2]=4 2685 B13R0.147 CCCSCCOC/C=C/C(=O)OC 453020b1861c989f96788d18615d7dec [0,2,0,0,0,0|0,0,2]=4 2686 B13R0.147 CCCSCCOC/C=C\C(=O)OC 0115d1964607b4081fb108953992f4e9 [0,2,0,0,0,0|0,0,2]=4 2687 B13R0.147 CCCSCCOCC#CC(=O)OC 1da229198489fe709a3fa5f01b25735a [0,2,0,0,0,0|0,0,0]=2 2688 B13R0.147 CCCSCCOCC=CC(=O)OC 1411f9ab8cfa0ccae7c73dd6b3b7ab2d [0,2,0,0,0,0|0,0,2]=4 2689 B13R0.147 CCCSCCOCCCC(=O)OC 4cf3a02cfa7c32a6367dcbd98a87b1b1 [0,2,0,0,0,0|0,0,2]=4 2690 B13R0.147 CCNCCCCCCCC(=O)OC 7489671079ef4bbb11b756d13d5984fb [0,2,0,0,0,0|0,0,2]=4 2691 B13R0.147 CCNCCOCCOCC(=O)OC cb0d5789ceed3fded9cffae307f58277 [0,2,0,0,0,0|1,0,1]=4 2692 B13R0.147 CCOCCCCCCCC(=O)OC f0bf047e1cf69e0c5d7b51c202029115 [0,2,0,0,0,0|0,0,2]=4 2693 B13R0.147 CCOCCCNC/C=C/C(=O)OC 2a63316e0b221c9011deeff56a32731f [0,2,0,0,0,0|0,0,2]=4 2694 B13R0.147 CCOCCCNC/C=C\C(=O)OC 0361bedb6700a88470f687bcc7ee4a53 [0,2,0,0,0,0|0,0,2]=4 2695 B13R0.147 CCOCCCNCC#CC(=O)OC 32f44e798ce10c2c775eec984e503e97 [0,2,0,0,0,0|0,0,0]=2 2696 B13R0.147 CCOCCCNCC=CC(=O)OC 795cb3bb89b63788bce740e2ba6bd28b [0,2,0,0,0,0|0,0,2]=4 2697 B13R0.147 CCOCCCNCCCC(=O)OC 4b3c9307afbfbc4bd49664de3ba940a8 [0,2,0,0,0,0|0,0,2]=4 2698 B13R0.147 CCOCCCOC/C=C/C(=O)OC 5a66168a74d2aa4ec8ac912989790123 [0,2,0,0,0,0|0,0,2]=4 2699 B13R0.147 CCOCCCOC/C=C\C(=O)OC bc7bf529ffba10806a14ffb5c5775ec8 [0,2,0,0,0,0|0,0,2]=4 2700 B13R0.147 CCOCCCOCC#CC(=O)OC 00519fcc0df2a2a8233cc61092f15e97 [0,2,0,0,0,0|0,0,0]=2 2701 B13R0.147 CCOCCCOCC=CC(=O)OC 9ef352b9ab299e25f2db76891ff5d5b4 [0,2,0,0,0,0|0,0,2]=4 2702 B13R0.147 CCOCCCOCCCC(=O)OC 42edd5f705e507154840d442ed6b8239 [0,2,0,0,0,0|0,0,2]=4 2703 B13R0.147 CCOCCCOCCOC(=O)OC 17322c6f4d269b1de7dddd56e9359bd5 [0,2,0,0,0,0|1,0,1]=4 2704 B13R0.147 CCOCCNCCCCC(=O)OC 06757eb196c0be223d5e9aa529a398de [0,2,0,0,0,0|0,0,2]=4 2705 B13R0.147 CCOCCNCCOCC(=O)OC 9f21c743c11151182641a5178ee31bf4 [0,2,0,0,0,0|1,0,1]=4 2706 B13R0.147 CCOCCOCCCCC(=O)OC 77e228336d7fd7ccb7d98ded8ed7fbc6 [0,2,0,0,0,0|0,0,2]=4 2707 B13R0.147 CCOCCOCCNCC(=O)OC 45e4e6057a0318a191d861071582b135 [0,2,0,0,0,0|1,0,1]=4 2708 B13R0.147 CCOCCOCCOCC(=O)OC 68a0d11000cf5a1eb6935cea50dff4ca [0,2,0,0,0,0|1,0,1]=4 2709 B13R0.147 CCOCNCCCCCC(=O)OC 2c1da15d75fb2d43cb7dd0cb68231f94 [0,2,0,0,0,0|0,0,2]=4 2710 B13R0.147 CCOCOCCCCCC(=O)OC 349013e30799659976273f1f8e820ce4 [0,2,0,0,0,0|0,0,2]=4 2711 B13R0.147 CCOCOCCCOCC(=O)OC 2989227bc5d95d869c919e89b3ca411f [0,2,0,0,0,0|1,0,1]=4 2712 B13R0.147 CCSCCCCNCCC(=O)OC 4a33f4f044bf51fc248ee6c23ed0509e [0,2,0,0,0,0|0,0,2]=4 2713 B13R0.147 CCSCCCCNCOC(=O)OC 372d0ce0a6630758224cc6ece4351202 [0,2,0,0,0,0|1,0,1]=4 2714 B13R0.147 CCSCCCNCCCC(=O)OC fe4cbcbc67ef9c351cbba6579b6b34fa [0,2,0,0,0,0|0,0,2]=4 2715 B13R0.147 CCSCCCOC/C=C/C(=O)OC 9585ce729183f014a8c5adb3c00b6777 [0,2,0,0,0,0|0,0,2]=4 2716 B13R0.147 CCSCCCOC/C=C\C(=O)OC 71d00011a5545bdf85fde8d3779c44eb [0,2,0,0,0,0|0,0,2]=4 2717 B13R0.147 CCSCCCOCC#CC(=O)OC 9c294805889beafc376a1145ae151552 [0,2,0,0,0,0|0,0,0]=2 2718 B13R0.147 CCSCCCOCC=CC(=O)OC a9af8a78fe237672026ea4176ee9eaa8 [0,2,0,0,0,0|0,0,2]=4 2719 B13R0.147 CCSCCCOCCCC(=O)OC 4dec2d7036da25097c4bf3b604afebbd [0,2,0,0,0,0|0,0,2]=4 2720 B13R0.147 CCSCCCOCCOC(=O)OC f6bbf27127c98ca3a66d6a91c7aa52c6 [0,2,0,0,0,0|1,0,1]=4 2721 B13R0.147 CCSCCNCCCCC(=O)OC 19ba0eea8562f2866468a02bbc42f471 [0,2,0,0,0,0|0,0,2]=4 2722 B13R0.147 CCSCCNCCOCC(=O)OC ab4d8f7e9ed8f93a1cd4108f8982581c [0,2,0,0,0,0|1,0,1]=4 2723 B13R0.147 CCSCCOCCCCC(=O)OC 6eec5c8866be9f6433f6c6f357b018fa [0,2,0,0,0,0|0,0,2]=4 2724 B13R0.147 CCSCCOCCOCC(=O)OC 08ee523f722ea6d497ca058fe813f443 [0,2,0,0,0,0|1,0,1]=4 2725 B13R0.147 COC(=O)/C=C/CNCCCCCCl 97e01282742e1d3f35c04bde5f4adb70 [0,2,0,0,0,0|0,0,2]=4 2726 B13R0.147 COC(=O)/C=C/CNCCCCCO 38ded3ec96741f4a6eb51aada62c5e84 [0,2,0,0,0,0|0,0,2]=4 2727 B13R0.147 COC(=O)/C=C/CNCCCCSC 5a5f596767e8c3cdbfd3bc501ac732f1 [0,2,0,0,0,0|0,0,2]=4 2728 B13R0.147 COC(=O)/C=C/COCCCCCF 354358d87563d514938186c425472fcc [0,2,0,0,0,0|0,0,2]=4 2729 B13R0.147 COC(=O)/C=C/COCCCCSC 50faf198a2776e89c8fb6ea3859b62e5 [0,2,0,0,0,0|0,0,2]=4 2730 B13R0.147 COC(=O)/C=C\CNCCCCCCl 8f059036f1548c2ab094f6b1e87186bf [0,2,0,0,0,0|0,0,2]=4 2731 B13R0.147 COC(=O)/C=C\CNCCCCCO 90a6b8b3c5f3dcbff19c749d73132ad3 [0,2,0,0,0,0|0,0,2]=4 2732 B13R0.147 COC(=O)/C=C\CNCCCCSC c15a420cdc88d6480745fe698adf3e86 [0,2,0,0,0,0|0,0,2]=4 2733 B13R0.147 COC(=O)/C=C\COCCCCSC 52ee1068b1d5769923b0af458cd20738 [0,2,0,0,0,0|0,0,2]=4 2734 B13R0.147 COC(=O)C#CCNCCCCC#N e025389315200e12f1851b3679586794 [0,2,0,0,0,0|0,0,1]=3 2735 B13R0.147 COC(=O)C#CCNCCCCCCl 2ac7eefd601a0c14a23b9a839443f111 [0,2,0,0,0,0|0,0,0]=2 2736 B13R0.147 COC(=O)C#CCNCCCCCO 77f4446cea67f17f6a5ad98d8e321d2c [0,2,0,0,0,0|0,0,0]=2 2737 B13R0.147 COC(=O)C#CCNCCCCSC ee2005144f9e30469010e2203b99e780 [0,2,0,0,0,0|0,0,0]=2 2738 B13R0.147 COC(=O)C#CCNCCOCCO 8b6e1a5333937b68ca3accc9e8bfc67e [0,2,0,0,0,0|1,0,0]=3 2739 B13R0.147 COC(=O)C#CCNCCOCCS 7f67fb9d8bba54b8b8aa12709088526e [0,2,0,0,0,0|1,0,0]=3 2740 B13R0.147 COC(=O)C#CCNCCSCCO d632b4b6186d6afee09ee9cbc58507df [0,2,0,0,0,0|1,0,0]=3 2741 B13R0.147 COC(=O)C#CCOCCCCC#N e64f905743d50dd7b1a7cf668a78c796 [0,2,0,0,0,0|0,0,1]=3 2742 B13R0.147 COC(=O)C#CCOCCCCC=O b120e32aa3358b6963f567c85a392b59 [0,2,0,0,0,0|0,0,1]=3 2743 B13R0.147 COC(=O)C#CCOCCCCCF 94a664ed99ee842360990a0410dd0f54 [0,2,0,0,0,0|0,0,0]=2 2744 B13R0.147 COC(=O)C#CCOCCCCSC 9dcfb054231d27b5fcaeafb5b7f4570d [0,2,0,0,0,0|0,0,0]=2 2745 B13R0.147 COC(=O)C#CCOCCOCC#N ba996ea2e8732e4767658eb5a30f826e [0,2,0,0,0,0|1,0,1]=4 2746 B13R0.147 COC(=O)C#CCOCCOCC=O df0da33bda8cdb34590c909727a99125 [0,2,0,0,0,0|1,0,1]=4 2747 B13R0.147 COC(=O)C#CCOCCOCCF 8ca18637e6ecb829865ad9f34476c6e6 [0,2,0,0,0,0|1,0,0]=3 2748 B13R0.147 COC(=O)C#CCOCCOCCS be357b59cd4fd943fa85205f1c1ff3a8 [0,2,0,0,0,0|1,0,0]=3 2749 B13R0.147 COC(=O)C=CCNCCCCCCl 5471908545b00521855b31aedad77ae2 [0,2,0,0,0,0|0,0,2]=4 2750 B13R0.147 COC(=O)C=CCNCCCCCO 8519555062ba40fae648d489db29dd90 [0,2,0,0,0,0|0,0,2]=4 2751 B13R0.147 COC(=O)C=CCNCCCCSC e5ce8312407e7fa07f5e884f17a408bd [0,2,0,0,0,0|0,0,2]=4 2752 B13R0.147 COC(=O)C=CCOCCCCSC a33b4daa4c0ded6d200b6742d790e9f1 [0,2,0,0,0,0|0,0,2]=4 2753 B13R0.147 COC(=O)CCCCCCCNCF a8ee8da366a75f8b9904c72aa34a6e9a [0,2,0,0,0,0|0,0,2]=4 2754 B13R0.147 COC(=O)CCCCCCCNCO e9ffd08bcc13f1bc24e9e035718898d1 [0,2,0,0,0,0|0,0,2]=4 2755 B13R0.147 COC(=O)CCCCCCCOCF d69c2f6e240d3e0270efb38199ff319b [0,2,0,0,0,0|0,0,2]=4 2756 B13R0.147 COC(=O)CCCCCCNCCBr 4373850f450c665fc093e62ad21addad [0,2,0,0,0,0|0,0,2]=4 2757 B13R0.147 COC(=O)CCCCCCNCCF 1ee7d55485d0ef0d0bcfce8fc2dcc494 [0,2,0,0,0,0|0,0,2]=4 2758 B13R0.147 COC(=O)CCCCCCNCCI 3fb8db4404a1474976955247c8350071 [0,2,0,0,0,0|0,0,2]=4 2759 B13R0.147 COC(=O)CCCCCCNCCO 2f24700e49e8f363609dc28431116cef [0,2,0,0,0,0|0,0,2]=4 2760 B13R0.147 COC(=O)CCCCCCNCCS 06db1d056d9126aa82cc5c6183392f77 [0,2,0,0,0,0|0,0,2]=4 2761 B13R0.147 COC(=O)CCCCCCNCSC 4271a8a2929dde83064fc44507f666c1 [0,2,0,0,0,0|0,0,2]=4 2762 B13R0.147 COC(=O)CCCCCCOCCF bf5f616cb32262d861730bb10fc3b3f6 [0,2,0,0,0,0|0,0,2]=4 2763 B13R0.147 COC(=O)CCCCCCOCCS a3362ae7175f3ce2c4afece78e40185a [0,2,0,0,0,0|0,0,2]=4 2764 B13R0.147 COC(=O)CCCCCCOCSC 0adda32d5b6bbfefb0f1a0b5c2e6e997 [0,2,0,0,0,0|0,0,2]=4 2765 B13R0.147 COC(=O)CCCCCNCCCCl e7f2355ee871e73e1048b21bf57fa728 [0,2,0,0,0,0|0,0,2]=4 2766 B13R0.147 COC(=O)CCCCCNCCCF d788a9b2c6269ad20834645d61c13516 [0,2,0,0,0,0|0,0,2]=4 2767 B13R0.147 COC(=O)CCCCCNCCCO 0a435806f24fab99402538b5f3f82cda [0,2,0,0,0,0|0,0,2]=4 2768 B13R0.147 COC(=O)CCCCCNCCCS 81b1117264a03b86b146bfaf3bd05ec1 [0,2,0,0,0,0|0,0,2]=4 2769 B13R0.147 COC(=O)CCCCCNCCSC 9da0291d557d1a37a989ebb22f464780 [0,2,0,0,0,0|0,0,2]=4 2770 B13R0.147 COC(=O)CCCCCOCCCF 8d5234544a95e0f24db572fe433d1a24 [0,2,0,0,0,0|0,0,2]=4 2771 B13R0.147 COC(=O)CCCCCOCCCS 6cfd6992d68e6f19a560f1b91fc7d192 [0,2,0,0,0,0|0,0,2]=4 2772 B13R0.147 COC(=O)CCCCCOCCSC ee286d98d6bc4def5949dc7336628b00 [0,2,0,0,0,0|0,0,2]=4 2773 B13R0.147 COC(=O)CCCCNCCCCCl 7f629bfce31e778bb48187fa620d0b45 [0,2,0,0,0,0|0,0,2]=4 2774 B13R0.147 COC(=O)CCCCNCCCCF a34c7bace4ad7d8f27ec753a6b660535 [0,2,0,0,0,0|0,0,2]=4 2775 B13R0.147 COC(=O)CCCCNCCCCO 6d14c174f81081eb42ac77efdaaf40dc [0,2,0,0,0,0|0,0,2]=4 2776 B13R0.147 COC(=O)CCCCNCCCCS e2d19bf1e4aa9a5180e40a6e19049fa6 [0,2,0,0,0,0|0,0,2]=4 2777 B13R0.147 COC(=O)CCCCNCCCSC 37e049a533038ef7bf4c4600d967db3f [0,2,0,0,0,0|0,0,2]=4 2778 B13R0.147 COC(=O)CCCCOCCCCF 0efbc1d65709e779f9ccb56e51329210 [0,2,0,0,0,0|0,0,2]=4 2779 B13R0.147 COC(=O)CCCCOCCCCS 4ecdb6068328aa5af866af98c80c0b6e [0,2,0,0,0,0|0,0,2]=4 2780 B13R0.147 COC(=O)CCCCOCCCSC 568379774f8735ff054d2e6a26cde05e [0,2,0,0,0,0|0,0,2]=4 2781 B13R0.147 COC(=O)CCCNCCCCCCl 92b8d42bde55596360295292791b0a4d [0,2,0,0,0,0|0,0,2]=4 2782 B13R0.147 COC(=O)CCCNCCCCCF 2d5b3184337ad247a84aee3c902672be [0,2,0,0,0,0|0,0,2]=4 2783 B13R0.147 COC(=O)CCCNCCCCCO 250a1cda49a64bd3576c13f04d140e31 [0,2,0,0,0,0|0,0,2]=4 2784 B13R0.147 COC(=O)CCCNCCCCSC 063db6ac72a5450fa4470c27b3f3db87 [0,2,0,0,0,0|0,0,2]=4 2785 B13R0.147 COC(=O)CCCOCCCCSC 8d53c4e579ab51d40a3241cd62f85732 [0,2,0,0,0,0|0,0,2]=4 2786 B13R0.147 COC(=O)CCNCCCCCCCl 280b6b0216e78004bb536809897815e6 [0,2,0,0,0,0|0,0,2]=4 2787 B13R0.147 COC(=O)CCNCCCCCCF 1e479df305ecd71d1b4354ac4c774e2c [0,2,0,0,0,0|0,0,2]=4 2788 B13R0.147 COC(=O)CCNCCCCCCO 878f7a49b19a5764826e990aa73b971b [0,2,0,0,0,0|0,0,2]=4 2789 B13R0.147 COC(=O)CCOCCCCCCF b81e59a8c5bb1df36a633e82402d2859 [0,2,0,0,0,0|0,0,2]=4 2790 B13R0.147 COC(=O)CCOCCCCCCS 3e63a97fea5fda8477468610df11c71a [0,2,0,0,0,0|0,0,2]=4 2791 B13R0.147 COC(=O)CNCCCCCCC#N cf6d0b40970040c9e5ccfc22a3053e1a [0,2,0,0,0,0|1,0,1]=4 2792 B13R0.147 COC(=O)CNCCCCCCC=O 9bfa2e585df5f27598d213af25067690 [0,2,0,0,0,0|1,0,1]=4 2793 B13R0.147 COC(=O)CNCCCCCCCO a5725d89c9913041ef4969e7d64532c8 [0,2,0,0,0,0|0,0,2]=4 2794 B13R0.147 COC(=O)CNCCCCSCCO 9a72b216b94d863bb9946bc61ba1e10e [0,2,0,0,0,0|1,0,1]=4 2795 B13R0.147 COC(=O)CNCCCOCCCO af0a3f907bd1ba8ca3559ba509de2526 [0,2,0,0,0,0|1,0,1]=4 2796 B13R0.147 COC(=O)CNCCCOCCSC b9960eb6e6f43e40bc3d7d2c88aa6e30 [0,2,0,0,0,0|1,0,1]=4 2797 B13R0.147 COC(=O)COCCCCCCC#N be1d4edff018911ff86eb9dfabc594b3 [0,2,0,0,0,0|1,0,1]=4 2798 B13R0.147 COC(=O)COCCCCCCC=O fbbb7ea68f1342c000efa48dfcf7cc7f [0,2,0,0,0,0|1,0,1]=4 2799 B13R0.147 COC(=O)COCCCNCCCCl 7aee53a4a8fe426ef0641a577de35024 [0,2,0,0,0,0|1,0,1]=4 2800 B13R0.147 COC(=O)COCCCNCCCO c91dae3c972ca43a2fb759cf6d46432d [0,2,0,0,0,0|1,0,1]=4 2801 B13R0.147 COC(=O)COCCCNCCSC 62be8a35641bcd3547913bd0f7472c75 [0,2,0,0,0,0|1,0,1]=4 2802 B13R0.147 COC(=O)COCCCOCCCF 12ee2bca135004434665646c437216ae [0,2,0,0,0,0|1,0,1]=4 2803 B13R0.147 COC(=O)COCCCOCCCS e3974673549a9f04bd1c178913c272cf [0,2,0,0,0,0|1,0,1]=4 2804 B13R0.147 COC(=O)COCCCOCCSC 3f0304b8ad27212fc144a74fcaaf7986 [0,2,0,0,0,0|1,0,1]=4 2805 B13R0.147 COC(=O)COCCNCCCCCl ed91558ef782e90e41601bbbd36df991 [0,2,0,0,0,0|1,0,1]=4 2806 B13R0.147 COC(=O)COCCNCCCCO 3737d29ae9b941f1f3905ec0237c6604 [0,2,0,0,0,0|1,0,1]=4 2807 B13R0.147 COC(=O)COCCNCCCCS 7d911fcfbd0646bd5f5c20789ac6d581 [0,2,0,0,0,0|1,0,1]=4 2808 B13R0.147 COC(=O)COCCNCCCSC 2e4eb362aefb0c0231c6873678f18ca2 [0,2,0,0,0,0|1,0,1]=4 2809 B13R0.147 COC(=O)COCCOCCCCF 88445d97166edc79da021332dcd06ae2 [0,2,0,0,0,0|1,0,1]=4 2810 B13R0.147 COC(=O)COCCOCCCCS 18b860c5ca3ef497de89a3242b9c05d0 [0,2,0,0,0,0|1,0,1]=4 2811 B13R0.147 COC(=O)COCCOCCCSC 85137d55238878ae74df06aef604f986 [0,2,0,0,0,0|1,0,1]=4 2812 B13R0.147 COC(=O)CSCCCNCCCCl 9a0e0b4a2089415455c5facda036d3a2 [0,2,0,0,0,0|1,0,1]=4 2813 B13R0.147 COC(=O)CSCCCNCCCO 6f1512f7a3d1e30c3c660bc1c02fdfe9 [0,2,0,0,0,0|1,0,1]=4 2814 B13R0.147 COC(=O)CSCCCNCCSC 9eed9c43bc33b7a27707a86e9a329227 [0,2,0,0,0,0|1,0,1]=4 2815 B13R0.147 COC(=O)CSCCCOCCCF f70ed597a2507f202c1ada5c455d23de [0,2,0,0,0,0|1,0,1]=4 2816 B13R0.147 COC(=O)CSCCCOCCSC fd047d9312c3d867cedef6e389cb50f5 [0,2,0,0,0,0|1,0,1]=4 2817 B13R0.147 COC(=O)OCCOCCCCCF 13e0481e8f5a414ea41f361d0eadd572 [0,2,0,0,0,0|1,0,1]=4 2818 B13R0.147 COC(=O)OCNCCCCCCCl 89c74ff3f18905dafda629dc88e1055d [0,2,0,0,0,0|1,0,1]=4 2819 B13R0.147 COC(=O)OCNCCCCCCO a7ecaa9ed13d761e557d4395b1c59162 [0,2,0,0,0,0|1,0,1]=4 2820 B13R0.147 COC(=O)OCOCCCCCCF 65a8775a0109c5597b7dad71b9a6391c [0,2,0,0,0,0|1,0,1]=4 2821 B13R0.147 COC(=O)OCOCCCCCCS d381fdbe27413007582eb3406b84003e [0,2,0,0,0,0|1,0,1]=4 2822 B13R0.147 COCC#CCOCC#CC(=O)OC 02462ef1cad04f613cdd39531ed95f62 [0,2,0,0,0,0|0,0,2]=4 2823 B13R0.147 COCCCCCCNCC(=O)OC 34e4487486ecc30918ee88041384d091 [0,2,0,0,0,0|0,0,2]=4 2824 B13R0.147 COCCCCCCOCC(=O)OC b2838f12f25082f21060caf4064646cc [0,2,0,0,0,0|0,0,2]=4 2825 B13R0.147 COCCCCCNCCC(=O)OC 8a32fc7790de00ac7616d4061abd3ed6 [0,2,0,0,0,0|0,0,2]=4 2826 B13R0.147 COCCCCCNCOC(=O)OC f9ebaafb0f0fc79edcd88367d4fb5349 [0,2,0,0,0,0|1,0,1]=4 2827 B13R0.147 COCCCCCOCCC(=O)OC 3b4e45d866e3d3f9e61ed6fe54dbd3a2 [0,2,0,0,0,0|0,0,2]=4 2828 B13R0.147 COCCCCNC/C=C/C(=O)OC 643fd4dff5740842b03ca691c653830a [0,2,0,0,0,0|0,0,2]=4 2829 B13R0.147 COCCCCNC/C=C\C(=O)OC 9cccfab55288349ea96a102b1e1119be [0,2,0,0,0,0|0,0,2]=4 2830 B13R0.147 COCCCCNCC#CC(=O)OC beb98b8e28299aed806748a9bd57f266 [0,2,0,0,0,0|0,0,0]=2 2831 B13R0.147 COCCCCNCC=CC(=O)OC 935bf3b917c96a8ea498f92444f8c3f3 [0,2,0,0,0,0|0,0,2]=4 2832 B13R0.147 COCCCCNCCCC(=O)OC ca3daeaa93448d38fd958af1c10489f6 [0,2,0,0,0,0|0,0,2]=4 2833 B13R0.147 COCCCCOC/C=C/C(=O)OC a250e92b584d68a5cab0bd94419c374f [0,2,0,0,0,0|0,0,2]=4 2834 B13R0.147 COCCCCOC/C=C\C(=O)OC b9ab5a4115de3c4ab0bf556f4f0d5cfc [0,2,0,0,0,0|0,0,2]=4 2835 B13R0.147 COCCCCOCC#CC(=O)OC c0016ea068cc7747a963b03a2039d63a [0,2,0,0,0,0|0,0,0]=2 2836 B13R0.147 COCCCCOCC=CC(=O)OC 3ecaf30a3447834781d7be96dec01d0e [0,2,0,0,0,0|0,0,2]=4 2837 B13R0.147 COCCCCOCCCC(=O)OC 472f460c33f2a9399143721ad4c3566b [0,2,0,0,0,0|0,0,2]=4 2838 B13R0.147 COCCCCOCCOC(=O)OC 0ca635165f32dba6f774ba3395d77599 [0,2,0,0,0,0|1,0,1]=4 2839 B13R0.147 COCCCNCCCCC(=O)OC 8e5d48acf4635d34fb343ddd451735f3 [0,2,0,0,0,0|0,0,2]=4 2840 B13R0.147 COCCCNCCOCC(=O)OC c832367ee3559fe056a8383a80fe3029 [0,2,0,0,0,0|1,0,1]=4 2841 B13R0.147 COCCCOCCCCC(=O)OC 06072ba6e249e9354b3c2eb4b661ad27 [0,2,0,0,0,0|0,0,2]=4 2842 B13R0.147 COCCCOCCOCC(=O)OC 22de46e85c9fc4df92896229adc29101 [0,2,0,0,0,0|1,0,1]=4 2843 B13R0.147 COCCNCCCCCC(=O)OC 5bd0f9d2840cb6d3af7a16845b100640 [0,2,0,0,0,0|0,0,2]=4 2844 B13R0.147 COCCNCCCOCC(=O)OC 49316728f903ae763a25a892adea8847 [0,2,0,0,0,0|1,0,1]=4 2845 B13R0.147 COCCNCCCSCC(=O)OC 61a157583b04d136c708c509c4bf711f [0,2,0,0,0,0|1,0,1]=4 2846 B13R0.147 COCCOCCCCCC(=O)OC 0c515bd5689aa9ed5cff4a9039ede81f [0,2,0,0,0,0|0,0,2]=4 2847 B13R0.147 COCCOCCCNCC(=O)OC 20158cff804df40977e962ab8e27f096 [0,2,0,0,0,0|1,0,1]=4 2848 B13R0.147 COCCOCCCOCC(=O)OC 9fc9373e374336db6548bf302f09fc5d [0,2,0,0,0,0|1,0,1]=4 2849 B13R0.147 COCCOCCCSCC(=O)OC 04fee114452e80f4fc81a63f5c65d45c [0,2,0,0,0,0|1,0,1]=4 2850 B13R0.147 COCCOCOCC#CC(=O)OC 4dd7a4144dff466a8cf8689f19898988 [0,2,0,0,0,0|1,0,0]=3 2851 B13R0.147 COCNCCCCCCC(=O)OC 4cf74e039fcb8b492b9da5f27a851827 [0,2,0,0,0,0|0,0,2]=4 2852 B13R0.147 COCOCCCCCCC(=O)OC 2df60893279da50dc1b65e1a65700094 [0,2,0,0,0,0|0,0,2]=4 2853 B13R0.147 COCOCCOCC#CC(=O)OC 0455e6dca8f8a1d774cbc593e3eed08c [0,2,0,0,0,0|1,0,0]=3 2854 B13R0.202 C=C(C)CCCOCC#CC(=O)OC da5c31738eb5fba49e26e1c937e72f79 [0,2,0,0,0,0|0,0,1]=3 2855 B13R0.202 COC(=O)/C=C/CNCCCC(C)C 6d51c164e86d1256252100ba745c33b1 [0,2,0,0,0,0|0,0,2]=4 2856 B13R0.202 COC(=O)/C=C/COCCCC(C)C dd93bf2f90170e03e56988a8542d311e [0,2,0,0,0,0|0,0,2]=4 2857 B13R0.202 COC(=O)/C=C\CNCCCC(C)C 9c66ddd559eab4b80753e6ff57dbf23b [0,2,0,0,0,0|0,0,2]=4 2858 B13R0.202 COC(=O)/C=C\COCCCC(C)C 5dd16fd9b9864443125c1ac4787533c7 [0,2,0,0,0,0|0,0,2]=4 2859 B13R0.202 COC(=O)C#CCNCCCC(C)C 101e5d148599943500939dcf2e02e2c2 [0,2,0,0,0,0|0,0,0]=2 2860 B13R0.202 COC(=O)C#CCNCCCN(C)C ce48c062eba2cdad48177c1ccf2308df [0,2,0,0,0,0|1,0,0]=3 2861 B13R0.202 COC(=O)C#CCNCCCS(=O)C a95da83806335cd72aac2893b85e6318 [0,2,0,0,0,0|1,0,0]=3 2862 B13R0.202 COC(=O)C#CCNCCNC(=O)C 6097e03dc3ec26a4411831ac47ff0838 [0,2,0,0,0,0|1,0,1]=4 2863 B13R0.202 COC(=O)C#CCNCCOC(C)C e42166657c5277c7bb7c7a622d6e075e [0,2,0,0,0,0|1,0,0]=3 2864 B13R0.202 COC(=O)C#CCNCCOC(F)F d0f0b48bcb54f7509f7b495e66b67b59 [0,2,0,0,0,0|2,0,0]=4 2865 B13R0.202 COC(=O)C#CCOC/C=C/C(C)C a2a7621ab69488b41b49ed8568c8f78f [0,2,0,0,0,0|0,0,2]=4 2866 B13R0.202 COC(=O)C#CCOCCC=C(C)C 33f4213a232071ab18ecaf38b3364af5 [0,2,0,0,0,0|0,0,2]=4 2867 B13R0.202 COC(=O)C#CCOCCCC(=O)C 59f7fc6eb8d91d1fa3f5264b59020494 [0,2,0,0,0,0|0,0,1]=3 2868 B13R0.202 COC(=O)C#CCOCCCC(=O)N c56cb0bdd36ed2d53a385d6de9f63e95 [0,2,0,0,0,0|1,0,1]=4 2869 B13R0.202 COC(=O)C#CCOCCCC(C)C c799e6d96d5da7058a8f82a7321688cc [0,2,0,0,0,0|0,0,0]=2 2870 B13R0.202 COC(=O)C#CCOCCCN(C)C 5ace68eb9ce1f5628e99ef134bde7bf7 [0,2,0,0,0,0|1,0,0]=3 2871 B13R0.202 COC(=O)C#CCOCCC[N+](=O)[O-] 43278f37aa59ac80d71cd8a9bc824567 [0,2,0,0,0,0|2,0,0]=4 2872 B13R0.202 COC(=O)C#CCOCCNC(=O)C 9b17e5ff9601a45cd2ea3837d92bc761 [0,2,0,0,0,0|1,0,1]=4 2873 B13R0.202 COC(=O)C#CCOCCOC(=O)C d3db398983c62072fd09b1327ed73108 [0,2,0,0,0,0|1,0,1]=4 2874 B13R0.202 COC(=O)C#CCOCCOC(C)C 7b0d335231a64b1be8769d19a4babc92 [0,2,0,0,0,0|1,0,0]=3 2875 B13R0.202 COC(=O)C#CCOCCOC(F)F 842f9620f7b53ad6c982ae53964f0bd8 [0,2,0,0,0,0|2,0,0]=4 2876 B13R0.202 COC(=O)C#CCOCCSC(=O)C 9ccf430636bf98b138996d2f87b21f73 [0,2,0,0,0,0|1,0,1]=4 2877 B13R0.202 COC(=O)C#CCOCCSC(C)C f66cd894ca5bc24cc6cf7c687a13fda5 [0,2,0,0,0,0|1,0,0]=3 2878 B13R0.202 COC(=O)C=CCNCCCC(C)C 78bc184f0d1321d13e3e515678582b11 [0,2,0,0,0,0|0,0,2]=4 2879 B13R0.202 COC(=O)C=CCOCCCC(C)C 29505c27e9ffadc79e06a06cb0c1f4c4 [0,2,0,0,0,0|0,0,2]=4 2880 B13R0.202 COC(=O)CCCCCCNC(C)C 4d2ca2479cb70fe6092abfa64325b3da [0,2,0,0,0,0|0,0,2]=4 2881 B13R0.202 COC(=O)CCCCCCOC(C)C 50476f4df7f786cdce203e12a5766bc0 [0,2,0,0,0,0|0,0,2]=4 2882 B13R0.202 COC(=O)CCCCCNCC(C)C faa43aa37302709e874122dab872a96d [0,2,0,0,0,0|0,0,2]=4 2883 B13R0.202 COC(=O)CCCCCNCC(C)O 044ce6e17a4ce5ac4cfe65b1fb9f2436 [0,2,0,0,0,0|0,0,2]=4 2884 B13R0.202 COC(=O)CCCCCNC[C@@H](C)O f930ca8614e6bd54dff6e74cf2d37d4e [0,2,0,0,0,0|0,0,2]=4 2885 B13R0.202 COC(=O)CCCCCNC[C@H](C)O 1024404445b933d891a09b8cb6dba741 [0,2,0,0,0,0|0,0,2]=4 2886 B13R0.202 COC(=O)CCCCCOCC(C)C 8fa9650897e815305842043c3d95f7da [0,2,0,0,0,0|0,0,2]=4 2887 B13R0.202 COC(=O)CCCCCOCC(C)F 164a9c34d1cbe103dca862bc798f765f [0,2,0,0,0,0|0,0,2]=4 2888 B13R0.202 COC(=O)CCCCCOCC(C)S 37170b88a91f531c41320b046c170ffd [0,2,0,0,0,0|0,0,2]=4 2889 B13R0.202 COC(=O)CCCCCOC[C@@H](C)F 99068248c91a5e77c98234aa2c4fac77 [0,2,0,0,0,0|0,0,2]=4 2890 B13R0.202 COC(=O)CCCCCOC[C@H](C)F 1ef98289b271a06ca1ed8a3b6cc917f2 [0,2,0,0,0,0|0,0,2]=4 2891 B13R0.202 COC(=O)CCCCNCCC(C)C a94e41ef9c84d68e8701fe55c6a9470f [0,2,0,0,0,0|0,0,2]=4 2892 B13R0.202 COC(=O)CCCCNCCC(C)O 3b0970821808f5ed8d3b303c537ff3b9 [0,2,0,0,0,0|0,0,2]=4 2893 B13R0.202 COC(=O)CCCCNCC[C@@H](C)O 6bc8af2beaf59b3378aff3ca3ae1abdf [0,2,0,0,0,0|0,0,2]=4 2894 B13R0.202 COC(=O)CCCCNCC[C@H](C)O b642393821d9c9c490af818b5404b312 [0,2,0,0,0,0|0,0,2]=4 2895 B13R0.202 COC(=O)CCCCOCCC(C)C 928b6325eefb3f94d3224f15575e8c28 [0,2,0,0,0,0|0,0,2]=4 2896 B13R0.202 COC(=O)CCCNCCCC(C)C 6ee72d14c5a990fcb3a5d385bb0ad8ae [0,2,0,0,0,0|0,0,2]=4 2897 B13R0.202 COC(=O)CCCNCCCC(C)O bcf11727ef3f28e63ac8f3d62d987e56 [0,2,0,0,0,0|0,0,2]=4 2898 B13R0.202 COC(=O)CCCOCCCC(C)C 8c472026c949280040a990d25f3e15f3 [0,2,0,0,0,0|0,0,2]=4 2899 B13R0.202 COC(=O)CCNCCCCC(C)C 9b504bf85687d56adaa09dcf2587c40d [0,2,0,0,0,0|0,0,2]=4 2900 B13R0.202 COC(=O)CCNCCCCC(C)O b6275be8e4bc39fbba2119e165cac213 [0,2,0,0,0,0|0,0,2]=4 2901 B13R0.202 COC(=O)CCNCCCC[C@@H](C)O 726ecf9fce18bd8583f55f9bc9eb9eca [0,2,0,0,0,0|0,0,2]=4 2902 B13R0.202 COC(=O)CCOCCCCC(C)C 21e2aee5a99a518d2a9c526acb6fb4e5 [0,2,0,0,0,0|0,0,2]=4 2903 B13R0.202 COC(=O)CNCCCCCC(=O)C 11d41d1148adb1302b4d00c643183044 [0,2,0,0,0,0|1,0,1]=4 2904 B13R0.202 COC(=O)CNCCCCCC(C)C 49f053a36134f8bf298e616455c385ee [0,2,0,0,0,0|0,0,2]=4 2905 B13R0.202 COC(=O)CNCCCCCC(F)F 7ad9a8db4517fd122fd2de9e652ee2f8 [0,2,0,0,0,0|1,0,1]=4 2906 B13R0.202 COC(=O)CNCCCCCN(C)C 5c1ad95ead8a30d7d942a60452ba2ba2 [0,2,0,0,0,0|1,0,1]=4 2907 B13R0.202 COC(=O)CNCCCOCC(C)C ccb52fa1664bf75bcb2a10d8d38315f9 [0,2,0,0,0,0|1,0,1]=4 2908 B13R0.202 COC(=O)COCCCCCC(=O)C 7352ae172b5ec6c823dc4355df0aac2b [0,2,0,0,0,0|1,0,1]=4 2909 B13R0.202 COC(=O)COCCCCCC(C)C c4c5e89dc6d09efe1d5e314387267d9f [0,2,0,0,0,0|0,0,2]=4 2910 B13R0.202 COC(=O)COCCCCCC(F)F f1db4266e69a2066ab0e9ee5c9387685 [0,2,0,0,0,0|1,0,1]=4 2911 B13R0.202 COC(=O)COCCCCCN(C)C 8d7dbee2a51b7a0b7106bc532d73d1fd [0,2,0,0,0,0|1,0,1]=4 2912 B13R0.202 COC(=O)COCCCNCC(C)C 72d4c864e8f5eba361519422c844489b [0,2,0,0,0,0|1,0,1]=4 2913 B13R0.202 COC(=O)COCCCNCC(C)O 5757ad2c570c54a500c88d7aae8203f3 [0,2,0,0,0,0|1,0,1]=4 2914 B13R0.202 COC(=O)COCCCNC[C@@H](C)O 46d3541329e424ade287bca2ac8056bc [0,2,0,0,0,0|1,0,1]=4 2915 B13R0.202 COC(=O)COCCCNC[C@H](C)O 3193e52be099d1158701fed82f758bd2 [0,2,0,0,0,0|1,0,1]=4 2916 B13R0.202 COC(=O)COCCCOCC(C)C 28ba199867e1b9d1c8cae9a1a78a1c3a [0,2,0,0,0,0|1,0,1]=4 2917 B13R0.202 COC(=O)COCCCOCC(C)F 9ca22cffdcdcf49a8b995e7529347dbe [0,2,0,0,0,0|1,0,1]=4 2918 B13R0.202 COC(=O)COCCCOCC(C)S 7b458f4b5ea032182d74a502bc601a7f [0,2,0,0,0,0|1,0,1]=4 2919 B13R0.202 COC(=O)COCCCOC[C@@H](C)F 1bde5507aab6ff46e7235959c5427278 [0,2,0,0,0,0|1,0,1]=4 2920 B13R0.202 COC(=O)COCCCOC[C@H](C)F 2ba1868e388cf2828556386430291a5e [0,2,0,0,0,0|1,0,1]=4 2921 B13R0.202 COC(=O)COCCCSCC(C)C 83ac2ed091b53c9dc2e6eaf2bccf4bad [0,2,0,0,0,0|1,0,1]=4 2922 B13R0.202 COC(=O)COCCNCCC(C)C 230ba23f048c3d4258a65ab563b622dc [0,2,0,0,0,0|1,0,1]=4 2923 B13R0.202 COC(=O)COCCNCCC(C)O 662c635a066327153102981c744d9fc4 [0,2,0,0,0,0|1,0,1]=4 2924 B13R0.202 COC(=O)COCCNCC[C@@H](C)O 283c33d5c7f9a01ec555ef3f6cd027fe [0,2,0,0,0,0|1,0,1]=4 2925 B13R0.202 COC(=O)COCCNCC[C@H](C)O 84edeba600e3f3efe5788dfa68e3930c [0,2,0,0,0,0|1,0,1]=4 2926 B13R0.202 COC(=O)COCCOCCC(C)C 702fe894302946532de4e6854b82124b [0,2,0,0,0,0|1,0,1]=4 2927 B13R0.202 COC(=O)CSCCCNCC(C)C e4121fd7966b978387680bf5d80dec05 [0,2,0,0,0,0|1,0,1]=4 2928 B13R0.202 COC(=O)CSCCCNCC(C)O 4b17578764dace6972179b2bb4dfab47 [0,2,0,0,0,0|1,0,1]=4 2929 B13R0.202 COC(=O)CSCCCNC[C@@H](C)O dbfef3a8c99b9d2c19704d9bfe3635a0 [0,2,0,0,0,0|1,0,1]=4 2930 B13R0.202 COC(=O)CSCCCNC[C@H](C)O 17f3a960912d8b238beb94af14a2f51c [0,2,0,0,0,0|1,0,1]=4 2931 B13R0.202 COC(=O)CSCCCOCC(C)C d8e8d588c711481fadaf057ec3359f72 [0,2,0,0,0,0|1,0,1]=4 2932 B13R0.202 COC(=O)CSCCCOCC(C)F 91584a950215b50090483ee9384247e0 [0,2,0,0,0,0|1,0,1]=4 2933 B13R0.202 COC(=O)CSCCCOCC(C)S 7743767acf244865f7b3f911ec15f213 [0,2,0,0,0,0|1,0,1]=4 2934 B13R0.202 COC(=O)CSCCCOC[C@@H](C)F 1988bda40af68c2b6119e3ac12c4eec4 [0,2,0,0,0,0|1,0,1]=4 2935 B13R0.202 COC(=O)CSCCCOC[C@H](C)F f8f99c2dd7ff260e381adeb1e888a79d [0,2,0,0,0,0|1,0,1]=4 2936 B13R0.202 COC(=O)OCCOCCCC(C)C 3960d3c33d4bc2aea6aab1d92892857e [0,2,0,0,0,0|1,0,1]=4 2937 B13R0.202 COC(=O)OCOCCCCC(C)C 9102e972d06cce91f8112864e01e8679 [0,2,0,0,0,0|1,0,1]=4 2938 B13R0.226 CCCC(C)(S)CCOCC(=O)OC b777460a74a3b1ad65bc42810cd05259 [0,2,0,0,0,0|1,0,1]=4 2939 B13R0.226 COC(=O)C#CCNC(C)(C)CCO 580a9c038343e04fe9b784e65e3c1d05 [0,2,0,0,0,0|2,0,0]=4 2940 B13R0.226 COC(=O)C#CCNC(C)(C)CSC da52371764c26340fb27eca43c9a82ba [0,2,0,0,0,0|2,0,0]=4 2941 B13R0.308 C#CC(CCC)OCC#CC(=O)OC 999897b7dfa37bc9e31d92afa3653c58 [0,2,0,0,0,0|1,0,0]=3 2942 B13R0.308 C=CC(CCC)OCC#CC(=O)OC 5bdefbde7ac66efe5fea0d1b0211a7c3 [0,2,0,0,0,0|1,0,0]=3 2943 B13R0.308 CCC(COC)OCC#CC(=O)OC cab52642aff5976d17fdb8ce2cdf0c7d [0,2,0,0,0,0|2,0,0]=4 2944 B13R0.308 CCC(CSC)OCC#CC(=O)OC 9108cb03719d743e0eada1f5455af40d [0,2,0,0,0,0|2,0,0]=4 2945 B13R0.308 CCCC(C#N)OCC#CC(=O)OC c13ea34c0452c9fdd1fd6d063c51556a [0,2,0,0,0,0|1,0,0]=3 2946 B13R0.308 CCCC(CC)OCC#CC(=O)OC 951a7ffc2c104c1c8b004ce3d5150839 [0,2,0,0,0,0|1,0,0]=3 2947 B13R0.308 CCCC(CCOCC(=O)OC)SC d5ca12aa55cf356770cf32a6d56385db [0,2,0,0,0,0|1,0,1]=4 2948 B13R0.308 CCCC(CO)NCC#CC(=O)OC c6fc8ff26b26e1a12bbae13b0a717d44 [0,2,0,0,0,0|1,0,0]=3 2949 B13R0.308 CCC[C@@H](CC)OCC#CC(=O)OC b233d8323547fcb1b315bce8f7e357c5 [0,2,0,0,0,0|1,0,0]=3 2950 B13R0.308 CCC[C@@H](CO)NCC#CC(=O)OC 80eebc13d13ac24b63065c8976cd4796 [0,2,0,0,0,0|1,0,0]=3 2951 B13R0.308 CCC[C@H](CO)NCC#CC(=O)OC d76ecf6b1ec01932558c361670896dee [0,2,0,0,0,0|1,0,0]=3 2952 B13R0.308 COC(=O)C#CCNC(CO)CCO 7385e27fbf4cff9eb934576f56088c2b [0,2,0,0,0,0|2,0,0]=4 2953 B13R0.308 COC(=O)C#CCN[C@@H](CO)CCO baa32e7f34add51977170ba7e31d4f57 [0,2,0,0,0,0|2,0,0]=4 2954 B13R0.308 COC(=O)C#CCOC(CBr)CCBr 12f594cf3c5c9b4eafacfc317642b7fa [0,2,0,0,0,0|2,0,0]=4 2955 B13R0.308 COC(=O)C#CCOC(CCl)CCCl e4ec075b7b3af67235ae7c57f6912f35 [0,2,0,0,0,0|2,0,0]=4 2956 B13R0.308 COC(=O)C#CCO[C@@H](CO)CCO b39a9b53ce28d1f213c9c1e341091ff4 [0,2,0,0,0,0|2,0,0]=4 2957 B11R1.53 CCC1CCCCN1C(=O)C 8d91af042ec3ee454d245c12958ebfeb [1,0,0,1,0,0|1,0,1]=4 2958 B11R1.53 CC[C@@H]1CCCCN1C(=O)C 6739e20465d74f218273c8bb16bd22bb [1,0,0,1,0,0|1,0,1]=4 2959 B11R1.53 CC[C@H]1CCCCN1C(=O)C 3f882d1db31c87fd415fbe582bfecb93 [1,0,0,1,0,0|1,0,1]=4 2960 B11R1.57 CCC1CCCN1CC(=O)O c31ac8bd4b3eeed7b5beb09db1545ade [1,0,0,1,0,0|1,0,1]=4 2961 B11R1.57 CC[C@@H]1CCCN1CC(=O)O fcbfc0397f95ebb582b031ed6c75b8f9 [1,0,0,1,0,0|1,0,1]=4 2962 B11R1.57 CC[C@@H]1CCC[C@H]1NC(=O)C 3e0e1d15d776c3dcd038aea6de3e4dfb [1,0,0,1,0,0|1,0,1]=4 2963 B11R1.86 CC(=O)NC1CCCCC1C 670701ef37830c881dfd98f284b6eaef [1,0,0,1,0,0|1,0,1]=4 2964 B11R1.86 CC(=O)N[C@@H]1CCCC[C@@H]1C 2bac565059009b92e61af1d1f0ba1ffd [1,0,0,1,0,0|1,0,1]=4 2965 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1C 479fb6aae9438e2010ab8b66de7f20cf [1,0,0,1,0,0|1,0,1]=4 2966 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1C 18a83c7bce0c6708eeacbe02f36aa7ad [1,0,0,1,0,0|1,0,1]=4 2967 B11R1.86 CC(=O)N[C@H]1CCCC[C@H]1C c4b6727756a1c9df9d0de80b9b0690de [1,0,0,1,0,0|1,0,1]=4 2968 B11R1.86 CC1CCCCN1CC(=O)O ae84160ac6931f8f66d20194a2549691 [1,0,0,1,0,0|1,0,1]=4 2969 B11R1.86 C[C@@H]1CCCCN1CC(=O)O e977167422de3a18af9f7c21c4b88fdb [1,0,0,1,0,0|1,0,1]=4 2970 B11R1.86 C[C@H]1CCCCN1CC(=O)O b00078cb16b191d42880e0e45b0eac26 [1,0,0,1,0,0|1,0,1]=4 2971 B11R1.90 CC1CCCC1OCC(=O)O 8b302fdcccb2e5b0cbc05eb78f61b043 [1,0,0,1,0,0|1,0,1]=4 2972 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)O 735a45401cd3b3bbab8ed3fa02f5be83 [1,0,0,1,0,0|1,0,1]=4 2973 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)O 1c7967d6457face00634b93870635bd7 [1,0,0,1,0,0|1,0,1]=4 2974 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)O 1011d83d813a08e7d91c46348c016f66 [1,0,0,1,0,0|1,0,1]=4 2975 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)O 41f392f14989d15a78b37a9a4a93f045 [1,0,0,1,0,0|1,0,1]=4 2976 B11R1.91 CC(=O)CNC1CCCCC1 41f3bbc8aa0b0ee4d56e1bb353997307 [1,0,0,1,0,0|1,0,1]=4 2977 B11R1.91 CC(=O)COC1CCCCC1 763ec2b1245af52120f0b3066af09e15 [1,0,0,1,0,0|1,0,1]=4 2978 B11R1.91 CC(=O)NCC1CCCCC1 13ef8179cc48c409da15977c5ecf76d3 [1,0,0,1,0,0|1,0,1]=4 2979 B11R1.91 O=C(O)CNC1CCCCC1 6170fa39da854f2ae539e4442d25e354 [1,0,0,1,0,0|1,0,1]=4 2980 B11R1.91 O=C(O)COC1CCCCC1 c56b55e54d9cc9b734edcd0ed0978f43 [1,0,0,1,0,0|1,0,1]=4 2981 B11R1.143 CC(=O)N1CCCCCC1C 0b0f11c018b77ceb673643adf08c2408 [1,0,0,1,0,0|1,0,1]=4 2982 B11R1.172 CC(=O)CNCC1CCCC1 800b82f192e6095478611556b2672a2c [1,0,0,1,0,0|1,0,1]=4 2983 B11R1.172 CC(=O)COCC1CCCC1 87780bcc9709eef0316afed28b298097 [1,0,0,1,0,0|1,0,1]=4 2984 B11R1.172 CC(=O)NCCC1CCCC1 fbc141d594a57736dbd8cf80bf081fad [1,0,0,1,0,0|1,0,1]=4 2985 B11R1.172 O=C(O)CNCC1CCCC1 a418b6153ed46a2a6f91546a4f64b56b [1,0,0,1,0,0|1,0,1]=4 2986 B11R1.172 O=C(O)COCC1CCCC1 1a12f19c6aab26de4be4dc52bf7172ec [1,0,0,1,0,0|1,0,1]=4 2987 B11R1.174 CC(=O)CNCCC1CCC1 a6c0b7b56e06a8c8bc7cd1a55bab585e [1,0,0,1,0,0|1,0,1]=4 2988 B11R1.174 CC(=O)COCCC1CCC1 4944e2be1bb1a139c0b12602f14dd179 [1,0,0,1,0,0|1,0,1]=4 2989 B11R1.174 NC(=O)C#CCNC1CCC1 2d2522f3db054b9dd0ed64c3f5bd7f91 [1,0,0,1,0,0|2,0,0]=4 2990 B11R1.174 O=C(O)C#CCNC1CCC1 e10e68f3b6c1db2e173b6ce50460a405 [1,0,0,1,0,0|1,0,0]=3 2991 B11R1.174 O=C(O)C#CCNC1COC1 26e6293a1af54685dd46d52fd86b6a7e [1,0,0,1,0,0|2,0,0]=4 2992 B11R1.174 O=C(O)C#CCOC1CCC1 0e95a8be4bbbeee3aa72cae340562a94 [1,0,0,1,0,0|1,0,0]=3 2993 B11R1.174 O=C(O)C#CCOC1COC1 64522dc8f1693aff6a37fed7445e058d [1,0,0,1,0,0|2,0,0]=4 2994 B11R1.174 O=C(O)CNCCC1CCC1 84612f195dec18bf1f89fbacb630f1f5 [1,0,0,1,0,0|1,0,1]=4 2995 B11R1.174 O=C(O)COCCC1CCC1 21d3e323d3716ddd98978256d1ef52c5 [1,0,0,1,0,0|1,0,1]=4 2996 B11R1.176 NC(=O)C#CCNCC1CC1 3464c2f9ef16a8dc1adff3ef5ac57cf7 [1,0,0,1,0,0|2,0,0]=4 2997 B11R1.176 O=C(O)C#CCCOC1CC1 2c6f8431d7df1b41a5e5f5cce28d4a8a [1,0,0,1,0,0|1,0,0]=3 2998 B11R1.176 O=C(O)C#CCNCC1CC1 26d83a4b6f027f1ecd819b1c5197d95e [1,0,0,1,0,0|1,0,0]=3 2999 B11R1.176 O=C(O)C#CCOCC1CC1 e74a290d3c678938e2560dbb5b1f4d71 [1,0,0,1,0,0|1,0,0]=3 3000 B11R1.176 O=C(O)COCCCC1CC1 811bc90ad70ebad21f64225f344212bf [1,0,0,1,0,0|1,0,1]=4 3001 B11R1.706 CC(=O)N1CCCCCCC1 ff71a082476683b4f8504acf30a24baa [1,0,0,1,0,0|1,0,1]=4 3002 B11R1.742 CC(=O)NC1CCCCCC1 980c21986259e09356273dbf1a23f9df [1,0,0,1,0,0|1,0,1]=4 3003 B11R1.742 O=C(O)CN1CCCCCC1 d9f9edaddb25360088e69733dfba1666 [1,0,0,1,0,0|1,0,1]=4 3004 B11R1.47 COCC#CCNC1CCC1 654ef8dc1495bed48b708ae6928141af [1,0,0,1,0,0|1,0,1]=4 3005 B11R1.47 COCC#CCOC1CCC1 6ac6ef2c495497be95aacc5bd462876f [1,0,0,1,0,0|1,0,1]=4 3006 B11R1.1 CCCOC1CCC(=O)OC1 14f68677ebd93dd79e6aff031f73ae29 [1,0,0,1,0,0|1,0,1]=4 3007 B11R1.25 CCC(=O)NCC1CCCC1 c4f7a0ef14d38131f5bfe5b834523fe9 [1,0,0,1,0,0|2,0,0]=4 3008 B11R1.25 COC(=O)CNC1CCCC1 b87ff11671c5cc80045ee4f67f2c7d8b [1,0,0,1,0,0|1,0,1]=4 3009 B11R1.25 COC(=O)COC1CCCC1 085020e1b123128ec3ee74cb59ea108d [1,0,0,1,0,0|1,0,1]=4 3010 B11R1.59 CCC(=O)N1CCCC1CC 2ce87378127394d65266906acf474f6e [1,0,0,1,0,0|2,0,0]=4 3011 B11R1.59 CCC(=O)N1CCC[C@H]1CC 6dd4884ad62ec61fc10830857b5556fa [1,0,0,1,0,0|2,0,0]=4 3012 B11R1.59 CCN1CCCC1C(=O)OC 57fe510e52d7fd74edb8165001a3cb0f [1,0,0,1,0,0|1,0,1]=4 3013 B11R1.59 CCN1CCC[C@H]1C(=O)OC dadddfa392d6d0edd0fd11c46811b3b9 [1,0,0,1,0,0|1,0,1]=4 3014 B11R1.115 CCCN1CC[C@@H]1C(=O)OC c4d0d2b7afd55bcbcd4477409e2cf1ae [1,0,0,1,0,0|1,0,1]=4 3015 B11R1.218 CCCCN1CC1C(=O)OC 44c7d158c595a9ae51b842328cff690c [1,0,0,1,0,0|1,0,1]=4 3016 B11R1.218 CCCCN1C[C@H]1C(=O)OC f02e02ebaf3226844e1a140d5706d93b [1,0,0,1,0,0|1,0,1]=4 3017 B11R1.218 CCCNC1CC1C(=O)OC 9595ea4e4784e12ebc0f81aca48c0c41 [1,0,0,1,0,0|1,0,1]=4 3018 B11R1.218 CCCOC1CC1C(=O)OC 59b5d33cee1671ee5db2fc6a97a054ed [1,0,0,1,0,0|1,0,1]=4 3019 B11R1.218 CCOCC1CC1C(=O)OC 993cad79d75e436dd18401df44904722 [1,0,0,1,0,0|1,0,1]=4 3020 B11R1.218 CCOC[C@@H]1C[C@@H]1C(=O)OC 57b83ee718142465e26e034265afb97d [1,0,0,1,0,0|1,0,1]=4 3021 B11R1.218 CCOC[C@@H]1C[C@H]1C(=O)OC ab694afdbd6926b26b6b10dc47f5a938 [1,0,0,1,0,0|1,0,1]=4 3022 B11R1.218 CCOC[C@H]1C[C@@H]1C(=O)OC 6596fd83b996594c40e13637dbf9de4e [1,0,0,1,0,0|1,0,1]=4 3023 B11R1.222 CCC(=O)N1CCCCC1C 9f8997a43a0135743998f58647508ffc [1,0,0,1,0,0|2,0,0]=4 3024 B11R1.222 CCC(=O)N1CCCC[C@@H]1C b83df98c72b4c39c4638f2400442f81a [1,0,0,1,0,0|2,0,0]=4 3025 B11R1.222 CCC(=O)N1CCCC[C@H]1C ea345c17f894328087f191f4cea87dc5 [1,0,0,1,0,0|2,0,0]=4 3026 B11R1.223 COC(=O)CN[C@@H]1CC[C@H]1C 8cc1099987a14755bb326b9cf2f92721 [1,0,0,1,0,0|1,0,1]=4 3027 B11R1.223 COC(=O)CN[C@H]1CC[C@H]1C 1fa625a5e83c05d76a7f8e7f14f61158 [1,0,0,1,0,0|1,0,1]=4 3028 B11R1.228 COC(=O)CN1CCCC1C a42739d97a82c5ae3be363bbad65c1e8 [1,0,0,1,0,0|1,0,1]=4 3029 B11R1.228 COC(=O)CN1CCC[C@@H]1C 1192220f15b69db24025cd75b8c5c11e [1,0,0,1,0,0|1,0,1]=4 3030 B11R1.228 COC(=O)CN1CCC[C@H]1C bf37025eab3cd6aff9a0e0a086a3cf6c [1,0,0,1,0,0|1,0,1]=4 3031 B11R1.235 COC(=O)CCNC1CC1C 7e2d7925952763426c1fdcb3332cd11c [1,0,0,1,0,0|1,0,1]=4 3032 B11R1.235 COC(=O)COCC1CC1C 642422785b13dfbc2a58fed7d26da21a [1,0,0,1,0,0|1,0,1]=4 3033 B11R1.235 COC(=O)COC[C@@H]1C[C@@H]1C ac81e2d9e5c9300b8a4f5b0a0b55d590 [1,0,0,1,0,0|1,0,1]=4 3034 B11R1.235 COC(=O)COC[C@@H]1C[C@H]1C 0e57680fa8952696ce0012ec8117c7ed [1,0,0,1,0,0|1,0,1]=4 3035 B11R1.235 COC(=O)COC[C@H]1C[C@@H]1C f7f3e3103956f375d92f46e823eb60c6 [1,0,0,1,0,0|1,0,1]=4 3036 B11R1.235 COC(=O)OCNC1CC1C 2ad71e09a667bf38156f653e8a8bfb31 [1,0,0,1,0,0|2,0,0]=4 3037 B11R1.236 CCC(=O)NCCC1CCC1 424ecc43df8cb195dcf80d34a2290143 [1,0,0,1,0,0|2,0,0]=4 3038 B11R1.236 COC(=O)CCCN1CCC1 74402e37f99601995584ee802ee8d703 [1,0,0,1,0,0|1,0,1]=4 3039 B11R1.236 COC(=O)CCNC1CCC1 c703a29c0eed4e72bf5cc8eeec312367 [1,0,0,1,0,0|1,0,1]=4 3040 B11R1.236 COC(=O)CCOC1CCC1 a7f60890365a15910d6ce48e4d80abc2 [1,0,0,1,0,0|1,0,1]=4 3041 B11R1.236 COC(=O)CNCC1CCC1 09171f32f7240e23e29fdd51fc4c3059 [1,0,0,1,0,0|1,0,1]=4 3042 B11R1.236 COC(=O)COCC1CCC1 4ff67b75b106ed4edba88ae986d451f1 [1,0,0,1,0,0|1,0,1]=4 3043 B11R1.236 COC(=O)OCNC1CCC1 aff8c84d820034a3388284a9ef90a527 [1,0,0,1,0,0|2,0,0]=4 3044 B11R1.236 COC(=O)OCOC1CCC1 2dc207e9753dd047a880f8af9f9fc760 [1,0,0,1,0,0|2,0,0]=4 3045 B11R1.237 COC(=O)C#CCNC1CC1 0a722f9a30c629c032af17148f76ab7c [1,0,0,1,0,0|1,0,0]=3 3046 B11R1.237 COC(=O)C#CCOC1CC1 45f5866d6df81cce3eb4c4def5d21ca8 [1,0,0,1,0,0|1,0,0]=3 3047 B11R1.237 COC(=O)CCCNC1CC1 91f122205aef264300272f7c71644f72 [1,0,0,1,0,0|1,0,1]=4 3048 B11R1.237 COC(=O)CCCOC1CC1 ce0aa01a0a22e22e273fc191e24962c2 [1,0,0,1,0,0|1,0,1]=4 3049 B11R1.237 COC(=O)CCNCC1CC1 5637813e47e4a9a39fb2139d614ec349 [1,0,0,1,0,0|1,0,1]=4 3050 B11R1.237 COC(=O)CCOCC1CC1 06fb4c15cedba387b690c0fd3c66e5c6 [1,0,0,1,0,0|1,0,1]=4 3051 B11R1.237 COC(=O)CNCCC1CC1 ad9b2757e698349a4cc88ccd892e85c6 [1,0,0,1,0,0|1,0,1]=4 3052 B11R1.237 COC(=O)COCCC1CC1 3f5d9037052dd112f065415a5e13b31e [1,0,0,1,0,0|1,0,1]=4 3053 B11R1.237 COC(=O)OCCOC1CC1 dcfcb2cf70b06d0935ce2516c06ad540 [1,0,0,1,0,0|2,0,0]=4 3054 B11R1.237 COC(=O)OCNCC1CC1 0774278246b758d31975d94dc3fac553 [1,0,0,1,0,0|2,0,0]=4 3055 B11R1.237 COC(=O)OCOCC1CC1 6f650c75d4f1bdbe126e93a1dfc77e0a [1,0,0,1,0,0|2,0,0]=4 3056 B11R1.272 CCC1CCN1CC(=O)OC 5734891ca1bd5022570b4186c00e22c2 [1,0,0,1,0,0|1,0,1]=4 3057 B11R1.852 CCC(=O)N1CCCCCC1 ad10cabe38a2ba06b9fbc202cc4d0017 [1,0,0,1,0,0|2,0,0]=4 3058 B13R1.6 CCCCCCN1CCOC(=O)C1 cd0966c31e6bdf74c976738e13f992c9 [0,1,0,1,0,0|1,0,1]=4 3059 B13R1.42 CCOC(=O)CNC1CCCCC1 16f54310e993370e2e1d3a832339ce63 [0,1,0,1,0,0|1,0,1]=4 3060 B13R1.42 CCOC(=O)COC1CCCCC1 05ac9ffc5ce4489fae0e01beb476e9fc [0,1,0,1,0,0|1,0,1]=4 3061 B13R1.42 COCC(=O)COC1CCCCC1 9f16844a443a9c1d37a607df6669585d [0,1,0,1,0,0|1,0,1]=4 3062 B13R1.42 COCC(=O)NCC1CCCCC1 ad6e42bc2ef1d6829ace656e5c21cef6 [0,1,0,1,0,0|1,0,1]=4 3063 B13R1.404 CCOC(=O)CNCC1CCCC1 a270958ce7b4843a1cbd708614b75fa3 [0,1,0,1,0,0|1,0,1]=4 3064 B13R1.404 CCOC(=O)COCC1CCCC1 fa8fee2a54372431a12f70717e92b180 [0,1,0,1,0,0|1,0,1]=4 3065 B13R1.404 COCC(=O)CNCC1CCCC1 8ec0033329e311b091b657ae71e74d73 [0,1,0,1,0,0|1,0,1]=4 3066 B13R1.404 COCC(=O)COCC1CCCC1 91e9cf4ecc330c1b034bfbae6b838514 [0,1,0,1,0,0|1,0,1]=4 3067 B13R1.404 COCC(=O)NCCC1CCCC1 4c28779956abb195d5cb8692b4ba7d11 [0,1,0,1,0,0|1,0,1]=4 3068 B13R1.443 CCC1CCCN1CC(=O)COC 0b75b22ea3e00a0db789e8c2ac89baba [0,1,0,1,0,0|1,0,1]=4 3069 B13R1.443 CCOC(=O)CN1CCCC1CC 9e8b1738f8d1071d2c5a108dc9a71de6 [0,1,0,1,0,0|1,0,1]=4 3070 B13R1.443 CCOC(=O)CN1CCC[C@H]1CC 5ac92083e2b15d98df94af32b7053bf2 [0,1,0,1,0,0|1,0,1]=4 3071 B13R1.443 CC[C@@H]1CCCN1CC(=O)COC 7d63fbb9cb00871e39d038682ede70a5 [0,1,0,1,0,0|1,0,1]=4 3072 B13R1.443 CC[C@@H]1CCC[C@H]1NC(=O)COC 058c431a3f8d473411ce41ab1121c162 [0,1,0,1,0,0|1,0,1]=4 3073 B13R1.444 CCOC(=O)COC1CCCC1C 10ac12519c183fc31267280723db4fbd [0,1,0,1,0,0|1,0,1]=4 3074 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@@H]1C d04871114d543adc7edebb5c647d898d [0,1,0,1,0,0|1,0,1]=4 3075 B13R1.444 CCOC(=O)CO[C@@H]1CCC[C@H]1C 00a0e2195820fdc39410eef05ecc9045 [0,1,0,1,0,0|1,0,1]=4 3076 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@@H]1C f3671fbdc653e45ab502c0657a46cd27 [0,1,0,1,0,0|1,0,1]=4 3077 B13R1.444 CCOC(=O)CO[C@H]1CCC[C@H]1C 08ae4a12af296edbbf3e18c14587266b [0,1,0,1,0,0|1,0,1]=4 3078 B13R1.444 COCC(=O)COC1CCCC1C d8bf2d645e96b39b64317ea12d129c76 [0,1,0,1,0,0|1,0,1]=4 3079 B13R1.444 COCC(=O)CO[C@@H]1CCC[C@@H]1C 316f70c36d513686d3ed3bf400bd6d2d [0,1,0,1,0,0|1,0,1]=4 3080 B13R1.444 COCC(=O)CO[C@@H]1CCC[C@H]1C e55523e965a85dcecdbdb43ecad1c5d8 [0,1,0,1,0,0|1,0,1]=4 3081 B13R1.444 COCC(=O)CO[C@H]1CCC[C@@H]1C 658751177fe8ed8b33400cdc573adddf [0,1,0,1,0,0|1,0,1]=4 3082 B13R1.444 COCC(=O)CO[C@H]1CCC[C@H]1C 8b2168b7ad6a94ffa7757537902695f9 [0,1,0,1,0,0|1,0,1]=4 3083 B13R1.448 CCOC(=O)C#CCOC1CCC1 8be0d23818685108ee48608ef59e14cf [0,1,0,1,0,0|1,0,0]=3 3084 B13R1.448 CCOC(=O)C#CCOC1COC1 bd05e1f49d63b049fc062e7bc1c9204b [0,1,0,1,0,0|2,0,0]=4 3085 B13R1.448 CCOC(=O)CNCCC1CCC1 ac88be3c9375bc029f275ccc0afd2247 [0,1,0,1,0,0|1,0,1]=4 3086 B13R1.448 CCOC(=O)COCCC1CCC1 caf2d355d3ad89cdae9f167cb232519a [0,1,0,1,0,0|1,0,1]=4 3087 B13R1.448 COCC(=O)CNCCC1CCC1 b57e7562756e5dbf74537a9153ad6a9a [0,1,0,1,0,0|1,0,1]=4 3088 B13R1.448 COCC(=O)COCCC1CCC1 6f36546a5d0ba30504595faf526a9b19 [0,1,0,1,0,0|1,0,1]=4 3089 B13R1.453 CCOC(=O)C#CCOCC1CC1 5c2130ddfd016143fbb458406a49eae8 [0,1,0,1,0,0|1,0,0]=3 3090 B13R1.453 CCOC(=O)COCCCC1CC1 af93b06c427590c4df1835b26893e6aa [0,1,0,1,0,0|1,0,1]=4 3091 B13R1.453 COCC(=O)COCCCC1CC1 85815fd1f342968ed14ff1f43028195f [0,1,0,1,0,0|1,0,1]=4 3092 B13R1.463 COCC(=O)N1CCCCCC1C a48a8bfacefa810c330218b82fc06d91 [0,1,0,1,0,0|1,0,1]=4 3093 B13R1.464 CCC1CCCCN1C(=O)COC e0126eb77124f30d8e8a677af2f2c811 [0,1,0,1,0,0|1,0,1]=4 3094 B13R1.464 CC[C@@H]1CCCCN1C(=O)COC 2a1d2534f48ec68d8a04288a0e85d2ed [0,1,0,1,0,0|1,0,1]=4 3095 B13R1.464 CC[C@H]1CCCCN1C(=O)COC 4110ccfd01856759b3a8c89e5bacf7b3 [0,1,0,1,0,0|1,0,1]=4 3096 B13R1.470 CCOC(=O)CN1CCCCC1C 535378c9a650a897fb5b24f9be86001d [0,1,0,1,0,0|1,0,1]=4 3097 B13R1.470 CCOC(=O)CN1CCCC[C@@H]1C 794146e07a985f98a6ecbb558c59bd06 [0,1,0,1,0,0|1,0,1]=4 3098 B13R1.470 CCOC(=O)CN1CCCC[C@H]1C f59669138b1c36292c0b545ca7447685 [0,1,0,1,0,0|1,0,1]=4 3099 B13R1.470 COCC(=O)NC1CCCCC1C 867eb86430ccbcb6b70f742f9fa9f2fc [0,1,0,1,0,0|1,0,1]=4 3100 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@@H]1C 0b212432f9fac7873f94375f61e80f50 [0,1,0,1,0,0|1,0,1]=4 3101 B13R1.470 COCC(=O)N[C@@H]1CCCC[C@H]1C f35f71b2dbfeee215603a953b9ffb07c [0,1,0,1,0,0|1,0,1]=4 3102 B13R1.470 COCC(=O)N[C@H]1CCCC[C@@H]1C 6f75fd1c35ddd502065c761d2911104d [0,1,0,1,0,0|1,0,1]=4 3103 B13R1.470 COCC(=O)N[C@H]1CCCC[C@H]1C 1e2d96580c0cf7b4f4b9de34de1c372b [0,1,0,1,0,0|1,0,1]=4 3104 B13R1.654 CCCCCCNC1CONC1=O a411303d9caa2dffff7d34a0afac119a [0,1,0,1,0,0|1,0,1]=4 3105 B13R1.654 CCCCCCN[C@@H]1CCOC1=O 9a949eebaeaa55ab73d8dd7129aa98d4 [0,1,0,1,0,0|1,0,1]=4 3106 B13R1.654 CCCCCCN[C@@H]1CONC1=O fade032940d0e0974fbb330760353de2 [0,1,0,1,0,0|1,0,1]=4 3107 B13R1.654 CCCCCCN[C@H]1CCOC1=O 601339c92ed17b576b2ee00fa96d9f99 [0,1,0,1,0,0|1,0,1]=4 3108 B13R1.654 CCCCCCN[C@H]1CONC1=O e85424abd566b42f44ffb8afd629358e [0,1,0,1,0,0|1,0,1]=4 3109 B13R1.1464 COCC(=O)N1CCCCCCC1 04c788917c5fcbee8d90b6e1678a9fb7 [0,1,0,1,0,0|1,0,1]=4 3110 B13R1.1575 CCOC(=O)CN1CCCCCC1 b66a5de06402119d233a4472db419f7c [0,1,0,1,0,0|1,0,1]=4 3111 B13R1.1575 COCC(=O)NC1CCCCCC1 71ad0e73b8a4ce53c03e5b2220822219 [0,1,0,1,0,0|1,0,1]=4 3112 B13R1.102 CCC1CCCN1C(=O)C(=O)OC 22d866580e7a8200b776726ea3e6fa0a [0,1,0,1,0,0|1,0,1]=4 3113 B13R1.102 CCC1CCCN1C(C)C(=O)OC b0d4bd4a14c1fc831ef27c1d8cd333cf [0,1,0,1,0,0|1,0,1]=4 3114 B13R1.102 CCC1CCCN1[C@@H](C)C(=O)OC 7ed06b32ee2eb232720314329d915a83 [0,1,0,1,0,0|1,0,1]=4 3115 B13R1.102 CCC1CCCN1[C@H](C)C(=O)OC 0e1d21e610cc788200bcee382dc03f59 [0,1,0,1,0,0|1,0,1]=4 3116 B13R1.102 CC[C@@H]1CCCN1C(=O)C(=O)OC 4b0c367c7b1b6cb371e9ad37a749ba20 [0,1,0,1,0,0|1,0,1]=4 3117 B13R1.102 CC[C@@H]1CCCN1C(C)C(=O)OC 8e7ea46626b6e6e759e3365cfe075fd1 [0,1,0,1,0,0|1,0,1]=4 3118 B13R1.102 CC[C@@H]1CCCN1[C@@H](C)C(=O)OC e66ff013e4adbcb33362919bcc73d39d [0,1,0,1,0,0|1,0,1]=4 3119 B13R1.102 CC[C@@H]1CCCN1[C@H](C)C(=O)OC 0a38342eabf9f967cf8bef8c6ac29a29 [0,1,0,1,0,0|1,0,1]=4 3120 B13R1.135 COC(=O)C(C)OC1CCCCC1 1e90fd508e2358c19d8969d36684f5a8 [0,1,0,1,0,0|1,0,1]=4 3121 B13R1.135 COC(=O)[C@@H](C)OC1CCCCC1 fe22f8573de46b19817d0255510c7b16 [0,1,0,1,0,0|1,0,1]=4 3122 B13R1.135 COC(=O)[C@H](C)OC1CCCCC1 e5085aa643a68b53ef00092d2d008b66 [0,1,0,1,0,0|1,0,1]=4 3123 B13R1.554 COC(=O)C(=O)NCC1CCCC1 bdd693656abb0ff8c31cd7f78c9e6085 [0,1,0,1,0,0|1,0,1]=4 3124 B13R1.554 COC(=O)C(C)NCC1CCCC1 e87100a3fb6664507d890aba74bd15d0 [0,1,0,1,0,0|1,0,1]=4 3125 B13R1.554 COC(=O)C(C)OCC1CCCC1 821146585c2c8a487ff308b445c19033 [0,1,0,1,0,0|1,0,1]=4 3126 B13R1.554 COC(=O)[C@@H](C)NCC1CCCC1 f0febadffa310ba7b48118f21590c616 [0,1,0,1,0,0|1,0,1]=4 3127 B13R1.554 COC(=O)[C@@H](C)OCC1CCCC1 3a2e737e8b0dbaaa39185ff7ea699d6f [0,1,0,1,0,0|1,0,1]=4 3128 B13R1.554 COC(=O)[C@H](C)NCC1CCCC1 de6e30a7e7d55ff157e3be644c92db1e [0,1,0,1,0,0|1,0,1]=4 3129 B13R1.554 COC(=O)[C@H](C)OCC1CCCC1 97f8b4cc6c902fc09abf2f322a586224 [0,1,0,1,0,0|1,0,1]=4 3130 B13R1.696 COC(=O)C(=O)N1CCCCC1C 23e5602bbcb862ba08a4be0287a6c419 [0,1,0,1,0,0|1,0,1]=4 3131 B13R1.696 COC(=O)C(=O)N1CCCC[C@@H]1C 824fb7223ca2695b7631b1dcd02be36e [0,1,0,1,0,0|1,0,1]=4 3132 B13R1.696 COC(=O)C(=O)N1CCCC[C@H]1C ba4325488ee35741a184c169e19a3aec [0,1,0,1,0,0|1,0,1]=4 3133 B13R1.696 COC(=O)C(C)N1CCCCC1C 349337438c827688c53b19ca8065a7c8 [0,1,0,1,0,0|1,0,1]=4 3134 B13R1.696 COC(=O)C(C)N1CCCC[C@@H]1C d1b44533159cb329fe0f662313bf1645 [0,1,0,1,0,0|1,0,1]=4 3135 B13R1.696 COC(=O)C(C)N1CCCC[C@H]1C 85dc88deb70e5662f977e7dfe862fb2f [0,1,0,1,0,0|1,0,1]=4 3136 B13R1.696 COC(=O)[C@@H](C)N1CCCCC1C 2d688e00b5e5c7f53b5664664acbc944 [0,1,0,1,0,0|1,0,1]=4 3137 B13R1.696 COC(=O)[C@@H](C)N1CCCC[C@@H]1C 71a545bc7dce5c23938718659ec3a070 [0,1,0,1,0,0|1,0,1]=4 3138 B13R1.696 COC(=O)[C@@H](C)N1CCCC[C@H]1C f5c7c314385302c7b3b2bed7c33ec159 [0,1,0,1,0,0|1,0,1]=4 3139 B13R1.696 COC(=O)[C@H](C)N1CCCCC1C 45d984dab42b66636849080ffc9c297c [0,1,0,1,0,0|1,0,1]=4 3140 B13R1.696 COC(=O)[C@H](C)N1CCCC[C@@H]1C 9c348bb5de94c4d99dd188344730ee00 [0,1,0,1,0,0|1,0,1]=4 3141 B13R1.696 COC(=O)[C@H](C)N1CCCC[C@H]1C 97ade9837f20a9a95ef4a9affc4cb47d [0,1,0,1,0,0|1,0,1]=4 3142 B13R1.702 COC(=O)C(=O)NCCC1CCC1 46f39bfb32796c864ccbe93906c9bb38 [0,1,0,1,0,0|1,0,1]=4 3143 B13R1.702 COC(=O)C(C)NCCC1CCC1 ee80f3cbca8135490621b59fc7dd18bc [0,1,0,1,0,0|1,0,1]=4 3144 B13R1.702 COC(=O)C(C)OCCC1CCC1 4586f2cd33f5505cd9ca6a02bbeb471c [0,1,0,1,0,0|1,0,1]=4 3145 B13R1.702 COC(=O)[C@@H](C)NCCC1CCC1 69ff313b812fda3c9226e6360489ef11 [0,1,0,1,0,0|1,0,1]=4 3146 B13R1.702 COC(=O)[C@@H](C)OCCC1CCC1 63d4af31a1fa5cddb30647b25ae3f0f0 [0,1,0,1,0,0|1,0,1]=4 3147 B13R1.702 COC(=O)[C@H](C)NCCC1CCC1 4f78d6cf22bca297c29fd7dd1aefabd3 [0,1,0,1,0,0|1,0,1]=4 3148 B13R1.702 COC(=O)[C@H](C)OCCC1CCC1 656e4b213c781406b48fb336f6c48ed8 [0,1,0,1,0,0|1,0,1]=4 3149 B13R1.704 COC(=O)C(C)OC1CCCC1C 0f056db9fd34f278de3b2f208a978ebf [0,1,0,1,0,0|1,0,1]=4 3150 B13R1.704 COC(=O)C(C)O[C@@H]1CCC[C@@H]1C e06f8c432ff697cf9cad9b53c4f57062 [0,1,0,1,0,0|1,0,1]=4 3151 B13R1.704 COC(=O)C(C)O[C@@H]1CCC[C@H]1C f0f1a4fda84b6ac9b4c48959d80bf413 [0,1,0,1,0,0|1,0,1]=4 3152 B13R1.704 COC(=O)C(C)O[C@H]1CCC[C@@H]1C ed1818fa51d5bcc1a0c741be2b034290 [0,1,0,1,0,0|1,0,1]=4 3153 B13R1.704 COC(=O)C(C)O[C@H]1CCC[C@H]1C 7715feef16187c957cbac2c9917d7ad8 [0,1,0,1,0,0|1,0,1]=4 3154 B13R1.704 COC(=O)[C@@H](C)OC1CCCC1C 1632f0f6bea0ed23553dde0d423c2295 [0,1,0,1,0,0|1,0,1]=4 3155 B13R1.704 COC(=O)[C@@H](C)O[C@@H]1CCC[C@@H]1C 95b6c22d691429eacf09d441e6309ccf [0,1,0,1,0,0|1,0,1]=4 3156 B13R1.704 COC(=O)[C@@H](C)O[C@@H]1CCC[C@H]1C 17e484ee32ec7f1cb2e759792fb1b73c [0,1,0,1,0,0|1,0,1]=4 3157 B13R1.704 COC(=O)[C@@H](C)O[C@H]1CCC[C@@H]1C 693185c6518cfec3d0f40f73a5a749ef [0,1,0,1,0,0|1,0,1]=4 3158 B13R1.704 COC(=O)[C@@H](C)O[C@H]1CCC[C@H]1C 0513ef453b30cf26e09e06a2f2466170 [0,1,0,1,0,0|1,0,1]=4 3159 B13R1.704 COC(=O)[C@H](C)OC1CCCC1C 0008b181655198dc9749bc2ea6a9d3e5 [0,1,0,1,0,0|1,0,1]=4 3160 B13R1.704 COC(=O)[C@H](C)O[C@@H]1CCC[C@@H]1C 44bddd13a8dc0a8258956998ebcd0b55 [0,1,0,1,0,0|1,0,1]=4 3161 B13R1.704 COC(=O)[C@H](C)O[C@@H]1CCC[C@H]1C b6d1d0a770af47ecc2eef95ce96f646f [0,1,0,1,0,0|1,0,1]=4 3162 B13R1.704 COC(=O)[C@H](C)O[C@H]1CCC[C@@H]1C 0f3bb7eb098f805c032a1823af5ada0f [0,1,0,1,0,0|1,0,1]=4 3163 B13R1.704 COC(=O)[C@H](C)O[C@H]1CCC[C@H]1C 16d49d6764aac8239734aff289718913 [0,1,0,1,0,0|1,0,1]=4 3164 B13R1.1885 CCCCCCN1CC1C(=O)OC b9b6b61fb1e749e413739587dd81ef80 [0,1,0,1,0,0|0,0,2]=4 3165 B13R1.1885 CCCCCCN1C[C@H]1C(=O)OC 873c0326390cf4b4588d2040e143bc06 [0,1,0,1,0,0|0,0,2]=4 3166 B13R1.1885 CCCCCNC1CC1C(=O)OC 3acf6ca6e2f920ecb7ba6203e51474ec [0,1,0,1,0,0|0,0,2]=4 3167 B13R1.1885 CCCCCOC1CC1C(=O)OC d86f53f16c4195ec9529a5e0f35d7c61 [0,1,0,1,0,0|0,0,2]=4 3168 B13R1.1885 CCCCNC[C@@H]1C[C@H]1C(=O)OC 1002cd25782b8d1efc29bbcc7c4bfd4a [0,1,0,1,0,0|0,0,2]=4 3169 B13R1.1885 CCCCOCC1CC1C(=O)OC 915f197432d9f1784fbf7b3623b09b25 [0,1,0,1,0,0|0,0,2]=4 3170 B13R1.1885 CCCCOC[C@@H]1C[C@@H]1C(=O)OC 5f117687d689a9d9e642bcd9d2648b04 [0,1,0,1,0,0|0,0,2]=4 3171 B13R1.1885 CCCCOC[C@@H]1C[C@H]1C(=O)OC e39f60d3a27d7d2f07ca83e34b145263 [0,1,0,1,0,0|0,0,2]=4 3172 B13R1.1885 CCCCOC[C@H]1C[C@@H]1C(=O)OC 57ef2cbbbfc8b5f7f81b188203451a36 [0,1,0,1,0,0|0,0,2]=4 3173 B13R1.1885 CCCOCC[C@H]1C[C@@H]1C(=O)OC fdbda7009f844c26b7e1b6f2231ad1d6 [0,1,0,1,0,0|0,0,2]=4 3174 B13R1.2620 COC(=O)C(=O)N1CCCCCC1 5a599d276839f9c49dca60ec648bee2c [0,1,0,1,0,0|1,0,1]=4 3175 B13R1.2620 COC(=O)C(C)N1CCCCCC1 6d6f49628a56202d6a07169808d45dea [0,1,0,1,0,0|1,0,1]=4 3176 B13R1.2620 COC(=O)[C@@H](C)N1CCCCCC1 f3a2af520503959263be2a64f2adea8b [0,1,0,1,0,0|1,0,1]=4 3177 B13R1.2620 COC(=O)[C@H](C)N1CCCCCC1 5dc33399d9a102ff7cfc668c9fdc6b10 [0,1,0,1,0,0|1,0,1]=4 3178 B13R1.667 CCCCCCNCC1COC1=O 79235c75eb011c1660debd214209c865 [0,1,0,1,0,0|0,0,2]=4 3179 B13R1.667 CCCCCCOCC1COC1=O 032322bdfe049220b7567d334742118f [0,1,0,1,0,0|0,0,2]=4 3180 B13R1.528 COC(=O)CCN1CCCCC1C ef8c98f2f34f940a739ee3de8f03b8cf [0,1,0,1,0,0|0,0,2]=4 3181 B13R1.528 COC(=O)CCN1CCCC[C@@H]1C c488d3543a40e6300a50858ebd6e1dc2 [0,1,0,1,0,0|0,0,2]=4 3182 B13R1.528 COC(=O)CCN1CCCC[C@H]1C 58a42fb055e141f7db8424589aab1652 [0,1,0,1,0,0|0,0,2]=4 3183 B13R1.528 COC(=O)CNC1CCCCC1C 35a184b111497c6de6452d16ee326255 [0,1,0,1,0,0|0,0,2]=4 3184 B13R1.528 COC(=O)CNC1CCCCC1F 75b78784db9a9315213cf71afea87339 [0,1,0,1,0,0|1,0,1]=4 3185 B13R1.528 COC(=O)CNC1CCCCC1O b50a4ff1d08e36ad73b39c80cc9f40d8 [0,1,0,1,0,0|1,0,1]=4 3186 B13R1.528 COC(=O)CNC1CCOCC1C bbe8ca04d06208267f810c8523726944 [0,1,0,1,0,0|1,0,1]=4 3187 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@@H]1C 0a7ce6f2abd603141199bba264a9e621 [0,1,0,1,0,0|0,0,2]=4 3188 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1C 644767dc0ca5abaae7e2159873358be7 [0,1,0,1,0,0|0,0,2]=4 3189 B13R1.528 COC(=O)CN[C@@H]1CCCC[C@H]1O b56b20e2a515a6ca4bd229acf08e592e [0,1,0,1,0,0|1,0,1]=4 3190 B13R1.528 COC(=O)CN[C@@H]1CCOC[C@@H]1C 9803f4c21b7fbdb60156f5abc1f55e1f [0,1,0,1,0,0|1,0,1]=4 3191 B13R1.528 COC(=O)CN[C@H]1CCCC[C@@H]1C 729b9c55193cef1ba96c140e08e164fc [0,1,0,1,0,0|0,0,2]=4 3192 B13R1.528 COC(=O)CN[C@H]1CCCC[C@@H]1O 321b7a5012c00985256995e0c854605a [0,1,0,1,0,0|1,0,1]=4 3193 B13R1.528 COC(=O)CN[C@H]1CCCC[C@H]1C e3890e74e6d11e455205c25a189e97aa [0,1,0,1,0,0|0,0,2]=4 3194 B13R1.528 COC(=O)CN[C@H]1CCCC[C@H]1O 648f1866a78451f91430fb180ae39e35 [0,1,0,1,0,0|1,0,1]=4 3195 B13R1.528 COC(=O)CN[C@H]1CCOC[C@H]1C 7a145b4c936885313d99dfc12f7c4392 [0,1,0,1,0,0|1,0,1]=4 3196 B13R1.528 COC(=O)COC1CCCCC1C b74de9510a00a985e674edd292923b4f [0,1,0,1,0,0|0,0,2]=4 3197 B13R1.528 COC(=O)COC1CCCCC1F 020e4e75821d7fe65ef19dff721e2953 [0,1,0,1,0,0|1,0,1]=4 3198 B13R1.528 COC(=O)COC1CCOCC1C f31145225f89d95cd86ad4297ac41c41 [0,1,0,1,0,0|1,0,1]=4 3199 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@@H]1C e67e19786db9771ad0a8cf07b41d6b3e [0,1,0,1,0,0|0,0,2]=4 3200 B13R1.528 COC(=O)CO[C@@H]1CCCC[C@H]1F 5e925eee87a60e3cdc1621ec17aa1921 [0,1,0,1,0,0|1,0,1]=4 3201 B13R1.528 COC(=O)CO[C@H]1CCCC[C@@H]1C 06c191f546ddb7e0ac5a03f84a4e57ea [0,1,0,1,0,0|0,0,2]=4 3202 B13R1.528 COC(=O)CO[C@H]1CCCC[C@H]1C 00bb601598a60bdb0cfce4a3b75d221e [0,1,0,1,0,0|0,0,2]=4 3203 B13R1.528 COC(=O)OCN1CCCCC1C 17d16b29865ff1db54f7e1345182fc7d [0,1,0,1,0,0|1,0,1]=4 3204 B13R1.528 COC(=O)OCN1CCCC[C@@H]1C a2371ec80aa38e01b37c6ad9f788c0db [0,1,0,1,0,0|1,0,1]=4 3205 B13R1.528 COC(=O)OCN1CCCC[C@H]1C 712a9feba74b66c53a277d22ab301d05 [0,1,0,1,0,0|1,0,1]=4 3206 B13R1.717 COC(=O)C#CCN1CCC(C1)C 540748ad735f563030df1f1faf6b42e9 [0,1,0,1,0,0|1,0,0]=3 3207 B13R1.717 COC(=O)C#CCN1CCC(C1)O 65bf120fe9343f16d8a88290768c0a3a [0,1,0,1,0,0|1,0,0]=3 3208 B13R1.717 COC(=O)C#CCN1CCN(C1)C 0ac679f4651c4dd2aac616694338b8f6 [0,1,0,1,0,0|2,0,0]=4 3209 B13R1.717 COC(=O)C#CCN1CC[C@@H](C1)O 59b0be4e2095d1e8b54ed033dff01488 [0,1,0,1,0,0|1,0,0]=3 3210 B13R1.717 COC(=O)C#CCN1CC[C@H](C1)O a8cf66d2944ba20fd1f91b2a61f4e5d4 [0,1,0,1,0,0|1,0,0]=3 3211 B13R1.717 COC(=O)CNCC1CCC(C1)O dd5d3cafbe7c6b20031c1d1731d1a330 [0,1,0,1,0,0|1,0,1]=4 3212 B13R1.717 COC(=O)COCC1CCC(C1)C 9c25a1225e4fee79d336bbade2a44563 [0,1,0,1,0,0|1,0,1]=4 3213 B13R1.717 COC(=O)COCC1CCC(C1)F 8b4bb0cbb9a113203180110ca52ef720 [0,1,0,1,0,0|1,0,1]=4 3214 B13R1.717 COC(=O)COCC1CCC(O1)C 5d591cef212e4de0cc3884674be8a6d8 [0,1,0,1,0,0|1,0,1]=4 3215 B13R1.717 COC(=O)COC[C@@H]1CC[C@@H](O1)C acd5804634667fab03f179813489d3c1 [0,1,0,1,0,0|1,0,1]=4 3216 B13R1.717 COC(=O)COC[C@@H]1CC[C@H](C1)F cfcb707769ad588b715496b85ac3a150 [0,1,0,1,0,0|1,0,1]=4 3217 B13R1.717 COC(=O)COC[C@H]1CC[C@H](C1)F 488648b6ac3c15a5f88169dc374c2581 [0,1,0,1,0,0|1,0,1]=4 3218 B13R1.718 COC(=O)C#CCN1CC=CCC1 424989ccaa5342816aa36745891c6e43 [0,1,0,1,0,0|0,0,2]=4 3219 B13R1.718 COC(=O)C#CCN1CCCOC1 f36455b0c61283a7e2b88b7bdf3274ff [0,1,0,1,0,0|1,0,0]=3 3220 B13R1.718 COC(=O)C#CCN1CCCSC1 e0f16ddc5370b15cb3d5e82134c62b46 [0,1,0,1,0,0|1,0,0]=3 3221 B13R1.718 COC(=O)C#CCN1CCSCC1 7b7cf7d933f2772d42d9a44b6182221f [0,1,0,1,0,0|1,0,0]=3 3222 B13R1.718 COC(=O)CCNC1CCCCC1 6c834d69f457e3814fdbd355ce9a1cd4 [0,1,0,1,0,0|0,0,2]=4 3223 B13R1.718 COC(=O)CCOC1CCCCC1 e2a70e07c7489fc3c073c1ca57528dcf [0,1,0,1,0,0|0,0,2]=4 3224 B13R1.718 COC(=O)CNCC1CCCCC1 edbcfef674468e02b1702e0ecd4a528a [0,1,0,1,0,0|0,0,2]=4 3225 B13R1.718 COC(=O)CNCC1CCCCO1 0836cc05df886c59e04195bc8a7ec2bb [0,1,0,1,0,0|1,0,1]=4 3226 B13R1.718 COC(=O)CNCC1CCCOC1 a25859a130f9312b264f6595bd8d4bb4 [0,1,0,1,0,0|1,0,1]=4 3227 B13R1.718 COC(=O)CNCC1CCOCC1 d9cc78f40518dfc5cec148b7452096b6 [0,1,0,1,0,0|1,0,1]=4 3228 B13R1.718 COC(=O)CNCC1CCSCC1 97be5f3bc8f7710f33ea223082c3313b [0,1,0,1,0,0|1,0,1]=4 3229 B13R1.718 COC(=O)CNC[C@@H]1CCCOC1 86a88fc1607bc5d09ee5ea6ca41363f8 [0,1,0,1,0,0|1,0,1]=4 3230 B13R1.718 COC(=O)CNC[C@H]1CCCOC1 62e8604daacdf187d2974b3f7b81f4ce [0,1,0,1,0,0|1,0,1]=4 3231 B13R1.718 COC(=O)COCC1CCCCC1 0312531890271d63d212b0994c889dd8 [0,1,0,1,0,0|0,0,2]=4 3232 B13R1.718 COC(=O)COCC1CCCCO1 e83c2357ac433291042ec4565e5d75c9 [0,1,0,1,0,0|1,0,1]=4 3233 B13R1.718 COC(=O)COCC1CCCOC1 683e88a39be75da3ec7c93c84e1d5537 [0,1,0,1,0,0|1,0,1]=4 3234 B13R1.718 COC(=O)COCC1CCOCC1 fd375afb204be8e7c542e11b1af9eb87 [0,1,0,1,0,0|1,0,1]=4 3235 B13R1.718 COC(=O)COCC1CCSCC1 0a35e1e447c0eef8a22f86cbda42bb51 [0,1,0,1,0,0|1,0,1]=4 3236 B13R1.718 COC(=O)COC[C@@H]1CCCCO1 757b2c0e4ea1f7d04b9991c41cbf4847 [0,1,0,1,0,0|1,0,1]=4 3237 B13R1.718 COC(=O)COC[C@@H]1CCCOC1 e890919af9885169d4cc08441f9283e0 [0,1,0,1,0,0|1,0,1]=4 3238 B13R1.718 COC(=O)COC[C@H]1CCCCO1 a1e6ffaf53e14b9dc387ddff04ebbb15 [0,1,0,1,0,0|1,0,1]=4 3239 B13R1.718 COC(=O)COC[C@H]1CCCOC1 07b4ff3881bbe3cd1ae49c73e0c58a48 [0,1,0,1,0,0|1,0,1]=4 3240 B13R1.718 COC(=O)OCOC1CCCCC1 1a602a54bb58177feaba28ae34d27642 [0,1,0,1,0,0|1,0,1]=4 3241 B13R1.1739 COC(=O)C#CCN(C)CC1CC1 6ed7d3204fa23858b397a780897ca878 [0,1,0,1,0,0|1,0,0]=3 3242 B13R1.1868 COC(=O)CN1CCCCC(C1)O c0b78e69ffe3a05139a5bdc986413c11 [0,1,0,1,0,0|1,0,1]=4 3243 B13R1.1868 COC(=O)CN1CCCC[C@H](C1)O 1740843bb8fd7dfd9c9de1a971425223 [0,1,0,1,0,0|1,0,1]=4 3244 B13R1.2062 COC(=O)CNCC1(CCCC1)C 41d1d6598bdbce40ac2b137b2b16df6c [0,1,0,1,0,0|1,0,1]=4 3245 B13R1.2062 COC(=O)CNCC1(CCCC1)F 2d83f77e41d2ca4cd327624c7fd76b03 [0,1,0,1,0,0|1,0,1]=4 3246 B13R1.2062 COC(=O)CNCC1(CCCC1)O 61629f1cd4a8ae0ff576cd6f3199eb39 [0,1,0,1,0,0|1,0,1]=4 3247 B13R1.2062 COC(=O)COCC1(CCCC1)C 3092e3e9c128f5855175d9f0b2298b6a [0,1,0,1,0,0|1,0,1]=4 3248 B13R1.2062 COC(=O)COCC1(CCCC1)F 2283c1bc942145bd187d0d089df02f76 [0,1,0,1,0,0|1,0,1]=4 3249 B13R1.2329 CCC1CN(C1)CC#CC(=O)OC d3818cc23c38c1f0bdbb2929a957ca7b [0,1,0,1,0,0|1,0,0]=3 3250 B13R1.2329 COC(=O)C#CCN1CC(C1)CF cf73eb33b1d860392f411c713666f33a [0,1,0,1,0,0|2,0,0]=4 3251 B13R1.2329 COC(=O)C#CCN1CC(C1)CO 8371b899a91e49b5c2693844bba63e12 [0,1,0,1,0,0|2,0,0]=4 3252 B13R1.2329 COC(=O)C#CCN1CC(C1)OC 938385c2de93ac0e1e5f00d9a95bc521 [0,1,0,1,0,0|2,0,0]=4 3253 B13R1.2872 COC(=O)CN1CC(CCC1C)O 7d6df28104517f078f199afbde7bfc44 [0,1,0,1,0,0|1,0,1]=4 3254 B13R1.2872 COC(=O)CN1C[C@@H](CC[C@H]1C)O bea98fe63a7e8c25fd979b966f270f53 [0,1,0,1,0,0|1,0,1]=4 3255 B13R1.11 COC(=O)CN(C)C1CCCCC1 e9ce3da146f6254be1aea528a029152c [0,1,0,1,0,0|1,0,1]=4 3256 B13R1.81 CCC1CCCN(C1)CC(=O)OC b3f8c476bd146e9333cedb295a189516 [0,1,0,1,0,0|1,0,1]=4 3257 B13R1.360 CCCC1CCN(C1)CC(=O)OC 2de75b35da086de2f37044feb73ca116 [0,1,0,1,0,0|1,0,1]=4 3258 B13R1.441 COC(=O)CN(C)CCC1CCC1 29b50cc79b08c9908ea269853fb149d7 [0,1,0,1,0,0|1,0,1]=4 3259 B13R1.545 COC(=O)CN(C)CC1CCCC1 b7c3019951ee8b9ee662c51ba6713569 [0,1,0,1,0,0|1,0,1]=4 3260 B13R1.1870 COC(=O)CN1CCCCCCC1 b0b76993eaa7b2258637ddd25e55d518 [0,1,0,1,0,0|0,0,2]=4 3261 B13R1.15 COC(=O)CNC1CCCC(C1)C 54a837339cde2c4194ed43622d8a025a [0,1,0,1,0,0|1,0,1]=4 3262 B13R1.15 COC(=O)CNC1CCCC(C1)O 0f5a201259c4ee7ac1b89c064fd7f9ec [0,1,0,1,0,0|1,0,1]=4 3263 B13R1.15 COC(=O)CN[C@@H]1CCC[C@@H](C1)O 2781c9dfb2a171dc08d1f303f64f5f00 [0,1,0,1,0,0|1,0,1]=4 3264 B13R1.15 COC(=O)CN[C@@H]1CCC[C@H](C1)C 7a6b51f9570fd932dced6a9b299a1753 [0,1,0,1,0,0|1,0,1]=4 3265 B13R1.15 COC(=O)CN[C@@H]1CCC[C@H](C1)O f53dd5bad91b5d8f50b5e6f9cb466cff [0,1,0,1,0,0|1,0,1]=4 3266 B13R1.15 COC(=O)CN[C@H]1CCC[C@@H](C1)O c1c68ee9adcf23fed1c5e107a7f43cd5 [0,1,0,1,0,0|1,0,1]=4 3267 B13R1.15 COC(=O)CN[C@H]1CCC[C@H](C1)O b9831d0709e4a4e77533180d6dac33b7 [0,1,0,1,0,0|1,0,1]=4 3268 B13R1.15 COC(=O)COC1CCCC(C1)C fef8ce66d7a437f935eda49232439eff [0,1,0,1,0,0|1,0,1]=4 3269 B13R1.15 COC(=O)CO[C@@H]1CCC[C@@H](C1)C 70dbe05963e49d100f61e0ffda772c6c [0,1,0,1,0,0|1,0,1]=4 3270 B13R1.15 COC(=O)CO[C@H]1CCC[C@@H](C1)C f66a1fcf38bca9f18682e7ab3afc3534 [0,1,0,1,0,0|1,0,1]=4 3271 B13R1.15 COC(=O)CO[C@H]1CCC[C@H](C1)C 3cd757dd574b84782f0822b2f1d2aa21 [0,1,0,1,0,0|1,0,1]=4 3272 B13R1.162 COC(=O)CNC(C)C1CCCC1 8465ab150a0877f2bc595aee39e94c97 [0,1,0,1,0,0|1,0,1]=4 3273 B13R1.162 COC(=O)COC(C)C1CCCC1 298b65474426fc6aaedfd84b1094fa78 [0,1,0,1,0,0|1,0,1]=4 3274 B13R1.527 COC(=O)CN1CCCCCC1C d64d1c75b896111b8b52ec537bb7628e [0,1,0,1,0,0|0,0,2]=4 3275 B13R1.527 COC(=O)CN1CCCOCC1C b71fe3249375c1ba37149911abf63893 [0,1,0,1,0,0|1,0,1]=4 3276 B13R1.527 COC(=O)CN1CCOCCC1C 88f40f60b878d5fb2c6aa3f22e684ab3 [0,1,0,1,0,0|1,0,1]=4 3277 B13R1.527 COC(=O)CN1CCSCCC1C 77b74f243a06ef2b059a409fff9eee55 [0,1,0,1,0,0|1,0,1]=4 3278 B13R1.1711 COC(=O)CCN1CCCCCC1 5e5071b691467f8c1399fd481d84eb22 [0,1,0,1,0,0|0,0,2]=4 3279 B13R1.1711 COC(=O)CNC1CCCCCC1 b16ba115e3dcdf69c544cb1eaaefa267 [0,1,0,1,0,0|0,0,2]=4 3280 B13R1.1711 COC(=O)CNC1CCCOCC1 b118ae404e97484d329c3db89ed52176 [0,1,0,1,0,0|1,0,1]=4 3281 B13R1.1711 COC(=O)COC1CCCCCC1 34b7b213576e112cb4be06d7516d609e [0,1,0,1,0,0|0,0,2]=4 3282 B13R1.1711 COC(=O)COC1CCCOCC1 901a2fb2220a96aa11cccb163e60e9e8 [0,1,0,1,0,0|1,0,1]=4 3283 B13R1.1711 COC(=O)OCN1CCCCCC1 0070e783c5623d6aa623d7b63b35ba56 [0,1,0,1,0,0|1,0,1]=4 3284 B13R1.2045 COC(=O)CNC1(CCCCC1)C e1a255fbdd6ba70bdfcde17b9d99dce3 [0,1,0,1,0,0|1,0,1]=4 3285 B13R1.4928 COC(=O)CN1C(CCCC1C)C cb6989ff17faa26de9a359f77fc97dbc [0,1,0,1,0,0|1,0,1]=4 3286 B13R1.4928 COC(=O)CN1[C@@H](CCC[C@@H]1C)C ec55e538389a1e5f134a45c1d38714b2 [0,1,0,1,0,0|1,0,1]=4 3287 B13R1.4928 COC(=O)CN1[C@@H](CCC[C@H]1C)C 8842f58b60525e9281995807c2856988 [0,1,0,1,0,0|1,0,1]=4 3288 B13R1.4928 COC(=O)CN1[C@H](CCC[C@@H]1C)C 0b89339a4c842acfcd56f323cb1a26b5 [0,1,0,1,0,0|1,0,1]=4 3289 B13R1.14 COC(=O)CNC1CCC(CC1)C 37e4d97b039f9c54aa53be08fff33831 [0,1,0,1,0,0|1,0,1]=4 3290 B13R1.14 COC(=O)CNC1CCC(CC1)Cl 12e88baaad5a415abbb6bfa7b2d7c952 [0,1,0,1,0,0|1,0,1]=4 3291 B13R1.14 COC(=O)CNC1CCC(CC1)O 48d57d704e8420d189477013465a06d3 [0,1,0,1,0,0|1,0,1]=4 3292 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)C ee331f0af35d7e9410adfd4c25b8db3b [0,1,0,1,0,0|1,0,1]=4 3293 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)Cl 54c8507ba4278c9c624f8067bf5baaee [0,1,0,1,0,0|1,0,1]=4 3294 B13R1.14 COC(=O)CN[C@H]1CC[C@@H](CC1)O 70f4357754bb3c71dad798d04929ce8f [0,1,0,1,0,0|1,0,1]=4 3295 B13R1.14 COC(=O)CN[C@H]1CC[C@H](CC1)C 460b31f38e5069b08e1a92320cdadc61 [0,1,0,1,0,0|1,0,1]=4 3296 B13R1.14 COC(=O)CN[C@H]1CC[C@H](CC1)Cl de6052ca334f36b66d7956d081483c7d [0,1,0,1,0,0|1,0,1]=4 3297 B13R1.14 COC(=O)CN[C@H]1CC[C@H](CC1)O 142a71165e55302c80cc0d83e02aef04 [0,1,0,1,0,0|1,0,1]=4 3298 B13R1.14 COC(=O)COC1CCC(CC1)C 2af4f4f3baca3a945a2d34758b20e205 [0,1,0,1,0,0|1,0,1]=4 3299 B13R1.14 COC(=O)COC1CCC(CC1)F 7f69ddfb8748f2d2b1fd0dafe063509a [0,1,0,1,0,0|1,0,1]=4 3300 B13R1.14 COC(=O)CO[C@H]1CC[C@@H](CC1)C ce1a87c3d02e200ee0ebb62dcb03087f [0,1,0,1,0,0|1,0,1]=4 3301 B13R1.14 COC(=O)CO[C@H]1CC[C@H](CC1)C 7f45679bc14b2739a5c66dcc20d81719 [0,1,0,1,0,0|1,0,1]=4 3302 B13R1.40 COC(=O)CN1CCCC(C1C)O e6048c140a5f7858b75224bfa5aa62ac [0,1,0,1,0,0|1,0,1]=4 3303 B13R1.40 COC(=O)CN1CCC[C@@H]([C@H]1C)O e38af52ebb243f1b8fad8b1020cf08a1 [0,1,0,1,0,0|1,0,1]=4 3304 B13R1.40 COC(=O)CN1CCC[C@H]([C@@H]1C)O bbc47714b3e3685c43c458b78e7acff1 [0,1,0,1,0,0|1,0,1]=4 3305 B13R1.538 C=C1CC1COCC#CC(=O)OC 88d1522313e925c175370ccbf26f5fb3 [0,1,0,1,0,0|0,0,2]=4 3306 B13R1.538 COC(=O)/C=C/COCC1CC1C c7d78f0e0c21b5cea4d0773ee98bc721 [0,1,0,1,0,0|0,0,2]=4 3307 B13R1.538 COC(=O)/C=C/COC[C@@H]1C[C@@H]1C cb52e6eb37f6d6d90e9517977a18a2bb [0,1,0,1,0,0|0,0,2]=4 3308 B13R1.538 COC(=O)/C=C/COC[C@@H]1C[C@H]1C a722bc8722773f7df584dbfebbcfb89f [0,1,0,1,0,0|0,0,2]=4 3309 B13R1.538 COC(=O)/C=C/COC[C@H]1C[C@@H]1C 974b27363dcaf20a5b70766741c8e417 [0,1,0,1,0,0|0,0,2]=4 3310 B13R1.538 COC(=O)/C=C\COCC1CC1C b90296a5cf9b940389dab19b37a38606 [0,1,0,1,0,0|0,0,2]=4 3311 B13R1.538 COC(=O)/C=C\COC[C@@H]1C[C@@H]1C 5336e12467a52820146f871312c2936f [0,1,0,1,0,0|0,0,2]=4 3312 B13R1.538 COC(=O)/C=C\COC[C@@H]1C[C@H]1C cc366d1da0b67ed615b69ba85a51b81d [0,1,0,1,0,0|0,0,2]=4 3313 B13R1.538 COC(=O)/C=C\COC[C@H]1C[C@@H]1C cd819c02bba5d565616cd4b2dea7f554 [0,1,0,1,0,0|0,0,2]=4 3314 B13R1.538 COC(=O)C#CCOCC1CC1C 1e9be9c8d677f513f762214a0701569a [0,1,0,1,0,0|0,0,0]=2 3315 B13R1.538 COC(=O)C#CCOC[C@@H]1C[C@@H]1C 7b7c7223bb6b637159c7a5d6932338b8 [0,1,0,1,0,0|0,0,0]=2 3316 B13R1.538 COC(=O)C#CCOC[C@@H]1C[C@@H]1F f09caaebc08017e86e61c9d872899536 [0,1,0,1,0,0|1,0,0]=3 3317 B13R1.538 COC(=O)C#CCOC[C@@H]1C[C@H]1C e35dbc3819a4803cced2ac5752b6cc4b [0,1,0,1,0,0|0,0,0]=2 3318 B13R1.538 COC(=O)C#CCOC[C@@H]1C[C@H]1F 0ed00688d80f53de8e056f826dddbc61 [0,1,0,1,0,0|1,0,0]=3 3319 B13R1.538 COC(=O)C#CCOC[C@H]1C[C@@H]1C b7b9daa3fc92f408faeb20ffad8801b3 [0,1,0,1,0,0|0,0,0]=2 3320 B13R1.538 COC(=O)C#CCOC[C@H]1C[C@@H]1F eafd151e545bacb7500cccbf7862e7d4 [0,1,0,1,0,0|1,0,0]=3 3321 B13R1.538 COC(=O)C#CCOC[C@H]1C[C@H]1F e277c44d581fcbe6362a254bbd26f0f9 [0,1,0,1,0,0|1,0,0]=3 3322 B13R1.538 COC(=O)C=CCOCC1CC1C 0cd6386f11f910f4a8c7b254e03f570b [0,1,0,1,0,0|0,0,2]=4 3323 B13R1.538 COC(=O)C=CCOC[C@@H]1C[C@@H]1C fa894635ec851a96878cba9994cdab11 [0,1,0,1,0,0|0,0,2]=4 3324 B13R1.538 COC(=O)C=CCOC[C@@H]1C[C@H]1C c0291c207d40e22c4afe179192699f29 [0,1,0,1,0,0|0,0,2]=4 3325 B13R1.538 COC(=O)C=CCOC[C@H]1C[C@@H]1C ac2a534d6070c858f11b92aabfbf392b [0,1,0,1,0,0|0,0,2]=4 3326 B13R1.538 COC(=O)CCCCNC1CC1C fff1ff0ced2c194c1f07ff18bc4c45a6 [0,1,0,1,0,0|0,0,2]=4 3327 B13R1.538 COC(=O)CCCOCC1CC1C 4fd9dbc215860a4c232bae6aa2014236 [0,1,0,1,0,0|0,0,2]=4 3328 B13R1.538 COC(=O)CCCOC[C@@H]1C[C@@H]1C 1d1bc1130ba7b0b4b60e16ffca8da145 [0,1,0,1,0,0|0,0,2]=4 3329 B13R1.538 COC(=O)CCCOC[C@@H]1C[C@H]1C 842061fbd7908c72de0914ea3429eb3e [0,1,0,1,0,0|0,0,2]=4 3330 B13R1.538 COC(=O)CCCOC[C@H]1C[C@@H]1C 87714f07777461d9a6e8760301145071 [0,1,0,1,0,0|0,0,2]=4 3331 B13R1.538 COC(=O)COCCNC1CC1C 7bcd2974d41d1b3dc8e681b0632aec03 [0,1,0,1,0,0|1,0,1]=4 3332 B13R1.539 COC(=O)/C=C/CNCC1CCC1 11b304581d11b87753e29ba5b7eb8660 [0,1,0,1,0,0|0,0,2]=4 3333 B13R1.539 COC(=O)/C=C/COCC1CCC1 679d12daa3df8ed9dedd23b378d377d7 [0,1,0,1,0,0|0,0,2]=4 3334 B13R1.539 COC(=O)/C=C\CNCC1CCC1 2cf52fd8d13c6fc6695515f3b053ec55 [0,1,0,1,0,0|0,0,2]=4 3335 B13R1.539 COC(=O)/C=C\COCC1CCC1 3a8d95b0e7d942ea79978ba39a0ee48c [0,1,0,1,0,0|0,0,2]=4 3336 B13R1.539 COC(=O)C#CCNCC1CCC1 bb575657fc1de04673b61db6025298fd [0,1,0,1,0,0|0,0,0]=2 3337 B13R1.539 COC(=O)C#CCNCC1CCO1 07440f8d72205ba7bb84f1846f1a0b21 [0,1,0,1,0,0|1,0,0]=3 3338 B13R1.539 COC(=O)C#CCNCC1COC1 a118798da8c27d725e3480d87a56a2c1 [0,1,0,1,0,0|1,0,0]=3 3339 B13R1.539 COC(=O)C#CCNC[C@@H]1CCO1 d3f215e561294cfed748c741e0db71dc [0,1,0,1,0,0|1,0,0]=3 3340 B13R1.539 COC(=O)C#CCNC[C@H]1CCO1 5d4ee9d7a2286ef5c6bda7649aac549e [0,1,0,1,0,0|1,0,0]=3 3341 B13R1.539 COC(=O)C#CCOCC1CCC1 30a8be8a1f6b9347d817162a4b2fc227 [0,1,0,1,0,0|0,0,0]=2 3342 B13R1.539 COC(=O)C#CCOCC1CCO1 bb4313b04410fdc9dcc9e0ded29af2aa [0,1,0,1,0,0|1,0,0]=3 3343 B13R1.539 COC(=O)C#CCOCC1COC1 26658772a8d4c184b874d80d1be46eed [0,1,0,1,0,0|1,0,0]=3 3344 B13R1.539 COC(=O)C#CCOCC1CSC1 694d12d0cf40ed3dc6148117a405ad7a [0,1,0,1,0,0|1,0,0]=3 3345 B13R1.539 COC(=O)C#CCOC[C@@H]1CCO1 dc8a6a7eab9eee015ec37fd399a49bd6 [0,1,0,1,0,0|1,0,0]=3 3346 B13R1.539 COC(=O)C#CCOC[C@H]1CCO1 cbdaec4bf0f5b608f10f52566b7f3bc3 [0,1,0,1,0,0|1,0,0]=3 3347 B13R1.539 COC(=O)C=CCNCC1CCC1 d8f16ee04b6303c3bdb83bbd35260f41 [0,1,0,1,0,0|0,0,2]=4 3348 B13R1.539 COC(=O)C=CCOCC1CCC1 48da645f1ded9d65e3b2fd35735fba14 [0,1,0,1,0,0|0,0,2]=4 3349 B13R1.539 COC(=O)CCCCCN1CCC1 5b935425eb9bf7bb109dc60df8cb2b54 [0,1,0,1,0,0|0,0,2]=4 3350 B13R1.539 COC(=O)CCCCNC1CCC1 e589182e9d4fd70f1509d8934205f806 [0,1,0,1,0,0|0,0,2]=4 3351 B13R1.539 COC(=O)CCCCOC1CCC1 c848757f11634e65b1417a5f755cbd36 [0,1,0,1,0,0|0,0,2]=4 3352 B13R1.539 COC(=O)CCCNCC1CCC1 41512d18de8f66e0bb22982c6d90b87d [0,1,0,1,0,0|0,0,2]=4 3353 B13R1.539 COC(=O)CCCOCC1CCC1 a2e59722fad73455431d3d7a37150133 [0,1,0,1,0,0|0,0,2]=4 3354 B13R1.539 COC(=O)CCNCCC1CCC1 1497ace9fbaf1d43a8b83302755d9ec4 [0,1,0,1,0,0|0,0,2]=4 3355 B13R1.539 COC(=O)CCOCCC1CCC1 117ba06f9d41e95870c3b7b0f740b19f [0,1,0,1,0,0|0,0,2]=4 3356 B13R1.539 COC(=O)CNCCCN1CCC1 b4cce6230af0b955e2a0315ea78fc054 [0,1,0,1,0,0|1,0,1]=4 3357 B13R1.539 COC(=O)CNCCOC1CCC1 0bf9ac01f0229c8613a80a83afe44f37 [0,1,0,1,0,0|1,0,1]=4 3358 B13R1.539 COC(=O)COCCCC1CCC1 75117038e5a73364080284ac43118f95 [0,1,0,1,0,0|0,0,2]=4 3359 B13R1.539 COC(=O)COCCCC1COC1 8d2df1b03474e82f5435342cab777b71 [0,1,0,1,0,0|1,0,1]=4 3360 B13R1.539 COC(=O)COCCCN1CCC1 d8cdbbb15b1071fac59ccaa8821d543d [0,1,0,1,0,0|1,0,1]=4 3361 B13R1.539 COC(=O)COCCNC1CCC1 b6afd8946e421593f82e08b31a93072d [0,1,0,1,0,0|1,0,1]=4 3362 B13R1.539 COC(=O)COCCOC1CCC1 5fd6ed5c8f551d89b1de276d4f224626 [0,1,0,1,0,0|1,0,1]=4 3363 B13R1.539 COC(=O)CSCCCN1CCC1 9668f95dca55bb59f0f5f8f9ead71f12 [0,1,0,1,0,0|1,0,1]=4 3364 B13R1.539 COC(=O)OCCOCC1CCC1 bcc539fc53d46f811e1e9d801cf5ef82 [0,1,0,1,0,0|1,0,1]=4 3365 B13R1.539 COC(=O)OCNCCC1CCC1 f264102b3f35473d5ddc0e1e92c55670 [0,1,0,1,0,0|1,0,1]=4 3366 B13R1.539 COC(=O)OCOCCC1CCC1 fa602eef7923d8431b8b1e4448594049 [0,1,0,1,0,0|1,0,1]=4 3367 B13R1.595 COC(=O)/C=C/CN[C@@H]1CC[C@H]1C 143c64274e6a51247a4ed0d792a6b11a [0,1,0,1,0,0|0,0,2]=4 3368 B13R1.595 COC(=O)/C=C/CN[C@H]1CC[C@H]1C 2f33c8c863fd062ab12be850a727ccdc [0,1,0,1,0,0|0,0,2]=4 3369 B13R1.595 COC(=O)/C=C\CN[C@@H]1CC[C@H]1C 5ea344e8fbe791dc2230a3937408a206 [0,1,0,1,0,0|0,0,2]=4 3370 B13R1.595 COC(=O)/C=C\CN[C@H]1CC[C@H]1C a65ab9f973af797f85f1f73e1f52d79c [0,1,0,1,0,0|0,0,2]=4 3371 B13R1.595 COC(=O)C#CCNC1CCC1F 9b7d79f1140a705120fb30c699c58354 [0,1,0,1,0,0|1,0,0]=3 3372 B13R1.595 COC(=O)C#CCNC1CCC1O 8601302bf5f15911c5955046e55048c2 [0,1,0,1,0,0|1,0,0]=3 3373 B13R1.595 COC(=O)C#CCNC1COC1C 915e1d80f50bb1261f2679173c3579cd [0,1,0,1,0,0|1,0,0]=3 3374 B13R1.595 COC(=O)C#CCN[C@@H]1CC[C@@H]1O 7637bdf468243bec7fbd49b2266a3a64 [0,1,0,1,0,0|1,0,0]=3 3375 B13R1.595 COC(=O)C#CCN[C@@H]1CC[C@H]1C 0eab25d43585185894ece6010e9b3534 [0,1,0,1,0,0|0,0,0]=2 3376 B13R1.595 COC(=O)C#CCN[C@@H]1CC[C@H]1O 3cd900d313d9cedfde3e504d12ee50a7 [0,1,0,1,0,0|1,0,0]=3 3377 B13R1.595 COC(=O)C#CCN[C@H]1CC[C@@H]1O 9da9a96ee34588a1a6e2b935e7f44341 [0,1,0,1,0,0|1,0,0]=3 3378 B13R1.595 COC(=O)C#CCN[C@H]1CC[C@H]1C d6316ae06f26cd5e7c6c67be5f1f9912 [0,1,0,1,0,0|0,0,0]=2 3379 B13R1.595 COC(=O)C#CCN[C@H]1CC[C@H]1O bd224422c61ae0cd7400a3d4673a39eb [0,1,0,1,0,0|1,0,0]=3 3380 B13R1.595 COC(=O)C#CCOC1CCC1=O ffd61fa483c217ecceb21e1cbc461163 [0,1,0,1,0,0|1,0,1]=4 3381 B13R1.595 COC(=O)C#CCOC1COC1C def232771b88b93bd612b9e6324f92bd [0,1,0,1,0,0|1,0,0]=3 3382 B13R1.595 COC(=O)C=CCN[C@@H]1CC[C@H]1C 36dd55becbd8ceedf30980b1c27e506b [0,1,0,1,0,0|0,0,2]=4 3383 B13R1.595 COC(=O)C=CCN[C@H]1CC[C@H]1C e969d7bb9e6b2b9b5aeaefed2959f65a [0,1,0,1,0,0|0,0,2]=4 3384 B13R1.595 COC(=O)CCCN[C@@H]1CC[C@H]1C 6290219bfd8fd8e859ad6586e882ea36 [0,1,0,1,0,0|0,0,2]=4 3385 B13R1.595 COC(=O)CCCN[C@H]1CC[C@H]1C d405beb0a3a46b17cdaf4f4aceed10dc [0,1,0,1,0,0|0,0,2]=4 3386 B13R1.619 COC(=O)C#CCN[C@@H]1C[C@@H]1OC c761a0bc5f97ab0e7b5a985290318724 [0,1,0,1,0,0|1,0,0]=3 3387 B13R1.619 COC(=O)C#CCOC1CC1C=O 8d2aa9993e6588997aea69061941d820 [0,1,0,1,0,0|1,0,1]=4 3388 B13R1.1741 COC(=O)C#CCNCC1(CC1)F 5490f0b616c2d15a9d8b67c226cdbd10 [0,1,0,1,0,0|1,0,0]=3 3389 B13R1.1741 COC(=O)C#CCNCC1(CC1)O 463a7fbf7c88bb096378b138b2240ebd [0,1,0,1,0,0|1,0,0]=3 3390 B13R1.1741 COC(=O)C#CCOCC1(CC1)Br ad01819125e4e724292514c16e6185a5 [0,1,0,1,0,0|1,0,0]=3 3391 B13R1.1741 COC(=O)C#CCOCC1(CC1)C 650d584fa0e3604094d7021982ed669b [0,1,0,1,0,0|1,0,0]=3 3392 B13R1.1741 COC(=O)C#CCOCC1(CC1)Cl 28a0d81a7a026839329ff6ecda484ebc [0,1,0,1,0,0|1,0,0]=3 3393 B13R1.1741 COC(=O)C#CCOCC1(CC1)F 99afc5fd79e8a7cea91eb8b970f29c67 [0,1,0,1,0,0|1,0,0]=3 3394 B13R1.1869 COC(=O)CN1CCCC(CC1)C eb87890254ea64bef278b979a9e0d13f [0,1,0,1,0,0|1,0,1]=4 3395 B13R1.1869 COC(=O)CN1CCCC(CC1)F 12ef7c57ac3a2b25e76eaa3157fbbe09 [0,1,0,1,0,0|1,0,1]=4 3396 B13R1.1869 COC(=O)CN1CCCC(CC1)O 06742f6550f24b10a47fe5a394618bd2 [0,1,0,1,0,0|1,0,1]=4 3397 B13R1.1869 COC(=O)CN1CCC[C@@H](CC1)O 0454fd2bd18a70ad9cbf47340cd16fc2 [0,1,0,1,0,0|1,0,1]=4 3398 B13R1.1869 COC(=O)CN1CCC[C@H](CC1)O 42579e44c4f9b76e181b8dfa024ef26d [0,1,0,1,0,0|1,0,1]=4 3399 B13R1.530 COC(=O)C#CCNC1CC(C1)O 58bd77d224b35cb39ee4d43d698be827 [0,1,0,1,0,0|1,0,0]=3 3400 B13R1.530 COC(=O)C#CCNC1CN(C1)C 544200262e7cc9c315b1ead6c12be8d8 [0,1,0,1,0,0|2,0,0]=4 3401 B13R1.530 COC(=O)C#CCN[C@H]1C[C@@H](C1)O fbbc42af6e1cf646afaf799372a156ef [0,1,0,1,0,0|1,0,0]=3 3402 B13R1.530 COC(=O)C#CCN[C@H]1C[C@H](C1)O cc5a583635b4fb423eba8c611540abc1 [0,1,0,1,0,0|1,0,0]=3 3403 B13R1.530 COC(=O)C#CCOC1CC(C1)C 128e3927c4a6fa9dd27c0940002841b4 [0,1,0,1,0,0|1,0,0]=3 3404 B13R1.530 COC(=O)C#CCOC1CC(C1)F 166fbb96c7927cdbf5a43449bb2dda2a [0,1,0,1,0,0|1,0,0]=3 3405 B13R1.530 COC(=O)C#CCOC1CN(C1)C 191d3c7e1d7ec010e20c92a058b9585f [0,1,0,1,0,0|2,0,0]=4 3406 B13R1.530 COC(=O)C#CCO[C@H]1C[C@@H](C1)F 901106b98fd1dcd258034351d8a3f341 [0,1,0,1,0,0|1,0,0]=3 3407 B13R1.530 COC(=O)C#CCO[C@H]1C[C@H](C1)F 0e2567c5d9e67784ea230e7a056a6c7e [0,1,0,1,0,0|1,0,0]=3 3408 B13R1.594 COC(=O)/C=C/CNCCC1CC1 9f141ac8deede43856681b0cf04b6962 [0,1,0,1,0,0|0,0,2]=4 3409 B13R1.594 COC(=O)/C=C/COCCC1CC1 a624ba1217a0dcac972ed7ea16d976b3 [0,1,0,1,0,0|0,0,2]=4 3410 B13R1.594 COC(=O)/C=C\CNCCC1CC1 39ae7cd37120ef738b3edcd3bb52ecb9 [0,1,0,1,0,0|0,0,2]=4 3411 B13R1.594 COC(=O)/C=C\COCCC1CC1 6a924ce259d15ec84e035617a027aca1 [0,1,0,1,0,0|0,0,2]=4 3412 B13R1.594 COC(=O)C#CCNCCC1CC1 967c98ce29fce6d6443f5bc03d742db5 [0,1,0,1,0,0|0,0,0]=2 3413 B13R1.594 COC(=O)C#CCNCCN1CC1 5a690cf39658e24311e67900bdf49dca [0,1,0,1,0,0|1,0,0]=3 3414 B13R1.594 COC(=O)C#CCOCCC1CC1 8deda398254d05f2c82a17b456fc4962 [0,1,0,1,0,0|0,0,0]=2 3415 B13R1.594 COC(=O)C#CCOCCN1CC1 3ebb4d8b5875eef7864c2dfe7ce6656d [0,1,0,1,0,0|1,0,0]=3 3416 B13R1.594 COC(=O)C=CCNCCC1CC1 3e345648bb0864a7766ad8d539740bda [0,1,0,1,0,0|0,0,2]=4 3417 B13R1.594 COC(=O)C=CCOCCC1CC1 b5e37c3ea80fe4697dc9e76f1bb959ac [0,1,0,1,0,0|0,0,2]=4 3418 B13R1.594 COC(=O)CCCCCNC1CC1 b33f49a20f0ef12360cfe7dbffd87091 [0,1,0,1,0,0|0,0,2]=4 3419 B13R1.594 COC(=O)CCCCCOC1CC1 a19a1baec6240f46c65879fd3cd8464b [0,1,0,1,0,0|0,0,2]=4 3420 B13R1.594 COC(=O)CCCCNCC1CC1 987b8409f7092c59b1cd4b12fec4b603 [0,1,0,1,0,0|0,0,2]=4 3421 B13R1.594 COC(=O)CCCCOCC1CC1 58edd3984adeb49462c1f9196a7cf71c [0,1,0,1,0,0|0,0,2]=4 3422 B13R1.594 COC(=O)CCCNCCC1CC1 b008b9012101c3953dab5df30b435f8e [0,1,0,1,0,0|0,0,2]=4 3423 B13R1.594 COC(=O)CCCOCCC1CC1 2150b8d8abc929fe46cc09637dc4be59 [0,1,0,1,0,0|0,0,2]=4 3424 B13R1.594 COC(=O)CCOCCCC1CC1 c9e3a5a792d067b7a7c385058af869a1 [0,1,0,1,0,0|0,0,2]=4 3425 B13R1.594 COC(=O)CNCCSCC1CC1 510f93e01316f273b9b547283f4007a5 [0,1,0,1,0,0|1,0,1]=4 3426 B13R1.594 COC(=O)COCCCNC1CC1 337d23fa67f9f28c1d3eceabdf13981f [0,1,0,1,0,0|1,0,1]=4 3427 B13R1.594 COC(=O)COCCCOC1CC1 d6f8dc5f5a395e363692b23e3d7d2a45 [0,1,0,1,0,0|1,0,1]=4 3428 B13R1.594 COC(=O)COCCCSC1CC1 0bd042a840b999735cb56e912a668d63 [0,1,0,1,0,0|1,0,1]=4 3429 B13R1.594 COC(=O)COCCNCC1CC1 7deb5e5fb6a695b5cc9dac2d26753270 [0,1,0,1,0,0|1,0,1]=4 3430 B13R1.594 COC(=O)COCCOCC1CC1 dec176cce398b758bf7be1cf8e922053 [0,1,0,1,0,0|1,0,1]=4 3431 B13R1.594 COC(=O)CSCCCNC1CC1 86f40339e5a8814a6f62c5aa9d73bca2 [0,1,0,1,0,0|1,0,1]=4 3432 B13R1.594 COC(=O)CSCCCOC1CC1 fe3a338045b5e949cc92e3004b405508 [0,1,0,1,0,0|1,0,1]=4 3433 B13R1.594 COC(=O)OCCOCCC1CC1 3ee156467d4cfd38680bd5d1ed5bb110 [0,1,0,1,0,0|1,0,1]=4 3434 B13R1.594 COC(=O)OCOCCCC1CC1 862bfb2750ae0732ae7a79ef1a4ff0ff [0,1,0,1,0,0|1,0,1]=4 3435 B13R1.598 COC(=O)CNC1CCCC1(C)C d00051557e8968df00938e080362f130 [0,1,0,1,0,0|1,0,1]=4 3436 B13R1.598 COC(=O)CNC1CCCC1(C)O 57a1dad1711e670dedb661331c42671d [0,1,0,1,0,0|1,0,1]=4 3437 B13R1.598 COC(=O)CN[C@@H]1CCC[C@@]1(C)O 4c4938dfe4267db5afba4a9404021f88 [0,1,0,1,0,0|1,0,1]=4 3438 B13R1.598 COC(=O)CN[C@H]1CCC[C@]1(C)O 6eed76edc5bd3846e0548e5014c73dce [0,1,0,1,0,0|1,0,1]=4 3439 B13R1.598 COC(=O)COC1CCCC1(C)C eaa5e891a18c78196137cda659c61fe5 [0,1,0,1,0,0|1,0,1]=4 3440 B13R1.598 COC(=O)CO[C@@H]1CCCC1(C)C 5d2448ed14182ee35f808b12d5ea6f15 [0,1,0,1,0,0|1,0,1]=4 3441 B13R1.598 COC(=O)CO[C@H]1CCCC1(C)C 410e750a7b3fe6f38caa478bb9695d5c [0,1,0,1,0,0|1,0,1]=4 3442 B13R1.2030 COC(=O)C#CCNC1CC1(C)C 48d3e7ece9d183d91711ccd8497a4b5a [0,1,0,1,0,0|1,0,0]=3 3443 B13R1.2030 COC(=O)C#CCNC1CC1(F)F 12051a9cfca6875894a57432adbd3015 [0,1,0,1,0,0|2,0,0]=4 3444 B13R1.2030 COC(=O)C#CCN[C@@H]1CC1(C)C b665ecbfb9b6183ca696e1532d1a8afb [0,1,0,1,0,0|1,0,0]=3 3445 B13R1.2030 COC(=O)C#CCN[C@H]1CC1(C)C 554b4d787c497bfb447bcab7f2e92acd [0,1,0,1,0,0|1,0,0]=3 3446 B13R1.2030 COC(=O)C#CCOC1CC1(C)C 8c60d70d9a44474f1abbf6f604b8c568 [0,1,0,1,0,0|1,0,0]=3 3447 B13R1.2030 COC(=O)C#CCOC1CC1(F)F f37f2b8c214ddc5da504f5667b395c47 [0,1,0,1,0,0|2,0,0]=4 3448 B13R1.2878 COC(=O)CN1CCCCC1(C)C f72dca2f1ac4a70b2d52dc1bc4da2b27 [0,1,0,1,0,0|1,0,1]=4 3449 B13R1.2880 COC(=O)CN1CCCC1C(C)C ffba85033b61ce0495cc87f50131be8f [0,1,0,1,0,0|1,0,1]=4 3450 B13R1.2880 COC(=O)CN1CCCC1C(C)O e1ebf604c556b1d527c6a425617d41ac [0,1,0,1,0,0|1,0,1]=4 3451 B13R1.2880 COC(=O)CN1CCC[C@@H]1C(C)O 1f3f68f2359594f753f553e461cb595c [0,1,0,1,0,0|1,0,1]=4 3452 B13R1.2880 COC(=O)CN1CCC[C@H]1C(C)C c8dec4c853158dc983ab518ff8a58099 [0,1,0,1,0,0|1,0,1]=4 3453 B13R1.2880 COC(=O)CN1CCC[C@H]1[C@H](C)O 376321d51fbc55b7c9e44e5bf2da72de [0,1,0,1,0,0|1,0,1]=4 3454 B13R1.9 CCCCCOC1CCC(=O)OC1 ab02a3b8886117a11c20363b388a403a [0,1,0,1,0,0|0,0,2]=4 3455 B13R1.27 CCCCCCOC1=CC(=O)OC1 bb89993c5fab45264d69cf78343d59e5 [0,1,0,1,0,0|0,0,2]=4 3456 B13R1.27 CCCCCCOC1COC(=O)C1 28f001e17e026a8f26cb22776dca6850 [0,1,0,1,0,0|0,0,2]=4 3457 B13R1.27 CCCCCCO[C@@H]1COC(=O)C1 ef02ca3377c2ce6110235c6ba2ad32c2 [0,1,0,1,0,0|0,0,2]=4 3458 B13R1.27 CCCCCCO[C@H]1COC(=O)C1 67a4c35050b2f4e5b32ede0ab001b277 [0,1,0,1,0,0|0,0,2]=4 3459 B13R1.27 CCCCCNCC1=CC(=O)OC1 3f17f3693c1106339e0e2fe916b461b5 [0,1,0,1,0,0|0,0,2]=4 3460 B13R1.27 CCCCCOCC1=CC(=O)OC1 a2fd347d36c55d729a24252391551c86 [0,1,0,1,0,0|0,0,2]=4 3461 B13R1.27 CCCCCOCC1COC(=O)C1 aac64858da10e92c4edc85963383dca6 [0,1,0,1,0,0|0,0,2]=4 3462 B13R1.91 CCC1CCCCN1CC(=O)OC ae57dc92552ff99169616955f8e95c37 [0,1,0,1,0,0|0,0,2]=4 3463 B13R1.91 CCC1COCCN1CC(=O)OC 0430235f0a609c89420ac27b816db3e5 [0,1,0,1,0,0|1,0,1]=4 3464 B13R1.91 CC[C@@H]1CCCCN1CC(=O)OC 50295193b9e1a7467a9f409f4aa6e127 [0,1,0,1,0,0|0,0,2]=4 3465 B13R1.91 CC[C@@H]1COCCN1CC(=O)OC 7494ccbc623dc8404e71c4105d2d35f1 [0,1,0,1,0,0|1,0,1]=4 3466 B13R1.91 CC[C@H]1CCCCN1CC(=O)OC 86af25905e294271b35d9d8e318ef66e [0,1,0,1,0,0|0,0,2]=4 3467 B13R1.91 CC[C@H]1COCCN1CC(=O)OC 9d286a2ccc425df40725583d25c8eedc [0,1,0,1,0,0|1,0,1]=4 3468 B13R1.91 COC(=O)CN1CCCCC1CO 3f3bb7c54f0d1fb0d9d413ec3a7c86b7 [0,1,0,1,0,0|1,0,1]=4 3469 B13R1.91 COC(=O)CN1CCCC[C@@H]1CO b10393410a48d8b2d1bfc3348315272e [0,1,0,1,0,0|1,0,1]=4 3470 B13R1.91 COC(=O)CN1CCCC[C@H]1CO 69ea30c085d8968621c82514d2ded199 [0,1,0,1,0,0|1,0,1]=4 3471 B13R1.382 CCCN1CCCCC1C(=O)OC 57da4972a3c6bb5de03a167eb01093c2 [0,1,0,1,0,0|0,0,2]=4 3472 B13R1.382 CCCN1CCCC[C@@H]1C(=O)OC af1a7095de62bd38f315bfd4db0a3830 [0,1,0,1,0,0|0,0,2]=4 3473 B13R1.382 CCCN1CCCC[C@H]1C(=O)OC 5dc4ad3027270df3149b31972b670bae [0,1,0,1,0,0|0,0,2]=4 3474 B13R1.382 CCOC1CCCCC1C(=O)OC 8bab1cde308d1c58b828fe2a95f6874d [0,1,0,1,0,0|0,0,2]=4 3475 B13R1.382 CCO[C@@H]1CCCC[C@@H]1C(=O)OC 53802cfd617871f8476bdf431dfd8d1f [0,1,0,1,0,0|0,0,2]=4 3476 B13R1.382 CCO[C@H]1CCCC[C@H]1C(=O)OC fd26ef6f320a1df73a0891bc958df153 [0,1,0,1,0,0|0,0,2]=4 3477 B13R1.393 CCCC1SCCN1CC(=O)OC 4d90a5983834c40b6bd43205b9811396 [0,1,0,1,0,0|1,0,1]=4 3478 B13R1.393 COC(=O)CN1CCCC1CCO b3b2737dad886b558bed6066e5345274 [0,1,0,1,0,0|1,0,1]=4 3479 B13R1.393 COC(=O)CN1CCCC1CSC 6dc14a20d2b480e321ec9848fd1a2f1d [0,1,0,1,0,0|1,0,1]=4 3480 B13R1.393 COC(=O)CN1CCC[C@@H]1CCO 31097fb0e1c41ccb71301c6c66467f52 [0,1,0,1,0,0|1,0,1]=4 3481 B13R1.393 COCC1CCCN1CC(=O)OC 98ad8c75c5e9edec161014a77c13b637 [0,1,0,1,0,0|1,0,1]=4 3482 B13R1.393 COC[C@@H]1CCCN1CC(=O)OC e3d9e50655a8607a9586ec654e92d582 [0,1,0,1,0,0|1,0,1]=4 3483 B13R1.393 COC[C@H]1CCCN1CC(=O)OC 9ccd3a2e84f27ad465806c4bb8de75ad [0,1,0,1,0,0|1,0,1]=4 3484 B13R1.536 COC(=O)/C=C/CNC1CCCC1 0845a4efc7d0b424c8dcf16178e3ef0f [0,1,0,1,0,0|0,0,2]=4 3485 B13R1.536 COC(=O)/C=C/COC1CCCC1 6c56ba3e21eeb4efedb35abe91899577 [0,1,0,1,0,0|0,0,2]=4 3486 B13R1.536 COC(=O)/C=C\CNC1CCCC1 a71aa3e9c99adfdb1570ac041107816a [0,1,0,1,0,0|0,0,2]=4 3487 B13R1.536 COC(=O)/C=C\COC1CCCC1 0a91da623f8d3f7a16adc81ec17b38d3 [0,1,0,1,0,0|0,0,2]=4 3488 B13R1.536 COC(=O)C#CCNC1CC=CC1 c3cc236b276b50fcd363d410d8a21149 [0,1,0,1,0,0|0,0,2]=4 3489 B13R1.536 COC(=O)C#CCNC1CCCC1 03c4c0cbb8210e1cd457a85c402ae3c4 [0,1,0,1,0,0|0,0,0]=2 3490 B13R1.536 COC(=O)C#CCNC1CCOC1 6ad38a3bb2a37eea8c9a2d5efdbe0796 [0,1,0,1,0,0|1,0,0]=3 3491 B13R1.536 COC(=O)C#CCNC1CCSC1 62a179eab7c08cd7d026b471e6eb15ca [0,1,0,1,0,0|1,0,0]=3 3492 B13R1.536 COC(=O)C#CCN[C@@H]1CCOC1 8de6503878986f8c4a0f68e9a17dd43b [0,1,0,1,0,0|1,0,0]=3 3493 B13R1.536 COC(=O)C#CCN[C@H]1CCOC1 546f4e2394f8161609ef195f079ed8a4 [0,1,0,1,0,0|1,0,0]=3 3494 B13R1.536 COC(=O)C#CCOC1C=CCC1 0243b18e9304389d68a2d4dbe1f89ff8 [0,1,0,1,0,0|0,0,2]=4 3495 B13R1.536 COC(=O)C#CCOC1CC=CC1 089dbba6e534273de9d5608e1b3018be [0,1,0,1,0,0|0,0,2]=4 3496 B13R1.536 COC(=O)C#CCOC1CCCC1 23beb2a5ccf26f9daff0a4eb46e2b60e [0,1,0,1,0,0|0,0,0]=2 3497 B13R1.536 COC(=O)C#CCOC1CCCO1 b4b57b90ddab43d49602db692b990097 [0,1,0,1,0,0|1,0,0]=3 3498 B13R1.536 COC(=O)C#CCOC1CCOC1 8e1278d86df709a310dc363728ea0e23 [0,1,0,1,0,0|1,0,0]=3 3499 B13R1.536 COC(=O)C#CCOC1CCSC1 fafa04d2d34916fe4cb6ccb08a458df3 [0,1,0,1,0,0|1,0,0]=3 3500 B13R1.536 COC(=O)C#CCO[C@@H]1CCOC1 799919500bf972693a866b7c481767b1 [0,1,0,1,0,0|1,0,0]=3 3501 B13R1.536 COC(=O)C#CCO[C@@H]1CCSC1 b6183dcb30fc2e7dbda3134bf98b4206 [0,1,0,1,0,0|1,0,0]=3 3502 B13R1.536 COC(=O)C#CCO[C@H]1CCOC1 e60a0fee22b14425c7bc2e4aaab8811d [0,1,0,1,0,0|1,0,0]=3 3503 B13R1.536 COC(=O)C#CCO[C@H]1CCSC1 4db0a8665883ce420eb95f42b5d55f9b [0,1,0,1,0,0|1,0,0]=3 3504 B13R1.536 COC(=O)C=CCNC1CCCC1 d5ea2bfe70d44c8bd0d35760d76c30d6 [0,1,0,1,0,0|0,0,2]=4 3505 B13R1.536 COC(=O)C=CCOC1CCCC1 c494c9c6f69c13ed25db71efe8b07351 [0,1,0,1,0,0|0,0,2]=4 3506 B13R1.536 COC(=O)CCCNC1CCCC1 fb27b4f2cace7bcb75b18112e01b2f90 [0,1,0,1,0,0|0,0,2]=4 3507 B13R1.536 COC(=O)CCCOC1CCCC1 e281d07653fa6ff34a38dcfdd8729264 [0,1,0,1,0,0|0,0,2]=4 3508 B13R1.536 COC(=O)CCNCC1CCCC1 4ce0c551e9742886e1ddf2fb0ba881ec [0,1,0,1,0,0|0,0,2]=4 3509 B13R1.536 COC(=O)CCOCC1CCCC1 678ac4ada82616416b992d05fa3309a0 [0,1,0,1,0,0|0,0,2]=4 3510 B13R1.536 COC(=O)CNCCC1CCCC1 d704458319e121d6785c855931198dc9 [0,1,0,1,0,0|0,0,2]=4 3511 B13R1.536 COC(=O)CNCCC1CCCO1 daf775f62d5a9ce47c354d786303b617 [0,1,0,1,0,0|1,0,1]=4 3512 B13R1.536 COC(=O)CNCCC1CCOC1 66cee982110a605757a1f99173bb3782 [0,1,0,1,0,0|1,0,1]=4 3513 B13R1.536 COC(=O)CNCCN1CCCC1 07dc9545741bf8ce3b0bef3609dfc8cf [0,1,0,1,0,0|1,0,1]=4 3514 B13R1.536 COC(=O)COCCC1CCCC1 3d0325bdfaa6d6afbc7c793e9373cc4b [0,1,0,1,0,0|0,0,2]=4 3515 B13R1.536 COC(=O)COCCC1CCCO1 b47136842ef36247c1a34ebb89226889 [0,1,0,1,0,0|1,0,1]=4 3516 B13R1.536 COC(=O)COCCC1CCOC1 8b450fe2717102943c825abd6fe9421f [0,1,0,1,0,0|1,0,1]=4 3517 B13R1.536 COC(=O)COCCN1CCCC1 9ffef3789bd03a52b175d77d01eb053f [0,1,0,1,0,0|1,0,1]=4 3518 B13R1.536 COC(=O)OCCOC1CCCC1 8245b0eebfed04bf29305a216a53b9a5 [0,1,0,1,0,0|1,0,1]=4 3519 B13R1.536 COC(=O)OCNCC1CCCC1 d81bd9cc4820327f55216c82a8525d0f [0,1,0,1,0,0|1,0,1]=4 3520 B13R1.536 COC(=O)OCOCC1CCCC1 73e8bba55c9ac7ef8688d75d4f23f999 [0,1,0,1,0,0|1,0,1]=4 3521 B13R1.581 CCCCN1CCCC1C(=O)OC 41ad74a6b2ebd004cee9cb29c1fdbc55 [0,1,0,1,0,0|0,0,2]=4 3522 B13R1.581 CCCCN1CCC[C@H]1C(=O)OC 09845784ee32f48280d2f9f0c8ffd0c9 [0,1,0,1,0,0|0,0,2]=4 3523 B13R1.581 CCCOC1CCCC1C(=O)OC 96a9dd4470fbdaf225f929bf8c8135f3 [0,1,0,1,0,0|0,0,2]=4 3524 B13R1.581 CCCO[C@@H]1CCC[C@@H]1C(=O)OC aeb663282165300599b456f8517a5d88 [0,1,0,1,0,0|0,0,2]=4 3525 B13R1.581 CCCO[C@H]1CCC[C@H]1C(=O)OC f8ed28c2214ee3c191e071beaf3f2480 [0,1,0,1,0,0|0,0,2]=4 3526 B13R1.599 COC(=O)/C=C/CN1CCCC1C 27153468b1346b02c8c52ca72317043a [0,1,0,1,0,0|0,0,2]=4 3527 B13R1.599 COC(=O)/C=C/CN1CCC[C@@H]1C a226ce292dedf9757fdf2cf119266b5d [0,1,0,1,0,0|0,0,2]=4 3528 B13R1.599 COC(=O)/C=C/CN1CCC[C@H]1C 267fd311c96a9140351986881c488346 [0,1,0,1,0,0|0,0,2]=4 3529 B13R1.599 COC(=O)/C=C\CN1CCCC1C 621d7fbf7bbe1513e8ab4b87afba24f7 [0,1,0,1,0,0|0,0,2]=4 3530 B13R1.599 COC(=O)/C=C\CN1CCC[C@@H]1C 5194d661764ed02dc2937dd01d17a776 [0,1,0,1,0,0|0,0,2]=4 3531 B13R1.599 COC(=O)/C=C\CN1CCC[C@H]1C 362727aebe56850ee637fdc48caf26e3 [0,1,0,1,0,0|0,0,2]=4 3532 B13R1.599 COC(=O)C#CCN1CCCC1C f92e4d2636b62e21e9efe89c0e3b8cab [0,1,0,1,0,0|0,0,0]=2 3533 B13R1.599 COC(=O)C#CCN1CCCC1O f6e2c18be6d39d0359111823159f8b5a [0,1,0,1,0,0|1,0,0]=3 3534 B13R1.599 COC(=O)C#CCN1CCC[C@@H]1C 4302215e2252095b94eb2539c502cb29 [0,1,0,1,0,0|0,0,0]=2 3535 B13R1.599 COC(=O)C#CCN1CCC[C@H]1C 7830d02eddc20d0cdb2ef1fa63823e85 [0,1,0,1,0,0|0,0,0]=2 3536 B13R1.599 COC(=O)C#CCN1CCSC1C 811b024e81f1be64a6ec67c73061464c [0,1,0,1,0,0|1,0,0]=3 3537 B13R1.599 COC(=O)C=CCN1CCCC1C 609cb068503c2d40ab28500aee7bb9ed [0,1,0,1,0,0|0,0,2]=4 3538 B13R1.599 COC(=O)C=CCN1CCC[C@@H]1C 77bb1ee41c4e40ece805a31a9b7af5a1 [0,1,0,1,0,0|0,0,2]=4 3539 B13R1.599 COC(=O)C=CCN1CCC[C@H]1C cc58bde4d5e436ac9c37b45728adda16 [0,1,0,1,0,0|0,0,2]=4 3540 B13R1.599 COC(=O)CCCN1CCCC1C 8923dbbe6e6f4f83d40ba925f6d96f4a [0,1,0,1,0,0|0,0,2]=4 3541 B13R1.599 COC(=O)CCCN1CCC[C@@H]1C 9e6bb7cbff94612aaf0e4e7e1b878d8f [0,1,0,1,0,0|0,0,2]=4 3542 B13R1.599 COC(=O)CCCN1CCC[C@H]1C 97f711021ba6357113fec4bf95f9cc38 [0,1,0,1,0,0|0,0,2]=4 3543 B13R1.599 COC(=O)CCOC1CCCC1C ac0f6a82465a2f065e758dea74dace93 [0,1,0,1,0,0|0,0,2]=4 3544 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@@H]1C 733d850ae6e6fd6f10785100917c64fb [0,1,0,1,0,0|0,0,2]=4 3545 B13R1.599 COC(=O)CCO[C@@H]1CCC[C@H]1C 3cd5b3692d1af1ec691c4280fdd446b2 [0,1,0,1,0,0|0,0,2]=4 3546 B13R1.599 COC(=O)CCO[C@H]1CCC[C@@H]1C 385fe32493dd548fa34e00c4b5b06e3c [0,1,0,1,0,0|0,0,2]=4 3547 B13R1.599 COC(=O)CCO[C@H]1CCC[C@H]1C 9e2de0df491cb29c84d9780c400e1eb3 [0,1,0,1,0,0|0,0,2]=4 3548 B13R1.599 COC(=O)CNCC1CCCC1O c9691389a00b65eb59ba883a1aa41dd0 [0,1,0,1,0,0|1,0,1]=4 3549 B13R1.599 COC(=O)CNCC1CCCN1C 4c63d0b2c8039df27cc973592438aabf [0,1,0,1,0,0|1,0,1]=4 3550 B13R1.599 COC(=O)CNCC1COCC1C da43e1d9e0e5ede6cdb3b58c71b9ac8d [0,1,0,1,0,0|1,0,1]=4 3551 B13R1.599 COC(=O)CNC[C@@H]1CCCN1C 5185add8a9168793b6d250b3566de5c6 [0,1,0,1,0,0|1,0,1]=4 3552 B13R1.599 COC(=O)CNC[C@H]1CCCN1C 2ce8ab6087ac88624b8d33da6a6b6378 [0,1,0,1,0,0|1,0,1]=4 3553 B13R1.599 COC(=O)COCC1CCCC1C 70ad2bbd60be6e36b77313f00ca53492 [0,1,0,1,0,0|0,0,2]=4 3554 B13R1.599 COC(=O)COCC1CCCN1C 268ed06859cdb37cfc04a8d38412d85c [0,1,0,1,0,0|1,0,1]=4 3555 B13R1.599 COC(=O)COCC1COCC1C 616f100debeb6ca597fb66126c841adf [0,1,0,1,0,0|1,0,1]=4 3556 B13R1.599 COC(=O)COCC1OCCC1C 9cc8e826968ea2ccc6d7a5d29a4d1973 [0,1,0,1,0,0|1,0,1]=4 3557 B13R1.599 COC(=O)COC[C@@H]1CCCN1C b67248b5747f703d48a64bbe0e2a1c79 [0,1,0,1,0,0|1,0,1]=4 3558 B13R1.599 COC(=O)COC[C@@H]1CCC[C@H]1F 0ded22be2fb5461b31f5fc02923a6f08 [0,1,0,1,0,0|1,0,1]=4 3559 B13R1.599 COC(=O)COC[C@@H]1CCO[C@@H]1C f7d98802846a11acf3a3ea499f243ce7 [0,1,0,1,0,0|1,0,1]=4 3560 B13R1.599 COC(=O)COC[C@H]1CCCN1C e3dfadaddf384a284a65237d0469fe39 [0,1,0,1,0,0|1,0,1]=4 3561 B13R1.599 COC(=O)OCOC1CCCC1C 84d04f96cb3b74efd61bf33e3b0533ba [0,1,0,1,0,0|1,0,1]=4 3562 B13R1.599 COC(=O)OCO[C@@H]1CCC[C@@H]1C c8a564e4de1396ec36d9af9175ce007a [0,1,0,1,0,0|1,0,1]=4 3563 B13R1.599 COC(=O)OCO[C@@H]1CCC[C@H]1C bbb356dd002ebf3f7a5cc248376918ca [0,1,0,1,0,0|1,0,1]=4 3564 B13R1.599 COC(=O)OCO[C@H]1CCC[C@@H]1C 66b29a320f82e438502d31879b43d84c [0,1,0,1,0,0|1,0,1]=4 3565 B13R1.599 COC(=O)OCO[C@H]1CCC[C@H]1C 7413da54c3620694cb4f388e9f1c1a37 [0,1,0,1,0,0|1,0,1]=4 3566 B13R1.613 CCC1CCCN1CCC(=O)OC 1f74c4aca5c637df90d0e9cb7b0a2dba [0,1,0,1,0,0|0,0,2]=4 3567 B13R1.613 CCC1CCCN1COC(=O)OC c37160bb396b7150868dd94128fe2c7f [0,1,0,1,0,0|1,0,1]=4 3568 B13R1.613 CC[C@@H]1CCCN1CCC(=O)OC e7e1abd0b66d4c02fae316c78f529997 [0,1,0,1,0,0|0,0,2]=4 3569 B13R1.613 CC[C@@H]1CCCN1COC(=O)OC 574f82b65ec1366e729cc04cd6a18bb4 [0,1,0,1,0,0|1,0,1]=4 3570 B13R1.613 CC[C@@H]1CCC[C@H]1NCC(=O)OC ad0530dd659de05ad088d83f1199789f [0,1,0,1,0,0|0,0,2]=4 3571 B13R1.613 COC(=O)CNC1CCCC1OC f794d19883b72b00f86a807feac0b31b [0,1,0,1,0,0|1,0,1]=4 3572 B13R1.613 COC(=O)CN[C@@H]1CCC[C@H]1OC f07c0216b00fe448c6e4fe299b50a374 [0,1,0,1,0,0|1,0,1]=4 3573 B13R1.613 COC(=O)CN[C@H]1CCC[C@@H]1OC 642ad4f1d88b5396a905c714c3501b30 [0,1,0,1,0,0|1,0,1]=4 3574 B13R1.613 COC(=O)CN[C@H]1CCC[C@H]1CO e9a8e3a4df2912077fbc1e4f98c0558c [0,1,0,1,0,0|1,0,1]=4 3575 B13R1.613 COC(=O)CN[C@H]1CCC[C@H]1OC ce7098292a7b6a1b85f00a1aa5692337 [0,1,0,1,0,0|1,0,1]=4 3576 B13R1.648 CCC1CCN1C/C=C/C(=O)OC ac4d72471c4b27748ec026f7aa775cf6 [0,1,0,1,0,0|0,0,2]=4 3577 B13R1.648 CCC1CCN1C/C=C\C(=O)OC 05d121382d8bad036c340c52df82b118 [0,1,0,1,0,0|0,0,2]=4 3578 B13R1.648 CCC1CCN1CC#CC(=O)OC 80e80b67e9dfbe097e27395b237952bd [0,1,0,1,0,0|0,0,0]=2 3579 B13R1.648 CCC1CCN1CC=CC(=O)OC 74415cef0145642f1123aa788b995d1b [0,1,0,1,0,0|0,0,2]=4 3580 B13R1.648 CCC1CCN1CCCC(=O)OC fadf8e1c70356f67fc82a4349682dfb5 [0,1,0,1,0,0|0,0,2]=4 3581 B13R1.648 COC(=O)C#CCN1CCC1CO 30d78221313e1d4e344601891e06965b [0,1,0,1,0,0|1,0,0]=3 3582 B13R1.648 COC(=O)C#CCN1CC[C@@H]1CO 53232eed1e34bf06e5ca4bcd016eff7b [0,1,0,1,0,0|1,0,0]=3 3583 B13R1.648 COC(=O)C#CCN1CC[C@H]1CO 5075725100f6baa2eba55a23b1ac65d1 [0,1,0,1,0,0|1,0,0]=3 3584 B13R1.648 COC(=O)COCC1CCC1OC 67d664bcb3a2fb697dc3e41c974c2d7f [0,1,0,1,0,0|1,0,1]=4 3585 B13R1.648 COC(=O)COC[C@@H]1CC[C@H]1OC 0321ef66617b951a114ad16996fc6aa3 [0,1,0,1,0,0|1,0,1]=4 3586 B13R1.648 COC(=O)COC[C@H]1CC[C@H]1OC 6e42269f8a89af44511e1daf9231d896 [0,1,0,1,0,0|1,0,1]=4 3587 B13R1.2855 CCCCCN1CC[C@@H]1C(=O)OC 78612711283312da191f533457c2c1bb [0,1,0,1,0,0|0,0,2]=4 3588 B13R1.2855 CCCOCC1CCC1C(=O)OC a0fbda492c9209f23ec1c4b58a3cde45 [0,1,0,1,0,0|0,0,2]=4 3589 B13R1.1699 COC(=O)C#CCN1C(CC1C)C 0bc4f5bbd5cd772e85546ca4b2a84d33 [0,1,0,1,0,0|1,0,0]=3 3590 B13R1.1699 COC(=O)C#CCN1[C@@H](C[C@@H]1C)C ad054ad99529c93b57635e4c53b1724d [0,1,0,1,0,0|1,0,0]=3 3591 B13R1.1699 COC(=O)C#CCN1[C@@H](C[C@H]1C)C a78784d738268e70da03501f1ac7322e [0,1,0,1,0,0|1,0,0]=3 3592 B13R1.1699 COC(=O)C#CCN1[C@H](C[C@@H]1C)C a570a8fbf375ea2a9eead312549d389d [0,1,0,1,0,0|1,0,0]=3 3593 B13R1.1734 COC(=O)C#CCOC(C)C1CC1 d5bc1cdef3eef82861169a1dd5295310 [0,1,0,1,0,0|1,0,0]=3 3594 B13R1.1734 COC(=O)C#CCO[C@@H](C)C1CC1 4c3eb3b930d598d53a6e8867a06e3284 [0,1,0,1,0,0|1,0,0]=3 3595 B13R1.1734 COC(=O)C#CCO[C@H](C)C1CC1 6808fc2b23a828c272315fb2a3055fed [0,1,0,1,0,0|1,0,0]=3 3596 B13R1.2031 COC(=O)C#CCNC1(CCC1)C 5ebe85857acdf8966c1456d67385eafb [0,1,0,1,0,0|1,0,0]=3 3597 B13R1.2031 COC(=O)C#CCNC1(COC1)C 6ee44cc8ed2eeefb1c64e872021ab113 [0,1,0,1,0,0|2,0,0]=4 3598 B13R1.2031 COC(=O)C#CCNC1(CSC1)C 30ed0b211ce7069fcb3d52ccdbf350bf [0,1,0,1,0,0|2,0,0]=4 3599 B13R1.2031 COC(=O)CNCCC1(CCC1)O 86346cfa09cd7a1030dec17b73dc8b4d [0,1,0,1,0,0|1,0,1]=4 3600 B13R1.2679 COC(=O)CN1CCC(CC1C)C 839b7b1164ac342ce6a6e9b5dc7a19c3 [0,1,0,1,0,0|1,0,1]=4 3601 B13R1.2679 COC(=O)CN1CCC(CC1C)O 945464f51bb23ef33e49d81249a7293a [0,1,0,1,0,0|1,0,1]=4 3602 B13R1.2679 COC(=O)CN1CC[C@@H](C[C@@H]1C)C 131b022a366f243968babf8908a51c43 [0,1,0,1,0,0|1,0,1]=4 3603 B13R1.2679 COC(=O)CN1CC[C@@H](C[C@H]1C)O 82cbfa7bb1419d4fa55e624886ee5b0c [0,1,0,1,0,0|1,0,1]=4 3604 B13R1.2679 COC(=O)CN1CC[C@H](C[C@H]1C)C 9f48177227dd75e2f038f7537397e7ec [0,1,0,1,0,0|1,0,1]=4 3605 B13R1.2679 COC(=O)CN1CC[C@H](C[C@H]1C)O 946b050d2e375666fd71f172eabd9245 [0,1,0,1,0,0|1,0,1]=4 3606 B13R2.1106 COC(=O)CN1C2CCC1CC2 76c6a28fea38efffe569ca33deb48f63 [0,0,0,2,0,0|1,0,1]=4 3607 B13R2.1106 COC(=O)CN1[C@H]2CC[C@@H]1CC2 b613cf32a0163905d10512a8156571ca [0,0,0,2,0,0|1,0,1]=4 3608 B13R2.1132 COC(=O)COC1CC2CC2C1 5cb84d9a086384b2b0b6813af0bc905d [0,0,0,2,0,0|1,0,1]=4 3609 B13R2.1132 COC(=O)COC1C[C@@H]2C[C@@H]2C1 842556fc9eb9feccb9a5a4da083e79e0 [0,0,0,2,0,0|1,0,1]=4 3610 B13R2.1132 COC(=O)CO[C@@H]1C[C@@H]2C[C@@H]2C1 3f734117f74e3dd76600a9f3f0b9472f [0,0,0,2,0,0|1,0,1]=4 3611 B13R2.1132 COC(=O)CO[C@H]1C[C@@H]2C[C@@H]2C1 2180c0c196f55841c1247939061ea10e [0,0,0,2,0,0|1,0,1]=4 3612 B13R2.1304 COC(=O)COC1CCC2C1C2 e47e52b1a07667f28ca92b14cf92cee9 [0,0,0,2,0,0|1,0,1]=4 3613 B13R2.1304 COC(=O)CO[C@@H]1CC[C@@H]2[C@H]1C2 39bd9154c69d0dfb26e0e8530cdc0614 [0,0,0,2,0,0|1,0,1]=4 3614 B13R2.15195 COC(=O)CN1C2C1CCCC2 cf1581cb83d5a0147f0f9eec08d17a54 [0,0,0,2,0,0|1,0,1]=4 3615 B13R2.6859 COC(=O)CN1CC2CCC1C2 0401a7a27f896ce098932ada8256bacb [0,0,0,2,0,0|1,0,1]=4 3616 B13R2.6859 COC(=O)CN1C[C@@H]2CC[C@H]1C2 2f69c7d6bfd5203630401a471d90cb11 [0,0,0,2,0,0|1,0,1]=4 3617 B13R2.6859 COC(=O)CN1C[C@H]2CC[C@@H]1C2 c155516376c6c19231e7e61dfe533693 [0,0,0,2,0,0|1,0,1]=4 3618 B13R2.15218 COC(=O)CNC1CC12CCC2 12643bac74228f153af54e815d6e816c [0,0,0,2,0,0|1,0,1]=4 3619 B13R2.15218 COC(=O)COC1CC12CCC2 c6fb4e6fa4f3350ac2ba050306d123a4 [0,0,0,2,0,0|1,0,1]=4 3620 B13R2.1197 COC(=O)CN1CC2C1CCC2 6dbc95dcc5e80c28cfd99c469234eb27 [0,0,0,2,0,0|1,0,1]=4 3621 B13R2.1197 COC(=O)CN1C[C@H]2[C@@H]1CCC2 ce6cebe5bc20118d0c59e15e3312674d [0,0,0,2,0,0|1,0,1]=4 3622 B13R2.1217 COC(=O)CN1CCC2CC2C1 763d04fdfe4fe204ba98923cde2dc81c [0,0,0,2,0,0|1,0,1]=4 3623 B13R2.1133 COC(=O)COC1CCC12CC2 605bd44ae63deff27113eb32ab3a7243 [0,0,0,2,0,0|1,0,1]=4 3624 B13R2.1311 COC(=O)CNCC1CC12CC2 164a56b62a37f95da149e7f28f632a25 [0,0,0,2,0,0|1,0,1]=4 3625 B13R2.1311 COC(=O)COCC1CC12CC2 6737d2ffab444d2b5f226a47100f9d49 [0,0,0,2,0,0|1,0,1]=4 3626 B13R2.1196 COC(=O)CN1CC2CCC2C1 104cfca8a19088f7beb8269a3718e16a [0,0,0,2,0,0|1,0,1]=4 3627 B13R2.1312 COC(=O)COCC12CCC1C2 e48e60361ecf56f164851937f06d130e [0,0,0,2,0,0|1,0,1]=4