0 B12R1.567 C#CCCOC1=C(CCC1=O)C 046f991c38c99272008cd9e164ec1f10 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.567 C#CCCOC1=C(COC1=O)C b11364ebfb9a12c597d9ffa5eb06d963 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.567 C#CCCOC1=C(OCC1=O)C ebe6e4a0c5f92a4cb26627485bc38f8d [0,0,0,0,0,0|2,0,2]=4 3 B12R1.567 C/C=C/COC1=C(CCC1=O)C 6aeee79bca11c92d3ba13bfcfef4dbc0 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.567 C/C=C/COC1=C(COC1=O)C a8913837ab5532bde6df211ba1b3d4dc [0,0,0,0,0,0|2,0,2]=4 5 B12R1.567 C/C=C/COC1=C(OCC1=O)C 9db69ce1f63c4d7c27d0df14008cbc3f [0,0,0,0,0,0|2,0,2]=4 6 B12R1.567 C/C=C\COC1=C(CCC1=O)C 3e0a4878a9df1a1c7bec8cd2d4a11334 [0,0,0,0,0,0|1,0,2]=3 7 B12R1.567 C/C=C\COC1=C(COC1=O)C 4612a8456c08b94221d5f9ce38c6c35f [0,0,0,0,0,0|2,0,2]=4 8 B12R1.567 C/C=C\COC1=C(OCC1=O)C f812cc6d68afb4a9cff1679e44f2084a [0,0,0,0,0,0|2,0,2]=4 9 B12R1.567 C=CCCOC1=C(CCC1=O)C ad80a172e279b4fd153a5e1232ea1464 [0,0,0,0,0,0|1,0,2]=3 10 B12R1.567 C=CCCOC1=C(COC1=O)C 7647f53469a140b19a17f11bd8af4b73 [0,0,0,0,0,0|2,0,2]=4 11 B12R1.567 C=CCCOC1=C(OCC1=O)C 78dd77201a6548b55608890d82f463bf [0,0,0,0,0,0|2,0,2]=4 12 B12R1.567 CC1=C(C(=O)CC1)OC/C=C/Cl 66c5effafc4c263e4b58f5a2cd012dc7 [0,0,0,0,0,0|2,0,2]=4 13 B12R1.567 CC1=C(C(=O)CC1)OC/C=C\Cl 82c44ef1cc2662e6684f5130cd0d4903 [0,0,0,0,0,0|2,0,2]=4 14 B12R1.567 CC1=C(C(=O)CC1)OCCC#N d47cadf31b166ef1b163ed4960b5c859 [0,0,0,0,0,0|2,0,1]=3 15 B12R1.567 CC1=C(C(=O)CC1)OCCC=O 8baad5c803e57717e0f668e9738d119c [0,0,0,0,0,0|2,0,1]=3 16 B12R1.567 CC1=C(C(=O)CC1)OCCCF cea5a1b5db01e490907c6fde71d3faba [0,0,0,0,0,0|2,0,0]=2 17 B12R1.567 CC1=C(C(=O)CC1)OCCCS 832d47da15f8bdca8582c0e5c1a529a1 [0,0,0,0,0,0|2,0,0]=2 18 B12R1.567 CC1=C(C(=O)CC1)OCSC#N 51931e4111168915a2dfe50c3bc25724 [0,0,0,0,0,0|3,0,1]=4 19 B12R1.567 CC1=C(C(=O)CO1)OCCC#N c376c5a2f768bd6944a878bcb9ba8fd5 [0,0,0,0,0,0|3,0,1]=4 20 B12R1.567 CC1=C(C(=O)CO1)OCCC=O 6db6512a3d271cf8a024c653acba403a [0,0,0,0,0,0|3,0,1]=4 21 B12R1.567 CC1=C(C(=O)CO1)OCCCF a5a61e4bfdb8a03284d121d5ec7c1aa9 [0,0,0,0,0,0|3,0,0]=3 22 B12R1.567 CC1=C(C(=O)CO1)OCCCS 0de46d8a696769758d50ca6c9355f4f1 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.567 CC1=C(C(=O)OC1)OCCC#N 9d914912edafcdcd5bd6dee602a61306 [0,0,0,0,0,0|3,0,1]=4 24 B12R1.567 CC1=C(C(=O)OC1)OCCC=O a2fbb2e41387fea0b16674ca30765f70 [0,0,0,0,0,0|3,0,1]=4 25 B12R1.567 CC1=C(C(=O)OC1)OCCCF a397fdae1734df38d93a6c5aee22a578 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.567 CC1=C(C(=O)OC1)OCCCS 0b5d506c380416dc5de71ced008e4a64 [0,0,0,0,0,0|3,0,0]=3 27 B12R1.567 CCCCCN1C(CCC1C)C be315301e55181f43c402b6138665a48 [0,0,0,0,0,0|2,0,2]=4 28 B12R1.567 CCCCCN1[C@@H](CC[C@@H]1C)C 73a3edfea34e67b77f8e687686d8a454 [0,0,0,0,0,0|2,0,2]=4 29 B12R1.567 CCCCCN1[C@@H](CC[C@H]1C)C 21fed27083e4c5a46afce8af9741241e [0,0,0,0,0,0|2,0,2]=4 30 B12R1.567 CCCCCN1[C@H](CC[C@@H]1C)C 9340304283ab61090c985c0af5a74560 [0,0,0,0,0,0|2,0,2]=4 31 B12R1.567 CCCCNc1c(n[nH]c1C)C a7a6ba4a5b7da2cd726b03835b0feb4d [0,0,0,0,0,0|4,0,0]=4 32 B12R1.567 CCCCNc1c(n[nH]c1Cl)C a460f497ee6c28b849e047caa1a31a54 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.567 CCCCNc1c(noc1C)C 83f3b44820ede30d35dd426d3498ddb2 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.567 CCCCOC1=C(CCC1=O)C 1857de2b4afba9ed3feabdd926481b76 [0,0,0,0,0,0|1,0,0]=1 35 B12R1.567 CCCCOC1=C(COC1=O)C c62fa854eef2d6277e592ceab51526e4 [0,0,0,0,0,0|2,0,0]=2 36 B12R1.567 CCCCOC1=C(OCC1=O)C da421e3701c2a0ff7de376d450e9b960 [0,0,0,0,0,0|2,0,0]=2 37 B12R1.567 CCCCOc1c(n[nH]c1C)C 6b6b2a79601b5c65321e93a9f2972b57 [0,0,0,0,0,0|4,0,0]=4 38 B12R1.567 CCCCOc1c(noc1C)C 9066623f5242384d9cac1ffd69f29749 [0,0,0,0,0,0|4,0,0]=4 39 B12R1.567 CCCNCc1c(noc1C)C 7b8c2e26b456c4b84eb56e5216fcac04 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.567 CCCOC=C1C(=O)CCC1=O aee9a31d6708c90378979768ef7a15d4 [0,0,0,0,0,0|2,0,1]=3 41 B12R1.567 CCCOCN1C(=O)CCC1=O a9a234a7c78c0d79c910955f42172569 [0,0,0,0,0,0|3,0,0]=3 42 B12R1.567 CCCOCc1c(n[nH]c1C)C 6158fe4ac7b3285c9dc126095f86d278 [0,0,0,0,0,0|4,0,0]=4 43 B12R1.567 CCCOCc1c(noc1C)Br bf5f89c7dda626669b520c400e1adf27 [0,0,0,0,0,0|4,0,0]=4 44 B12R1.567 CCCOCc1c(noc1C)C 53499ea647592cc9ae59b8d6e6022324 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.567 CCCOCc1c(nsc1C)C 2ab2666c453e22f357830d7466386490 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.567 CCNCCN1C(=O)CSC1=O 4c288320bc73eee034f88f87f2a276f7 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.567 CCNCCc1c([nH][nH]c1=O)C 3b5aba9efa0cfb01527df31ee5dd9f06 [0,0,0,0,0,0|3,0,0]=3 48 B12R1.567 CCNCCc1c(n[nH]c1C)C c91933bdd1ec0c792bf0a27d90105a59 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.567 CCNCCc1c(noc1C)C 8bfad6a1433a3dd45752736840b022b4 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.567 CCOCCN1C(=O)CCC1=O 3a2f4298f48406d1933c744c0a8e78b2 [0,0,0,0,0,0|3,0,0]=3 51 B12R1.567 CCOCCN1C(=O)CSC1=O 204a3139fc0e6086a519a6c7e695cbb8 [0,0,0,0,0,0|4,0,0]=4 52 B12R1.567 CCOCCc1c([nH][nH]c1=O)C ee4694f0ab4eedb23b2f8bf419e16bfe [0,0,0,0,0,0|3,0,0]=3 53 B12R1.567 CCOCCc1c(n[nH]c1C)C 833828ca038cd89b51dba9da32fed537 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.567 CCOCCc1c(noc1C)C ee265aa0e79250e79b7dd2902b419d5c [0,0,0,0,0,0|4,0,0]=4 55 B12R1.567 CCOCOC1=C(CCC1=O)C 48c08428e07510399682dbf5d59e9d52 [0,0,0,0,0,0|2,0,0]=2 56 B12R1.567 CCOCOC1=C(OCC1=O)C 2c59772592fa4d27642b1cfb885792f2 [0,0,0,0,0,0|3,0,0]=3 57 B12R1.567 COCCNc1c([nH][nH]c1=O)C 5f494fa31d16c75c9d61a98732f03183 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.567 COCCOC1=C(CCC1=O)C 45e3aa6e7578e5db5a033294dfc4ff0b [0,0,0,0,0,0|2,0,0]=2 59 B12R1.567 COCCOC1=C(COC1=O)C 9f0255f8deea14bd17d36b69f17b97ee [0,0,0,0,0,0|3,0,0]=3 60 B12R1.567 COCCOC1=C(OCC1=O)C add7b8924ac43e5e09c3e38f089f1d76 [0,0,0,0,0,0|3,0,0]=3 61 B12R1.567 COCOC=C1C(=O)CCC1=O 91a9454fa30a432107ca5bdf82384888 [0,0,0,0,0,0|3,0,1]=4 62 B12R1.567 COCOCN1C(=O)CCC1=O c562648b0be354c0099a93a2c61df8fb [0,0,0,0,0,0|4,0,0]=4 63 B12R1.567 CSCCNC1C(=O)CCC1=O 0eb70e7105968f58bb5cea1076dd6246 [0,0,0,0,0,0|3,0,1]=4 64 B12R1.567 CSCCOC1=C(CCC1=O)C 281e79f83972a4173d11ffc700f7c2f8 [0,0,0,0,0,0|2,0,0]=2 65 B12R1.567 CSCCOC1=C(COC1=O)C c2d672e4df4f9688a31fa898bfa91641 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.567 CSCCOC1=C(OCC1=O)C be3724063a17dd3d51e0f1e8f72be39f [0,0,0,0,0,0|3,0,0]=3 67 B12R1.567 CSCCOC1C(=O)CCC1=O 6e7996896944707546c0744d0671404c [0,0,0,0,0,0|3,0,1]=4 68 B12R1.567 CSCOC=C1C(=O)CCC1=O a1ead174cc998ab06782e087f008faa5 [0,0,0,0,0,0|3,0,1]=4 69 B12R1.567 CSCOCN1C(=O)CCC1=O 2d85267718a0974139bbc7d46e5ecb0d [0,0,0,0,0,0|4,0,0]=4 70 B12R1.567 Cc1[nH][nH]c(=O)c1CCNCF 91a2349318dbddd3eff1dccfab08c478 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.567 Cc1[nH][nH]c(=O)c1CCNCO 99e9570a801f3ca1e9c748f4f5e86fb2 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.567 Cc1[nH][nH]c(=O)c1CCOCF fbb203518b26c2f2c3545cae2f43c151 [0,0,0,0,0,0|4,0,0]=4 73 B12R1.567 O=C1CCC(=O)C1=COCCF f9469c1615044e7f30cc2f278b4c5ad2 [0,0,0,0,0,0|3,0,1]=4 74 B12R1.567 O=C1CCC(=O)C1=COCCS 68a5e2a9ec2dd2dee609fb492209c6aa [0,0,0,0,0,0|3,0,1]=4 75 B12R1.567 O=C1CCC(=O)C1NCCCCl 130d697abbb1c297819eb56b1bc48551 [0,0,0,0,0,0|3,0,1]=4 76 B12R1.567 O=C1CCC(=O)C1NCCCO 09f353e0d106993c48c1fff655270d9c [0,0,0,0,0,0|3,0,1]=4 77 B12R1.567 O=C1CCC(=O)C1OCCCF 417cc3917d4e5df6367bda2e220bfa1b [0,0,0,0,0,0|3,0,1]=4 78 B12R1.567 O=C1CCC(=O)N1CCOCF 14574a41f95e0c0cabc820eee40dd547 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.567 O=C1CCC(=O)N1COCCF 09fa32f3b4704312a8a3b1c28b6f0c39 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.567 O=C1CCC(=O)N1COCCS 239fdd8ea81eb4c5de0d94c79a459018 [0,0,0,0,0,0|4,0,0]=4 81 B11R1.180 C#CCCOC1=CCCC1=O cef34ec8d2b4a7a24ec78260ec4ad795 [1,0,0,0,0,0|1,0,2]=4 82 B11R1.180 C#CCOCC1=CCCC1=O 907fdf21085ded86e91eb3db93e273a1 [1,0,0,0,0,0|1,0,2]=4 83 B11R1.180 C/C=C/COC1=CCCC1=O cdc8031d0c2d1043a731af735965cb4f [1,0,0,0,0,0|1,0,2]=4 84 B11R1.180 C/C=C\COC1=CCCC1=O d774cec9a84630c0c53611acc181e296 [1,0,0,0,0,0|1,0,2]=4 85 B11R1.180 C=CCCOC1=CCCC1=O f41a864f0ccceb95d76601a85ab5d9f9 [1,0,0,0,0,0|1,0,2]=4 86 B11R1.180 C=CCOCC1=CCCC1=O 5d82099204eeb296200327c434b580be [1,0,0,0,0,0|1,0,2]=4 87 B11R1.180 CCCCCN1CCCC1C 07fc8cec62763b016fc411bb35abd56c [1,0,0,0,0,0|1,0,2]=4 88 B11R1.180 CCCCCN1CCC[C@@H]1C db1500b86215c83121a9d926faa49684 [1,0,0,0,0,0|1,0,2]=4 89 B11R1.180 CCCCCN1CCC[C@H]1C 1fbacd4c0d5aee021f8867b6cfe55a36 [1,0,0,0,0,0|1,0,2]=4 90 B11R1.180 CCCCNC1CCCC1=O 39f9ee5b59b883e97393975a970e10d4 [1,0,0,0,0,0|1,0,2]=4 91 B11R1.180 CCCCNc1c[nH]nc1C 7ba866d779bf74527404416d30183b5b [1,0,0,0,0,0|3,0,0]=4 92 B11R1.180 CCCCNc1ccsc1C 4b33baa6cbbf646d868e98b53b0470a5 [1,0,0,0,0,0|2,0,1]=4 93 B11R1.180 CCCCNc1cnoc1C 06e1e007241ba9f44cae98a7dd8c0607 [1,0,0,0,0,0|3,0,0]=4 94 B11R1.180 CCCCNc1conc1C d01012fdbc395cb97b7a5a509c81d146 [1,0,0,0,0,0|3,0,0]=4 95 B11R1.180 CCCCNc1cscc1C 5c336951b5fdc8b35a2bf4f94bff34c9 [1,0,0,0,0,0|2,0,1]=4 96 B11R1.180 CCCCNc1csnc1C a71b8f19381ae2f86a3a73f8b33685a4 [1,0,0,0,0,0|3,0,0]=4 97 B11R1.180 CCCCOC1=CCCC1=O 6b420cb525b655e18770337b40a14027 [1,0,0,0,0,0|1,0,0]=2 98 B11R1.180 CCCCOC1CCCC1=O daa71a749c8ab0736df54ca1e1a12aa6 [1,0,0,0,0,0|1,0,2]=4 99 B11R1.180 CCCCOc1cn[nH]c1C cbc563a5e634dd456a93ddf84cf678da [1,0,0,0,0,0|3,0,0]=4 100 B11R1.180 CCCNCN1CCCC1=O 91887f1bd955350d83fb5cbd80ecb1f5 [1,0,0,0,0,0|2,0,1]=4 101 B11R1.180 CCCNCc1ccoc1C 9b7aca05722c487e12991f3dd96e11a5 [1,0,0,0,0,0|2,0,1]=4 102 B11R1.180 CCCNCc1cn[nH]c1C 6dc461c5ec27ff0bdf81ba5770cb4bb2 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.180 CCCNCc1cnoc1C 79bde8d385cc22817cef55cc6423fffa [1,0,0,0,0,0|3,0,0]=4 104 B11R1.180 CCCNCc1conc1C 2e4139fa527bca6eae4f45fd4112dd60 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.180 CCCOCC1=CCCC1=O 08399b9b19d3cb72be765f40d7a631c2 [1,0,0,0,0,0|1,0,0]=2 106 B11R1.180 CCCOCC1CCCC1=O 38a6f11d54d34dd53e14f1182522173f [1,0,0,0,0,0|1,0,2]=4 107 B11R1.180 CCCOCN1CCCC1=O f219657cc4d06050eaec73ad23ed676b [1,0,0,0,0,0|2,0,1]=4 108 B11R1.180 CCCOCc1c[nH]nc1C 13ecc368c1e41c6eb26effbab4e16c1a [1,0,0,0,0,0|3,0,0]=4 109 B11R1.180 CCCOCc1ccoc1C b1737bdc651811f3eec4c295512263cc [1,0,0,0,0,0|2,0,1]=4 110 B11R1.180 CCCOCc1cnoc1C 08219f3eaef3ef2eab702e1be1dbf4f2 [1,0,0,0,0,0|3,0,0]=4 111 B11R1.180 CCCOCc1cscc1C 0f70923c664481648ce69b60291255fb [1,0,0,0,0,0|2,0,1]=4 112 B11R1.180 CCNCCN1CCCC1=O 36a7b721f69f8b18b7bc5858c5b90e81 [1,0,0,0,0,0|2,0,1]=4 113 B11R1.180 CCOCCN1CCCC1=O eec83e50d5d1cf07c9841640aebd1ba4 [1,0,0,0,0,0|2,0,1]=4 114 B11R1.180 CCOCOC1=CCCC1=O cf6e2dcfe758b833b17b4cb843b7e0d1 [1,0,0,0,0,0|2,0,0]=3 115 B11R1.180 COCCOC1=CCCC1=O b30960e63e71ac42bc2025e2d1f25f49 [1,0,0,0,0,0|2,0,0]=3 116 B11R1.180 COCOCC1=CCCC1=O 4a84475a6a4c42120bdd54f8e6fe927b [1,0,0,0,0,0|2,0,0]=3 117 B11R1.180 CSCCOC1=CCCC1=O eb9bce98a4096cb74b46ba08dc02a6b4 [1,0,0,0,0,0|2,0,0]=3 118 B11R1.180 CSCOCC1=CCCC1=O 368b5be07d88944a95431d2f4e07d432 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.180 N#CCCOC1=CCCC1=O 5cfacd29be9e3bd6e0b5f8721d886184 [1,0,0,0,0,0|2,0,1]=4 120 B11R1.180 N#CCOCC1=CCCC1=O 1223cbeb805a6825dd1a5573d43bbadd [1,0,0,0,0,0|2,0,1]=4 121 B11R1.180 O=C1CCC=C1COCCF 6fce4bc42f812e049a5958d10c75bb1f [1,0,0,0,0,0|2,0,0]=3 122 B11R1.180 O=C1CCC=C1COCCS 5b16b8ce9500a9580ed52dfb34bd3a8e [1,0,0,0,0,0|2,0,0]=3 123 B11R1.180 O=C1CCC=C1OCCCF 9311ebc650aee3041ca34fcb2762ce6a [1,0,0,0,0,0|2,0,0]=3 124 B11R1.180 O=C1CCC=C1OCCCS cda3ac6d41d9a27bc55d5b04b6b5fc9a [1,0,0,0,0,0|2,0,0]=3 125 B11R1.180 O=CCCOC1=CCCC1=O 9496c1c39725006363034fd317cda7da [1,0,0,0,0,0|2,0,1]=4 126 B11R1.180 O=CCOCC1=CCCC1=O 17fc29bb3c0016c54f61bd05603c1948 [1,0,0,0,0,0|2,0,1]=4 127 B11R1.465 C#CCOC1=C(CCC1=O)C d883246280b6832b6174c5ae54f4fde3 [1,0,0,0,0,0|1,0,2]=4 128 B11R1.465 C=CCOC1=C(CCC1=O)C e92f48cf601091906076c4a42b6c2345 [1,0,0,0,0,0|1,0,2]=4 129 B11R1.465 CC1=C(C(=O)CC1)OCC#N beacc2d7a2277d8847975938db759a21 [1,0,0,0,0,0|2,0,1]=4 130 B11R1.465 CC1=C(C(=O)CC1)OCC=O 4933ffa9436d449d772e34ac2016af86 [1,0,0,0,0,0|2,0,1]=4 131 B11R1.465 CC1=C(C(=O)CC1)OCCF 99f4ed6569dd7586ace65bb2488b3c80 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.465 CC1=C(C(=O)CC1)OCCS 7fb4f8dbe4b96d8587f8310f8da0490c [1,0,0,0,0,0|2,0,0]=3 133 B11R1.465 CC1=C(C(=O)CO1)OCCF 020730335b637371f2236f01fd33a927 [1,0,0,0,0,0|3,0,0]=4 134 B11R1.465 CC1=C(C(=O)CO1)OCCS fb1d67e4660f7f239c5565e6812f9c00 [1,0,0,0,0,0|3,0,0]=4 135 B11R1.465 CC1=C(C(=O)OC1)OCCS f596c5101cdf58cddb81953c3f32f6b2 [1,0,0,0,0,0|3,0,0]=4 136 B11R1.465 CCCNC1C(=O)CCC1=O cbd496314e8696ca1c69d92e4d3bad86 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.465 CCCOC1=C(CCC1=O)C 343adbdaa8ad4b9c7d00e4b83ec30fc3 [1,0,0,0,0,0|1,0,0]=2 138 B11R1.465 CCCOC1=C(COC1=O)C f168f1c97da0e398a09606a2464dbb9b [1,0,0,0,0,0|2,0,0]=3 139 B11R1.465 CCCOC1=C(OCC1=O)C 331405f9365f304f12472c39d9bd19e6 [1,0,0,0,0,0|2,0,0]=3 140 B11R1.465 CCCOC1C(=O)CCC1=O 49def26cc5da55f3c16208188523d988 [1,0,0,0,0,0|2,0,1]=4 141 B11R1.465 CCOC=C1C(=O)CCC1=O c1056171cc794a378026ccf65ed9c94e [1,0,0,0,0,0|2,0,1]=4 142 B11R1.465 CCOCN1C(=O)CCC1=O c4fae9bfa68c1408901588c7ae4cb34f [1,0,0,0,0,0|3,0,0]=4 143 B11R1.465 COCOC1=C(CCC1=O)C 18eb33261674239cc81cb6b448e70b6b [1,0,0,0,0,0|2,0,0]=3 144 B11R1.465 COCOC1=C(COC1=O)C a51f67ebcf33722178263e3c2eb42a38 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.465 COCOC1=C(OCC1=O)C d88cff7bbc7292b560234f5a304132dc [1,0,0,0,0,0|3,0,0]=4 146 B11R1.465 CSCOC1=C(CCC1=O)C 3568b7fb89f44790c9253bfe243231c4 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.465 CSCOC1=C(COC1=O)C 093f50b930636e0de62ea645fadc41eb [1,0,0,0,0,0|3,0,0]=4 148 B11R1.465 CSCOC1=C(OCC1=O)C 3d71cecf31a41c49dab4fb3f735050d6 [1,0,0,0,0,0|3,0,0]=4 149 B13R1.1133 C#CCCCOC1=C(CCC1=O)C e55b034638b4db7a9590ca730c3c1706 [0,1,0,0,0,0|0,0,2]=3 150 B13R1.1133 C#CCCCOC1=C(COC1=O)C 195c37f75e33ea2e01cccbc2147865b5 [0,1,0,0,0,0|1,0,2]=4 151 B13R1.1133 C#CCCCOC1=C(OCC1=O)C 926ae0b6307150b0ee74c8a2aa5425c8 [0,1,0,0,0,0|1,0,2]=4 152 B13R1.1133 C=CCCCOC1=C(CCC1=O)C 7935c2d7dfe6a39785c45c35e852f493 [0,1,0,0,0,0|0,0,2]=3 153 B13R1.1133 C=CCCCOC1=C(COC1=O)C b19f531ef838f7eefe87c7a533f166ee [0,1,0,0,0,0|1,0,2]=4 154 B13R1.1133 C=CCCCOC1=C(OCC1=O)C b6b236552fc97e0eda9e6febbfb46f74 [0,1,0,0,0,0|1,0,2]=4 155 B13R1.1133 CC/C=C/COC1=C(CCC1=O)C d4c653806ae7a13420375d2035aa866b [0,1,0,0,0,0|0,0,2]=3 156 B13R1.1133 CC/C=C/COC1=C(COC1=O)C a9f1ffc2fb8401190f8f68a5c9843125 [0,1,0,0,0,0|1,0,2]=4 157 B13R1.1133 CC/C=C/COC1=C(OCC1=O)C 8c9a71a3d6157dc0d499ecd23b939c38 [0,1,0,0,0,0|1,0,2]=4 158 B13R1.1133 CC1=C(C(=O)CC1)OCCCC#N 50d4a3b26fa7d74d88b8ede164a32261 [0,1,0,0,0,0|1,0,1]=3 159 B13R1.1133 CC1=C(C(=O)CC1)OCCCC=O fb6950bec5fc85d8c3b6e46eaa533e84 [0,1,0,0,0,0|1,0,1]=3 160 B13R1.1133 CC1=C(C(=O)CC1)OCCCCF e09ffac32739677fbc44be6d94df6ecf [0,1,0,0,0,0|1,0,0]=2 161 B13R1.1133 CC1=C(C(=O)CO1)OCCCC#N 442d364983c5d054c4b9150e8cfab4a1 [0,1,0,0,0,0|2,0,1]=4 162 B13R1.1133 CC1=C(C(=O)CO1)OCCCC=O 2866361b5af67a8ed3d965f027fa3696 [0,1,0,0,0,0|2,0,1]=4 163 B13R1.1133 CC1=C(C(=O)CO1)OCCCCF d8475f2231c25a0cc76af549ad52a572 [0,1,0,0,0,0|2,0,0]=3 164 B13R1.1133 CC1=C(C(=O)OC1)OCCCC#N 1da1fb028ad8a19a986f356ec93cfc43 [0,1,0,0,0,0|2,0,1]=4 165 B13R1.1133 CC1=C(C(=O)OC1)OCCCC=O e2ab572993574bc7da4a4c4d87b4fda8 [0,1,0,0,0,0|2,0,1]=4 166 B13R1.1133 CCCCCNC1C(=O)CCC1=O a028714e8938b6e57287ed50b99d1be7 [0,1,0,0,0,0|1,0,1]=3 167 B13R1.1133 CCCCCNc1c(n[nH]c1C)C a398974b108e52fa666fa7fb679dbc3a [0,1,0,0,0,0|3,0,0]=4 168 B13R1.1133 CCCCCNc1c(n[nH]c1Cl)C 48e3d147abaea1d5df29e6a79873117c [0,1,0,0,0,0|3,0,0]=4 169 B13R1.1133 CCCCCNc1c(noc1C)C 006c079812f66bffa2f1f3d9683420d2 [0,1,0,0,0,0|3,0,0]=4 170 B13R1.1133 CCCCCOC1=C(CCC1=O)C 632741ce01b4a27442fb5d83bc2824c6 [0,1,0,0,0,0|0,0,0]=1 171 B13R1.1133 CCCCCOC1=C(OCC1=O)C d54abf9d340a1c74a00f06e91812d8c5 [0,1,0,0,0,0|1,0,0]=2 172 B13R1.1133 CCCCCOC1C(=O)COC1=O d3737d0889ad175b8db620b2e5e7b93b [0,1,0,0,0,0|2,0,1]=4 173 B13R1.1133 CCCCCOc1c(n[nH]c1C)C 8b95e9cc7e1a956d9e1dedef0e45c015 [0,1,0,0,0,0|3,0,0]=4 174 B13R1.1133 CCCCCOc1c(noc1C)C e67fa34b4919fda5449aca9ee7c3c64f [0,1,0,0,0,0|3,0,0]=4 175 B13R1.1133 CCCCNCc1c(noc1C)C bc9a33dddd619f25f0abad611e274d87 [0,1,0,0,0,0|3,0,0]=4 176 B13R1.1133 CCCCOC=C1C(=O)CCC1=O 1ace1ea2f58744713ed48f6145b15ffb [0,1,0,0,0,0|1,0,1]=3 177 B13R1.1133 CCCCOCN1C(=O)CCC1=O f117ef722c4e18bd02b88b4c03d7ea06 [0,1,0,0,0,0|2,0,0]=3 178 B13R1.1133 CCCCOCc1c(n[nH]c1C)C 8f2eb80a5638d041ca59c0f49e2674d2 [0,1,0,0,0,0|3,0,0]=4 179 B13R1.1133 CCCCOCc1c(noc1C)Br 253044ce1cc5329b552b71a0f604085f [0,1,0,0,0,0|3,0,0]=4 180 B13R1.1133 CCCCOCc1c(noc1C)C bba1b7a8f0b9316aa76064b51a7e096d [0,1,0,0,0,0|3,0,0]=4 181 B13R1.1133 CCCCOCc1c(nsc1C)C 1f6643ee0c5eac47a18c4519121b9e63 [0,1,0,0,0,0|3,0,0]=4 182 B13R1.1133 CCCNCCN1C(=O)CCC1=O 56183925cbcb717c6f1c1751f3d359ce [0,1,0,0,0,0|2,0,0]=3 183 B13R1.1133 CCCNCCN1C(=O)CSC1=O ee4c88aa6b207cf4998fcc4ffa168064 [0,1,0,0,0,0|3,0,0]=4 184 B13R1.1133 CCCNCCc1c([nH][nH]c1=O)C 7c65bedb95164a57e3d3ce9ce7dcbcab [0,1,0,0,0,0|2,0,0]=3 185 B13R1.1133 CCCNCCc1c(n[nH]c1C)C 3fc649d43704a6353b16b54232024927 [0,1,0,0,0,0|3,0,0]=4 186 B13R1.1133 CCCNCCc1c(noc1C)C eb8aab72c219d6fcd44140c06eda74fc [0,1,0,0,0,0|3,0,0]=4 187 B13R1.1133 CCCOCCN1C(=O)CCC1=O a3880869e2023757c1207960dea2225b [0,1,0,0,0,0|2,0,0]=3 188 B13R1.1133 CCCOCCN1C(=O)CSC1=O ecef9e983e9313e6f792ee86cd2c0132 [0,1,0,0,0,0|3,0,0]=4 189 B13R1.1133 CCCOCCc1c([nH][nH]c1=O)C 673954ce83262fbd04c90e023680076b [0,1,0,0,0,0|2,0,0]=3 190 B13R1.1133 CCCOCCc1c(n[nH]c1C)C 9a055b23a8fb7c6a991590d49b1f7932 [0,1,0,0,0,0|3,0,0]=4 191 B13R1.1133 CCCOCCc1c(noc1C)C a85e19839d1aed1dd1a15dd707341c0f [0,1,0,0,0,0|3,0,0]=4 192 B13R1.1133 CCCOCCn1c(csc1=O)C 7019b5af75d299c2dad10fb9fe85bd81 [0,1,0,0,0,0|2,0,1]=4 193 B13R1.1133 CCNCCCc1c(n[nH]c1C)C 30957ab4cafad449a5a419e782f185c0 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.1133 CCNCCCc1c(noc1C)C 34067082d0a88dc02668669998d8ac02 [0,1,0,0,0,0|3,0,0]=4 195 B13R1.1133 CCOCCCc1c(n[nH]c1C)C d826c451d8da4e803ae608effaa10879 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.1133 CCOCCOC1=C(CCC1=O)C ccf1146d148648a5f1e46cf17722823d [0,1,0,0,0,0|1,0,0]=2 197 B13R1.1133 CCOCCOC1=C(COC1=O)C 5deecc3914655f2e85d8dc1c26e5615c [0,1,0,0,0,0|2,0,0]=3 198 B13R1.1133 CCOCCOC1=C(OCC1=O)C ec35bf3390f2467ef3df95757eb4600b [0,1,0,0,0,0|2,0,0]=3 199 B13R1.1133 CCOCCOC1C(=O)CCC1=O 59c8fbef03f0add6e7aa6841ba84ae6b [0,1,0,0,0,0|2,0,1]=4 200 B13R1.1133 CCOCOC=C1C(=O)CCC1=O 9bae7d8dd58a31661983d5f94828a4dc [0,1,0,0,0,0|2,0,1]=4 201 B13R1.1133 CCOCOCN1C(=O)CCC1=O 3d396ba7982dbecff2bddc7d2c59338f [0,1,0,0,0,0|3,0,0]=4 202 B13R1.1133 CCSCCNC1C(=O)CCC1=O eb94c858eafcd5c157e4f09e13c45c44 [0,1,0,0,0,0|2,0,1]=4 203 B13R1.1133 CCSCCOC1=C(CCC1=O)C 4f425cfb227129297cc36054d29417a3 [0,1,0,0,0,0|1,0,0]=2 204 B13R1.1133 CCSCCOC1=C(COC1=O)C 9944dcc0931fc54a83cff44f75e7def0 [0,1,0,0,0,0|2,0,0]=3 205 B13R1.1133 CCSCCOC1=C(OCC1=O)C 12c0c294e6c854eb111e4b371cd264fd [0,1,0,0,0,0|2,0,0]=3 206 B13R1.1133 COCCCOC1=C(CCC1=O)C a453d56fc7fdebba1f9c3c005a19ca1d [0,1,0,0,0,0|1,0,0]=2 207 B13R1.1133 COCCCOC1=C(COC1=O)C af708332a18cc78eef3db1d8466f5d7a [0,1,0,0,0,0|2,0,0]=3 208 B13R1.1133 COCCCOC1=C(OCC1=O)C 82a9043ef15acf05d93a6f2516f3ca2c [0,1,0,0,0,0|2,0,0]=3 209 B13R1.1133 COCCOC=C1C(=O)CCC1=O 13f64ac08c73e5d728f9c996544b21c0 [0,1,0,0,0,0|2,0,1]=4 210 B13R1.1133 COCCOCN1C(=O)CCC1=O 6418379f1ff630b11e3b9f94af9731a3 [0,1,0,0,0,0|3,0,0]=4 211 B13R1.1133 COCNCCc1c([nH][nH]c1=O)C f386d00dbd90255786000e2674a20021 [0,1,0,0,0,0|3,0,0]=4 212 B13R1.1133 COCOCCN1C(=O)CCC1=O 3e04241a96dfd41fe417e7a584440936 [0,1,0,0,0,0|3,0,0]=4 213 B13R1.1133 COCOCCc1c([nH][nH]c1=O)C ea38bb68101b98193d029bb59299e97c [0,1,0,0,0,0|3,0,0]=4 214 B13R1.1133 CSCCCNC1C(=O)CCC1=O 324c83df249d177c045adeafa1499d74 [0,1,0,0,0,0|2,0,1]=4 215 B13R1.1133 CSCCCOC1=C(CCC1=O)C c778f4fddc14bdd7a84307ddaf9ff156 [0,1,0,0,0,0|1,0,0]=2 216 B13R1.1133 CSCCCOC1=C(COC1=O)C 70d38121a09218e309c7381a20058a74 [0,1,0,0,0,0|2,0,0]=3 217 B13R1.1133 CSCCCOC1=C(OCC1=O)C 49549efd9d95fedf2fad4df590676134 [0,1,0,0,0,0|2,0,0]=3 218 B13R1.1133 CSCCOC=C1C(=O)CCC1=O 3e735a89f7e1e7eef5537783937cd567 [0,1,0,0,0,0|2,0,1]=4 219 B13R1.1133 CSCCOCN1C(=O)CCC1=O 3b4ba9996d0e3e9e5c16bee2bc8dd19d [0,1,0,0,0,0|3,0,0]=4 220 B13R1.1133 CSCNCCc1c([nH][nH]c1=O)C d149656707de22593976e35866682f11 [0,1,0,0,0,0|3,0,0]=4 221 B13R1.1133 CSCOCCN1C(=O)CCC1=O 9293365faf381a7233a4d71eb1e72186 [0,1,0,0,0,0|3,0,0]=4 222 B13R1.1133 CSCOCCc1c([nH][nH]c1=O)C 1136daec6df5f2d9dcf77ec4660cf98d [0,1,0,0,0,0|3,0,0]=4 223 B13R1.1133 Cc1[nH][nH]c(=O)c1CCNCCF 4d81c1f07d4719d6dba4a224db1cd20d [0,1,0,0,0,0|3,0,0]=4 224 B13R1.1133 Cc1[nH][nH]c(=O)c1CCNCCO b16c674ab8b77d525e74ee5bd107b575 [0,1,0,0,0,0|3,0,0]=4 225 B13R1.1133 Cc1[nH][nH]c(=O)c1CCNCCS bccc4509757bc464ee7363bfec500ad9 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.1133 Cc1[nH][nH]c(=O)c1CCOCCF 06ddd7c2a8adaf5c8099923b27de0908 [0,1,0,0,0,0|3,0,0]=4 227 B13R1.1133 Cc1[nH][nH]c(=O)c1CCOCCS 9ff0efd2f26e4ed55c03e863ff3b1308 [0,1,0,0,0,0|3,0,0]=4 228 B13R1.1133 O=C1CCC(=O)C1=COCCCF 6e2acdda8e7cc2cdf69865e4899404f4 [0,1,0,0,0,0|2,0,1]=4 229 B13R1.1133 O=C1CCC(=O)C1=COCCCS 90722c49dc05b23f7484f643f2bfee9e [0,1,0,0,0,0|2,0,1]=4 230 B13R1.1133 O=C1CCC(=O)C1NCCCCO 978d2fc7aa99af0f21d4ee562ec2b40c [0,1,0,0,0,0|2,0,1]=4 231 B13R1.1133 O=C1CCC(=O)C1NCCCCS a44dea236af30844f7f3f849a95d1154 [0,1,0,0,0,0|2,0,1]=4 232 B13R1.1133 O=C1CCC(=O)C1OCCCCF 79106e9b239ab8c4767f42da88f48c04 [0,1,0,0,0,0|2,0,1]=4 233 B13R1.1133 O=C1CCC(=O)N1CCNCCBr f933151d613619340f5e8e0591aa5154 [0,1,0,0,0,0|3,0,0]=4 234 B13R1.1133 O=C1CCC(=O)N1CCNCCF e696ac26ef96ef5ff21e243328eb97ab [0,1,0,0,0,0|3,0,0]=4 235 B13R1.1133 O=C1CCC(=O)N1CCNCCI d1804fb7ba8ead8843f842b26f690031 [0,1,0,0,0,0|3,0,0]=4 236 B13R1.1133 O=C1CCC(=O)N1CCNCCO 64de8741ffddaa4b98c9aa8d66308f24 [0,1,0,0,0,0|3,0,0]=4 237 B13R1.1133 O=C1CCC(=O)N1CCNCCS 293bf1001f5524b27acaa01010132756 [0,1,0,0,0,0|3,0,0]=4 238 B13R1.1133 O=C1CCC(=O)N1CCOCCF 88e6311154a93e2faac54572b51b74ea [0,1,0,0,0,0|3,0,0]=4 239 B13R1.1133 O=C1CCC(=O)N1CCOCCS c1aa455db9e18489aaf0ec17f11f7c92 [0,1,0,0,0,0|3,0,0]=4 240 B13R1.1133 O=C1CCC(=O)N1COCCCF 295f3eb3984510f832adea7b08acd639 [0,1,0,0,0,0|3,0,0]=4 241 B13R1.1133 O=C1CCC(=O)N1COCCCS 01473553ba42950626cb3a3671b33ffe [0,1,0,0,0,0|3,0,0]=4 242 B13R1.2042 C=C(CC)COC1=C(CCC1=O)C 0c425da4f46e47b3d2b1c783671950d0 [0,1,0,0,0,0|1,0,1]=3 243 B13R1.2042 C=C(CC)COC1=C(OCC1=O)C 39332c38a6892037fe1a2125e43f5638 [0,1,0,0,0,0|2,0,1]=4 244 B13R1.2042 C=C(COC1=C(CCC1=O)C)OC 6c239d0804105b4061e8f841ca537419 [0,1,0,0,0,0|2,0,1]=4 245 B13R1.2042 CC1=C(C(=O)CC1)OCC(C)C#N 5c4f7950234f3f986029f389a9a870c6 [0,1,0,0,0,0|2,0,1]=4 246 B13R1.2042 CC1=C(C(=O)CC1)OCC(O)CO eddecb56819d5452723f46da3a5812e7 [0,1,0,0,0,0|2,0,0]=3 247 B13R1.2042 CC1=C(C(=O)CC1)OC[C@@H](O)CO 1f11d53bf31e7771363f5685e8eddad1 [0,1,0,0,0,0|2,0,0]=3 248 B13R1.2042 CC1=C(C(=O)CC1)OC[C@H](O)CO e699b34e483b7b71297b895686a8e824 [0,1,0,0,0,0|2,0,0]=3 249 B13R1.2042 CC1=C(C(=O)CO1)OCC(O)CO e73a9a19c854956b62dfc67ffbc0611a [0,1,0,0,0,0|3,0,0]=4 250 B13R1.2042 CC1=C(C(=O)CO1)OC[C@@H](O)CO 6b98103ae1c498cc7b50d0412630c9fc [0,1,0,0,0,0|3,0,0]=4 251 B13R1.2042 CC1=C(C(=O)CO1)OC[C@H](O)CO 0d7a95ed34f0b45df4c2aa8dab06b3ee [0,1,0,0,0,0|3,0,0]=4 252 B13R1.2042 CC1=C(C(=O)OC1)OCC(O)CO dd8df63cd96ae594b10376070123d6b2 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.2042 CC1=C(C(=O)OC1)OC[C@@H](O)CO d34dd890961b7d0c0f05c7cc13b00fa4 [0,1,0,0,0,0|3,0,0]=4 254 B13R1.2042 CC1=C(C(=O)OC1)OC[C@H](O)CO 207a77d3f58b4aed18a55ba95b20f049 [0,1,0,0,0,0|3,0,0]=4 255 B13R1.2042 CCC(=O)COC1=C(CCC1=O)C 531de18e187d024cbdc5b6140815a1ed [0,1,0,0,0,0|1,0,1]=3 256 B13R1.2042 CCC(=O)COC1=C(COC1=O)C 99819263aad71410b10bc3150cdd5855 [0,1,0,0,0,0|2,0,1]=4 257 B13R1.2042 CCC(=O)COC1=C(OCC1=O)C 2034821b8a1532173a3c12e0d3e48c19 [0,1,0,0,0,0|2,0,1]=4 258 B13R1.2042 CCC(C)COC1=C(CCC1=O)C cef3cca82165b87e2e81b13639b59a8f [0,1,0,0,0,0|1,0,0]=2 259 B13R1.2042 CCC(C)COC1=C(COC1=O)C 9d257942888c3bd91e5d1d3bc13b3d07 [0,1,0,0,0,0|2,0,0]=3 260 B13R1.2042 CCC(C)COC1=C(OCC1=O)C 068074fd2093d7f8844a16e2735f7dfc [0,1,0,0,0,0|2,0,0]=3 261 B13R1.2042 CCC(C)COC1C(=O)CCC1=O 951d7e2f9771c0cd76f30769cb8b4203 [0,1,0,0,0,0|2,0,1]=4 262 B13R1.2042 CCC(C)OC=C1C(=O)CCC1=O a1dc3722cca9268014edcec5e6087f50 [0,1,0,0,0,0|2,0,1]=4 263 B13R1.2042 CCC(C)OCN1C(=O)CCC1=O e80393e302b14722355c9ff88bb49a1b [0,1,0,0,0,0|3,0,0]=4 264 B13R1.2042 CCN(C)CCN1C(=O)CCC1=O 902a353e45df454086c595c9f3698879 [0,1,0,0,0,0|3,0,0]=4 265 B13R1.2042 CC[C@@H](C)COC1=C(CCC1=O)C 75255a9bebabdfe996830745c0cde5f3 [0,1,0,0,0,0|1,0,0]=2 266 B13R1.2042 CC[C@@H](C)COC1=C(COC1=O)C f597d8f341424bc93a146ddfaca9d9b7 [0,1,0,0,0,0|2,0,0]=3 267 B13R1.2042 CC[C@@H](C)COC1=C(OCC1=O)C 18e34d93d2fdbda79aa5429306b228a5 [0,1,0,0,0,0|2,0,0]=3 268 B13R1.2042 CC[C@@H](C)COC1C(=O)CCC1=O 20531fce2d18c884946fd0769e8f1833 [0,1,0,0,0,0|2,0,1]=4 269 B13R1.2042 CC[C@H](C)COC1=C(CCC1=O)C 32a7430e2692836926290bae535a52c0 [0,1,0,0,0,0|1,0,0]=2 270 B13R1.2042 CC[C@H](C)COC1=C(COC1=O)C 4c915b405af888f9af44a75545e01d98 [0,1,0,0,0,0|2,0,0]=3 271 B13R1.2042 CC[C@H](C)COC1=C(OCC1=O)C ca6cf122a94fc14164b17b00d4413d8b [0,1,0,0,0,0|2,0,0]=3 272 B13R1.2042 CC[C@H](C)COC1C(=O)CCC1=O b2ff34ff871cf93af704ea2a37dd4a8a [0,1,0,0,0,0|2,0,1]=4 273 B13R1.2042 CNC(=O)COC1=C(CCC1=O)C 6410fee7874ae57c4626c9e916d0a3cb [0,1,0,0,0,0|2,0,1]=4 274 B13R1.2042 COC(=O)COC1=C(CCC1=O)C 7ef65b6db37fbeefe685adfc5155d992 [0,1,0,0,0,0|2,0,1]=4 275 B13R1.2042 COC(C)COC1=C(CCC1=O)C eb65137205b3b809bac341c33a3527ce [0,1,0,0,0,0|2,0,0]=3 276 B13R1.2042 COC(C)COC1=C(COC1=O)C cd279d53aa120682c8df883b339d4402 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.2042 COC(C)COC1=C(OCC1=O)C b166ece466fdf77be56a8dd9d02c22f8 [0,1,0,0,0,0|3,0,0]=4 278 B13R1.2042 CO[C@@H](C)COC1=C(CCC1=O)C 598e3665551540fa733d8df0340f504a [0,1,0,0,0,0|2,0,0]=3 279 B13R1.2042 CO[C@@H](C)COC1=C(COC1=O)C 713cf392c6f43d29ca6891a7ba267050 [0,1,0,0,0,0|3,0,0]=4 280 B13R1.2042 CO[C@@H](C)COC1=C(OCC1=O)C 6481553b22f7f0f8dd7213925164cd37 [0,1,0,0,0,0|3,0,0]=4 281 B13R1.2042 CO[C@H](C)COC1=C(CCC1=O)C 4cf70e0d3896c409b280e65569e3039b [0,1,0,0,0,0|2,0,0]=3 282 B13R1.2042 CO[C@H](C)COC1=C(COC1=O)C 6dd254aa932875bc855969ab137bea74 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.2042 CO[C@H](C)COC1=C(OCC1=O)C 6bdcce5d342d4dbae1abd38f826f67d9 [0,1,0,0,0,0|3,0,0]=4 284 B13R1.2565 CC1=C(C(=O)CC1)OC(C)CC#N fca157f4fd0bff80d17ce309e410f96b [0,1,0,0,0,0|2,0,1]=4 285 B13R1.2565 CCCC(C)OC1=C(CCC1=O)C 64b042f1502e80214a4ebb3d81984796 [0,1,0,0,0,0|1,0,0]=2 286 B13R1.2565 CCCC(C)OC1=C(COC1=O)C 041d650527825a3375090e170290cc3e [0,1,0,0,0,0|2,0,0]=3 287 B13R1.2565 CCCC(C)OC1=C(OCC1=O)C 9944169e7c8b6fe8cffdaa19968990e2 [0,1,0,0,0,0|2,0,0]=3 288 B13R1.2565 COCC(C)OC1=C(CCC1=O)C 840b96195f730e5d2672fbf09aa80697 [0,1,0,0,0,0|2,0,0]=3 289 B13R1.2565 COCC(C)OC1=C(COC1=O)C 191525a08a2f586c8f8de292aaccfe42 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.2565 COCC(C)OC1=C(OCC1=O)C 8bb6a57630e4531a3188a7bcb1718029 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.2923 C#CCCOC1=C(CCC1=O)CC b8438f9c488ddc81015b02fb4363342a [0,1,0,0,0,0|1,0,2]=4 292 B13R1.2923 C/C=C/COC1=C(CCC1=O)CC 3f513b4ac440543e437da2e2aeb9a7e1 [0,1,0,0,0,0|1,0,2]=4 293 B13R1.2923 C/C=C\COC1=C(CCC1=O)CC d1bc3526c068623763b1fdec30317b8e [0,1,0,0,0,0|1,0,2]=4 294 B13R1.2923 C=CCCOC1=C(CCC1=O)CC 10082625ee20874d8e22d8567d764078 [0,1,0,0,0,0|1,0,2]=4 295 B13R1.2923 CCC1=C(C(=O)CC1)OCCC#N 248f52a4b2aa86a2d54540005d76b0b0 [0,1,0,0,0,0|2,0,1]=4 296 B13R1.2923 CCC1=C(C(=O)CC1)OCCC=O 6730795d1fb210f00b79d2f668b024c0 [0,1,0,0,0,0|2,0,1]=4 297 B13R1.2923 CCC1=C(C(=O)CC1)OCCCF cf709118d5c1a4040fd919009ecf9f58 [0,1,0,0,0,0|2,0,0]=3 298 B13R1.2923 CCC1=C(C(=O)CC1)OCCCS f5d2ed133e4c9a8051c8a9d1bf7d0e24 [0,1,0,0,0,0|2,0,0]=3 299 B13R1.2923 CCC1=C(C(=O)CC1)OCCOC 77e73f13c355920f83a1eaf66e13a7d9 [0,1,0,0,0,0|2,0,0]=3 300 B13R1.2923 CCC1=C(C(=O)CC1)OCCSC 008bbae8997a6a477552e0a4c534a1d8 [0,1,0,0,0,0|2,0,0]=3 301 B13R1.2923 CCCCNc1c(csc1C=O)C bbd92a9b6ceb9614abf07b750df0d9d7 [0,1,0,0,0,0|2,0,1]=4 302 B13R1.2923 CCCCNc1c(n[nH]c1C=O)C 6dd0c43d911682653250e4a5b1d8a066 [0,1,0,0,0,0|3,0,0]=4 303 B13R1.2923 CCCCNc1c(nsc1C=O)C 086a690c28f169de55b7359f07678063 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.2923 CCCCOC1=C(CCC1=O)CC 09d738c9de3c1ab793df658f91b5bdea [0,1,0,0,0,0|1,0,0]=2 305 B13R1.2923 CCNCCc1c([nH][nH]c1=O)CC d1bbd64033f327d20788f58e1091590c [0,1,0,0,0,0|3,0,0]=4 306 B13R1.2923 CCOCOC1=C(CCC1=O)CC 421a7b08bdd1733f0fef31131e1cdd6e [0,1,0,0,0,0|2,0,0]=3 307 B13R1.3529 C=C(C)CCOC1=C(CCC1=O)C a38c51fca25fd8037708bcc262ec54ed [0,1,0,0,0,0|1,0,1]=3 308 B13R1.3529 C=C(C)CCOC1=C(OCC1=O)C 7e14cb21294e1aa8e9720eb2817818fb [0,1,0,0,0,0|2,0,1]=4 309 B13R1.3529 CC(=CCOC1=C(CCC1=O)C)C 2c55109f6e21497a0cd1324312c91bff [0,1,0,0,0,0|1,0,2]=4 310 B13R1.3529 CC(=CCOC1=C(CCC1=O)C)Cl d43c4083b517d6fbb3de61795f814986 [0,1,0,0,0,0|1,0,2]=4 311 B13R1.3529 CC(=CCOC1=C(CCC1=O)C)I 8d88e32f1775e1a86bcc9d2bfcd0b2f0 [0,1,0,0,0,0|1,0,2]=4 312 B13R1.3529 CC(=O)CCOC1=C(CCC1=O)C d119833f1c194a06b7acaf5a8e26354a [0,1,0,0,0,0|1,0,1]=3 313 B13R1.3529 CC(=O)CCOC1=C(COC1=O)C 33c00cd9245cf0cee4e60dfed552b19c [0,1,0,0,0,0|2,0,1]=4 314 B13R1.3529 CC(=O)CCOC1=C(OCC1=O)C 91cb36339d5490166e218ee98f20ac95 [0,1,0,0,0,0|2,0,1]=4 315 B13R1.3529 CC(=O)OCOC1=C(CCC1=O)C 89ba8a58fd2a3bef839bf6a2781b7093 [0,1,0,0,0,0|2,0,1]=4 316 B13R1.3529 CC(C)CCOC1C(=O)CCC1=O 8ce194765893f3b0ed349f3d68365d90 [0,1,0,0,0,0|2,0,1]=4 317 B13R1.3529 CC(C)COC=C1C(=O)CCC1=O 009765dc796ae7bfa8b50ff15ac426e9 [0,1,0,0,0,0|2,0,1]=4 318 B13R1.3529 CC(C)COCN1C(=O)CCC1=O ccefef97b1554077beb8bd820db202fc [0,1,0,0,0,0|3,0,0]=4 319 B13R1.3529 CC(C)OCCN1C(=O)CCC1=O c332a7d6aa2b7471430ea81d0a18edd3 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.3529 CC(O)CCNC1C(=O)CCC1=O 9e18fbb7bd125ea837cb473258ae2116 [0,1,0,0,0,0|2,0,1]=4 321 B13R1.3529 CC1=C(C(=O)CC1)OC/C=C(/C)\I 3d92e94d3d68d706100097af131be500 [0,1,0,0,0,0|1,0,2]=4 322 B13R1.3529 CC1=C(C(=O)CC1)OC/C=C(\C)/Cl f2de97b020a66f31972da9273e3572cd [0,1,0,0,0,0|1,0,2]=4 323 B13R1.3529 CC1=C(C(=O)CC1)OCCC(=O)N 17c6f1861ce243ae61c01184b04e2d7d [0,1,0,0,0,0|2,0,1]=4 324 B13R1.3529 CC1=C(C(=O)CC1)OCCC(=O)O f20a99aa9cd4a399377d72183eed5e6c [0,1,0,0,0,0|2,0,1]=4 325 B13R1.3529 CC1=C(C(=O)CC1)OCCC(C)C cc67b4683fea4086bd972823292d8039 [0,1,0,0,0,0|1,0,0]=2 326 B13R1.3529 CC1=C(C(=O)CC1)OCCN(C)C 62b3f18c8701ac4c34210215b97bdc60 [0,1,0,0,0,0|2,0,0]=3 327 B13R1.3529 CC1=C(C(=O)CC1)OCCS(=O)C 0b4bcb442d08fb97eaa8479c787f6d4a [0,1,0,0,0,0|2,0,0]=3 328 B13R1.3529 CC1=C(C(=O)CC1)OCOC(C)C 2ccdc3915c3968b1c01a3dae35bccf2b [0,1,0,0,0,0|2,0,0]=3 329 B13R1.3529 CC1=C(C(=O)CO1)OCCC(C)C 6adb7468cd5bae7ca5b6b0ecd5d702df [0,1,0,0,0,0|2,0,0]=3 330 B13R1.3529 CC1=C(C(=O)CO1)OCCN(C)C cdc154a8299c28cb17ba4b450955f1db [0,1,0,0,0,0|3,0,0]=4 331 B13R1.3529 CC1=C(C(=O)CO1)OCCS(=O)C df125acdd602ca48fffcdcb3c4205aaa [0,1,0,0,0,0|3,0,0]=4 332 B13R1.3529 CC1=C(C(=O)CO1)OCOC(C)C f89111679bca06413019e0e2863a83b3 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.3529 CC1=C(C(=O)OC1)OCCC(C)C 495b2fde98fcedddb124837e8147904e [0,1,0,0,0,0|2,0,0]=3 334 B13R1.3529 CC1=C(C(=O)OC1)OCCN(C)C 49023c0919390a673f8e86bda7d7279d [0,1,0,0,0,0|3,0,0]=4 335 B13R1.3529 CC1=C(C(=O)OC1)OCCS(=O)C 029d81aebe5908297492a605bddc8f69 [0,1,0,0,0,0|3,0,0]=4 336 B13R1.3529 CC1=C(C(=O)OC1)OCOC(C)C 055df18058e1bfc1033971adcf39d840 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.3529 C[C@@H](O)CCNC1C(=O)CCC1=O 6eb3a8bbb73dd401a8cb570d2ef78fc8 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.3529 C[C@H](O)CCNC1C(=O)CCC1=O b912cfe9c3ef5a161dcd2749371ad273 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.3529 Cc1[nH][nH]c(=O)c1CCNC(C)C 5adfbe31c2faa968f51d7ec3a87f2f50 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.6200 C#CCCOC1=C(C(CC1=O)C)C 91ccc0e3184f9bc67c52a066b34298fc [0,1,0,0,0,0|1,0,2]=4 341 B13R1.6200 C/C=C/COC1=C(C(CC1=O)C)C 626679ceb41be7ec48765a0dd3b1cf40 [0,1,0,0,0,0|1,0,2]=4 342 B13R1.6200 C/C=C\COC1=C(C(CC1=O)C)C 5ba19913eaffea76ec92cc6b26de6336 [0,1,0,0,0,0|1,0,2]=4 343 B13R1.6200 C=CCCOC1=C(C(CC1=O)C)C da201da5d5ecbdd526ca96403652ce8e [0,1,0,0,0,0|1,0,2]=4 344 B13R1.6200 CC1=C(C(=O)C(O1)C)OCCCF 8ca382760321485bbe2f3d54f8c24749 [0,1,0,0,0,0|3,0,0]=4 345 B13R1.6200 CC1=C(C(=O)C(O1)C)OCCCS 09265b652d25513603a7261d8a570ba2 [0,1,0,0,0,0|3,0,0]=4 346 B13R1.6200 CC1=C(C(=O)CC1C)OCCC#N d75b13f4f47b29f30b84cf098dbc4697 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.6200 CC1=C(C(=O)CC1C)OCCC=O 8adde6e9fe5fda0b3979a926b54d276f [0,1,0,0,0,0|2,0,1]=4 348 B13R1.6200 CC1=C(C(=O)CC1C)OCCCF d21f2e8ffedeb05eb49e4fa73934b6d2 [0,1,0,0,0,0|2,0,0]=3 349 B13R1.6200 CC1=C(C(=O)CC1C)OCCCS de315ec7cd95954951625a0ebebe4dc9 [0,1,0,0,0,0|2,0,0]=3 350 B13R1.6200 CC1=C(C(=O)OC1C)OCCCF d17973eeca180a608c4db01fd6da3673 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.6200 CC1=C(C(=O)OC1C)OCCCS 2358381b894b2d2c443701e8a931d455 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.6200 CCCCOC1=C(C(CC1=O)C)C 0306121706e2caf648f561b7b6463436 [0,1,0,0,0,0|1,0,0]=2 353 B13R1.6200 CCCCOC1=C(C(OC1=O)C)C 830893a13fc6d4166211d4609fadd245 [0,1,0,0,0,0|2,0,0]=3 354 B13R1.6200 CCCCOC1=C(OC(C1=O)C)C b17984f8fc078a96a5731f42f64a5ae9 [0,1,0,0,0,0|2,0,0]=3 355 B13R1.6200 CCOCCc1c([nH]n(c1=O)C)C 59bde8caf86f03296dd104c49f275d52 [0,1,0,0,0,0|3,0,0]=4 356 B13R1.6200 CCOCOC1=C(C(CC1=O)C)C 83bbecb763e87ef7dc403b88001df6a7 [0,1,0,0,0,0|2,0,0]=3 357 B13R1.6200 CCOCOC1=C(C(OC1=O)C)C 3053e37dd65c9920d64c7eafdffe683e [0,1,0,0,0,0|3,0,0]=4 358 B13R1.6200 CCOCOC1=C(OC(C1=O)C)C e8efd375b7a4ba024307b144fe178002 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.6200 COCCOC1=C(C(CC1=O)C)C 58bdfef5b89b6d1c53ac476ab76a89f3 [0,1,0,0,0,0|2,0,0]=3 360 B13R1.6200 COCCOC1=C(C(OC1=O)C)C 806132ecc09e90bded7b0d649c660959 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.6200 COCCOC1=C(OC(C1=O)C)C a305302ded3d6e3bc3108566b11a4259 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.6200 CSCCOC1=C(C(CC1=O)C)C c34ff6f62d2dfa8405e80434138f2ac4 [0,1,0,0,0,0|2,0,0]=3 363 B13R1.6200 CSCCOC1=C(C(OC1=O)C)C 8f20754b3ff4db308b89f22e0dce12a0 [0,1,0,0,0,0|3,0,0]=4 364 B13R1.6200 CSCCOC1=C(OC(C1=O)C)C f3bffe605e75ed96f9fe332f39e19ff8 [0,1,0,0,0,0|3,0,0]=4 365 B11R0.75 CCC(=O)N(CC)CCCCO a05e3a4c4c65077e75dc6ef83590bdf8 [0,0,1,0,0,0|2,0,1]=4 366 B11R0.75 CCC(=O)N(CC)CCCOC 12057e6b584e7b1b6fb1093d26868f25 [0,0,1,0,0,0|2,0,1]=4 367 B11R0.75 CCCCOC(CC)C(=O)CC e4b89c258573653e43e9348bbeb2e063 [0,0,1,0,0,0|1,0,2]=4 368 B11R0.75 CCOCCN(CC)C(=O)CC 6dae97d46117ca7d2ba2c97eb429b838 [0,0,1,0,0,0|2,0,1]=4 369 B11R0.81 C#CCCC(=O)NCCCCC 3121f7ea77c076ecb80d6df1e79199cc [0,0,1,0,0,0|1,0,2]=4 370 B11R0.81 C/C=C/CC(=O)NCCCCC 774328c90bf0e133b0d7bc3d5e34ebd5 [0,0,1,0,0,0|1,0,1]=3 371 B11R0.81 C/C=C/CC(=O)NCCCCCl 65f053231c214aa500f4c20d2fdaed28 [0,0,1,0,0,0|2,0,1]=4 372 B11R0.81 C/C=C/CC(=O)NCCCCO bcb4f12b6a062eaf13f80eb7392e2ce0 [0,0,1,0,0,0|2,0,1]=4 373 B11R0.81 C/C=C/CC(=O)NCCCCS cf07fdf72437ffb578acd048443ee0cd [0,0,1,0,0,0|2,0,1]=4 374 B11R0.81 C/C=C/CC(=O)NCCCOC 81ec0410e04c95941050793d20a5705d [0,0,1,0,0,0|2,0,1]=4 375 B11R0.81 C/C=C/CC(=O)NCCCSC 5fe87d477e2739631d32457311d4ed45 [0,0,1,0,0,0|2,0,1]=4 376 B11R0.81 C/C=C/CC(=O)NCCOCC 2b5d992883f44ef38e6ac5982a9e6513 [0,0,1,0,0,0|2,0,1]=4 377 B11R0.81 C/C=C/CC(=O)NCCSCC 1ca2155a032afd87b5f53b728e6a5bb3 [0,0,1,0,0,0|2,0,1]=4 378 B11R0.81 C=CCCC(=O)NCCCCC 8331c8a4efa9f058d9d4ef6f4946e414 [0,0,1,0,0,0|1,0,1]=3 379 B11R0.81 C=CCCC(=O)NCCCCCl 530c3bc456d0a5930076698da9dc8382 [0,0,1,0,0,0|2,0,1]=4 380 B11R0.81 C=CCCC(=O)NCCCCO 78827531924271088dd2dd6fd3447857 [0,0,1,0,0,0|2,0,1]=4 381 B11R0.81 C=CCCC(=O)NCCCCS 88787c9df61503ce8bd02c9dc3f470cc [0,0,1,0,0,0|2,0,1]=4 382 B11R0.81 C=CCCC(=O)NCCCOC 1bed3c52904236672173e32b5257468b [0,0,1,0,0,0|2,0,1]=4 383 B11R0.81 C=CCCC(=O)NCCCSC 242361745df08dc64416b452c936caf4 [0,0,1,0,0,0|2,0,1]=4 384 B11R0.81 C=CCCC(=O)NCCOCC 2c871c1c9cb784b14229731638c0365f [0,0,1,0,0,0|2,0,1]=4 385 B11R0.81 C=CCCC(=O)NCCSCC e22c142cdfc83ab9a76b1bbded24cc57 [0,0,1,0,0,0|2,0,1]=4 386 B11R0.81 C=CCCC(C)NCCCCC c72678af6e35c54e15af857a3a047306 [0,0,1,0,0,0|2,0,1]=4 387 B11R0.81 C=CCCC(C)OCCCCC 5c3621609950ec1f6b4d1c06599c428c [0,0,1,0,0,0|2,0,1]=4 388 B11R0.81 C=CCCN(C)CCCCCC ac5230d51369ece9d48c5039c9dbd5b7 [0,0,1,0,0,0|2,0,1]=4 389 B11R0.81 C=CCC[C@@H](C)OCCCCC 1ba9be83b2eefe0ba6693ec19df98046 [0,0,1,0,0,0|2,0,1]=4 390 B11R0.81 CC#CCC(=O)NCCCCC 96d7b3587e44b3a746a6efa72fbdfada [0,0,1,0,0,0|1,0,2]=4 391 B11R0.81 CCCC/C=C/C(=O)NCCC 96ad6cfe920fad2b1e8dcae5661c3046 [0,0,1,0,0,0|1,0,2]=4 392 B11R0.81 CCCCC(=O)NCCCCCl b9536b0c8f50ac92230f25eea98ed7d1 [0,0,1,0,0,0|2,0,1]=4 393 B11R0.81 CCCCC(=O)NCCCCO fa42fcd441c7069b7e8d15f43c375c64 [0,0,1,0,0,0|2,0,1]=4 394 B11R0.81 CCCCC(=O)NCCCCS ce90c047aecddf54e66da494b3c8c31b [0,0,1,0,0,0|2,0,1]=4 395 B11R0.81 CCCCC(=O)NCCCOC d86159687395af2cdbf73960d6c053a1 [0,0,1,0,0,0|2,0,1]=4 396 B11R0.81 CCCCC(=O)NCCCSC be82751f82a49c9ebe55528be38267ca [0,0,1,0,0,0|2,0,1]=4 397 B11R0.81 CCCCC(=O)NCCOCC bcdbd9d41426e95de40e68225afe50a3 [0,0,1,0,0,0|2,0,1]=4 398 B11R0.81 CCCCC(=O)NCCSCC 3dc1a80f6b8f71092a353e3e3c630639 [0,0,1,0,0,0|2,0,1]=4 399 B11R0.81 CCCCC(=O)OCNCCC 189a0251ea5eef3ed179b78ec37eca6d [0,0,1,0,0,0|2,0,1]=4 400 B11R0.81 CCCCC(=O)OCOCCC 0911490fac5c15eab77dc944203f025f [0,0,1,0,0,0|2,0,1]=4 401 B11R0.81 CCCCC=CC(=O)NCCC 4a74f82ed7748f3262f04de1576686f7 [0,0,1,0,0,0|1,0,2]=4 402 B11R0.81 CCCCCCC(=O)NCCC 87d8790730f902707f59eb54172a1efa [0,0,1,0,0,0|1,0,2]=4 403 B11R0.81 CCCCCCC(C)NCC=O c7433337aef04e4748633574e4b09493 [0,0,1,0,0,0|1,0,2]=4 404 B11R0.81 CCCCCCC(C)OCC=O ade50a42a05ac573010d986a97b1212a [0,0,1,0,0,0|1,0,2]=4 405 B11R0.81 CCCCCCN(C)CCC=O f727319179002329e7fedbeebd43bd2a [0,0,1,0,0,0|1,0,1]=3 406 B11R0.81 CCCCCC[C@@H](C)NCC=O 6e36eecaf11dfc5b75e073af1f838460 [0,0,1,0,0,0|1,0,2]=4 407 B11R0.81 CCCCCC[C@@H](C)OCC=O 4d298c9b95f21a7e0d2021131da47179 [0,0,1,0,0,0|1,0,2]=4 408 B11R0.81 CCCCCC[C@H](C)NCC=O 6e51132a2356a5e38a242e1d45ecd574 [0,0,1,0,0,0|1,0,2]=4 409 B11R0.81 CCCCCC[C@H](C)OCC=O e919d7296b8c04a4998ac9a92454377b [0,0,1,0,0,0|1,0,2]=4 410 B11R0.81 CCCCCNC(=O)CCC#N 2fe660453d24f69d43c92da00f816b29 [0,0,1,0,0,0|2,0,1]=4 411 B11R0.81 CCCCCNC(=O)CCC=O 4e06a1300e5289e3f929fbc06dd15cac [0,0,1,0,0,0|2,0,0]=3 412 B11R0.81 CCCCCNC(=O)CCCC a06834419102a1558a19fb3a1406cfb0 [0,0,1,0,0,0|1,0,1]=3 413 B11R0.81 CCCCCNC(=O)CCCF cb3b728da5cd7a0af32935f0696071b9 [0,0,1,0,0,0|2,0,1]=4 414 B11R0.81 CCCCCNC(=O)CCCS 2ce8fa8be7e233b98c683adc51803bf5 [0,0,1,0,0,0|2,0,1]=4 415 B11R0.81 CCCCCNC(=O)CCOC 99bac40aabd096dca01631fdf32d2a4b [0,0,1,0,0,0|2,0,0]=3 416 B11R0.81 CCCCCNC(=O)CCSC 307383e6c5c252e00e4647926ad02c1d [0,0,1,0,0,0|2,0,0]=3 417 B11R0.81 CCCCCNC(=O)CNC=O 7e3a231926715d44376afd8fa12e0ddf [0,0,1,0,0,0|3,0,0]=4 418 B11R0.81 CCCCCNC(=O)COCC 11ebeee9fef7d60698beadcb88e4cda2 [0,0,1,0,0,0|2,0,1]=4 419 B11R0.81 CCCCCNC(=O)CSCC bf3d4e842c78e9ee2405e5f2f5ac3c0b [0,0,1,0,0,0|2,0,1]=4 420 B11R0.81 CCCCCNC(=O)CSSC 213fed2b239e133e90d67490111e539f [0,0,1,0,0,0|3,0,0]=4 421 B11R0.81 CCCCCNC(=O)NCCC 2fb53f51cf25e3deb1739f07400adf03 [0,0,1,0,0,0|2,0,1]=4 422 B11R0.81 CCCCNCC(=O)CCSC 85cdcea0a9b1cf078809a10dbbdf3702 [0,0,1,0,0,0|2,0,1]=4 423 B11R0.81 CCCCOCC(=O)CCSC dbd0d7739b9bd0f4e7f18e93ebf96429 [0,0,1,0,0,0|2,0,1]=4 424 B11R0.81 CCOCCNC(=O)CCC=O a1793bb43e5fd73d159692252b8121d6 [0,0,1,0,0,0|3,0,0]=4 425 B11R0.81 CCOCCNC(=O)CCOC ac2e4792b39278e1be00015aba1c14ba [0,0,1,0,0,0|3,0,0]=4 426 B11R0.81 CCOCCNC(=O)CCSC e921116d3831e309cf43a8831d286efa [0,0,1,0,0,0|3,0,0]=4 427 B11R0.81 CCSCCNC(=O)CCC=O 5e1f815d8a5f2a3abca593add86a2fa8 [0,0,1,0,0,0|3,0,0]=4 428 B11R0.81 CCSCCNC(=O)CCOC 43174eb7b6b512a7d0afbe0b9f344a65 [0,0,1,0,0,0|3,0,0]=4 429 B11R0.81 CCSCCNC(=O)CCSC 4dce0d397f7e5f7bb9ff360e55b32e5e [0,0,1,0,0,0|3,0,0]=4 430 B11R0.81 CN(CCC=O)CCCCCO 2ddd7965698461a4b5a8ffaedc5975de [0,0,1,0,0,0|2,0,1]=4 431 B11R0.81 COCCC(=O)NCCCCCl fa66e0b355b29716ed9ecfda5f87d98a [0,0,1,0,0,0|3,0,0]=4 432 B11R0.81 COCCC(=O)NCCCCO daa4a244695bc10ddab6adc5fc18e997 [0,0,1,0,0,0|3,0,0]=4 433 B11R0.81 COCCC(=O)NCCCCS bac386b0d813fa61a81f3ecae28d0a64 [0,0,1,0,0,0|3,0,0]=4 434 B11R0.81 COCCC(=O)NCCCSC 8fd445ba13081a0d2c2426e57760d0ba [0,0,1,0,0,0|3,0,0]=4 435 B11R0.81 COCCCCN(C)CCC=O 01199adcdcfe2594ed4cc579099990f0 [0,0,1,0,0,0|2,0,1]=4 436 B11R0.81 COCCCNC(=O)CCC=O 7ea1bcc830296e01978c091e2ee9b8d1 [0,0,1,0,0,0|3,0,0]=4 437 B11R0.81 COCCCNC(=O)CCOC 0d851eba3b5b9a8db5c33d4c3292d86c [0,0,1,0,0,0|3,0,0]=4 438 B11R0.81 COCCCNC(=O)CCSC bd256f537cf5b60a44ed5d07cd5d7f53 [0,0,1,0,0,0|3,0,0]=4 439 B11R0.81 CSCCC(=O)NCCCCCl e31fc2f29c10b7ed2ed8afda323e677e [0,0,1,0,0,0|3,0,0]=4 440 B11R0.81 CSCCC(=O)NCCCCO a953872b286eb5b4d6a71a9d0a155648 [0,0,1,0,0,0|3,0,0]=4 441 B11R0.81 CSCCC(=O)NCCCCS 23e734bd7232ee8ac3124e1dff91694c [0,0,1,0,0,0|3,0,0]=4 442 B11R0.81 CSCCCNC(=O)CCC=O f5a7720127acc9b9d6119758aefac3a1 [0,0,1,0,0,0|3,0,0]=4 443 B11R0.81 CSCCCNC(=O)CCSC 24992b0fd6036b5e47ab1e4f6ef55d39 [0,0,1,0,0,0|3,0,0]=4 444 B11R0.81 O=CCCC(=O)NCCCCCl d455beadc4a1b6f9aa467d27b97f0870 [0,0,1,0,0,0|3,0,0]=4 445 B11R0.81 O=CCCC(=O)NCCCCO dc2edf81499eb68c26aaefe790c048a1 [0,0,1,0,0,0|3,0,0]=4 446 B11R0.81 O=CCCC(=O)NCCCCS 8dc52fa127c5c418c064924370d52695 [0,0,1,0,0,0|3,0,0]=4 447 B11R0.153 CC(=O)N(CCCCO)C(C)C 299e7df163e553a85e0de12442360048 [0,0,1,0,0,0|2,0,1]=4 448 B11R0.153 CCCCCN(C(=O)C)C(C)C 884e96c78c6520a3649ce3527a96b035 [0,0,1,0,0,0|1,0,1]=3 449 B11R0.153 CCCCNC(C(=O)C)C(=O)C b6c8a4dbd35476b5434017d9749b859d [0,0,1,0,0,0|2,0,1]=4 450 B11R0.153 CCCCOC(C(=O)C)C(=O)C 3262bdf34e438ec129505d8deca82993 [0,0,1,0,0,0|2,0,1]=4 451 B11R0.153 COCCCN(C(=O)C)C(C)C 9c0eed25e4a7e8be724b3482b720738e [0,0,1,0,0,0|2,0,1]=4 452 B13R2.2130 CCN1CCN2C(=O)CCC2C1 54b0acc62c4ab912ddaf470c14bded86 [0,0,0,1,0,0|2,0,1]=4 453 B13R2.2130 CCN1CCN2C(=O)CC[C@@H]2C1 873a387a6bd7a6cbca693ffab0fc5efc [0,0,0,1,0,0|2,0,1]=4 454 B13R2.2130 CCN1CCN2C(=O)CC[C@H]2C1 4dc4e996dbb90bbb97f76c97f644ab00 [0,0,0,1,0,0|2,0,1]=4 455 B13R2.2130 CCN1CCc2c(o[nH]c2=O)C1 d8193d904ca22adcc3f86bb71b7da7a7 [0,0,0,1,0,0|3,0,0]=4 456 B13R2.2150 CCN1CCN2C1(CCC2=O)C ed6bb60c21be7e7da0819f416f1bbbba [0,0,0,1,0,0|2,0,1]=4 457 B13R2.2350 CC1=C(C(=O)CC1)OCC2CC2 f6cf9e9f70692bcd18bd0a00a25e1f27 [0,0,0,1,0,0|1,0,0]=2 458 B13R2.2350 CC1=C(C(=O)CO1)OCC2CC2 6eec308edfc6101f3e85981f8fd5b153 [0,0,0,1,0,0|2,0,0]=3 459 B13R2.2350 CC1=C(C(=O)OC1)OCC2CC2 b5367e6e2316848f076e8cc18e60f528 [0,0,0,1,0,0|2,0,0]=3 460 B13R2.2350 O=C1CCC(=O)C1=COC2CC2 c2dcf64bbd23aaa4c8b8bd7ca4f0aa34 [0,0,0,1,0,0|2,0,1]=4 461 B13R2.2350 O=C1CCC(=O)N1COC2CC2 51faf85b853987f411da60ece5facfec [0,0,0,1,0,0|3,0,0]=4 462 B13R2.3068 CC1=C(C(=O)CC1)OC2CCC2 991aa2fec213bcf341dc3ee2a7640885 [0,0,0,1,0,0|1,0,0]=2 463 B13R2.3068 CC1=C(C(=O)CC1)OC2COC2 fcac5280b65f3ccb921955ef6ec06a04 [0,0,0,1,0,0|2,0,0]=3 464 B13R2.3068 CC1=C(C(=O)CO1)OC2CCC2 37c6b37075a6421bc359baac493a0641 [0,0,0,1,0,0|2,0,0]=3 465 B13R2.3068 CC1=C(C(=O)CO1)OC2COC2 49a1fa110da5cde45820b880609ac6cc [0,0,0,1,0,0|3,0,0]=4 466 B13R2.10337 CC1CC1NC2C(=O)CCC2=O 31d23ba1c53cc0598e5f4c8512a43b90 [0,0,0,1,0,0|2,0,1]=4 467 B13R1.656 CCCCCN1CC(=O)NCC1C 3be4adbf2c3fc3c4bc6a07d3c981f130 [0,0,0,0,0,1|2,0,1]=4 468 B13R1.656 CCCCCN1CC(=O)NC[C@@H]1C 34a3508074def24600c11503ee57e1e8 [0,0,0,0,0,1|2,0,1]=4 469 B13R1.656 CCCCCN1CC(=O)NC[C@H]1C 7884759c15cdcbca2e6786f0047d65c8 [0,0,0,0,0,1|2,0,1]=4 470 B13R1.656 CCCCNc1cc(n[nH]c1=O)C 6459d4e38b2e310050dc7e02b23a8b22 [0,0,0,0,0,1|3,0,0]=4 471 B13R1.656 CCCCNc1nc(=O)[nH]cc1C b39ce167743262a2f87ed8c5068f7ecb [0,0,0,0,0,1|2,0,1]=4 472 B13R1.656 CCCCNc1nc(=O)[nH]nc1C cb4e243e6b047ac66f50dbe4f7988dd6 [0,0,0,0,0,1|3,0,0]=4 473 B13R1.656 CCCCNc1nc(c[nH]c1=O)C 5b9622d0540e50bd8c611429b54b9ec4 [0,0,0,0,0,1|2,0,1]=4 474 B13R1.656 CCOCCC1CN(CCC1=O)C 0aa2fed203e6484c35794340b7c1a42a [0,0,0,0,0,1|2,0,1]=4 475 B13R1.8919 CCCCNC1C(=O)CCCC1=O cdbe2c32792256af6f5984377ac2a379 [0,0,0,0,0,1|2,0,1]=4 476 B13R1.8919 CCCCNc1c(nc[nH]c1=O)C fddabe24e3eaca5fbe7962574572eac1 [0,0,0,0,0,1|2,0,1]=4 477 B13R1.8919 CCCCOC1C(=O)CCCC1=O 84a846eb5174579d4bc9aa43613b90b7 [0,0,0,0,0,1|2,0,1]=4 478 B13R1.8919 CCCCOc1c([nH]ccc1=O)C 2eb7d032b5c3b0610a2bda99ced6fb6f [0,0,0,0,0,1|1,0,2]=4 479 B13R1.8919 CCCCOc1c(occc1=O)C 9bfdcfbc12e34f8266d2c0e5b0956fa2 [0,0,0,0,0,1|1,0,2]=4 480 B10R0.24 CCCCCN(C=O)CCC 8646abf1faa254eafc312659290c903a [1,0,1,0,0,0|1,0,1]=4 481 B10R0.83 C/C=C(/C)\C(=O)NCCCC 314f761ea96ba13f21caea1c8a7e982d [1,0,1,0,0,0|1,0,1]=4 482 B10R0.83 C/C=C(\C)/C(=O)NCCCC a34c1c706afe0e7139547c6b1249b9bf [1,0,1,0,0,0|1,0,1]=4 483 B10R0.83 C=C(CC)C(=O)NCCCC 9ecf90067c139255ad96e608ea3e7b91 [1,0,1,0,0,0|1,0,1]=4 484 B10R0.83 C=C(CNCCC)C(=O)OC fb4a7803d03e100d7e27dd5d45eb104d [1,0,1,0,0,0|2,0,0]=4 485 B10R0.83 C=C(COCCC)C(=O)OC 490487f2711f1189a4736ecc4029db08 [1,0,1,0,0,0|2,0,0]=4 486 B10R0.83 CC=C(C)C(=O)NCCCC 8dfbbacc013338366622f8c0351b377a [1,0,1,0,0,0|1,0,1]=4 487 B10R0.83 CCC(=O)N(C)CCCCO 01bab45f3e00e9109ffb1b67006b1c07 [1,0,1,0,0,0|2,0,0]=4 488 B10R0.83 CCC(=O)N(C)CCCOC 27378d82f2f4545fe28136da5841684d [1,0,1,0,0,0|2,0,0]=4 489 B10R0.83 CCCCCC(=O)N(C)CC 5faccaab2625fd396450487f4aa68930 [1,0,1,0,0,0|1,0,0]=3 490 B10R0.83 CCCCCN(C)C(=O)CC b714f204559ab56e69d035e1a6eb55ad [1,0,1,0,0,0|1,0,0]=3 491 B10R0.83 CCCCCN(C)C(=O)CF e3f2e8eebfbb510b29c9a03c105cacb8 [1,0,1,0,0,0|2,0,0]=4 492 B10R0.83 CCCCCN(C)C(=O)CO 946b35461cb8548baeaecae13cbfac2d [1,0,1,0,0,0|2,0,0]=4 493 B10R0.83 CCCCCN(C)C(=O)CS d2f00e845bcb7d4cf07b5df7060fe3a8 [1,0,1,0,0,0|2,0,0]=4 494 B10R0.83 CCCCNC(=O)C(=O)CC f70364b47518d044d4168c14edef081c [1,0,1,0,0,0|2,0,0]=4 495 B10R0.83 CCCCNC(=O)N(C)CC 281153b38e5b0720f98fb991dbfaf202 [1,0,1,0,0,0|2,0,0]=4 496 B10R0.83 CCCCNC(C)C(=O)CC 0b8cc318bd42138f4fec3c3c2490d8fc [1,0,1,0,0,0|1,0,1]=4 497 B10R0.83 CCCCOC(C)C(=O)CC 6b72afd5b0a419f5df66b8ed25e56ddc [1,0,1,0,0,0|1,0,1]=4 498 B10R0.83 CCCNCC(=O)C(C)CC 421f60228013d880568584f5c10554a9 [1,0,1,0,0,0|1,0,1]=4 499 B10R0.83 CCCNCC(=O)N(C)CC 08c814e45b22c77f25830d1554a003c2 [1,0,1,0,0,0|2,0,0]=4 500 B10R0.83 CCCOCC(=O)C(C)CC be769a4148e4c3e25a48685acf6e03de [1,0,1,0,0,0|1,0,1]=4 501 B10R0.83 CCCOCC(=O)N(C)CC fba66d9a26ef78111ecea3ac55d52b9c [1,0,1,0,0,0|2,0,0]=4 502 B10R0.83 CCCSCC(=O)N(C)CC 657abe031aca5e49f408b4008ac5cca1 [1,0,1,0,0,0|2,0,0]=4 503 B10R0.83 CCN(C)C(=O)CCCCF 8347edb5410cec08d11260ec9777165b [1,0,1,0,0,0|2,0,0]=4 504 B10R0.83 CCN(C)C(=O)CCCCO 622ab477291ad551178150267858eda6 [1,0,1,0,0,0|2,0,0]=4 505 B10R0.83 CCN(C)C(=O)CCCCS cd15be06df481bd0d2643b2c228d1289 [1,0,1,0,0,0|2,0,0]=4 506 B10R0.83 CCN(C)C(=O)CCCOC 10f1ffa083d67261b48a4f0a95b9d007 [1,0,1,0,0,0|2,0,0]=4 507 B10R0.83 CCN(C)C(=O)CCCSC 9aeabc5921997e9989927d01ed2ab9b2 [1,0,1,0,0,0|2,0,0]=4 508 B10R0.83 CCOCCC(=O)N(C)CC 63ff32ab9e4178cf7e8288d7912ad643 [1,0,1,0,0,0|2,0,0]=4 509 B10R0.83 CCOCCN(C)C(=O)CC 648e2f7d04c6b92d5d49095b4484ab9d [1,0,1,0,0,0|2,0,0]=4 510 B10R0.83 CCSCCC(=O)N(C)CC 91d2f2b3adaca40666dd9be2071845cc [1,0,1,0,0,0|2,0,0]=4 511 B10R0.85 CCCCN(CC)C(=O)CC 5d38b3c23aabe3c68049c8de2efbbedd [1,0,1,0,0,0|1,0,1]=4 512 B10R0.86 C/C=C(\OCCCC)/C(=O)O adf87a46a4c97bdee6e27cc804da1a77 [1,0,1,0,0,0|2,0,0]=4 513 B10R0.86 CCCCCN(C=O)C(C)C f8b9cb176229a2f30a11b26203dd787e [1,0,1,0,0,0|1,0,1]=4 514 B10R0.1 C/C=C/C(=O)NCCCCC 2f321928cc740d5db12c914a5b6ab6d1 [1,0,1,0,0,0|1,0,1]=4 515 B10R0.1 C=CCC(=O)NCCCCC 60936a96866426d775857d450c7aa644 [1,0,1,0,0,0|1,0,1]=4 516 B10R0.1 CCCC(=O)NCCCCCl f671a3330fe2c47b146f725c22547753 [1,0,1,0,0,0|2,0,0]=4 517 B10R0.1 CCCC(=O)NCCCCO 5dcc5934786fd672ded2e88e6ca59c07 [1,0,1,0,0,0|2,0,0]=4 518 B10R0.1 CCCC(=O)NCCCCS 4ffd987e848f5ce52a73d93f5062b35c [1,0,1,0,0,0|2,0,0]=4 519 B10R0.1 CCCC(=O)NCCCOC 7712654c76c69518ffc7db7f1c70c47f [1,0,1,0,0,0|2,0,0]=4 520 B10R0.1 CCCC(=O)NCCCSC 0162770f8d54f07949cd04a73d25d9ee [1,0,1,0,0,0|2,0,0]=4 521 B10R0.1 CCCC(=O)NCCOCC 79d9b92616c769d2cdcd747927c60328 [1,0,1,0,0,0|2,0,0]=4 522 B10R0.1 CCCC(=O)NCCSCC 80b0e19972a11cccc458980ea52b2299 [1,0,1,0,0,0|2,0,0]=4 523 B10R0.1 CCCC(=O)OCCOCC 9a285a2c378d3b3e5e911c97d35a22b7 [1,0,1,0,0,0|2,0,0]=4 524 B10R0.1 CCCCCCN(C)CC=O a652a4442726a0be8ac2fe96473bb226 [1,0,1,0,0,0|1,0,1]=4 525 B10R0.1 CCCCCNC(=O)CC=O 36f9b6b1d9882210ce52718d5f372ace [1,0,1,0,0,0|2,0,0]=4 526 B10R0.1 CCCCCNC(=O)CCC cd3617b761f054cae655d3c214537a01 [1,0,1,0,0,0|1,0,0]=3 527 B10R0.1 CCCCCNC(=O)CCF 8f55dcb051c9e4fa4d8e7353d886739d [1,0,1,0,0,0|2,0,0]=4 528 B10R0.1 CCCCCNC(=O)CCO e4a8972fa724b6f0f9b4d6b3c835d2fb [1,0,1,0,0,0|2,0,0]=4 529 B10R0.1 CCCCCNC(=O)CCS 3733c740ac8be76287971250e938eadf [1,0,1,0,0,0|2,0,0]=4 530 B10R0.1 CCCCCNC(=O)COC 3c827a5b8568a226ab9d7a96910886e4 [1,0,1,0,0,0|2,0,0]=4 531 B10R0.1 CCCCCNC(=O)CSC a633d95815fa33f04c44be165a312304 [1,0,1,0,0,0|2,0,0]=4 532 B10R0.1 CCCCCOC(=S)CCC e70fcd071a998201c96ff7af83897208 [1,0,1,0,0,0|1,1,0]=4 533 B10R0.1 CCCCNCC(=O)CCC 453fddd4efd403580a47150fb6a1b943 [1,0,1,0,0,0|1,0,1]=4 534 B10R0.1 CCCCOCC(=O)CCC 3c18382cf685be3b48662cc000c9f11f [1,0,1,0,0,0|1,0,1]=4 535 B10R0.1 CCCNCOC(=O)CCC 38cbf3506e155a3e433f65aa13f4e89b [1,0,1,0,0,0|2,0,0]=4 536 B10R0.1 CCCOCOC(=O)CCC ae34f309fddde79fb1b78768c738001e [1,0,1,0,0,0|2,0,0]=4 537 B10R0.71 CCCC/C=C/CNCCC b5846262769f4576898e24ec596816c8 [1,0,1,0,0,0|1,0,1]=4 538 B10R0.71 CCCC/C=C/COCCC 07c08b56120c97240fcfc821b0cfaf7e [1,0,1,0,0,0|1,0,1]=4 539 B10R0.71 CCCC/C=C\CCOCC c0b86be5a318325f35923a807a0da0e5 [1,0,1,0,0,0|1,0,1]=4 540 B10R0.71 CCCC/C=C\CNCCC 1ebafcf76c30e339500b071d8b77b007 [1,0,1,0,0,0|1,0,1]=4 541 B10R0.71 CCCC/C=C\COCCC cacd342e00bdd06408172e2c8226f9fe [1,0,1,0,0,0|1,0,1]=4 542 B10R0.71 CCCCC/C=C/COCC d869a9967b36862cc7ff5868403bb25d [1,0,1,0,0,0|1,0,1]=4 543 B10R0.71 CCCCCCNCCC=O 7011a6760ad05bee90b4b5fe1ddade10 [1,0,1,0,0,0|1,0,1]=4 544 B10R0.71 CCCCCCOCCC=O 52e11fbfda6e705332503dbf6ca57c21 [1,0,1,0,0,0|1,0,1]=4 545 B10R0.71 CCCCCNCCCC=O 6680464fa50f8e11fa1a82d02cb758f7 [1,0,1,0,0,0|1,0,1]=4 546 B10R0.71 CCCCCOCCCC=O 37cad7ef5e51a341a4958cbb40245746 [1,0,1,0,0,0|1,0,1]=4 547 B10R0.91 C/C=C/CC(=O)NCCCC 36087e9f780b7b5769d5a09c52717782 [1,0,1,0,0,0|1,0,1]=4 548 B10R0.91 C=CCCC(=O)NCCCC c179eac9e1b3e18e9a6dfaa5dad688c2 [1,0,1,0,0,0|1,0,1]=4 549 B10R0.91 C=CCCN(C)CCCCC 600d11d4b28de1fa6d1d48bd67106e34 [1,0,1,0,0,0|2,0,0]=4 550 B10R0.91 CCCCCC(=O)NCCC 476273c2f4455ec9a0886335ed7ef341 [1,0,1,0,0,0|1,0,1]=4 551 B10R0.91 CCCCCC(C)NCC=O 150b09f14e530a104818daa6781cb9de [1,0,1,0,0,0|1,0,1]=4 552 B10R0.91 CCCCCC(C)OCC=O b8c5585eaae6e000325f96773525d1b7 [1,0,1,0,0,0|1,0,1]=4 553 B10R0.91 CCCCCN(C)CCC=O 58a73274730eb7abb534529102b987b1 [1,0,1,0,0,0|1,0,0]=3 554 B10R0.91 CCCCC[C@@H](C)OCC=O 5d597290901426621601c215c0b29b48 [1,0,1,0,0,0|1,0,1]=4 555 B10R0.91 CCCCC[C@H](C)NCC=O 911cb71997224f1438cb59b3616f9c1c [1,0,1,0,0,0|1,0,1]=4 556 B10R0.91 CCCCC[C@H](C)OCC=O a46961302ad7e0a9ddd3f577a4f840a9 [1,0,1,0,0,0|1,0,1]=4 557 B10R0.91 CCCCNC(=O)CCC=O 16ee83c32f77bd6cec353975767c82cb [1,0,1,0,0,0|2,0,0]=4 558 B10R0.91 CCCCNC(=O)CCCC 5b6c1a774ebc9cf6b3cca95003cc944e [1,0,1,0,0,0|1,0,1]=4 559 B10R0.91 CCCCNC(=O)CCOC 6f0c7655b0241fead5cc4be83519576f [1,0,1,0,0,0|2,0,0]=4 560 B10R0.91 CCCCNC(=O)CCSC 6faaa951076ffc1f5066685857593ae9 [1,0,1,0,0,0|2,0,0]=4 561 B10R0.91 CCCNCC(=O)CCSC e99b18891702742d95fcbf5b0385ae01 [1,0,1,0,0,0|2,0,0]=4 562 B10R0.91 CCCOCC(=O)CCSC 804bf7535409b65ab8bc61b4a21bc9b3 [1,0,1,0,0,0|2,0,0]=4 563 B10R0.91 CCOCCN(C)CCC=O d8a86fd24c0ccfc1b480d87d5a80edcf [1,0,1,0,0,0|2,0,0]=4 564 B10R0.91 CN(CCC=O)CCCCO 97ca578917369248b7724937fffa36d2 [1,0,1,0,0,0|2,0,0]=4 565 B10R0.91 COCCCN(C)CCC=O adcbd8708d0a3d100047e865529cabc4 [1,0,1,0,0,0|2,0,0]=4 566 B10R0.17 CCCCN(C(=O)C)C(C)C d90320039e33fa2c6fedd5ab9efef7c6 [1,0,1,0,0,0|1,0,1]=4 567 B10R1.29 CCCOC1=CCCC1=O fadefa381d9ba1fee3a737cdc60aa0fe [2,0,0,0,0,0|1,0,0]=3 568 B10R1.29 CCOCC1=CCCC1=O 1b35cb27c216af6dbf9fafa3e8334a80 [2,0,0,0,0,0|1,0,0]=3 569 B10R1.29 COCOC1=CCCC1=O 72dcab3afd444c0c1c7d6d6795677127 [2,0,0,0,0,0|2,0,0]=4 570 B10R1.29 CSCOC1=CCCC1=O ece18d604a840db1de6af33c09890bd3 [2,0,0,0,0,0|2,0,0]=4 571 B10R1.29 O=C1CCC=C1COCF af5d5b1ac108026b75e1a6a0b5e6d92d [2,0,0,0,0,0|2,0,0]=4 572 B10R1.29 O=C1CCC=C1OCCF e8bccd1eeb19bbc6a76ec3435be9a809 [2,0,0,0,0,0|2,0,0]=4 573 B10R1.29 O=C1CCC=C1OCCS 553434a343daa8d472856f456e3c55b3 [2,0,0,0,0,0|2,0,0]=4 574 B10R1.187 CC1=C(C(=O)CC1)OCF 4fa14705d9ae2e6d4a0c4388a5041f63 [2,0,0,0,0,0|2,0,0]=4 575 B10R1.187 CCOC1=C(CCC1=O)C 877574aefbd7a31815c4e68472764f4f [2,0,0,0,0,0|1,0,0]=3 576 B10R1.187 CCOC1=C(COC1=O)C c6fae95d7fd3abc2a42c4629036483f4 [2,0,0,0,0,0|2,0,0]=4 577 B10R1.187 CCOC1=C(OCC1=O)C bcb1ae7900548a4a549377eafa9305ca [2,0,0,0,0,0|2,0,0]=4 578 B12R0.127 CCCCCN(C(=O)CC)C(C)C a52c5e938a74e6bbe0eaba192837e9dd [0,1,1,0,0,0|1,0,1]=4 579 B12R0.200 CCCCCOC(CC)C(=O)CC dfdc1e0c545f7cd370a07ccd10636640 [0,1,1,0,0,0|0,0,2]=4 580 B12R0.246 CCCCCN(CCC)C(=O)CC a130db9298ad58383ebb233d22f9ab46 [0,1,1,0,0,0|1,0,1]=4 581 B12R0.246 CCCCCN(CCO)C(=O)CC 2a3420f107bb67c8298a18b582b396e4 [0,1,1,0,0,0|1,0,1]=4 582 B12R0.47 C=CCCCC(=O)NCCCCC 35f7b86e3b7179730738061e0bc46c65 [0,1,1,0,0,0|1,0,1]=4 583 B12R0.47 C=CCCNC(=O)/C=C/CCCC c6737d947e1f8877aaeb11b10aef8eb5 [0,1,1,0,0,0|0,0,2]=4 584 B12R0.47 C=CCCNC(=O)C=CCCCC 7f32dd2974f40ffcb2346383a0a9f6c5 [0,1,1,0,0,0|0,0,2]=4 585 B12R0.47 C=CCCNC(=O)CCCCCC c330d4c5ae68fa976499c1601e8ba2fa [0,1,1,0,0,0|0,0,2]=4 586 B12R0.47 C=CCCNC(=O)NCCCCC c0cfef3dd37f161d4a1e8548504a9613 [0,1,1,0,0,0|1,0,1]=4 587 B12R0.47 C=CCOCC(=O)NCCCCC 9a0459c63f8525b2025a8268e820c0f0 [0,1,1,0,0,0|1,0,1]=4 588 B12R0.47 C=CCSCC(=O)NCCCCC 6a21d1b536aa843d2e03601ece6a0a26 [0,1,1,0,0,0|1,0,1]=4 589 B12R0.47 CC#CCCC(=O)NCCCCC b7a1665da6cbad6e4c9005283d08bae4 [0,1,1,0,0,0|1,0,1]=4 590 B12R0.47 CC/C=C/CC(=O)NCCCCC 940f00cc07c5e329d645b46275494768 [0,1,1,0,0,0|1,0,1]=4 591 B12R0.47 CC/C=C\CC(=O)NCCCCC ffa7f4f086207d8f8ec7583d6ff6101f [0,1,1,0,0,0|1,0,1]=4 592 B12R0.47 CC=CCCC(=O)NCCCCC 33d88b32e41bd210f1d49cf481725af0 [0,1,1,0,0,0|1,0,0]=3 593 B12R0.47 CC=CCCC(=O)NCCCCCl 8740597159ecc7d4c6da682ab3bd6959 [0,1,1,0,0,0|2,0,0]=4 594 B12R0.47 CC=CCCC(=O)NCCCCO 9e1a1aefa754b98c993c2eb71d7bfc8c [0,1,1,0,0,0|2,0,0]=4 595 B12R0.47 CC=CCCC(=O)NCCCCS 82f588f252c08c7a202b94273cd2acbc [0,1,1,0,0,0|2,0,0]=4 596 B12R0.47 CC=CCCC(=O)NCCCOC 39f4e3cbd133d5e3f93d6542122903cd [0,1,1,0,0,0|2,0,0]=4 597 B12R0.47 CC=CCCC(=O)NCCCSC 99b0c056e10a3e719246c8b92fb1f0ec [0,1,1,0,0,0|2,0,0]=4 598 B12R0.47 CC=CCCC(=O)NCCOCC be63fce1158b13958940301e3d2f137a [0,1,1,0,0,0|2,0,0]=4 599 B12R0.47 CC=CCCC(=O)NCCSCC 31238b658e6724a5d7ddb8d3abaf77f7 [0,1,1,0,0,0|2,0,0]=4 600 B12R0.47 CC=CCNC(=O)/C=C/CCCC 44a48827d9e0454e6d55cb49676e9153 [0,1,1,0,0,0|0,0,2]=4 601 B12R0.47 CC=CCNC(=O)C=CCCCC d7146c78d492d419150039916e6a45b7 [0,1,1,0,0,0|0,0,2]=4 602 B12R0.47 CC=CCNC(=O)CCCCCC 3e83eef6c2da34221bc78731aa393438 [0,1,1,0,0,0|0,0,2]=4 603 B12R0.47 CC=CCNC(=O)NCCCCC 7a1aec1b76552c50c77015175403e34b [0,1,1,0,0,0|1,0,1]=4 604 B12R0.47 CCC=CCC(=O)NCCCCC 5e686aa7b1901d151515114dc104c375 [0,1,1,0,0,0|1,0,1]=4 605 B12R0.47 CCCC/C=C/C(=O)NCCCC fc18913fe6c43f51a23391bf0570de5a [0,1,1,0,0,0|0,0,2]=4 606 B12R0.47 CCCC/C=C/C(=O)NCCOC 836e9bdcb5c25d29672a1bf221e222d0 [0,1,1,0,0,0|1,0,1]=4 607 B12R0.47 CCCC/C=C/C(=O)NCCSC 833c53ee1fe66b69771f2a08f9266357 [0,1,1,0,0,0|1,0,1]=4 608 B12R0.47 CCCCC=CC(=O)NCCCC af1f565c2422d5c4cc467057db7aeb3d [0,1,1,0,0,0|0,0,2]=4 609 B12R0.47 CCCCC=CC(=O)NCCOC 3a4698610640372d98165a0d9dd97e36 [0,1,1,0,0,0|1,0,1]=4 610 B12R0.47 CCCCC=CC(=O)NCCSC 9d3ee9fd07556c1c523ca9327050f754 [0,1,1,0,0,0|1,0,1]=4 611 B12R0.47 CCCCCCC(=O)NCCCC 950215fe406f48df6ea21c4bbcd323ee [0,1,1,0,0,0|0,0,2]=4 612 B12R0.47 CCCCCCC(=O)NCCOC 4518ab08a03508ab64ca0bd9cde44d77 [0,1,1,0,0,0|1,0,1]=4 613 B12R0.47 CCCCCCC(=O)NCCSC 1f716e995779a8d5cbc0c42739af4a81 [0,1,1,0,0,0|1,0,1]=4 614 B12R0.47 CCCCCCC(C)COCC=O 599a7fa50d6d931491c3cabea9b8ce17 [0,1,1,0,0,0|0,0,2]=4 615 B12R0.47 CCCCCCC(C)NCCC=O b4937d869aa2ec778d30df9bd189c3e6 [0,1,1,0,0,0|0,0,2]=4 616 B12R0.47 CCCCCCC(C)OCCC=O d7632bbd1651e3ff5094343da38ff0fd [0,1,1,0,0,0|0,0,2]=4 617 B12R0.47 CCCCCCN(C)CCCC=O 68ce51d3227d09174d468a9ca859b36f [0,1,1,0,0,0|1,0,1]=4 618 B12R0.47 CCCCCC[C@@H](C)NCCC=O 3b28eeaf84b3e36a70210e188dffc31e [0,1,1,0,0,0|0,0,2]=4 619 B12R0.47 CCCCCC[C@@H](C)OCCC=O be2706c793b54d38035c16c0c6593765 [0,1,1,0,0,0|0,0,2]=4 620 B12R0.47 CCCCCC[C@H](C)NCCC=O ac7fa2e7c604d1ceb6cc6a924854cf12 [0,1,1,0,0,0|0,0,2]=4 621 B12R0.47 CCCCCC[C@H](C)OCCC=O fb4406a2cf7d910f370c91c6ef945a14 [0,1,1,0,0,0|0,0,2]=4 622 B12R0.47 CCCCCNC(=O)CCCC=O b09ad783296d346931cf98a6dd1ae856 [0,1,1,0,0,0|2,0,0]=4 623 B12R0.47 CCCCCNC(=O)CCCCC b5fe642543dcb5e20a67f916a9dcc468 [0,1,1,0,0,0|1,0,1]=4 624 B12R0.47 CCCCCNC(=O)CCCCF d7d479200460399b62b9318dfc89379f [0,1,1,0,0,0|1,0,1]=4 625 B12R0.47 CCCCCNC(=O)CCCCO c1212cbafc3a233aca40a5c966281589 [0,1,1,0,0,0|1,0,1]=4 626 B12R0.47 CCCCCNC(=O)CCCCS 974a6ffc937bf1506409188a7705deb2 [0,1,1,0,0,0|1,0,1]=4 627 B12R0.47 CCCCCNC(=O)CCCOC c2906328fee3052816cd637263b1222e [0,1,1,0,0,0|1,0,1]=4 628 B12R0.47 CCCCCNC(=O)CCCSC bd5fb2b8eff18d6db3902ac33e8b45a4 [0,1,1,0,0,0|1,0,1]=4 629 B12R0.47 CCCCCNC(=O)CCOCC cdfb470aab8a9345824c0f92b9abe48a [0,1,1,0,0,0|1,0,1]=4 630 B12R0.47 CCCCCNC(=O)CCSCC 8f07a2091df72753d74d1e8db3695c39 [0,1,1,0,0,0|1,0,1]=4 631 B12R0.47 CCCCCNC(=O)CCSSC 330b94fc213faef96d1bd8bd9b9654cf [0,1,1,0,0,0|2,0,0]=4 632 B12R0.47 CCCCCNC(=O)CNCCC 22592a6e4195a9c61bbaf28c46ee764e [0,1,1,0,0,0|1,0,1]=4 633 B12R0.47 CCCCCNC(=O)COCCC 747800b86160b7cb84a42839beab95d1 [0,1,1,0,0,0|1,0,1]=4 634 B12R0.47 CCCCCNC(=O)COCOC b0ff591ee563253dbd330daf468b94e0 [0,1,1,0,0,0|2,0,0]=4 635 B12R0.47 CCCCCNC(=O)CSCCC 3f18399479ae3f58f822f80722554d8c [0,1,1,0,0,0|1,0,1]=4 636 B12R0.47 CCCCCNC(=O)NCCCC 6be9e272633a1eb6f56b2d0608a5a7ae [0,1,1,0,0,0|1,0,1]=4 637 B12R0.47 CCCCCNC(=O)NCCOC 7a40fd3265cd7bef22dd86f95afc26ee [0,1,1,0,0,0|2,0,0]=4 638 B12R0.47 CCCCCNC(=O)NCCSC 3eed7de4e6aabcce5d785a2c6d22ae72 [0,1,1,0,0,0|2,0,0]=4 639 B12R0.95 C/C=C/CC(=O)NCCCC(C)C 432695d4528b415d8fab52d720c7325a [0,1,1,0,0,0|1,0,1]=4 640 B12R0.95 C=CCCC(=O)NCCCC(C)C 689b81b32b8f7d420ec3402d0dca2b62 [0,1,1,0,0,0|1,0,1]=4 641 B12R0.95 CC(C)CCCNC(=O)CCC=O 701cafe88ed505879e33b436909ef129 [0,1,1,0,0,0|2,0,0]=4 642 B12R0.95 CCCCC(=O)NCCCC(C)C 4cfbd8cd4787b68f67725c2f6395b859 [0,1,1,0,0,0|1,0,1]=4 643 B12R0.95 COCCC(=O)NCCCC(C)C 44c3bb2306e35aae764faa470f8d793e [0,1,1,0,0,0|2,0,0]=4 644 B12R0.95 CSCCC(=O)NCCCC(C)C fe065b4e3051b1be70442927276cd6e9 [0,1,1,0,0,0|2,0,0]=4 645 B12R0.101 C/C=C/CC(=O)NCC(O)CCC 66a0fd55cc93adee423d0758cffcd1f8 [0,1,1,0,0,0|1,0,1]=4 646 B12R0.101 C=CCCC(=O)NCC(O)CCC 7c32ee7684df7a119e9dc807f5266e01 [0,1,1,0,0,0|1,0,1]=4 647 B12R0.101 CCCC(O)CNC(=O)CCC=O 3a15c06586915bab067c962f87246ef0 [0,1,1,0,0,0|2,0,0]=4 648 B12R0.101 CCCC(O)CNC(=O)CCOC e65b1eb279f9a92a1d1cbe18f85d3ac1 [0,1,1,0,0,0|2,0,0]=4 649 B12R0.101 CCCC(O)CNC(=O)CCSC 6af26378a85589f08cbfc5b55d86746c [0,1,1,0,0,0|2,0,0]=4 650 B12R0.101 CCCCC(=O)NCC(O)CCC cc2f1e28246c7e8e1de091afdced28b4 [0,1,1,0,0,0|1,0,1]=4 651 B12R0.102 C/C=C/CC(=O)NCCC(C)CC 9b8b143b1969ac92aa2847eac4dcce3a [0,1,1,0,0,0|1,0,1]=4 652 B12R0.102 C=CCCC(=O)NCCC(C)CC 6eada0756c2663cfacb47b5f3bc0af6c [0,1,1,0,0,0|1,0,1]=4 653 B12R0.102 CCC(C)CCNC(=O)CCC=O f4605a8137dd858875c65df9749a1746 [0,1,1,0,0,0|2,0,0]=4 654 B12R0.102 CCC(C)CCNC(=O)CCOC a44de6d4a8d32122a33bd453bf85ae19 [0,1,1,0,0,0|2,0,0]=4 655 B12R0.102 CCC(C)CCNC(=O)CCSC 6edf7b18823512935d0930adcefee25d [0,1,1,0,0,0|2,0,0]=4 656 B12R0.102 CCCCC(=O)NCCC(C)CC 4f52569bb623d7f775801ee22b5dd215 [0,1,1,0,0,0|1,0,1]=4 657 B12R0.103 C/C=C/CC(=O)NC(C)CCCC e57b8316a34c8c1b8231505c4c562acb [0,1,1,0,0,0|1,0,1]=4 658 B12R0.103 C/C=C/CC(=O)N[C@H](C)CCCC b686ee90c8646dc7973ab41936e347ea [0,1,1,0,0,0|1,0,1]=4 659 B12R0.103 C=CCCC(=O)NC(C)CCCC fc5f1180fdb94ef0a54dfeb95ad1d99c [0,1,1,0,0,0|1,0,1]=4 660 B12R0.103 C=CCCC(=O)N[C@H](C)CCCC ccd4d509aec37cad66f737d298e8834d [0,1,1,0,0,0|1,0,1]=4 661 B12R0.103 CCCCC(=O)NC(C)CCCC 53fcf1ea0760468784741571f64c5305 [0,1,1,0,0,0|1,0,1]=4 662 B12R0.103 CCCCC(=O)N[C@H](C)CCCC 5c605c84e87a34425b647c9c1f530254 [0,1,1,0,0,0|1,0,1]=4 663 B12R0.103 CCCCC(C)NC(=O)CCC=O fda13130ce24398d9f2228c943027e5b [0,1,1,0,0,0|2,0,0]=4 664 B12R0.103 CCCCC(C)NC(=O)CCOC 222201af1c0579ec57513c1a23bc0555 [0,1,1,0,0,0|2,0,0]=4 665 B12R0.103 CCCCC(C)NC(=O)CCSC 378d031e14f679c34dd51c89563f96bc [0,1,1,0,0,0|2,0,0]=4 666 B12R0.103 CCCC[C@@H](C)NC(=O)CCC=O d1daf8da6a47545caafc8f37b157ae23 [0,1,1,0,0,0|2,0,0]=4 667 B12R0.103 CCCC[C@@H](C)NC(=O)CCOC 86e0969bd904ab193036f59a295fc706 [0,1,1,0,0,0|2,0,0]=4 668 B12R0.103 CCCC[C@@H](C)NC(=O)CCSC ea4bc1ac2f1d99dec95f40840ccae706 [0,1,1,0,0,0|2,0,0]=4 669 B12R0.113 C=CC(C)CC(=O)NCCCCC 0927056d14cb9f102ce13f4eb5f4e0a9 [0,1,1,0,0,0|1,0,1]=4 670 B12R0.113 CCCCCNC(=O)CC(C)CC f7055e01481448307fbb56c6ba0a086b [0,1,1,0,0,0|1,0,1]=4 671 B12R0.113 CCCCCNC(=O)CC(C)OC 3ed000ebf905477fcc975d6daf1444bc [0,1,1,0,0,0|2,0,0]=4 672 B12R0.113 CCCCCNC(=O)CC(O)CC bec883dd847725cd1242dfce46146527 [0,1,1,0,0,0|1,0,1]=4 673 B12R0.113 CCCCCNC(=O)C[C@@H](C)CC 6828e80832fb96a9cada9a521fe40da4 [0,1,1,0,0,0|1,0,1]=4 674 B12R0.113 CCCCCNC(=O)C[C@@H](O)CC af78e84a1cad93172d8bf487f9ae9beb [0,1,1,0,0,0|1,0,1]=4 675 B12R0.113 CCCCCNC(=O)C[C@H](C)CC 7e5866c799cf610387e8027c8b2d0ed1 [0,1,1,0,0,0|1,0,1]=4 676 B12R0.113 CCCCCNC(=O)C[C@H](O)CC b1954248f57a23c226e64fa5f3efef57 [0,1,1,0,0,0|1,0,1]=4 677 B12R0.114 CCCCCNC(=O)C(O)CCC 43466e53c70282100af78253aacbb998 [0,1,1,0,0,0|1,0,1]=4 678 B12R0.114 CCCCCNC(=O)C(O)CSC 9412d7fbe4c03f75bf67fd92c6137186 [0,1,1,0,0,0|2,0,0]=4 679 B12R0.114 CCCCCNC(=O)[C@@H](O)CCC 126a01baa38526ca0c5d75c773791486 [0,1,1,0,0,0|1,0,1]=4 680 B12R0.114 CCCCCNC(=O)[C@H](O)CCC 3dcee0f9908373d031a17ff48e46a6ec [0,1,1,0,0,0|1,0,1]=4 681 B12R0.206 C/C=C/CC(=O)NCCCCCC bde448a86bde6ddb2d7b353249e71a1d [0,1,1,0,0,0|0,0,2]=4 682 B12R0.206 C/C=C/CC(=O)NCCCCCCl 8080062013d122064ea92811b7976ce0 [0,1,1,0,0,0|1,0,1]=4 683 B12R0.206 C/C=C/CC(=O)NCCCCCO 0559313d3d1800d293f14c500b5660ae [0,1,1,0,0,0|1,0,1]=4 684 B12R0.206 C/C=C/CC(=O)NCCCCOC 89a948f878072f139144bc942e1328a7 [0,1,1,0,0,0|1,0,1]=4 685 B12R0.206 C/C=C/CC(=O)NCCCCSC 1a989b6f7dc69e22dc074aa01f38985b [0,1,1,0,0,0|1,0,1]=4 686 B12R0.206 C/C=C/CC(=O)NCCCOCC 2800b634f7870c12c4b90ef3fea0c92b [0,1,1,0,0,0|1,0,1]=4 687 B12R0.206 C/C=C/CC(=O)NCCOCCC 2f869decbd6d357be588973eaf7af4b3 [0,1,1,0,0,0|1,0,1]=4 688 B12R0.206 C=CCCC(=O)NCCCCCC 8406191e4b9ad7d977a55624246c6d5d [0,1,1,0,0,0|0,0,2]=4 689 B12R0.206 C=CCCC(=O)NCCCCCCl 887c5bafbdd4ba409650183b3558af65 [0,1,1,0,0,0|1,0,1]=4 690 B12R0.206 C=CCCC(=O)NCCCCCO 8fe0c435993e0d2865ea9ae145dd15d6 [0,1,1,0,0,0|1,0,1]=4 691 B12R0.206 C=CCCC(=O)NCCCCOC f8f6011eabc4d926b63339915545ce76 [0,1,1,0,0,0|1,0,1]=4 692 B12R0.206 C=CCCC(=O)NCCCCSC 266c6aa7a07256e51b22e0233dfdef02 [0,1,1,0,0,0|1,0,1]=4 693 B12R0.206 C=CCCC(=O)NCCCOCC 5b9443eed9ace1daebc3d00dc8e3b5ff [0,1,1,0,0,0|1,0,1]=4 694 B12R0.206 C=CCCC(=O)NCCOCCC 705664abbf1564ed7d3b282a6174169f [0,1,1,0,0,0|1,0,1]=4 695 B12R0.206 CCCCC(=O)NCCCCCCl dcdbba3f08bf0589d9296e6e29d70622 [0,1,1,0,0,0|1,0,1]=4 696 B12R0.206 CCCCC(=O)NCCCCCO 708187ab56d55406ad6cd96937fc37bb [0,1,1,0,0,0|1,0,1]=4 697 B12R0.206 CCCCC(=O)NCCCCOC c4313a1c3e6c2aebdb57cb893af968e7 [0,1,1,0,0,0|1,0,1]=4 698 B12R0.206 CCCCC(=O)NCCCCSC 7eb15abe44572fb34f98eb85f223c298 [0,1,1,0,0,0|1,0,1]=4 699 B12R0.206 CCCCC(=O)NCCCOCC 1ab2a8b6d814674961e457a217ed670b [0,1,1,0,0,0|1,0,1]=4 700 B12R0.206 CCCCC(=O)NCCOCCC 6a024cb730827e4472b09220771d10fd [0,1,1,0,0,0|1,0,1]=4 701 B12R0.206 CCCCC/C=C/C(=O)NCCC 228634eae84737332c0778e1f0951576 [0,1,1,0,0,0|1,0,1]=4 702 B12R0.206 CCCCCCCN(C)CCC=O 01e91f9533dd137931d637c41a3bbcf6 [0,1,1,0,0,0|1,0,1]=4 703 B12R0.206 CCCCCCNC(=O)CCC=O 2fb1d197b8a4a365f4a484d3a35c8222 [0,1,1,0,0,0|1,0,1]=4 704 B12R0.206 CCCCCCNC(=O)CCCC 70acaae11b2c6b1fd45feafe6ffa5b78 [0,1,1,0,0,0|0,0,2]=4 705 B12R0.206 CCCCCCNC(=O)CCOC b4c31b8a66eba6314d589b98dd099b43 [0,1,1,0,0,0|1,0,1]=4 706 B12R0.206 CCCCCCNC(=O)CCSC 59d90d84443cb158320da85f181ac89e [0,1,1,0,0,0|1,0,1]=4 707 B12R0.206 CCCCCNCC(=O)CCSC b8660bc8e2dae8d3245382c0aefef5b9 [0,1,1,0,0,0|1,0,1]=4 708 B12R0.206 CCCCCOCC(=O)CCSC e0465f9fcf86d30a9a9b3a436d617fe7 [0,1,1,0,0,0|1,0,1]=4 709 B12R0.206 CCCCNCOC(=O)CCCC 1bafb601242da8a8d946db52f1bbeaf0 [0,1,1,0,0,0|1,0,1]=4 710 B12R0.206 CCCCOCOC(=O)CCCC fba6deb132e6e7f7f7861343ba29d758 [0,1,1,0,0,0|1,0,1]=4 711 B12R0.206 CCCOCCNC(=O)CCC=O 6e3b3a9f67e1921e2ccb53c7370e8b28 [0,1,1,0,0,0|2,0,0]=4 712 B12R0.206 CCCOCCNC(=O)CCOC 9ef45dfe14d53154c9b4ae5291ccc7cf [0,1,1,0,0,0|2,0,0]=4 713 B12R0.206 CCCOCCNC(=O)CCSC a1a72933c38d4fbf2bf13bd69a5128b5 [0,1,1,0,0,0|2,0,0]=4 714 B12R0.206 CCOCCCNC(=O)CCC=O 57348aef508b1093db78741251a1215a [0,1,1,0,0,0|2,0,0]=4 715 B12R0.206 CCOCCCNC(=O)CCOC 4c679ef267eccebcc7ff027fb681e972 [0,1,1,0,0,0|2,0,0]=4 716 B12R0.206 CCOCCCNC(=O)CCSC 9680e4c55e1adb37fcd81bf772481581 [0,1,1,0,0,0|2,0,0]=4 717 B12R0.206 CN(CCC=O)CCCCCCO f5e00b2b704ed5fbfc963c7d4da3b0b4 [0,1,1,0,0,0|1,0,1]=4 718 B12R0.206 COCCC(=O)NCCCCCCl d4cdfb966c2192618599415da7156c16 [0,1,1,0,0,0|2,0,0]=4 719 B12R0.206 COCCC(=O)NCCCCCO 499bff9f059a4e192e1acd1978967440 [0,1,1,0,0,0|2,0,0]=4 720 B12R0.206 COCCC(=O)NCCCCSC 824f25fdb226cc8962b57df9576b629e [0,1,1,0,0,0|2,0,0]=4 721 B12R0.206 COCCCCNC(=O)CCC=O 2fdbb2220bda0d3e139c9c4987f79395 [0,1,1,0,0,0|2,0,0]=4 722 B12R0.206 COCCCCNC(=O)CCOC c1311a074c8f6ef84e40ed5ffbb0bded [0,1,1,0,0,0|2,0,0]=4 723 B12R0.206 COCCCCNC(=O)CCSC 1b0e15e166c843778941a903c5ed8f31 [0,1,1,0,0,0|2,0,0]=4 724 B12R0.206 CSCCC(=O)NCCCCCCl 9c7b20e7bd3e3d93789bccffc2983428 [0,1,1,0,0,0|2,0,0]=4 725 B12R0.206 CSCCC(=O)NCCCCCO 07fac50a534e664fca659dc46519c4fb [0,1,1,0,0,0|2,0,0]=4 726 B12R0.206 CSCCCCNC(=O)CCC=O ef0b2acfd7352aca16d9b1e653449b13 [0,1,1,0,0,0|2,0,0]=4 727 B12R0.206 CSCCCCNC(=O)CCSC b467793c0045061e3693e195b769accc [0,1,1,0,0,0|2,0,0]=4 728 B12R0.206 O=CCCC(=O)NCCCCCCl b4c9023c3d229ec81ad9176c61111c54 [0,1,1,0,0,0|2,0,0]=4 729 B12R0.206 O=CCCC(=O)NCCCCCO bae5863f69a8739758b243bbc52e5599 [0,1,1,0,0,0|2,0,0]=4 730 B12R0.255 C=C(C)CCC(=O)NCCCCC 8beba77f73ae32595fee3681e6f3c6e2 [0,1,1,0,0,0|1,0,0]=3 731 B12R0.255 C=C(C)CCC(=O)NCCCCCl de4b21f447b3d103e55189d48a889fc5 [0,1,1,0,0,0|2,0,0]=4 732 B12R0.255 C=C(C)CCC(=O)NCCCCO eb41e2f5952140ca49e6365791af64ff [0,1,1,0,0,0|2,0,0]=4 733 B12R0.255 C=C(C)CCC(=O)NCCCCS 8ce405856bd3ff59c98c385f117af4f5 [0,1,1,0,0,0|2,0,0]=4 734 B12R0.255 C=C(C)CCC(=O)NCCCOC 03c41943e1ba9d267176cd7f63e954ba [0,1,1,0,0,0|2,0,0]=4 735 B12R0.255 C=C(C)CCC(=O)NCCCSC 5858fe21e8779e852e3feb567caded9e [0,1,1,0,0,0|2,0,0]=4 736 B12R0.255 C=C(C)CCC(=O)NCCOCC 1eb94cca7bb74e9cce09c906a30222c1 [0,1,1,0,0,0|2,0,0]=4 737 B12R0.255 C=C(C)CCC(=O)NCCSCC 7113661a98e54de589a35f8c968171f4 [0,1,1,0,0,0|2,0,0]=4 738 B12R0.255 C=C(C)CNC(=O)/C=C/CCCC b22ebab158a3ba7ab50d874cef0f1680 [0,1,1,0,0,0|1,0,1]=4 739 B12R0.255 C=C(C)CNC(=O)C=CCCCC 12498ec588d7e8d74d556b4d11f30afd [0,1,1,0,0,0|1,0,1]=4 740 B12R0.255 C=C(C)CNC(=O)CCCCCC 5b4749c3394edf46636a663916cd1472 [0,1,1,0,0,0|1,0,1]=4 741 B12R0.255 C=C(C)CNC(=O)NCCCCC 9e0c6b7725f1fc15a144447c2c3df236 [0,1,1,0,0,0|2,0,0]=4 742 B12R0.255 CC(=O)CCC(=O)NCCCCCl 02fc7013090a3fe21560bfee4fd48ce8 [0,1,1,0,0,0|2,0,0]=4 743 B12R0.255 CC(=O)CCC(=O)NCCCCO b57c3eaa490dfbd3086f279be7fc7bff [0,1,1,0,0,0|2,0,0]=4 744 B12R0.255 CC(=O)CCC(=O)NCCCCS 69f979d83752bc97db6b86624f859695 [0,1,1,0,0,0|2,0,0]=4 745 B12R0.255 CCCC/C=C/C(=O)NCC(=O)C 7936a56df82e430bbd0f0980edb1748d [0,1,1,0,0,0|1,0,1]=4 746 B12R0.255 CCCCC=CC(=O)NCC(=O)C 9701dc8985cd98796e34362642116da0 [0,1,1,0,0,0|1,0,1]=4 747 B12R0.255 CCCCCCC(=O)NCC(=O)C 66b5691a9bf4e73254f9c1ed646b5502 [0,1,1,0,0,0|1,0,1]=4 748 B12R0.255 CCCCCCN(C)CCC(=O)C 77c0a1221183fa40cb1ace6a9be6ca61 [0,1,1,0,0,0|1,0,1]=4 749 B12R0.255 CCCCCCN(C)CCC(=O)N ef8a99b35b61847fe7a7f118519150eb [0,1,1,0,0,0|1,0,1]=4 750 B12R0.255 CCCCCCN(C)CCC(=O)O 3ee6fb03f9f9bf3501eecfc92744a975 [0,1,1,0,0,0|1,0,1]=4 751 B12R0.255 CCCCCNC(=O)CC=C(C)C 06e0662762aaec0269de3a58fa833ad3 [0,1,1,0,0,0|1,0,1]=4 752 B12R0.255 CCCCCNC(=O)CCC(=O)C ae21b9b863047306be7a4865d5b704f2 [0,1,1,0,0,0|1,0,0]=3 753 B12R0.255 CCCCCNC(=O)CCC(=O)N 43037e3ccc24b5037aeea792600b9be3 [0,1,1,0,0,0|2,0,0]=4 754 B12R0.255 CCCCCNC(=O)CCC(C)C 4509dfaa9996ad412b21022ad1197a9e [0,1,1,0,0,0|1,0,1]=4 755 B12R0.255 CCCCCNC(=O)CCC(C)O 9ae4d2e8fa18dd30b74dc56d421339a8 [0,1,1,0,0,0|1,0,1]=4 756 B12R0.255 CCCCCNC(=O)CCC(C)S 8fcca9b47bf869f2b2b12ba6d6ba9a1a [0,1,1,0,0,0|1,0,1]=4 757 B12R0.255 CCCCCNC(=O)CCN(C)C 6c60026480da06afc0c07a920b4d8851 [0,1,1,0,0,0|2,0,0]=4 758 B12R0.255 CCCCCNC(=O)CCS(=O)C 4f504edfc3a29428bab8f93ac2936763 [0,1,1,0,0,0|2,0,0]=4 759 B12R0.255 CCCCCNC(=O)CC[C@H](C)S 32f20faa1501cb075be47f0761d88337 [0,1,1,0,0,0|1,0,1]=4 760 B12R0.255 CCCCCNC(=O)CNC(=O)C 515289387fb0aca8c8da77f5b8defe2c [0,1,1,0,0,0|2,0,0]=4 761 B12R0.255 CCCCCNC(=O)CNC(=S)C e179b4786c451425da0e92354388a1d7 [0,1,1,0,0,0|2,0,0]=4 762 B12R0.255 CCCCCNC(=O)COC(=O)C 988846a49bdbd94dab582b728787f2ff [0,1,1,0,0,0|2,0,0]=4 763 B12R0.255 CCCCCNC(=O)CSC(=O)C 41ba5cc47f73c294d5dcb31c7eb5b72b [0,1,1,0,0,0|2,0,0]=4 764 B12R0.255 CCCCCNC(=O)NCC(=O)C 303ff37dd0ea906b436989f0d8af4cbb [0,1,1,0,0,0|2,0,0]=4 765 B12R0.255 CCCCCNC(C)CCC(=O)O 730b0df9d7fa73e87407a0302aed1146 [0,1,1,0,0,0|1,0,1]=4 766 B12R0.255 CCCCCN[C@@H](C)CCC(=O)O 4387733a443a9a8b950031c87b714308 [0,1,1,0,0,0|1,0,1]=4 767 B12R0.255 CCCCCOC(C)CCC(=O)O 77363f5fe2bc3f8f43385acd048d6314 [0,1,1,0,0,0|1,0,1]=4 768 B12R0.255 CCOCCNC(=O)CCC(=O)C fd2ef8fa098d9b801725da18ef1ad57a [0,1,1,0,0,0|2,0,0]=4 769 B12R0.255 CCSCCNC(=O)CCC(=O)C 7782f962bfc1415bbf51d011b5608d77 [0,1,1,0,0,0|2,0,0]=4 770 B12R0.255 COCCCNC(=O)CCC(=O)C 88e36f177c77b4854f80a85c01f38e33 [0,1,1,0,0,0|2,0,0]=4 771 B12R0.255 CSCCCNC(=O)CCC(=O)C a841e073f63cce31868ffd8792664c11 [0,1,1,0,0,0|2,0,0]=4 772 B12R0.648 C/C=C/CC(=O)N(C)CCCCC d54dc5ba850b1b62c2ee8222a59a61d8 [0,1,1,0,0,0|1,0,1]=4 773 B12R0.648 C=CCCC(=O)C(=O)NCCCC a04529acd81aa4c28c19d8b8836789e0 [0,1,1,0,0,0|1,0,1]=4 774 B12R0.648 C=CCCC(=O)N(C)CCCCC 520775221fd296bddfa1041b0344faaf [0,1,1,0,0,0|1,0,1]=4 775 B12R0.648 C=CCCN(C)C(=O)CCCCC 65c2b4c4d8c4c80cedb97fbb6c6f0b8b [0,1,1,0,0,0|2,0,0]=4 776 B12R0.648 CCCCCC(=O)C(=O)NCCC fb51708cecf5dd6a3040f4e7e4e30451 [0,1,1,0,0,0|1,0,1]=4 777 B12R0.648 CCCCCN(C)C(=O)CCC=O e320858ba8b477c1d01486a4e3c34ac8 [0,1,1,0,0,0|2,0,0]=4 778 B12R0.648 CCCCCN(C)C(=O)CCCC b8e48fd07fbf020f91bdded241b261bc [0,1,1,0,0,0|1,0,1]=4 779 B12R0.648 CCCCCN(C)C(=O)CCOC ba7e8aab5d17c7ee5bdb30601b21f080 [0,1,1,0,0,0|2,0,0]=4 780 B12R0.648 CCCCCN(C)C(=O)CCSC 24a30220ed10c20fcdfe1df1bae7a461 [0,1,1,0,0,0|2,0,0]=4 781 B12R0.648 CCCCNC(=O)C(=O)CCCC 27da2b22f97f57580f57206af7a88f2e [0,1,1,0,0,0|1,0,1]=4 782 B12R0.112 CC(=O)N(CCCCCO)C(C)C e55cf193f8ecb74cd70db55dc05aa35b [0,1,1,0,0,0|1,0,1]=4 783 B12R0.112 CCCCCNC(C(=O)C)C(=O)C fc73edfc1ee5db70f13604132e754b82 [0,1,1,0,0,0|1,0,1]=4 784 B12R0.112 CCCCCOC(C(=O)C)C(=O)C f0d8259e342f39cdaf437ea0ab5f0bf1 [0,1,1,0,0,0|1,0,1]=4 785 B12R1.130 C=C(C)CCOC1=CCCC1=O 732a10280a4b2570bb2c4b111bdb123c [1,1,0,0,0,0|1,0,1]=4 786 B12R1.130 C=C(C)COCC1=CCCC1=O d6b0c1a34f414dd730fedd036701c7f3 [1,1,0,0,0,0|1,0,1]=4 787 B12R1.130 CC(=O)CCOC1=CCCC1=O abb6f2be66f580c359d1591576de4392 [1,1,0,0,0,0|1,0,1]=4 788 B12R1.130 CC(C)CCOC1=CCCC1=O 2637f67eef11bc7f161a220f35c132a2 [1,1,0,0,0,0|1,0,0]=3 789 B12R1.130 CC(C)COCC1=CCCC1=O 74103484ca788ffb0f18dcf55f659c73 [1,1,0,0,0,0|1,0,0]=3 790 B12R1.130 CC(C)OCOC1=CCCC1=O 4f6eb1d63a1faedb6b53917a0d350d19 [1,1,0,0,0,0|2,0,0]=4 791 B12R1.130 CN(C)CCOC1=CCCC1=O c2b296678913f0d08187bf42b5537532 [1,1,0,0,0,0|2,0,0]=4 792 B12R1.130 CN(C)COCC1=CCCC1=O 8318a3188710b1db030259c653dbd69f [1,1,0,0,0,0|2,0,0]=4 793 B12R1.130 CS(=O)CCOC1=CCCC1=O 8b9cbb01088e76783dc6107429de9d7a [1,1,0,0,0,0|2,0,0]=4 794 B12R1.130 O=C1CCC=C1COCC(F)F 0fd120894d77dea5ef4d3546ef95923c [1,1,0,0,0,0|2,0,0]=4 795 B12R1.318 CCCC(C)OC1=CCCC1=O 14d78579fc375778cae8922d62d0a412 [1,1,0,0,0,0|1,0,0]=3 796 B12R1.318 COCC(C)OC1=CCCC1=O 63f5459794e233947d927ccca6fbaf5f [1,1,0,0,0,0|2,0,0]=4 797 B12R1.353 C=C(CC)COC1=CCCC1=O abf44142ea6f5d7cf6db228c28509a31 [1,1,0,0,0,0|1,0,1]=4 798 B12R1.353 CCC(=O)COC1=CCCC1=O c57382958b468f69485cb8dbc3390cce [1,1,0,0,0,0|1,0,1]=4 799 B12R1.353 CCC(C)COC1=CCCC1=O b02f744f98067c0c008efd0bb3218f02 [1,1,0,0,0,0|1,0,0]=3 800 B12R1.353 CCC(C)OCC1=CCCC1=O 4ef462640bbde62c6ef1acaffe7f74e0 [1,1,0,0,0,0|1,0,0]=3 801 B12R1.353 CC[C@@H](C)COC1=CCCC1=O daa6a042191bcd762b17783858cd7424 [1,1,0,0,0,0|1,0,0]=3 802 B12R1.353 CC[C@H](C)COC1=CCCC1=O 5ad37ddadb01cf178a38e6d3e14fe14b [1,1,0,0,0,0|1,0,0]=3 803 B12R1.353 COC(C)COC1=CCCC1=O 0dfaac1771002a00e9d0003f7f44547d [1,1,0,0,0,0|2,0,0]=4 804 B12R1.353 CO[C@@H](C)COC1=CCCC1=O fead28d91b1b85320ff3b2a59a7ee139 [1,1,0,0,0,0|2,0,0]=4 805 B12R1.353 CO[C@H](C)COC1=CCCC1=O 2ee4ecd971dd014d06182d10c9ea2013 [1,1,0,0,0,0|2,0,0]=4 806 B12R1.353 O=C1CCC=C1OCC(O)CO 8590fff68ae5fa35008fa878c8c92e8e [1,1,0,0,0,0|2,0,0]=4 807 B12R1.353 O=C1CCC=C1OC[C@@H](O)CO 2345908d9ef7e29c48214d2e1cd5f6a3 [1,1,0,0,0,0|2,0,0]=4 808 B12R1.353 O=C1CCC=C1OC[C@H](O)CO c72e9320949f02925e45f01a1a9cc25e [1,1,0,0,0,0|2,0,0]=4 809 B12R1.372 C#CCCCOC1=CCCC1=O 512a808cbbef217c7db6de4c2c1e08d5 [1,1,0,0,0,0|0,0,2]=4 810 B12R1.372 C#CCCOCC1=CCCC1=O 09ba38cd6833e6fec6f77844b51429fd [1,1,0,0,0,0|0,0,2]=4 811 B12R1.372 C/C=C/COCC1=CCCC1=O c6913231f84301100ec1ea8e873c00a5 [1,1,0,0,0,0|0,0,2]=4 812 B12R1.372 C/C=C\COCC1=CCCC1=O 2da4769605c3292c9a9afaf9acfc1a51 [1,1,0,0,0,0|0,0,2]=4 813 B12R1.372 C=CCCCOC1=CCCC1=O 6b8354f74c7ef0174f0201c3cd916d8f [1,1,0,0,0,0|0,0,2]=4 814 B12R1.372 C=CCCOCC1=CCCC1=O aea6f5dac0e1d503487954a041b61fee [1,1,0,0,0,0|0,0,2]=4 815 B12R1.372 CC/C=C/COC1=CCCC1=O 1844e0fa6d27c33fb1c9a8ac7049953c [1,1,0,0,0,0|0,0,2]=4 816 B12R1.372 CCCCCNC1CCCC1=O ee442f970f1fa1ee4a9db9391b24d53a [1,1,0,0,0,0|0,0,2]=4 817 B12R1.372 CCCCCNc1c[nH]nc1C cf3e830ff196451f84da5b54bd6f0dd2 [1,1,0,0,0,0|2,0,0]=4 818 B12R1.372 CCCCCNc1ccsc1C 4ef7c6d61cb81ed140c71a5d21189f75 [1,1,0,0,0,0|1,0,1]=4 819 B12R1.372 CCCCCNc1cnoc1C 9db0b47756d200bee0fa39e29eadae92 [1,1,0,0,0,0|2,0,0]=4 820 B12R1.372 CCCCCNc1conc1C 90766183194833aad6c76b5212bdccf2 [1,1,0,0,0,0|2,0,0]=4 821 B12R1.372 CCCCCNc1cscc1C b36a2002d151044ac0ee3ddd8ff8eccc [1,1,0,0,0,0|1,0,1]=4 822 B12R1.372 CCCCCOC1=CCCC1=O aced0a663d03525810afb4d7d1fd266e [1,1,0,0,0,0|0,0,0]=2 823 B12R1.372 CCCCCOC1CCCC1=O 8a94f72c221bfb3778ff555968a511d0 [1,1,0,0,0,0|0,0,2]=4 824 B12R1.372 CCCCCOc1cn[nH]c1C 2f655d095a591285798b5ba3fe08fbbc [1,1,0,0,0,0|2,0,0]=4 825 B12R1.372 CCCCNCN1CCCC1=O c5ae5812969cc9da5c4626849cdc1818 [1,1,0,0,0,0|1,0,1]=4 826 B12R1.372 CCCCNCc1ccoc1C 0aaca2b7d591bc7ed7f1879f1eeaab8c [1,1,0,0,0,0|1,0,1]=4 827 B12R1.372 CCCCNCc1cn[nH]c1C d390b72553d7e65ce8a1888424c7cf70 [1,1,0,0,0,0|2,0,0]=4 828 B12R1.372 CCCCNCc1cnoc1C 9816249b831d40b5ad1d2c1a12199904 [1,1,0,0,0,0|2,0,0]=4 829 B12R1.372 CCCCNCc1conc1C ac6f85f0902cda75aadf73dfddc0c6d1 [1,1,0,0,0,0|2,0,0]=4 830 B12R1.372 CCCCOCC1=CCCC1=O 021c1b15205db97e8b40d819f0fded41 [1,1,0,0,0,0|0,0,0]=2 831 B12R1.372 CCCCOCC1CCCC1=O 56225e28d37f7f94bad2272cfa718879 [1,1,0,0,0,0|0,0,2]=4 832 B12R1.372 CCCCOCN1CCCC1=O 580af75aeeffe9cecf4715ca31375fb3 [1,1,0,0,0,0|1,0,1]=4 833 B12R1.372 CCCCOCc1c[nH]nc1C af3851fa84dc7dc88349046ec9a79cbc [1,1,0,0,0,0|2,0,0]=4 834 B12R1.372 CCCCOCc1ccoc1C f10d80c1044dcc88e0cde7e9a16d8dad [1,1,0,0,0,0|1,0,1]=4 835 B12R1.372 CCCCOCc1cnoc1C 6cb5fa633fbf352fc3e8e33d3b69623f [1,1,0,0,0,0|2,0,0]=4 836 B12R1.372 CCCCOCc1cscc1C f35d8351a82f3f09bda365c1f138fd62 [1,1,0,0,0,0|1,0,1]=4 837 B12R1.372 CCCNCCN1CCCC1=O 38f0f8ba483f1750ff441fc6bdfc384c [1,1,0,0,0,0|1,0,1]=4 838 B12R1.372 CCCOCCN1CCCC1=O 7b5ed8bcb4a3c5a6085cdd9832fd6bf3 [1,1,0,0,0,0|1,0,1]=4 839 B12R1.372 CCNCCCN1CCCC1=O eb7727125c7e45885d666a75794c1e2c [1,1,0,0,0,0|1,0,1]=4 840 B12R1.372 CCNCCCc1cn[nH]c1C ec0c6c3a21017afb80af51cecddfc740 [1,1,0,0,0,0|2,0,0]=4 841 B12R1.372 CCOCCCN1CCCC1=O b7a5a9adf6e9c3b980ad8af856bf4c51 [1,1,0,0,0,0|1,0,1]=4 842 B12R1.372 CCOCCOC1=CCCC1=O 41f2e8fcf02b3fda2952dfb46c050360 [1,1,0,0,0,0|1,0,0]=3 843 B12R1.372 CCSCCOC1=CCCC1=O f5d8908dead934779bc6da8153eab64c [1,1,0,0,0,0|1,0,0]=3 844 B12R1.372 COCCCOC1=CCCC1=O 165cc3388ff355ad6a5eb89f04e4b89b [1,1,0,0,0,0|1,0,0]=3 845 B12R1.372 COCCOCC1=CCCC1=O f5a3e860baa3eff45bd02f798b92aee1 [1,1,0,0,0,0|1,0,0]=3 846 B12R1.372 CSCCCOC1=CCCC1=O 43d3d6cf7864e5d703e3ee69ac98ea57 [1,1,0,0,0,0|1,0,0]=3 847 B12R1.372 CSCCOCC1=CCCC1=O ae3360d6126707793d71e41c248271fe [1,1,0,0,0,0|1,0,0]=3 848 B12R1.372 N#CCCCOC1=CCCC1=O 9b7d4496bfa83f3e229e55fc61008cb6 [1,1,0,0,0,0|1,0,1]=4 849 B12R1.372 N#CCCOCC1=CCCC1=O aacd146df5a0fa8be2d1087611b62fa6 [1,1,0,0,0,0|1,0,1]=4 850 B12R1.372 O=C1CCC=C1COCCCF e7a5c7f8f4828eaa4a39eb13660a2b22 [1,1,0,0,0,0|1,0,0]=3 851 B12R1.372 O=C1CCC=C1COCCCS 05a3e288340f88a49447d6ef7b8e9e64 [1,1,0,0,0,0|1,0,0]=3 852 B12R1.372 O=C1CCC=C1OCCCCF 13c983eb7c3c1586a61dd2514578e56f [1,1,0,0,0,0|1,0,0]=3 853 B12R1.372 O=CCCCOC1=CCCC1=O bfa73977254d66f3e8bdb3b5c85c5cb2 [1,1,0,0,0,0|1,0,1]=4 854 B12R1.372 O=CCCOCC1=CCCC1=O c7c8b960f3f839f2fa0d5447bfd316ba [1,1,0,0,0,0|1,0,1]=4 855 B12R1.803 CCC1=C(C(=O)CC1)OCCF b2cfef7ac1452386aa660d44f5443869 [1,1,0,0,0,0|2,0,0]=4 856 B12R1.803 CCC1=C(C(=O)CC1)OCCS e5e279d5420c838bbc5ca434235f9faa [1,1,0,0,0,0|2,0,0]=4 857 B12R1.803 CCC1=C(C(=O)CC1)OCOC 495bed850f35c25ea6b9818310ed0eae [1,1,0,0,0,0|2,0,0]=4 858 B12R1.803 CCC1=C(C(=O)CC1)OCSC 7a76c5ba6d6019ad647b43b611bfaa2f [1,1,0,0,0,0|2,0,0]=4 859 B12R1.803 CCCOC1=C(CCC1=O)CC e3330aeebfa4bbb4539d9723213f7bad [1,1,0,0,0,0|1,0,0]=3 860 B12R1.895 C=C(C)COC1=C(CCC1=O)C bee97e853b3e40393dc19095340c1740 [1,1,0,0,0,0|1,0,1]=4 861 B12R1.895 CC1=C(C(=O)CC1)OCC(C)C 400a964f417e70a1228d2dc22700b2dc [1,1,0,0,0,0|1,0,0]=3 862 B12R1.895 CC1=C(C(=O)CC1)OCC(F)F 351a9b15b05da75d0ad91aeaf770b60b [1,1,0,0,0,0|2,0,0]=4 863 B12R1.895 CC1=C(C(=O)CC1)OCN(C)C 442cd459af9439928504326f4fa7d9bd [1,1,0,0,0,0|2,0,0]=4 864 B12R1.895 CC1=C(C(=O)CO1)OCC(C)C 4d689dac20a49c57e27701e84c83ef6e [1,1,0,0,0,0|2,0,0]=4 865 B12R1.895 CC1=C(C(=O)OC1)OCC(C)C 637ef1c64f68b6675ab8e89913aa2b62 [1,1,0,0,0,0|2,0,0]=4 866 B12R1.1624 CC1=C(C(=O)CC1C)OCCF adc1e967b91f06aa216e4cfdf79abe9b [1,1,0,0,0,0|2,0,0]=4 867 B12R1.1624 CC1=C(C(=O)CC1C)OCCS eb2ef50505f7d5a3d4bf65bd59b79ff9 [1,1,0,0,0,0|2,0,0]=4 868 B12R1.1624 CCCOC1=C(C(CC1=O)C)C dd9b67d1afb2ae6c1f553a756784ccfb [1,1,0,0,0,0|1,0,0]=3 869 B12R1.1624 CCCOC1=C(C(OC1=O)C)C 0d2f3ffc729a512d21d7b240581e8f2a [1,1,0,0,0,0|2,0,0]=4 870 B12R1.1624 CCCOC1=C(OC(C1=O)C)C 9ca83afb4be805c400f41fe74f2313a6 [1,1,0,0,0,0|2,0,0]=4 871 B12R1.1624 COCOC1=C(C(CC1=O)C)C e79ee11b73c137a3c2a7e6ba14cedb22 [1,1,0,0,0,0|2,0,0]=4 872 B12R1.1624 CSCOC1=C(C(CC1=O)C)C a2e599ab2986e690aa7001e76afd817a [1,1,0,0,0,0|2,0,0]=4 873 B12R1.2217 CCC(C)OC1=C(CCC1=O)C 49cfc34cf2d607f1112d34cb8c055dc6 [1,1,0,0,0,0|1,0,0]=3 874 B12R1.2217 CCC(C)OC1=C(COC1=O)C 1cd53bdadfa583169c917a18fa97b31c [1,1,0,0,0,0|2,0,0]=4 875 B12R1.2217 CCC(C)OC1=C(OCC1=O)C 306bb304888c48329b9c637876803e37 [1,1,0,0,0,0|2,0,0]=4 876 B14R1.218 CCCCCNc1cc(n[nH]c1=O)C 673e7ae464ae200f8773464bdfb4cddd [0,1,0,0,0,1|2,0,0]=4 877 B14R1.218 CCCCCNc1nc(=O)[nH]cc1C 606896b1f2c1b9d19b2f628b11b52841 [0,1,0,0,0,1|1,0,1]=4 878 B14R1.218 CCCCCNc1nc(=O)[nH]nc1C 81d84da50d3068ef5c1793b98fbe377a [0,1,0,0,0,1|2,0,0]=4 879 B14R1.218 CCCCCNc1nc(c[nH]c1=O)C f8ec1c1c209810e9915a46e75ff69365 [0,1,0,0,0,1|1,0,1]=4 880 B14R1.20339 CCCCCNC1C(=O)CCCC1=O 129d7e73e4c4a7d9cfd9122cdd633619 [0,1,0,0,0,1|1,0,1]=4 881 B14R1.20339 CCCCCNc1c(cn[nH]c1=O)C c8459533113d2ffca19913d79bd7d57e [0,1,0,0,0,1|1,0,1]=4 882 B14R1.20339 CCCCCNc1c(nc[nH]c1=O)C c61167155a96f5289bcc31c785cc5d92 [0,1,0,0,0,1|1,0,1]=4 883 B14R1.20339 CCCCCOC1C(=O)CCCC1=O d631311a7087fead1a69bcefbc25a98e [0,1,0,0,0,1|1,0,1]=4 884 B14R1.20339 CCCCCOc1c([nH]ccc1=O)C 504d1caa3c82cd01ee31d21549dadd60 [0,1,0,0,0,1|0,0,2]=4 885 B14R1.20339 CCCCCOc1c(occc1=O)C 6e3887f13ae306e5e182871c3d746561 [0,1,0,0,0,1|0,0,2]=4 886 B14R1.1237 C#CCCCCOC1=C(CCC1=O)C 1b8bbbcfda06d2d82693e3c20fc61dad [0,2,0,0,0,0|0,0,1]=3 887 B14R1.1237 C#CCCCCOC1=C(COC1=O)C 2f5e1ad739d78604c4ec5c4b93989e4d [0,2,0,0,0,0|1,0,1]=4 888 B14R1.1237 C#CCCCCOC1=C(OCC1=O)C 078ba327eaaeae3009d3300a9acfa36b [0,2,0,0,0,0|1,0,1]=4 889 B14R1.1237 C#CCOCCOC1=C(CCC1=O)C a289e97f7fe57a8c858eecf3edd71d2e [0,2,0,0,0,0|0,0,2]=4 890 B14R1.1237 C/C=C\CCCOC1=C(CCC1=O)C 8f400c4c3810e62e61d8ebc35ca8f074 [0,2,0,0,0,0|0,0,1]=3 891 B14R1.1237 C/C=C\CCCOC1=C(COC1=O)C 5b5b3597d6ddef464131c06cbd3da468 [0,2,0,0,0,0|1,0,1]=4 892 B14R1.1237 C/C=C\CCCOC1=C(OCC1=O)C c29f3889ddb2d25cf7e63467efcb3412 [0,2,0,0,0,0|1,0,1]=4 893 B14R1.1237 C=CCCCCOC1=C(CCC1=O)C 57f41390781b4f899049ae7b4470412d [0,2,0,0,0,0|0,0,1]=3 894 B14R1.1237 C=CCCCCOC1=C(COC1=O)C 4b2caf3337cfeaf55fd06a1d32c066f1 [0,2,0,0,0,0|1,0,1]=4 895 B14R1.1237 C=CCCCCOC1=C(OCC1=O)C 1919a75c5a4c7beeb2af84431e1cff01 [0,2,0,0,0,0|1,0,1]=4 896 B14R1.1237 C=CCOCCOC1=C(CCC1=O)C 808efb449c427bef868358ab28f2f612 [0,2,0,0,0,0|0,0,2]=4 897 B14R1.1237 CC/C=C\CCOC1=C(CCC1=O)C c7a5a9f776b7d379e91e271744eb3e51 [0,2,0,0,0,0|0,0,1]=3 898 B14R1.1237 CC/C=C\CCOC1=C(COC1=O)C e6da2f5f2c1efe201628d3ec8f5c091c [0,2,0,0,0,0|1,0,1]=4 899 B14R1.1237 CC/C=C\CCOC1=C(OCC1=O)C 536ab3f407bd04b44c055abd83cee868 [0,2,0,0,0,0|1,0,1]=4 900 B14R1.1237 CC1=C(C(=O)CC1)OCCCCC#N 6229c491627c58ea8225f347f4914966 [0,2,0,0,0,0|0,0,1]=3 901 B14R1.1237 CC1=C(C(=O)CC1)OCCCCC=O 9439a0d37b7b781fc3dcb8d44fce8f6f [0,2,0,0,0,0|0,0,1]=3 902 B14R1.1237 CC1=C(C(=O)CC1)OCCCCCF 682aaad0c948ab45c9263ecb2729898b [0,2,0,0,0,0|0,0,0]=2 903 B14R1.1237 CC1=C(C(=O)CC1)OCCOCC#N 6b3259472aa9fc6898bf30a3aaf923fb [0,2,0,0,0,0|1,0,1]=4 904 B14R1.1237 CC1=C(C(=O)CC1)OCCOCC=O 79f1f2a30c3155d8583e346a5e354dea [0,2,0,0,0,0|1,0,1]=4 905 B14R1.1237 CC1=C(C(=O)CO1)OCCCCC#N 38dea9c52e3a3bcdadab2a8394a4c4be [0,2,0,0,0,0|1,0,1]=4 906 B14R1.1237 CC1=C(C(=O)CO1)OCCCCC=O 62a3876fa38d66c36f4aab92d4318eda [0,2,0,0,0,0|1,0,1]=4 907 B14R1.1237 CC1=C(C(=O)CO1)OCCCCCF ca1ab65ae5dc81b49ca696b9adcfeae3 [0,2,0,0,0,0|1,0,0]=3 908 B14R1.1237 CC1=C(C(=O)OC1)OCCCCC#N 7b04d21aad9beb467dbc11c1f3a81507 [0,2,0,0,0,0|1,0,1]=4 909 B14R1.1237 CC1=C(C(=O)OC1)OCCCCC=O 7fd3037dc254b0131d0ca3a66a60e6d9 [0,2,0,0,0,0|1,0,1]=4 910 B14R1.1237 CC1=C(C(=O)OC1)OCCCCCF f179bcfabdba8d746cb9e68acedefd94 [0,2,0,0,0,0|1,0,0]=3 911 B14R1.1237 CCC/C=C/COC1=C(CCC1=O)C 393e35aa37b588b65e794b60697ced8d [0,2,0,0,0,0|0,0,1]=3 912 B14R1.1237 CCC/C=C/COC1=C(COC1=O)C 05367222a71f61a88edf288df97a3c84 [0,2,0,0,0,0|1,0,1]=4 913 B14R1.1237 CCC/C=C/COC1=C(OCC1=O)C 7c36dd5df60f67084236040711f35117 [0,2,0,0,0,0|1,0,1]=4 914 B14R1.1237 CCC/C=C\COC1=C(CCC1=O)C 9aaf3e88565b4d7613a1ef437686250a [0,2,0,0,0,0|0,0,1]=3 915 B14R1.1237 CCC/C=C\COC1=C(COC1=O)C 90932fce088d4fae2d5f708bd572693e [0,2,0,0,0,0|1,0,1]=4 916 B14R1.1237 CCC/C=C\COC1=C(OCC1=O)C f92e275227d82c007a07bb1d6f51cda1 [0,2,0,0,0,0|1,0,1]=4 917 B14R1.1237 CCCCCCNC1C(=O)CCC1=O 81c8d5df519d03ed708346c966866d32 [0,2,0,0,0,0|1,0,1]=4 918 B14R1.1237 CCCCCCOC1=C(CCC1=O)C b3c175511d52545eb988b6a6dd14cc4e [0,2,0,0,0,0|0,0,0]=2 919 B14R1.1237 CCCCCCOC1=C(OCC1=O)C 7d8ae0ee6522af67dc52f9026f571a9a [0,2,0,0,0,0|1,0,0]=3 920 B14R1.1237 CCCCCCOC1C(=O)CCC1=O 842837563ceb8da553a765fdf82a1f1b [0,2,0,0,0,0|1,0,1]=4 921 B14R1.1237 CCCCCOC=C1C(=O)CCC1=O 0306527211fad1ac34217c75a38b70fc [0,2,0,0,0,0|1,0,0]=3 922 B14R1.1237 CCCCCOCN1C(=O)CCC1=O 6ea4700e0725b6fc5d5824eb806f2976 [0,2,0,0,0,0|2,0,0]=4 923 B14R1.1237 CCCCNCCN1C(=O)CCC1=O 903dc0266d1b82912ed4cafce642e843 [0,2,0,0,0,0|2,0,0]=4 924 B14R1.1237 CCCCNCCc1c([nH][nH]c1=O)C 263c4f475a0995407a6dc3d03689c206 [0,2,0,0,0,0|2,0,0]=4 925 B14R1.1237 CCCCOCCN1C(=O)CCC1=O 00c79e0beca1ba2253c7c40c3ba51c61 [0,2,0,0,0,0|2,0,0]=4 926 B14R1.1237 CCCCOCCc1c([nH][nH]c1=O)C b15892d2c2c2fcca229387a2c65e741c [0,2,0,0,0,0|2,0,0]=4 927 B14R1.1237 CCCCOCOC1=C(CCC1=O)C 48d6b6c43e45d6b26369903336f2af4d [0,2,0,0,0,0|0,0,0]=2 928 B14R1.1237 CCCCOCOC1=C(COC1=O)C 943d77b70b077a42550309e92d54a63e [0,2,0,0,0,0|1,0,0]=3 929 B14R1.1237 CCCCOCOC1=C(OCC1=O)C ca273abd48b7d06a3f785ca4444b38dc [0,2,0,0,0,0|1,0,0]=3 930 B14R1.1237 CCCNCCCN1C(=O)CCC1=O 9c84673c7582b370f196e480944235af [0,2,0,0,0,0|2,0,0]=4 931 B14R1.1237 CCCOCCCN1C(=O)CCC1=O 15ad0add103f25fb1378b984fb5f6a78 [0,2,0,0,0,0|2,0,0]=4 932 B14R1.1237 CCCOCCNc1c([nH][nH]c1=O)C ae55241caba8ff5aabb1ee48a66d463a [0,2,0,0,0,0|2,0,0]=4 933 B14R1.1237 CCCOCCOC1=C(CCC1=O)C 3cbde6148f46b5cb3bc16e6dcd527d8e [0,2,0,0,0,0|0,0,0]=2 934 B14R1.1237 CCCOCCOC1=C(COC1=O)C 1502afb7edae2be70ea263e154df38a2 [0,2,0,0,0,0|1,0,0]=3 935 B14R1.1237 CCCOCCOC1=C(OCC1=O)C fdc76fad1ffe30e0355772b4f8e761f0 [0,2,0,0,0,0|1,0,0]=3 936 B14R1.1237 CCCOCCOC1C(=O)CCC1=O ca8c7866a7bf98b70e67ac42dbe640fe [0,2,0,0,0,0|1,0,1]=4 937 B14R1.1237 CCOCCCCN1C(=O)CCC1=O 5f4b3bda0c44c8d6d6bb93071d36c9fc [0,2,0,0,0,0|2,0,0]=4 938 B14R1.1237 CCOCCCOC1=C(CCC1=O)C 87518deec98beb7cb30dfacf4a66c170 [0,2,0,0,0,0|0,0,0]=2 939 B14R1.1237 CCOCCCOC1=C(COC1=O)C 8cba37dcf4b9215cbd270c405f9700d7 [0,2,0,0,0,0|1,0,0]=3 940 B14R1.1237 CCOCCCOC1=C(OCC1=O)C 40a67210595ec00270be5da2458d4bb7 [0,2,0,0,0,0|1,0,0]=3 941 B14R1.1237 CCOCCCOC1C(=O)CCC1=O 18121bf72762651e48cf04ebfad42499 [0,2,0,0,0,0|1,0,1]=4 942 B14R1.1237 CCOCCOC=C1C(=O)CCC1=O a4923773aeef38bac916b7305c638e29 [0,2,0,0,0,0|1,0,1]=4 943 B14R1.1237 CCOCCOCN1C(=O)CCC1=O e434c7e52e2e31492df5b957a415b62b [0,2,0,0,0,0|2,0,0]=4 944 B14R1.1237 CCOCNCCc1c([nH][nH]c1=O)C 49902e6a904283e2c95973d3a9c88053 [0,2,0,0,0,0|2,0,0]=4 945 B14R1.1237 CCOCOCCN1C(=O)CCC1=O b70e094d04081887a72e7098290292e8 [0,2,0,0,0,0|2,0,0]=4 946 B14R1.1237 CCSCCCOC1=C(CCC1=O)C 3bf8173ccc115ce0967234b8b795abfc [0,2,0,0,0,0|0,0,0]=2 947 B14R1.1237 CCSCCCOC1=C(OCC1=O)C 0261a177943f16a39250a484fd240522 [0,2,0,0,0,0|1,0,0]=3 948 B14R1.1237 CCSCCOC=C1C(=O)CCC1=O a914d1640ff8eb59cbd11961715d8d98 [0,2,0,0,0,0|1,0,1]=4 949 B14R1.1237 CCSCCOCN1C(=O)CCC1=O 70ecc326491919a8078c40a106ea7978 [0,2,0,0,0,0|2,0,0]=4 950 B14R1.1237 COCCCCOC1=C(CCC1=O)C 1440b046677272eb82f37790343129e6 [0,2,0,0,0,0|0,0,0]=2 951 B14R1.1237 COCCCCOC1=C(COC1=O)C da853ceb4edb94b42e9b9f564ef6f454 [0,2,0,0,0,0|1,0,0]=3 952 B14R1.1237 COCCCCOC1=C(OCC1=O)C 0b2c0370fdbaa337abaf438e0d0984c4 [0,2,0,0,0,0|1,0,0]=3 953 B14R1.1237 COCCCOC=C1C(=O)CCC1=O e4ed74fe8627c6c5a3ee18fe050b0574 [0,2,0,0,0,0|1,0,1]=4 954 B14R1.1237 COCCCOCN1C(=O)CCC1=O 2436c4056819da9a2a27b3d623a2163e [0,2,0,0,0,0|2,0,0]=4 955 B14R1.1237 COCCNCCN1C(=O)CCC1=O f7515da33a2adf03d782f92435e9575d [0,2,0,0,0,0|2,0,0]=4 956 B14R1.1237 COCCNCCc1c([nH][nH]c1=O)C 4831dead264d750a167a6a9ab93cfc48 [0,2,0,0,0,0|2,0,0]=4 957 B14R1.1237 COCCOCCN1C(=O)CCC1=O c265e04e97e727f9426b58f69887aabb [0,2,0,0,0,0|2,0,0]=4 958 B14R1.1237 COCCOCCc1c([nH][nH]c1=O)C 317d73ba004cc63fa3a69c183c01463a [0,2,0,0,0,0|2,0,0]=4 959 B14R1.1237 COCCOCOC1=C(CCC1=O)C 9519ec2769306de739b6e337d9608343 [0,2,0,0,0,0|1,0,0]=3 960 B14R1.1237 COCCOCOC1=C(COC1=O)C 31b266e34910128db9d7ff5e3ed50d7e [0,2,0,0,0,0|2,0,0]=4 961 B14R1.1237 COCCOCOC1=C(OCC1=O)C 4ecc700a3c62d566a1dddfcaa9220b40 [0,2,0,0,0,0|2,0,0]=4 962 B14R1.1237 COCOCCCN1C(=O)CCC1=O 7498548e628c21bdce8728377aa3ee1d [0,2,0,0,0,0|2,0,0]=4 963 B14R1.1237 COCOCCOC1=C(CCC1=O)C a603c8eef1654a361b0a1244f5e5c2af [0,2,0,0,0,0|1,0,0]=3 964 B14R1.1237 COCOCCOC1=C(COC1=O)C b721f1e7753f3559489b2549ec2f4386 [0,2,0,0,0,0|2,0,0]=4 965 B14R1.1237 COCOCCOC1=C(OCC1=O)C 91815fafe59f1e5add6bb5bfc05eb078 [0,2,0,0,0,0|2,0,0]=4 966 B14R1.1237 CSCCCCNC1C(=O)CCC1=O 16bb3f2ff4815b0d35ed26715d4cc6d1 [0,2,0,0,0,0|1,0,1]=4 967 B14R1.1237 CSCCCOC=C1C(=O)CCC1=O 7b5fd25507dd5eb1daa8f2c5cf4a7434 [0,2,0,0,0,0|1,0,1]=4 968 B14R1.1237 CSCCCOCN1C(=O)CCC1=O daff3ba5d4c15121eefbfec1f2dc07de [0,2,0,0,0,0|2,0,0]=4 969 B14R1.1237 CSCCNCCN1C(=O)CCC1=O 6ff3d356fcb6241979c27b75f5e85ee9 [0,2,0,0,0,0|2,0,0]=4 970 B14R1.1237 CSCCNCCc1c([nH][nH]c1=O)C 9fc53a2db0660fc8e54be1942363b36d [0,2,0,0,0,0|2,0,0]=4 971 B14R1.1237 CSCCOCCN1C(=O)CCC1=O e6ab59e7f006915b366965fc0a9010c3 [0,2,0,0,0,0|2,0,0]=4 972 B14R1.1237 CSCCOCCc1c([nH][nH]c1=O)C d4a871573f3a36a087fcbc939917df2d [0,2,0,0,0,0|2,0,0]=4 973 B14R1.1237 Cc1[nH][nH]c(=O)c1CCNCCCF 1b72d5ed34be9bf8345f36a4ac619b07 [0,2,0,0,0,0|2,0,0]=4 974 B14R1.1237 Cc1[nH][nH]c(=O)c1CCNCCCO 51d75cf24303c1438f7e91992de6fac8 [0,2,0,0,0,0|2,0,0]=4 975 B14R1.1237 Cc1[nH][nH]c(=O)c1CCNCCCS 8997235aba5dd4d9f167d606164a8f24 [0,2,0,0,0,0|2,0,0]=4 976 B14R1.1237 Cc1[nH][nH]c(=O)c1CCOCCCF a4468fe988384eb334a11364f270cafa [0,2,0,0,0,0|2,0,0]=4 977 B14R1.1237 Cc1[nH][nH]c(=O)c1CCOCCCS c9495eb78ff320ece53254cf06cccf7d [0,2,0,0,0,0|2,0,0]=4 978 B14R1.1237 O=C1CCC(=O)C1=COCCCCF a56102f69e732378e6920024afa6dac4 [0,2,0,0,0,0|1,0,1]=4 979 B14R1.1237 O=C1CCC(=O)C1NCCCCCCl 57266022c164d1423d5256cf723a3126 [0,2,0,0,0,0|1,0,1]=4 980 B14R1.1237 O=C1CCC(=O)C1NCCCCCO 0743190c680642a347c43856cf8d60d3 [0,2,0,0,0,0|1,0,1]=4 981 B14R1.1237 O=C1CCC(=O)N1CCCCOCF 3998c981cbb4156890830a9f4f20c6fb [0,2,0,0,0,0|2,0,0]=4 982 B14R1.1237 O=C1CCC(=O)N1CCCNCCBr cd5c47a01208f6eb0d4a82aacdc3a5a0 [0,2,0,0,0,0|2,0,0]=4 983 B14R1.1237 O=C1CCC(=O)N1CCCNCCF 620a4fa0bb4882e45ce60729a456b7af [0,2,0,0,0,0|2,0,0]=4 984 B14R1.1237 O=C1CCC(=O)N1CCCNCCI 85c6c63e919196512aa628710733666c [0,2,0,0,0,0|2,0,0]=4 985 B14R1.1237 O=C1CCC(=O)N1CCCNCCO 886757faf1beb8a86b252257fc1d3c12 [0,2,0,0,0,0|2,0,0]=4 986 B14R1.1237 O=C1CCC(=O)N1CCCNCCS 665a8b0111cf573f8624f9bd8ce67e5d [0,2,0,0,0,0|2,0,0]=4 987 B14R1.1237 O=C1CCC(=O)N1CCCOCCF 224ca2859c5dd24c5e39822e1cf9a731 [0,2,0,0,0,0|2,0,0]=4 988 B14R1.1237 O=C1CCC(=O)N1CCCOCCS ee9948b3d8303f931c261dd569f7c3e6 [0,2,0,0,0,0|2,0,0]=4 989 B14R1.1237 O=C1CCC(=O)N1CCNCCCCl a7c0aeb5c47ac39283c0c1b1280075b2 [0,2,0,0,0,0|2,0,0]=4 990 B14R1.1237 O=C1CCC(=O)N1CCNCCCO dd7c5d0fd6323de7953e51e358682164 [0,2,0,0,0,0|2,0,0]=4 991 B14R1.1237 O=C1CCC(=O)N1CCOCCCF 9e9c04e1d9e41d194b39940dd9852ea5 [0,2,0,0,0,0|2,0,0]=4 992 B14R1.1237 O=C1CCC(=O)N1CCOCCCS 8800a177f9b76fcb37e0ab016b463ad9 [0,2,0,0,0,0|2,0,0]=4 993 B14R1.1237 O=C1CCC(=O)N1COCCCCF cd427a7e39c06456d097f112f6cc5bf0 [0,2,0,0,0,0|2,0,0]=4 994 B14R1.6507 C#CCCCOC1=C(CCC1=O)CC 175bd2f4143d636067d4e68099a4c708 [0,2,0,0,0,0|0,0,2]=4 995 B14R1.6507 C=CCCCOC1=C(CCC1=O)CC 495d06764a60b23dd7dea58c1f6404a1 [0,2,0,0,0,0|0,0,2]=4 996 B14R1.6507 CC/C=C/COC1=C(CCC1=O)CC ae1d66db7202c1547d6c9223d4a9c10d [0,2,0,0,0,0|0,0,2]=4 997 B14R1.6507 CCC1=C(C(=O)CC1)OCCCC#N fd8eacf2b8b34e4a85c054be8932ccd8 [0,2,0,0,0,0|1,0,1]=4 998 B14R1.6507 CCC1=C(C(=O)CC1)OCCCC=O 308ac9b416c80ecd6d198d53db9c4707 [0,2,0,0,0,0|1,0,1]=4 999 B14R1.6507 CCC1=C(C(=O)CC1)OCCCCF 947e3da63545ae929a67ee707cfe9018 [0,2,0,0,0,0|1,0,0]=3 1000 B14R1.6507 CCC1=C(C(=O)CC1)OCCCOC b061ad57fa96109e0f74ebaecbd3614a [0,2,0,0,0,0|1,0,0]=3 1001 B14R1.6507 CCC1=C(C(=O)CC1)OCCCSC 5d6af01b9c17468a89946d429855e786 [0,2,0,0,0,0|1,0,0]=3 1002 B14R1.6507 CCCCCNc1c(csc1C=O)C 36cf16dec18a8a138c9bec4b58ca6124 [0,2,0,0,0,0|1,0,1]=4 1003 B14R1.6507 CCCCCNc1c(n[nH]c1C=O)C 505d49bb6d698890c5c20883ad5f8f32 [0,2,0,0,0,0|2,0,0]=4 1004 B14R1.6507 CCCCCNc1c(nsc1C=O)C e65e597e8d3e4980a431d28e257fc20d [0,2,0,0,0,0|2,0,0]=4 1005 B14R1.6507 CCCCCOC1=C(CCC1=O)CC b6f31f12cd93e0cf5ed5319f65461053 [0,2,0,0,0,0|0,0,0]=2 1006 B14R1.6507 CCCNCCc1c([nH][nH]c1=O)CC 905e7568028e3b36e07e3bf9a4b22569 [0,2,0,0,0,0|2,0,0]=4 1007 B14R1.6507 CCOCCOC1=C(CCC1=O)CC 018db8d4f66dc2fd9ef04b71fd172322 [0,2,0,0,0,0|1,0,0]=3 1008 B14R1.6507 CCSCCOC1=C(CCC1=O)CC 98f2a81e5cedc32812aae615aedce671 [0,2,0,0,0,0|1,0,0]=3 1009 B14R1.7648 CCC(=O)OCOC1=C(CCC1=O)C 0faaf635fb686495d84ee1d8932e7f78 [0,2,0,0,0,0|1,0,1]=4 1010 B14R1.7648 CCC(C)CCOC1=C(CCC1=O)C c14f3a012efda11975eebc5618df9361 [0,2,0,0,0,0|0,0,0]=2 1011 B14R1.7648 CCC(C)CCOC1=C(COC1=O)C 3b0f2cce51f2b3fac71875ecdf76f077 [0,2,0,0,0,0|1,0,0]=3 1012 B14R1.7648 CCC(C)CCOC1=C(OCC1=O)C 5bceea3e938b22633740411c9a5ee987 [0,2,0,0,0,0|1,0,0]=3 1013 B14R1.7648 CCC(C)COC=C1C(=O)CCC1=O d98bec66d9984312d7e783afcfe4a7bc [0,2,0,0,0,0|1,0,1]=4 1014 B14R1.7648 CCC(C)COCN1C(=O)CCC1=O 5e12b5890a2ad95fa22e4e5379c71580 [0,2,0,0,0,0|2,0,0]=4 1015 B14R1.7648 CCC(C)NCCN1C(=O)CCC1=O 0321e66c019594b8e9b2c849c75f8240 [0,2,0,0,0,0|2,0,0]=4 1016 B14R1.7648 CCC(C)NCCc1c([nH][nH]c1=O)C 8cf2fd814415b3ea59e10331b0f20b34 [0,2,0,0,0,0|2,0,0]=4 1017 B14R1.7648 CCC(C)OCCN1C(=O)CCC1=O 7de3f528489ba07fd9c6e2458f796f69 [0,2,0,0,0,0|2,0,0]=4 1018 B14R1.7648 CCC(C)OCCc1c([nH][nH]c1=O)C d84947e4d927f8524bf7b4a129db48ae [0,2,0,0,0,0|2,0,0]=4 1019 B14R1.7648 CCC(S)CCOC1C(=O)CCC1=O 77bae0dd26f43bd3a750819ee71c13bf [0,2,0,0,0,0|1,0,1]=4 1020 B14R1.7648 CCN(C)CCCN1C(=O)CCC1=O eefa3f7cf82438736b202a3851a25f13 [0,2,0,0,0,0|2,0,0]=4 1021 B14R1.7648 CCS(=O)CCOC1=C(CCC1=O)C 630b673f3e10fd135a0885b2dd3e45ab [0,2,0,0,0,0|1,0,0]=3 1022 B14R1.7648 CCS(=O)CCOC1=C(COC1=O)C d2b92c96441b442481b4b8cdf82ed804 [0,2,0,0,0,0|2,0,0]=4 1023 B14R1.7648 CCS(=O)CCOC1=C(OCC1=O)C afcf5adc1dd81471faf93889ddeed61f [0,2,0,0,0,0|2,0,0]=4 1024 B14R1.7648 CC[C@@H](C)COC=C1C(=O)CCC1=O 8a979c5c15794a7f04a0ff04ec14c86b [0,2,0,0,0,0|1,0,1]=4 1025 B14R1.7648 CC[C@@H](C)COCN1C(=O)CCC1=O b7486c9e8f41afc5abe9782398672d8a [0,2,0,0,0,0|2,0,0]=4 1026 B14R1.7648 CC[C@@H](C)NCCN1C(=O)CCC1=O 9e5c57a3cb4066bfdba058e6d89cb1df [0,2,0,0,0,0|2,0,0]=4 1027 B14R1.7648 CC[C@@H](C)OCCN1C(=O)CCC1=O eea3f17f1539c4de110d5bf03f889854 [0,2,0,0,0,0|2,0,0]=4 1028 B14R1.7648 CC[C@H](C)COC=C1C(=O)CCC1=O 55f916b89ebe63fc582da7d8890abac6 [0,2,0,0,0,0|1,0,1]=4 1029 B14R1.7648 CC[C@H](C)COCN1C(=O)CCC1=O 007feec0ea7afee8bc308289aeb61024 [0,2,0,0,0,0|2,0,0]=4 1030 B14R1.7648 CC[C@H](C)NCCN1C(=O)CCC1=O 9b26ef318f349c7a5d58af0feb23b8cc [0,2,0,0,0,0|2,0,0]=4 1031 B14R1.7648 CC[C@H](C)OCCN1C(=O)CCC1=O f675e481b923a96226c5ce3e6446d29d [0,2,0,0,0,0|2,0,0]=4 1032 B14R1.7648 CNC(=O)CCOC1=C(CCC1=O)C 3415b38ca17e985e515bcd888705cf19 [0,2,0,0,0,0|1,0,1]=4 1033 B14R1.7648 COC(=O)CCOC1=C(CCC1=O)C 761e633e1980873b703e1490d6f0088e [0,2,0,0,0,0|1,0,1]=4 1034 B14R1.9532 C=C(C)CCCOC1=C(CCC1=O)C e492723181df23d4d25f9a8000ef185f [0,2,0,0,0,0|0,0,1]=3 1035 B14R1.9532 C=C(C)CCCOC1=C(OCC1=O)C 60be8b819bb95ff09d8295d607b64dbb [0,2,0,0,0,0|1,0,1]=4 1036 B14R1.9532 CC(=CCCOC1=C(CCC1=O)C)C b463b36504fedf90a039a453638e7fc3 [0,2,0,0,0,0|0,0,2]=4 1037 B14R1.9532 CC(=O)CCCOC1=C(CCC1=O)C b594e5b065bc2f655d37cf351fcbd704 [0,2,0,0,0,0|0,0,1]=3 1038 B14R1.9532 CC(=O)CCCOC1=C(COC1=O)C 68888c2bc69a76586092bd7e332d04d0 [0,2,0,0,0,0|1,0,1]=4 1039 B14R1.9532 CC(=O)CCCOC1=C(OCC1=O)C a3e0cae7de2eef41b91543ba2b1488cd [0,2,0,0,0,0|1,0,1]=4 1040 B14R1.9532 CC(=O)NCCOC1=C(CCC1=O)C 13b225234e32c658c75182588e333f43 [0,2,0,0,0,0|1,0,1]=4 1041 B14R1.9532 CC(=O)OCCOC1=C(CCC1=O)C 5502d2044ef563493b3a0c254d998cda [0,2,0,0,0,0|1,0,1]=4 1042 B14R1.9532 CC(=O)SCCOC1=C(CCC1=O)C 12eef92b25db66167b10f736dc890b7a [0,2,0,0,0,0|1,0,1]=4 1043 B14R1.9532 CC(C)CCCNC1C(=O)CCC1=O 053aa311758e5f3ccddc8dbeb46c49cc [0,2,0,0,0,0|1,0,1]=4 1044 B14R1.9532 CC(C)CCOC=C1C(=O)CCC1=O db1f9511531f405828a6bdac73912074 [0,2,0,0,0,0|1,0,1]=4 1045 B14R1.9532 CC(C)CCOCN1C(=O)CCC1=O 6204d139b746bad2043857235bbd11f2 [0,2,0,0,0,0|2,0,0]=4 1046 B14R1.9532 CC(C)CNCCN1C(=O)CCC1=O 53269faa4b76353e89805a17937758bc [0,2,0,0,0,0|2,0,0]=4 1047 B14R1.9532 CC(C)COCCN1C(=O)CCC1=O 32f4a58a0402e3c41b358865dfef7f52 [0,2,0,0,0,0|2,0,0]=4 1048 B14R1.9532 CC(C)OCCCN1C(=O)CCC1=O 3fe40b40df2b8a34477ed91a47ff0eff [0,2,0,0,0,0|2,0,0]=4 1049 B14R1.9532 CC(F)COCCN1C(=O)CCC1=O 14c6bfaf0f79414a6f6352438246e61a [0,2,0,0,0,0|2,0,0]=4 1050 B14R1.9532 CC(O)CNCCN1C(=O)CCC1=O 7d76b0aa22cb18c6e93ef779ed4d06cf [0,2,0,0,0,0|2,0,0]=4 1051 B14R1.9532 CC(S)COCCN1C(=O)CCC1=O 7d516015f2cf82b1aa882bc12631a252 [0,2,0,0,0,0|2,0,0]=4 1052 B14R1.9532 CC1=C(C(=O)CC1)OC/C=C/C(C)C a79ba5b3285b8187c0e888c3ad2d8d61 [0,2,0,0,0,0|0,0,2]=4 1053 B14R1.9532 CC1=C(C(=O)CC1)OCCCC(=O)N 46b657f2f706762fe2d042a974d1ce18 [0,2,0,0,0,0|1,0,1]=4 1054 B14R1.9532 CC1=C(C(=O)CC1)OCCCC(C)C e9934eb1ee55e5bb5eee8b96d956a34a [0,2,0,0,0,0|0,0,0]=2 1055 B14R1.9532 CC1=C(C(=O)CC1)OCCCN(C)C b582fa450aa11cb59ba5ff02cb076a9f [0,2,0,0,0,0|1,0,0]=3 1056 B14R1.9532 CC1=C(C(=O)CC1)OCCC[N+](=O)[O-] 0ddfa63ccbf6bc7731687c8de134cd23 [0,2,0,0,0,0|2,0,0]=4 1057 B14R1.9532 CC1=C(C(=O)CC1)OCCOC(C)C 49bc410ce480cd1d93b6c74d714c91d2 [0,2,0,0,0,0|1,0,0]=3 1058 B14R1.9532 CC1=C(C(=O)CC1)OCCOC(F)F 9a86875b0cbdf1f487e7b43b46437b1b [0,2,0,0,0,0|2,0,0]=4 1059 B14R1.9532 CC1=C(C(=O)CC1)OCCSC(C)C d275b906649de0ba48449643d416c5e2 [0,2,0,0,0,0|1,0,0]=3 1060 B14R1.9532 CC1=C(C(=O)CO1)OCCCC(C)C 4c30aaa9762d68d4df84bdaa1c7e52a1 [0,2,0,0,0,0|1,0,0]=3 1061 B14R1.9532 CC1=C(C(=O)CO1)OCCCN(C)C 251faa32a0fb8589dfa00a7248ac78fd [0,2,0,0,0,0|2,0,0]=4 1062 B14R1.9532 CC1=C(C(=O)CO1)OCCOC(C)C f549ba3a6d9b1f4c4a06345b72f17873 [0,2,0,0,0,0|2,0,0]=4 1063 B14R1.9532 CC1=C(C(=O)CO1)OCCSC(C)C 81cce9217928d8e7bc81e25555ec777f [0,2,0,0,0,0|2,0,0]=4 1064 B14R1.9532 CC1=C(C(=O)OC1)OCCCC(C)C 417f4c93f2d641125cb598e90abcc002 [0,2,0,0,0,0|1,0,0]=3 1065 B14R1.9532 CC1=C(C(=O)OC1)OCCCN(C)C a83d7477842455e73f99a9b854ef7f98 [0,2,0,0,0,0|2,0,0]=4 1066 B14R1.9532 CC1=C(C(=O)OC1)OCCOC(C)C a133050a4807b0176bac64d33d48c3eb [0,2,0,0,0,0|2,0,0]=4 1067 B14R1.9532 CC1=C(C(=O)OC1)OCCSC(C)C 1a5b6d37dceacab8db200e4907e759d1 [0,2,0,0,0,0|2,0,0]=4 1068 B14R1.9532 C[C@@H](F)COCCN1C(=O)CCC1=O 18319d2c459df88bda0c7aecbc494994 [0,2,0,0,0,0|2,0,0]=4 1069 B14R1.9532 C[C@@H](O)CNCCN1C(=O)CCC1=O e0b5a28651f4c33d8dda7cade9c9fcd5 [0,2,0,0,0,0|2,0,0]=4 1070 B14R1.9532 C[C@H](F)COCCN1C(=O)CCC1=O e6a731233eb0d803126eaa247334b511 [0,2,0,0,0,0|2,0,0]=4 1071 B14R1.9532 C[C@H](O)CNCCN1C(=O)CCC1=O 77ac7e8f658d0e6db02b7cb73de7d798 [0,2,0,0,0,0|2,0,0]=4 1072 B14R1.9532 Cc1[nH][nH]c(=O)c1CCNCC(C)C 22aff3bee9b0a95c06f19c6ff59d0f3d [0,2,0,0,0,0|2,0,0]=4 1073 B14R1.9532 Cc1[nH][nH]c(=O)c1CCNCC(C)O 2ce2cfba91ebefeaa5a19f8c32e4dc55 [0,2,0,0,0,0|2,0,0]=4 1074 B14R1.9532 Cc1[nH][nH]c(=O)c1CCNC[C@@H](C)O 803f81092ff65061ccfafe7988ba29c9 [0,2,0,0,0,0|2,0,0]=4 1075 B14R1.9532 Cc1[nH][nH]c(=O)c1CCNC[C@H](C)O 197f32e47d46033fd3c0e81aa9d7486e [0,2,0,0,0,0|2,0,0]=4 1076 B14R1.9532 Cc1[nH][nH]c(=O)c1CCOCC(C)C e5455c6292264f86143031d15cc62038 [0,2,0,0,0,0|2,0,0]=4 1077 B14R1.10327 C=CCCC(C)OC1=C(CCC1=O)C 565a111ff4b91440f70525fa4d78606e [0,2,0,0,0,0|0,0,2]=4 1078 B14R1.10327 CC1=C(C(=O)CC1)OC(C)CCC#N 9e108a825592bfbc9f75a76fe01634ad [0,2,0,0,0,0|1,0,1]=4 1079 B14R1.10327 CCCCC(C)OC1=C(CCC1=O)C 8099c82d7aa920e53bb34118b61cf95d [0,2,0,0,0,0|0,0,0]=2 1080 B14R1.10327 CCCCC(C)OC1=C(OCC1=O)C 2ac32eda837a609a7100695ad0d3bbca [0,2,0,0,0,0|1,0,0]=3 1081 B14R1.13103 C#CCCCOC1=C(C(CC1=O)C)C b9c394150cfcaca4dd290d3cdabd8228 [0,2,0,0,0,0|0,0,2]=4 1082 B14R1.13103 C=CCCCOC1=C(C(CC1=O)C)C 12e6b162bab64ce59b8f36e7a1e012c6 [0,2,0,0,0,0|0,0,2]=4 1083 B14R1.13103 CC/C=C/COC1=C(C(CC1=O)C)C a457ed8605d2cf0d220845aef31d61ed [0,2,0,0,0,0|0,0,2]=4 1084 B14R1.13103 CC1=C(C(=O)C(O1)C)OCCCCF b12df79ed1d4fe298c3916cfc2752743 [0,2,0,0,0,0|2,0,0]=4 1085 B14R1.13103 CC1=C(C(=O)CC1C)OCCCC#N 4609131cad1f2afe178ba348f3060abd [0,2,0,0,0,0|1,0,1]=4 1086 B14R1.13103 CC1=C(C(=O)CC1C)OCCCC=O 08980dc13f452394b0952dde70cc3ba6 [0,2,0,0,0,0|1,0,1]=4 1087 B14R1.13103 CC1=C(C(=O)CC1C)OCCCCF 1e2278a3ccebf74912462299eb1f2bdb [0,2,0,0,0,0|1,0,0]=3 1088 B14R1.13103 CC1=C(C(=O)OC1C)OCCCCF a5d8ac64b815dd6515e83472e33aa751 [0,2,0,0,0,0|2,0,0]=4 1089 B14R1.13103 CCCCCOC1=C(C(CC1=O)C)C f95a4d354dc4fa4a0dcb68b11212533b [0,2,0,0,0,0|0,0,0]=2 1090 B14R1.13103 CCCCCOC1=C(C(OC1=O)C)C 648ec4b7b94b3de9859e17e1ce97ca75 [0,2,0,0,0,0|1,0,0]=3 1091 B14R1.13103 CCCCCOC1=C(OC(C1=O)C)C 3d85e4a946fc6cb0b33f591cb7e82164 [0,2,0,0,0,0|1,0,0]=3 1092 B14R1.13103 CCCOCCc1c([nH]n(c1=O)C)C 04dc815773d3f8421b446c281e536ffc [0,2,0,0,0,0|2,0,0]=4 1093 B14R1.13103 CCOCCOC1=C(C(CC1=O)C)C fa384553c2ee106535246ed6ad587971 [0,2,0,0,0,0|1,0,0]=3 1094 B14R1.13103 CCOCCOC1=C(C(OC1=O)C)C eac8e96c00b2149bbb861499fee2eccc [0,2,0,0,0,0|2,0,0]=4 1095 B14R1.13103 CCOCCOC1=C(OC(C1=O)C)C c738041fa85fdce94b01cd4254e7badb [0,2,0,0,0,0|2,0,0]=4 1096 B14R1.13103 CCSCCOC1=C(C(CC1=O)C)C b81ae940142ddb933f62426b0bb3560c [0,2,0,0,0,0|1,0,0]=3 1097 B14R1.13103 CCSCCOC1=C(C(OC1=O)C)C ff798cd957805d0a87ef17ec401514af [0,2,0,0,0,0|2,0,0]=4 1098 B14R1.13103 CCSCCOC1=C(OC(C1=O)C)C db3fb40fb2aa2fcbc7d057268252abe8 [0,2,0,0,0,0|2,0,0]=4 1099 B14R1.13103 COCCCOC1=C(C(CC1=O)C)C 53fd39adc3e9b1f54cb4a5caa6ee81c4 [0,2,0,0,0,0|1,0,0]=3 1100 B14R1.13103 COCCCOC1=C(C(OC1=O)C)C 9675ab651668fb57b26e181d1395a045 [0,2,0,0,0,0|2,0,0]=4 1101 B14R1.13103 COCCCOC1=C(OC(C1=O)C)C 9c39eee97271b6df96cae01a6fd7647e [0,2,0,0,0,0|2,0,0]=4 1102 B14R1.13103 CSCCCOC1=C(C(CC1=O)C)C e35ab6b6cc11ce3fb5b987d9e1f5c545 [0,2,0,0,0,0|1,0,0]=3 1103 B14R1.13103 CSCCCOC1=C(C(OC1=O)C)C 3e79205066cfee42a8ee68342550f059 [0,2,0,0,0,0|2,0,0]=4 1104 B14R1.13103 CSCCCOC1=C(OC(C1=O)C)C 2ff6294011febfb842ff58852b686bad [0,2,0,0,0,0|2,0,0]=4 1105 B14R1.18023 C=CCC(C)COC1=C(CCC1=O)C 649668b958e7750a3799c3add27185a3 [0,2,0,0,0,0|0,0,2]=4 1106 B14R1.18023 CC1=C(C(=O)CC1)OC[C@@H](O)CCO ae2c339d26e3b27407d1d5aab9644018 [0,2,0,0,0,0|1,0,0]=3 1107 B14R1.18023 CC1=C(C(=O)CO1)OC[C@@H](O)CCO dac6992ef64e7fb2bf50593b7dfacc52 [0,2,0,0,0,0|2,0,0]=4 1108 B14R1.18023 CCCC(=O)COC1=C(CCC1=O)C 51ccdfad7e91e791291190d8759db9cf [0,2,0,0,0,0|0,0,1]=3 1109 B14R1.18023 CCCC(=O)COC1=C(COC1=O)C 0e1dc0f2d593828f2520440b9471e9ec [0,2,0,0,0,0|1,0,1]=4 1110 B14R1.18023 CCCC(=O)COC1=C(OCC1=O)C 69484463030be53f86b2fc695b6eae27 [0,2,0,0,0,0|1,0,1]=4 1111 B14R1.18023 CCCC(C)COC1=C(CCC1=O)C d6c5faacfaa3241163a0f8067faf9df5 [0,2,0,0,0,0|0,0,0]=2 1112 B14R1.18023 CCCC(C)COC1=C(COC1=O)C 40be3359d554ba8f800acd1372f2d056 [0,2,0,0,0,0|1,0,0]=3 1113 B14R1.18023 CCCC(C)COC1=C(OCC1=O)C c7ca9d1880737ee4d31a290bd3088c75 [0,2,0,0,0,0|1,0,0]=3 1114 B14R1.18023 CCCC(C)COC1C(=O)CCC1=O 634ef6d681bd2adb0231d31b55b5cdf4 [0,2,0,0,0,0|1,0,1]=4 1115 B14R1.18023 CCCC(C)OC=C1C(=O)CCC1=O 939cd0bf8e6c508c7b4e168c4b76105c [0,2,0,0,0,0|1,0,1]=4 1116 B14R1.18023 CCCC(C)OCN1C(=O)CCC1=O 3bd06712d7308d7147eaf771d5854a43 [0,2,0,0,0,0|2,0,0]=4 1117 B14R1.18023 CCCN(C)CCN1C(=O)CCC1=O b2c714e0e3e560298331fe190d020dbb [0,2,0,0,0,0|2,0,0]=4 1118 B14R1.18023 CCNC(=O)COC1=C(CCC1=O)C 4eda4fcfa251328d04970f25e986d59b [0,2,0,0,0,0|1,0,1]=4 1119 B14R1.18023 CCOC(=O)COC1=C(CCC1=O)C 5d07f850d5ed2b2a7778966b00287173 [0,2,0,0,0,0|1,0,1]=4 1120 B14R1.18023 COCC(=O)COC1=C(CCC1=O)C d87b86aa9b505b25d23a5813fac3c340 [0,2,0,0,0,0|1,0,1]=4 1121 B14R1.3666 C=C(CC)COC1=C(CCC1=O)CC ee0e134d3c1618b969d9ce01c6065bb6 [0,2,0,0,0,0|1,0,1]=4 1122 B14R1.3666 CCC(=O)COC1=C(CCC1=O)CC 70508c444e79aaf734c58145ef978737 [0,2,0,0,0,0|1,0,1]=4 1123 B14R1.3666 CCC1=C(C(=O)CC1)OCC(C)CC 7d5be5b405e92f22305c8ba72b15eb72 [0,2,0,0,0,0|1,0,0]=3 1124 B14R1.3666 CCC1=C(C(=O)CC1)OCC(C)OC e54c6d11bfa748681190e405af85bbf7 [0,2,0,0,0,0|2,0,0]=4 1125 B14R1.3666 CCC1=C(C(=O)CC1)OCC(O)CO 6e0a13b343297caf37de9b36e341f56a [0,2,0,0,0,0|2,0,0]=4 1126 B14R1.3666 CCC1=C(C(=O)CC1)OC[C@@H](C)CC 9007c827ec11d059d2d51b633b39e949 [0,2,0,0,0,0|1,0,0]=3 1127 B14R1.3666 CCC1=C(C(=O)CC1)OC[C@@H](C)OC 706ca576df1f920d1a1f76b271770bfb [0,2,0,0,0,0|2,0,0]=4 1128 B14R1.3666 CCC1=C(C(=O)CC1)OC[C@@H](O)CO e8e7841c5989134d98160063cae76294 [0,2,0,0,0,0|2,0,0]=4 1129 B14R1.3666 CCC1=C(C(=O)CC1)OC[C@H](C)CC 59eaac54d28ca826571ce0cd7747c111 [0,2,0,0,0,0|1,0,0]=3 1130 B14R1.3666 CCC1=C(C(=O)CC1)OC[C@H](C)OC 85fd5afa58462b8d66c54985cf987e85 [0,2,0,0,0,0|2,0,0]=4 1131 B14R1.3666 CCC1=C(C(=O)CC1)OC[C@H](O)CO e136193a0b6f0b04b00031e31dc6af67 [0,2,0,0,0,0|2,0,0]=4 1132 B14R1.4443 CC1=C(C(=O)CC1)OCC(=O)C(C)C b4e9293b7b1ed535213279fa43c37ab3 [0,2,0,0,0,0|1,0,1]=4 1133 B14R1.4443 CC1=C(C(=O)CC1)OCC(C)C(C)C 40854a81ba08a05ae7fd5330a545f4ff [0,2,0,0,0,0|1,0,0]=3 1134 B14R1.4443 CC1=C(C(=O)CO1)OCC(C)C(C)C 89cca733be9e91694fc920932943c6e7 [0,2,0,0,0,0|2,0,0]=4 1135 B14R1.4443 CC1=C(C(=O)OC1)OCC(C)C(C)C 5432ee8cd4396aa235c1fe48604a010f [0,2,0,0,0,0|2,0,0]=4 1136 B14R1.13089 CCC(=O)C(C)OC1=C(CCC1=O)C 0f2972dfe2c6380ae92b7de4a452a14a [0,2,0,0,0,0|1,0,1]=4 1137 B14R1.15260 CCS(=O)(=O)COC1=C(CCC1=O)C 6aa4dd1cecdd760a92e4ed8f189f9e17 [0,2,0,0,0,0|2,0,0]=4 1138 B14R1.15260 COC(C)(C)COC1=C(CCC1=O)C a79353157daaed19e3b5bd0b2004264c [0,2,0,0,0,0|2,0,0]=4 1139 B14R1.18420 CCC(CC)COC1=C(CCC1=O)C 3ac8de3dd6e7bb28497c67544c243941 [0,2,0,0,0,0|1,0,0]=3 1140 B14R1.18420 CCC(CC)COC1=C(COC1=O)C 268b3bdd7faf16d503c692b3b514dd1a [0,2,0,0,0,0|2,0,0]=4 1141 B14R1.18420 CCC(CC)COC1=C(OCC1=O)C 55ec7b0a57bbe27eaee2317238700306 [0,2,0,0,0,0|2,0,0]=4 1142 B14R1.18420 COC(COC1=C(CCC1=O)C)OC 0819a7c703bfd316900e0ea32d7813a8 [0,2,0,0,0,0|2,0,0]=4 1143 B14R1.19600 C=C(CC)COC1=C(C(CC1=O)C)C 52f29a4cd973008ee055b212187f7a40 [0,2,0,0,0,0|1,0,1]=4 1144 B14R1.19600 CC1=C(C(=O)CC1C)OCC(O)CO ae1373eb99ac4cfc1a39882b37230249 [0,2,0,0,0,0|2,0,0]=4 1145 B14R1.19600 CC1=C(C(=O)CC1C)OC[C@@H](O)CO 85af8d9b3b698b7381e1c568dcabf6f6 [0,2,0,0,0,0|2,0,0]=4 1146 B14R1.19600 CC1=C(C(=O)CC1C)OC[C@H](O)CO a8b8fe81a6ccc54baa900e89332cbb85 [0,2,0,0,0,0|2,0,0]=4 1147 B14R1.19600 CCC(=O)COC1=C(C(CC1=O)C)C 44b1ecf30d1a957f967008c29bf56c73 [0,2,0,0,0,0|1,0,1]=4 1148 B14R1.19600 CCC(C)COC1=C(C(CC1=O)C)C f243f5cc81ca9eaa7f2fa501387f5a04 [0,2,0,0,0,0|1,0,0]=3 1149 B14R1.19600 CCC(C)COC1=C(C(OC1=O)C)C e895ba3ed87728c14006c736c6cb79bf [0,2,0,0,0,0|2,0,0]=4 1150 B14R1.19600 CCC(C)COC1=C(OC(C1=O)C)C 27649820e4c4f359b01bfae652754042 [0,2,0,0,0,0|2,0,0]=4 1151 B14R1.19600 CC[C@@H](C)COC1=C(C(CC1=O)C)C f4d4bb9d16d07392633e986bb12fbb2f [0,2,0,0,0,0|1,0,0]=3 1152 B14R1.19600 CC[C@@H](C)COC1=C(OC(C1=O)C)C a63943d2354d1f3c6af9f9165d86482a [0,2,0,0,0,0|2,0,0]=4 1153 B14R1.19600 CC[C@H](C)COC1=C(C(CC1=O)C)C 93cfc61079733deca8c8a6b6ab8d5672 [0,2,0,0,0,0|1,0,0]=3 1154 B14R1.19600 CC[C@H](C)COC1=C(C(OC1=O)C)C be9dbee626c6021555f666147095b943 [0,2,0,0,0,0|2,0,0]=4 1155 B14R1.19600 CC[C@H](C)COC1=C(OC(C1=O)C)C bc87b59e5f38fbe06e0600336a19b923 [0,2,0,0,0,0|2,0,0]=4 1156 B14R1.19600 COC(C)COC1=C(C(CC1=O)C)C 95a4541d36319e64f17c524943775874 [0,2,0,0,0,0|2,0,0]=4 1157 B14R1.19600 CO[C@@H](C)COC1=C(C(CC1=O)C)C 02bb1517a814c60f11ec02066b09c172 [0,2,0,0,0,0|2,0,0]=4 1158 B14R1.19600 CO[C@H](C)COC1=C(C(CC1=O)C)C 956207cf700cd4e62c701b4bb3d95197 [0,2,0,0,0,0|2,0,0]=4 1159 B14R1.2646 CCC1=C(C(=O)CC1)OC(C)COC 036df623dd7db20611f2dcdfe463503b [0,2,0,0,0,0|2,0,0]=4 1160 B14R1.2646 CCCC(C)OC1=C(CCC1=O)CC f595383acb3052cd3ea5aac424cb491b [0,2,0,0,0,0|1,0,0]=3 1161 B14R1.9530 CC1=C(C(=O)CC1)OC(C)CC(C)C 4f4922c10cb189d0ebe749ff66aec4b7 [0,2,0,0,0,0|1,0,0]=3 1162 B14R1.9530 CC1=C(C(=O)CO1)OC(C)CC(C)C 49a5bf73c1d5262444838174f27f59af [0,2,0,0,0,0|2,0,0]=4 1163 B14R1.9530 CC1=C(C(=O)OC1)OC(C)CC(C)C ca9e639f1a64af22b2dc477ede243f76 [0,2,0,0,0,0|2,0,0]=4 1164 B14R1.10993 CC1=C(C(=O)CC1)O[C@@H](CO)CCO 68ca550bba78a0d091d451217fdc029b [0,2,0,0,0,0|2,0,0]=4 1165 B14R1.10993 CCCC(CC)OC1=C(CCC1=O)C d73db46401499265fe7f47af19026bfb [0,2,0,0,0,0|1,0,0]=3 1166 B14R1.10993 CCCC(CC)OC1=C(COC1=O)C fc072238007c40327b82c89bb691893d [0,2,0,0,0,0|2,0,0]=4 1167 B14R1.10993 CCCC(CC)OC1=C(OCC1=O)C 3edd9e2a0b6bb7a9cd90d5f68fe3f592 [0,2,0,0,0,0|2,0,0]=4 1168 B14R1.18870 CCCC(C)OC1=C(C(CC1=O)C)C 92d49bb86084ebd6d85c7def94422519 [0,2,0,0,0,0|1,0,0]=3 1169 B14R1.18870 CCCC(C)OC1=C(C(OC1=O)C)C 799f604944d40bcef37618628267b7f1 [0,2,0,0,0,0|2,0,0]=4 1170 B14R1.18870 CCCC(C)OC1=C(OC(C1=O)C)C 098da18413d018b10de4e9f045cc2dc0 [0,2,0,0,0,0|2,0,0]=4 1171 B14R1.18870 COCC(C)OC1=C(C(CC1=O)C)C 217a46c77696972f2620c359ae3cf5f7 [0,2,0,0,0,0|2,0,0]=4 1172 B14R1.3267 CCCCOC1=C(OC(C1=O)C)CC 06a100b3b4ee3cbbe087cece2c7a618c [0,2,0,0,0,0|2,0,0]=4 1173 B14R1.3663 C=C(C)CCOC1=C(CCC1=O)CC ecef29eb89d3244b04246400959d4caf [0,2,0,0,0,0|1,0,1]=4 1174 B14R1.3663 CCC1=C(C(=O)CC1)OCCC(=O)C d405953645c46128186a4a6c3eaae7f0 [0,2,0,0,0,0|1,0,1]=4 1175 B14R1.3663 CCC1=C(C(=O)CC1)OCCC(C)C 1302dccd9f12677d630df9525006b27b [0,2,0,0,0,0|1,0,0]=3 1176 B14R1.3663 CCC1=C(C(=O)CC1)OCCN(C)C 34d763ea556167eedc62f3190d1ebb8e [0,2,0,0,0,0|2,0,0]=4 1177 B14R1.3663 CCC1=C(C(=O)CC1)OCCS(=O)C 0b2ce93b2765d0eab486bc745f6849ba [0,2,0,0,0,0|2,0,0]=4 1178 B14R1.3663 CCC1=C(C(=O)CC1)OCOC(C)C c58db7e3c6da8522d11033cd87138a0d [0,2,0,0,0,0|2,0,0]=4 1179 B14R1.9533 CC1=C(C(=O)CC1)OCCC(C)(C)C 02913917801d6fdbc74d5237dd14848d [0,2,0,0,0,0|1,0,0]=3 1180 B14R1.9533 CC1=C(C(=O)CC1)OCCC(C)(C)O 0b728e34cbc018a7fba8a2430a968efa [0,2,0,0,0,0|1,0,0]=3 1181 B14R1.9533 CC1=C(C(=O)CC1)OCCC(C)(F)F 942b397fbe0f7e0bc6d7e09428e78ec6 [0,2,0,0,0,0|1,0,0]=3 1182 B14R1.9533 CC1=C(C(=O)CC1)OCCC(F)(F)F 42d41e5e191c22b100dcbeb0b3022d9d [0,2,0,0,0,0|2,0,0]=4 1183 B14R1.9533 CC1=C(C(=O)CC1)OCCS(=O)(=O)C ca80ab669789ceec0c09e2abe2703841 [0,2,0,0,0,0|2,0,0]=4 1184 B14R1.9533 CC1=C(C(=O)CO1)OCCC(C)(C)C 404259b43593d179c930f2a2b2134b93 [0,2,0,0,0,0|2,0,0]=4 1185 B14R1.9533 CC1=C(C(=O)CO1)OCCC(C)(C)O 74fe6d7cbf7c2fca92455ade50b2f8f2 [0,2,0,0,0,0|2,0,0]=4 1186 B14R1.9533 CC1=C(C(=O)CO1)OCCC(C)(F)F 20bb4b10204a32f065e1bd62fdfc7930 [0,2,0,0,0,0|2,0,0]=4 1187 B14R1.9533 CC1=C(C(=O)OC1)OCCC(C)(C)C 4208a6f06ffff0be5656b7bf76ac11ce [0,2,0,0,0,0|2,0,0]=4 1188 B14R1.9533 CC1=C(C(=O)OC1)OCCC(C)(C)O 7ebd83d7761b4c8d76e4eebc29c96332 [0,2,0,0,0,0|2,0,0]=4 1189 B14R1.9533 CC1=C(C(=O)OC1)OCCC(C)(F)F 8eaec8a76ac5770efc81a408cfb8a315 [0,2,0,0,0,0|2,0,0]=4 1190 B14R1.15887 C=C(C)CCOC1=C(C(CC1=O)C)C 44e62678b255a00fb2cab7640c362d5c [0,2,0,0,0,0|1,0,1]=4 1191 B14R1.15887 CC(=O)CCOC1=C(C(CC1=O)C)C 924e603759935bbb1f74a752a32b9bc5 [0,2,0,0,0,0|1,0,1]=4 1192 B14R1.15887 CC1=C(C(=O)C(O1)C)OCCC(C)C da77f82ac86924edb8bc6b3784960ddf [0,2,0,0,0,0|2,0,0]=4 1193 B14R1.15887 CC1=C(C(=O)CC1C)OCCC(C)C 04dadcb37a9c54084013a33ecc6e82f5 [0,2,0,0,0,0|1,0,0]=3 1194 B14R1.15887 CC1=C(C(=O)CC1C)OCCN(C)C d2410fdd9a9926cf5fdc936589dd125b [0,2,0,0,0,0|2,0,0]=4 1195 B14R1.15887 CC1=C(C(=O)CC1C)OCCS(=O)C 99486a4108aa019325af351081c8b823 [0,2,0,0,0,0|2,0,0]=4 1196 B14R1.15887 CC1=C(C(=O)CC1C)OCOC(C)C 0ed7e0fe95c9fb1cebace79efc9e61b7 [0,2,0,0,0,0|2,0,0]=4 1197 B14R1.15887 CC1=C(C(=O)OC1C)OCCC(C)C 00d22a8477bfd1a7fa2ce1f3bcde7739 [0,2,0,0,0,0|2,0,0]=4 1198 B14R1.17003 CCCCOC1=C(C(OC1=O)CC)C bdcaeca86db0df1dd4944306dd5aba4e [0,2,0,0,0,0|2,0,0]=4 1199 B14R1.17003 CCCCOC1=C(OC(C1=O)CC)C e19ac2fc9d192883d25d6790e7845177 [0,2,0,0,0,0|2,0,0]=4 1200 B12R1.5 CCC(=O)N1CCC(CC1)CC d9a09ef9c998684ba63f763072b91a22 [0,0,1,1,0,0|1,0,1]=4 1201 B12R1.179 CCCC1CCN(C1)C(=O)CC 385f88cdf90d6a5525d60ab5638c587e [0,0,1,1,0,0|1,0,1]=4 1202 B12R1.179 CCNC1CC=C(C1)C(=O)OC 96a26fde1ab056ae8335dda3b170cab0 [0,0,1,1,0,0|2,0,0]=4 1203 B12R1.267 CCCOCC1=CCCCC1=O 013e4c3a1c1f85272d4cf98d7a8f0a87 [0,0,1,1,0,0|1,0,0]=3 1204 B12R1.267 COCOCC1=CCCCC1=O 2a9a43629833cec49834833196c18142 [0,0,1,1,0,0|2,0,0]=4 1205 B12R1.267 CSCOCC1=CCCCC1=O ef9b45481bc1951013d0b43b93aa658f [0,0,1,1,0,0|2,0,0]=4 1206 B12R1.267 O=C1CCCC=C1COCCF e9efce950d590757ea98f1ad24cab7d1 [0,0,1,1,0,0|2,0,0]=4 1207 B12R1.267 O=C1CCCC=C1COCCS 7deabffc6a08989fecc813b4e7d09652 [0,0,1,1,0,0|2,0,0]=4 1208 B12R1.357 CCC(=O)N(CC)C1CCCC1 2800a631080d19ceb7a103ad015a9d36 [0,0,1,1,0,0|1,0,1]=4 1209 B12R1.365 CCC(=O)N1CCCCCC1C aced5a7e9c91dbc3cfbebe48cb0227e1 [0,0,1,1,0,0|1,0,1]=4 1210 B12R1.1658 CCC(=O)N1CCCC(CC1)C 5178704c0c4e0305aa3be67cbf9a82a8 [0,0,1,1,0,0|1,0,1]=4 1211 B12R1.1659 CCC(=O)N1CCCCCCC1 9af2e7f6306dea747b93f5f7a3212cc1 [0,0,1,1,0,0|1,0,1]=4 1212 B12R1.7 CCCCCOC1=CC(=O)CC1 2984e20894b01b349c191501961a2c92 [0,0,1,1,0,0|1,0,1]=4 1213 B12R1.7 CCCCCOC1CCC(=O)C1 49023c98b372362affe65588ab23acd0 [0,0,1,1,0,0|1,0,1]=4 1214 B12R1.30 CN(CCC=O)C1CCCCC1 fed2b7130cd8108cb4d0cbe9c88badf7 [0,0,1,1,0,0|1,0,1]=4 1215 B12R1.53 C/C=C/CC(=O)NC1CCCC1 fe3421f3df723cd1166e6812ada4483f [0,0,1,1,0,0|1,0,1]=4 1216 B12R1.53 C=CCCC(=O)NC1CCCC1 290f1015f72e8ce9933a2fd43067af5c [0,0,1,1,0,0|1,0,1]=4 1217 B12R1.53 CCCCC(=O)NC1CCCC1 ffe0944aa7dffceb8b72efd3831dfd91 [0,0,1,1,0,0|1,0,1]=4 1218 B12R1.53 CN(CCC=O)CC1CCCC1 f3b348f4ca7dd3d3c20155200f74dc85 [0,0,1,1,0,0|1,0,1]=4 1219 B12R1.53 COCCC(=O)NC1CCCC1 0335f0bedde6a8c40f7e26561a2c664c [0,0,1,1,0,0|2,0,0]=4 1220 B12R1.53 CSCCC(=O)NC1CCCC1 f1242f45ed51f12d20fe65676e5715ec [0,0,1,1,0,0|2,0,0]=4 1221 B12R1.53 O=CCCC(=O)NC1CCCC1 e11465194743e27c0d14c03a0e0d46e5 [0,0,1,1,0,0|2,0,0]=4 1222 B12R1.329 O=CCCN1CCCCCCC1 e22005f68ac690a5dded217cc6bfb4bb [0,0,1,1,0,0|1,0,1]=4 1223 B12R1.340 CCCC1CCN(C1)CCC=O 010d93e326231ec2122d013950d1db47 [0,0,1,1,0,0|1,0,1]=4 1224 B12R1.382 CCC1CCCN(C1)CCC=O da8dd77dcb911663fb33a746bfd2b1f1 [0,0,1,1,0,0|1,0,1]=4 1225 B12R1.461 C/C=C/CC(=O)N1CCC1CC b55627f5a8abb225a162c851a2b09e2f [0,0,1,1,0,0|1,0,1]=4 1226 B12R1.461 C=CCCC(=O)N1CCC1CC 44aa3bebee0f67f1323c345e1b1fd0b2 [0,0,1,1,0,0|1,0,1]=4 1227 B12R1.461 CCC1CCN1C(=O)CCC=O f5702d4895adade86fa2eca3faaa632b [0,0,1,1,0,0|2,0,0]=4 1228 B12R1.461 CCC1CCN1C(=O)CCOC f071146793c665de56f3df9a99a2b33c [0,0,1,1,0,0|2,0,0]=4 1229 B12R1.461 CCC1CCN1C(=O)CCSC dd3b1c7f25d6ba77ae9b1f99c66c8268 [0,0,1,1,0,0|2,0,0]=4 1230 B12R1.461 CCCCC(=O)N1CCC1CC e4dad2be972f5b43fc5990bed70296fa [0,0,1,1,0,0|1,0,1]=4 1231 B12R1.463 C/C=C/CC(=O)NCC1CCC1 7fd57b75aa039a4e77e831a0bc87b532 [0,0,1,1,0,0|1,0,1]=4 1232 B12R1.463 C=CCCC(=O)NCC1CCC1 0376e12114a0481df299de078acb8581 [0,0,1,1,0,0|1,0,1]=4 1233 B12R1.463 CCCCC(=O)NCC1CCC1 837d5edf6ff5895d223cac23d3f6a0b1 [0,0,1,1,0,0|1,0,1]=4 1234 B12R1.463 CN(CCC=O)CCC1CCC1 ad516ffa6e4c589343bb92ae9a985239 [0,0,1,1,0,0|1,0,1]=4 1235 B12R1.463 COCCC(=O)NCC1CCC1 54fb2b1c86c709984bec93f34e879a5e [0,0,1,1,0,0|2,0,0]=4 1236 B12R1.463 CSCCC(=O)NCC1CCC1 12ad1374010d1b24123ca9bb84411188 [0,0,1,1,0,0|2,0,0]=4 1237 B12R1.463 O=CCCC(=O)NCC1CCC1 42b3ac5dc6b30091ce630677afc7182b [0,0,1,1,0,0|2,0,0]=4 1238 B12R1.464 C/C=C/CC(=O)NCCC1CC1 2f27924e4753526a444b178b64d6cb1d [0,0,1,1,0,0|1,0,1]=4 1239 B12R1.464 C=CCCC(=O)NCCC1CC1 cd7975ee013236d483af014dc7037121 [0,0,1,1,0,0|1,0,1]=4 1240 B12R1.464 CCCCC(=O)NCCC1CC1 ad968fdec4d052e5613d4ba300f20332 [0,0,1,1,0,0|1,0,1]=4 1241 B12R1.464 COCCC(=O)NCCC1CC1 fb75db8a03d609761ea122e54b27e9f7 [0,0,1,1,0,0|2,0,0]=4 1242 B12R1.464 CSCCC(=O)NCCC1CC1 8f8e6b6de542e277e39c335c256cd0ce [0,0,1,1,0,0|2,0,0]=4 1243 B12R1.464 O=CCCC(=O)NCCC1CC1 7f5b5986be8d21bd6418827542b6cdf7 [0,0,1,1,0,0|2,0,0]=4 1244 B12R1.563 CCCCCNC(=O)CC1CC1 f12e9579253eec36c1a8e6a252992cd3 [0,0,1,1,0,0|1,0,1]=4 1245 B12R1.925 C/C=C/CC(=O)N[C@@H]1CC[C@H]1C 2bd6f476abebefaa990dab3bc3f59e2d [0,0,1,1,0,0|1,0,1]=4 1246 B12R1.925 C/C=C/CC(=O)N[C@H]1CC[C@H]1C a6bb43b14f464a8e513750dd1f5917eb [0,0,1,1,0,0|1,0,1]=4 1247 B12R1.925 C=CCCC(=O)N[C@@H]1CC[C@H]1C aa2d6a3df3dcf275c1a5db378a5737db [0,0,1,1,0,0|1,0,1]=4 1248 B12R1.925 C=CCCC(=O)N[C@H]1CC[C@H]1C f8f80524fd8edb1a723cfa4d84c7e34a [0,0,1,1,0,0|1,0,1]=4 1249 B12R1.925 CCCCC(=O)N[C@@H]1CC[C@H]1C 9265218896b27d4a1d2eb6a938d8aef1 [0,0,1,1,0,0|1,0,1]=4 1250 B12R1.925 CCCCC(=O)N[C@H]1CC[C@H]1C 02dfba1d0b3b135d627a156f11593eb2 [0,0,1,1,0,0|1,0,1]=4 1251 B12R1.925 COCCC(=O)N[C@@H]1CC[C@H]1C 6342f9e6147fed09ad754c97712f36fd [0,0,1,1,0,0|2,0,0]=4 1252 B12R1.925 COCCC(=O)N[C@H]1CC[C@H]1C 76b951e63e6d687649af3040b7615cb9 [0,0,1,1,0,0|2,0,0]=4 1253 B12R1.925 CSCCC(=O)N[C@@H]1CC[C@H]1C 062d5ae64c3d7fc40fd9fddef805be30 [0,0,1,1,0,0|2,0,0]=4 1254 B12R1.925 CSCCC(=O)N[C@H]1CC[C@H]1C 9059c2608fdf85e24defc70062bdd935 [0,0,1,1,0,0|2,0,0]=4 1255 B12R1.925 C[C@@H]1CC[C@@H]1NC(=O)CCC=O 8faa681f5d0928a65f8d95e7433d45bf [0,0,1,1,0,0|2,0,0]=4 1256 B12R1.925 C[C@@H]1CC[C@H]1NC(=O)CCC=O 026399fbf449a3da3f3376bd536f601c [0,0,1,1,0,0|2,0,0]=4 1257 B12R2.466 O=C1CCC=C1COC2CC2 9dbdb26d3459249bdf94069902d476c4 [1,0,0,1,0,0|1,0,0]=3 1258 B12R2.466 O=C1CCC=C1OCC2CC2 9c6901da0420070173bae8779a1d6df3 [1,0,0,1,0,0|1,0,0]=3 1259 B12R2.2033 CC1=C(C(=O)CC1)OC2CC2 ce60f1d969c7f98abc105bc2bf1c7055 [1,0,0,1,0,0|1,0,0]=3 1260 B12R2.2033 CC1=C(C(=O)CO1)OC2CC2 d24e80ea98804ccabe1241a8c51d7184 [1,0,0,1,0,0|2,0,0]=4 1261 B14R2.1995 CC1=C(C(=O)CC1)OC2CC2C=O 2fc6c78319a7826e3b39d4f98f681260 [0,1,0,1,0,0|1,0,1]=4 1262 B14R2.2267 CCC1CCN1C2C(=O)CCC2=O f26054cd0d3b8d26d8c83aab6fa35630 [0,1,0,1,0,0|1,0,1]=4 1263 B14R2.4517 CC1=C(C(=O)CC1)OCCC2CC2 0d5dc28535da87f58b47547e06c9e5b3 [0,1,0,1,0,0|0,0,0]=2 1264 B14R2.4517 CC1=C(C(=O)CO1)OCCC2CC2 d3f971af4e4479bc8dc45ea04ebe9d52 [0,1,0,1,0,0|1,0,0]=3 1265 B14R2.4517 CC1=C(C(=O)OC1)OCCC2CC2 cd7bda0420c1c7e866adfdd0a31675b1 [0,1,0,1,0,0|1,0,0]=3 1266 B14R2.4517 Cc1[nH][nH]c(=O)c1CCNC2CC2 454fab7627bb8ab9bb350f4cab3f3fe9 [0,1,0,1,0,0|2,0,0]=4 1267 B14R2.4517 Cc1[nH][nH]c(=O)c1CCOC2CC2 7fe140c008b789e6c73af99fe364cf8c [0,1,0,1,0,0|2,0,0]=4 1268 B14R2.4517 O=C1CCC(=O)C1=COCC2CC2 62f7496813bf8c4d25ac3432c43b7461 [0,1,0,1,0,0|1,0,1]=4 1269 B14R2.4517 O=C1CCC(=O)N1CCNC2CC2 b4ed0cd7369371ea02374e71908083c2 [0,1,0,1,0,0|2,0,0]=4 1270 B14R2.4517 O=C1CCC(=O)N1CCOC2CC2 bbab0d36c64587484b9caac3555b2a25 [0,1,0,1,0,0|2,0,0]=4 1271 B14R2.4517 O=C1CCC(=O)N1COCC2CC2 2d3c1c136f9a737056c194563171d448 [0,1,0,1,0,0|2,0,0]=4 1272 B14R2.4568 CC1=C(C(=O)CC1)OCC2CCC2 16d7271f2be85f471259beed8781e0e7 [0,1,0,1,0,0|0,0,0]=2 1273 B14R2.4568 CC1=C(C(=O)CC1)OCC2CCO2 ffad50f705398c46bb8e32cf14a3a6b8 [0,1,0,1,0,0|1,0,0]=3 1274 B14R2.4568 CC1=C(C(=O)CC1)OCC2COC2 040f38a6334bdf9e30fb249ef37393d3 [0,1,0,1,0,0|1,0,0]=3 1275 B14R2.4568 CC1=C(C(=O)CC1)OC[C@@H]2CCO2 0118ac7bcfb627bb20574b194343cdcb [0,1,0,1,0,0|1,0,0]=3 1276 B14R2.4568 CC1=C(C(=O)CC1)OC[C@H]2CCO2 b7119541801b54e7d387b9527c66d17b [0,1,0,1,0,0|1,0,0]=3 1277 B14R2.4568 CC1=C(C(=O)CO1)OCC2CCC2 fa664a47bc329c62074962e3203bbea9 [0,1,0,1,0,0|1,0,0]=3 1278 B14R2.4568 CC1=C(C(=O)CO1)OCC2CCO2 bcd9d25ed7a8c8bfc8d9fc1e50d7de10 [0,1,0,1,0,0|2,0,0]=4 1279 B14R2.4568 CC1=C(C(=O)CO1)OCC2COC2 64264f70012ab20db9e55eda48f3ee9c [0,1,0,1,0,0|2,0,0]=4 1280 B14R2.4568 CC1=C(C(=O)CO1)OC[C@@H]2CCO2 067998040b223dde83c3de39ba0c686d [0,1,0,1,0,0|2,0,0]=4 1281 B14R2.4568 CC1=C(C(=O)CO1)OC[C@H]2CCO2 ea80c77b35ab2d785729bb90b38c2f4e [0,1,0,1,0,0|2,0,0]=4 1282 B14R2.4568 CC1=C(C(=O)OC1)OCC2CCC2 7e0a09c6fa46816e8f361c74a6a16527 [0,1,0,1,0,0|1,0,0]=3 1283 B14R2.4568 CC1=C(C(=O)OC1)OCC2CCO2 0e64b00a1674f6c50d811bc59b5a9a77 [0,1,0,1,0,0|2,0,0]=4 1284 B14R2.4568 CC1=C(C(=O)OC1)OCC2COC2 046c9291b536cd00a3c3628b03d21c44 [0,1,0,1,0,0|2,0,0]=4 1285 B14R2.4568 CC1=C(C(=O)OC1)OC[C@@H]2CCO2 1b9f953b001cbf7b3c3c0aebfd1fe58e [0,1,0,1,0,0|2,0,0]=4 1286 B14R2.4568 CC1=C(C(=O)OC1)OC[C@H]2CCO2 420393686c16ae53f67671a37fb47c84 [0,1,0,1,0,0|2,0,0]=4 1287 B14R2.4568 O=C1CCC(=O)C1=COC2CCC2 9be3a9b8713a4800c67075e7ea1926b0 [0,1,0,1,0,0|1,0,1]=4 1288 B14R2.4568 O=C1CCC(=O)N1CCN2CCC2 f17ae46551b98ca889e0372a81e136cd [0,1,0,1,0,0|2,0,0]=4 1289 B14R2.4568 O=C1CCC(=O)N1COC2CCC2 39baea457fc265fe8fd652953b692ef9 [0,1,0,1,0,0|2,0,0]=4 1290 B14R2.4572 CC1=C(C(=O)CC1)OC2CCCC2 33b7c933cae21add479c7de56131ddd7 [0,1,0,1,0,0|0,0,0]=2 1291 B14R2.4572 CC1=C(C(=O)CC1)OC2CCOC2 90e8dfa46088cf9ecf31bf4ec30f1f01 [0,1,0,1,0,0|1,0,0]=3 1292 B14R2.4572 CC1=C(C(=O)CC1)O[C@@H]2CCOC2 32e359eb5c7c1e9388b0a3c6afcd0e6c [0,1,0,1,0,0|1,0,0]=3 1293 B14R2.4572 CC1=C(C(=O)CC1)O[C@H]2CCOC2 3a432eab88858c8ce002103d4c5868e3 [0,1,0,1,0,0|1,0,0]=3 1294 B14R2.4572 CC1=C(C(=O)CO1)OC2CCCC2 86ad862e9390b3fc0e80f1cac8dea27b [0,1,0,1,0,0|1,0,0]=3 1295 B14R2.4572 O=C1CCC(=O)C1OC2CCCC2 d9457df8e29f56449a5c22a08039dfc1 [0,1,0,1,0,0|1,0,1]=4 1296 B14R2.6412 CCCN1CCN2C(=O)CCC2C1 e97d7910e6ed62767689c110efdba3ab [0,1,0,1,0,0|1,0,1]=4 1297 B14R2.6412 CCCN1CCN2C(=O)CC[C@@H]2C1 e7b053c68ef74601b062ee2fa3eb5a3f [0,1,0,1,0,0|1,0,1]=4 1298 B14R2.6412 CCCN1CCN2C(=O)CC[C@H]2C1 4a972936b36b767b4ef7536f7f41aae7 [0,1,0,1,0,0|1,0,1]=4 1299 B14R2.6412 CCCN1CCc2c(o[nH]c2=O)C1 0e666e988b1f759b280bd7092340e786 [0,1,0,1,0,0|2,0,0]=4 1300 B14R2.6412 CCNC1CCN2C(=O)CCC2C1 a65b674192478b50cf411306374cf1cd [0,1,0,1,0,0|1,0,1]=4 1301 B14R2.6434 CCCN1CCN2C1(CCC2=O)C 9244886fb16b89b438f4c14bd7a092ea [0,1,0,1,0,0|1,0,1]=4 1302 B14R2.8135 CC1=C(C(=O)CC1)OC2CCC2=O 2c41e8d2193ab20712c1da63764b3bce [0,1,0,1,0,0|1,0,1]=4 1303 B14R2.8135 C[C@@H]1CC[C@@H]1NC2C(=O)CCC2=O b5d7c8db8176cecfb31438ff1dfbffce [0,1,0,1,0,0|1,0,1]=4 1304 B14R2.8135 C[C@@H]1CC[C@H]1NC2C(=O)CCC2=O 2f0953b3e0baa6bee54b4bdf45516140 [0,1,0,1,0,0|1,0,1]=4 1305 B14R2.21329 CC1CC1COC2C(=O)CCC2=O a57f21287d75b48484786fa25c7ae321 [0,1,0,1,0,0|1,0,1]=4 1306 B14R2.21329 C[C@@H]1C[C@H]1COC2C(=O)CCC2=O 79cdd89e655328b1e1b6527f9ac13e40 [0,1,0,1,0,0|1,0,1]=4 1307 B14R2.21329 C[C@H]1C[C@@H]1COC2C(=O)CCC2=O 04b57f9906da8eb6bf133e13ae31a8d9 [0,1,0,1,0,0|1,0,1]=4 1308 B14R2.21329 C[C@H]1C[C@H]1COC2C(=O)CCC2=O d3d3e13d05a5d4de143041faaf764d60 [0,1,0,1,0,0|1,0,1]=4 1309 B14R2.21342 CC1=C(C(=O)CC1)OCC2(CC2)C 40781af84e298db85f9a90bdc8bf2c56 [0,1,0,1,0,0|1,0,0]=3 1310 B14R2.21342 CC1=C(C(=O)CC1)OCC2(CC2)F d526edfc54c62f91840c9fa168e83d44 [0,1,0,1,0,0|1,0,0]=3 1311 B14R2.21342 CC1=C(C(=O)CO1)OCC2(CC2)C d81cf697244bee5accf6900f11cd2453 [0,1,0,1,0,0|2,0,0]=4 1312 B14R2.21342 CC1=C(C(=O)CO1)OCC2(CC2)F 589fcf0fabd63afd2a841673f37a3c71 [0,1,0,1,0,0|2,0,0]=4 1313 B14R2.21342 CC1=C(C(=O)OC1)OCC2(CC2)C 55dc528bce6c8ba2bfd6bb45568f4138 [0,1,0,1,0,0|2,0,0]=4 1314 B14R2.21342 CC1=C(C(=O)OC1)OCC2(CC2)F 9c2efa9eecd591d7795ee0f1c5d74cff [0,1,0,1,0,0|2,0,0]=4 1315 B14R2.21339 CC1=C(C(=O)CC1)OC2CC(=O)C2 6f4e0dffe9d8ca387827063982de2ba7 [0,1,0,1,0,0|1,0,1]=4 1316 B14R2.53841 CC1=C(C(=O)CC1)OC(C)C2CC2 395c2c01182e3ad64eff0da122de6023 [0,1,0,1,0,0|1,0,0]=3 1317 B14R2.3336 CCC1=C(C(=O)CC1)OC2CCC2 e07b6811d31f29af70ccccc2ff19b52d [0,1,0,1,0,0|1,0,0]=3 1318 B14R2.4321 CCC1=C(C(=O)CC1)OCC2CC2 86cafc0a5259b1986c2156d9db9cbe5a [0,1,0,1,0,0|1,0,0]=3 1319 B14R2.21341 CC1=C(C(=O)CC1)OC2CC2(C)C d8f0929ed639eda1288bdc4b572089c5 [0,1,0,1,0,0|1,0,0]=3 1320 B14R2.21341 CC1=C(C(=O)CC1)OC2CC2(F)F b6ee027e4dbeeb83a4aab99dd044b8f6 [0,1,0,1,0,0|2,0,0]=4 1321 B14R2.21341 CC1=C(C(=O)CO1)OC2CC2(C)C 391f7b1426a776aea400a1d4fb187cb6 [0,1,0,1,0,0|2,0,0]=4 1322 B14R2.21341 CC1=C(C(=O)OC1)OC2CC2(C)C ced6cc25e3834ed79901d37359bc03dd [0,1,0,1,0,0|2,0,0]=4 1323 B14R2.4451 CC1=C(C(=O)C(O1)C)OCC2CC2 6ee9cf6dbb31b508520cdd0e3ac6cda8 [0,1,0,1,0,0|2,0,0]=4 1324 B14R2.4451 CC1=C(C(=O)CC1C)OCC2CC2 9ae0b76c30d2b0884cb38833de88f789 [0,1,0,1,0,0|1,0,0]=3 1325 B14R2.4451 CC1=C(C(=O)OC1C)OCC2CC2 2dcf4ae5e7fd038957ce30d09cad6b70 [0,1,0,1,0,0|2,0,0]=4 1326 B10R1.37 CCCCOC1CCC1=O 54fa09992c0cf82b2f331559841e5a88 [1,0,0,0,1,0|1,0,1]=4 1327 B10R1.37 CCCOCC1CCC1=O 19da4a17dced4d587116c3b122806666 [1,0,0,0,1,0|1,0,1]=4 1328 B10R1.37 CCOCCC1CCC1=O fecdaedd24e92cffd0bcb6852fce52db [1,0,0,0,1,0|1,0,1]=4 1329 B12R1.28 CCCCCN1CCCC(=O)C1 e51b80ae756b9d9a19691a7d6d1a8d18 [1,0,0,0,0,1|1,0,1]=4 1330 B12R1.28 CCCCOC1=CC(=O)CCC1 5d56f0e7fc6d1c862492bdc6eca61010 [1,0,0,0,0,1|1,0,1]=4