0 B28R4.40926915 O=C(NCCCC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 c27f01b5b127031cc11185b2896f04c5 [0,0,0,0,0,0|3,0,0]=3 1 B28R4.40926915 O=C(NCCCC1CCOC1)NC2CCCc3c2[nH]c4c3cccc4 0b1275bcda2537b7f3cd75b3b6401d40 [0,0,0,0,0,0|2,1,0]=3 2 B28R4.40926915 O=C(NCCCN1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 99cf867d22c956e7f0279ce7fa4c6b8b [0,0,0,0,0,0|4,0,0]=4 3 B28R4.40926915 O=C(NCCOC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 f5e97f460fbc41fab4258ffd634aeeab [0,0,0,0,0,0|4,0,0]=4 4 B28R4.40926915 O=C(NCCSC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 0cf4af236cff75c021a43836dc43a27f [0,0,0,0,0,0|4,0,0]=4 5 B28R4.40926915 S=C(NCCCC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 d17c13fc0fc264f9aadbe50133156d81 [0,0,0,0,0,0|3,1,0]=4 6 B28R4.40926915 S=C(NCCCC1CCOC1)NC2CCCc3c2[nH]c4c3cccc4 beb58e144fc7cdc790794b1bdab5c8ae [0,0,0,0,0,0|2,2,0]=4 7 B29R4.51901263 O=C(NCCCC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4Cl 3ef0458c59053f74d43cad28e4d94bb0 [0,1,0,0,0,0|3,0,0]=4 8 B29R4.51901263 O=C(NCCCC1CCOC1)NC2CCCc3c2[nH]c4c3cccc4Cl bd3b89d6bc2e6847220653e504502841 [0,1,0,0,0,0|2,1,0]=4 9 B29R4.62265769 CN(CCCC1CCCO1)C(=O)NC2CCCc3c2[nH]c4c3cccc4 f0361fa250582f5f48952d3b6c5c5e0b [0,1,0,0,0,0|2,1,0]=4 10 B29R4.1704894908 O=C(NCCCC1CCCC1)NC2CCCc3c2[nH]c4c3cc(cc4)F 8d6ca33f724e46ac6da96c1d085c84d9 [0,1,0,0,0,0|3,0,0]=4 11 B29R4.1704894908 O=C(NCCCC1CCOC1)NC2CCCc3c2[nH]c4c3cc(cc4)F f95340eb7efa741c5778788e9d2141c8 [0,1,0,0,0,0|2,1,0]=4 12 B27R3.48270016 C#CCCCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 d6bb6c88d84e8daa76a0b1ab12b78de9 [0,0,1,0,0,0|3,0,0]=4 13 B27R3.48270016 CCCCCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 0751260682762867f6bda7cbab0558bb [0,0,1,0,0,0|3,0,0]=4 14 B27R3.48270016 CCCSCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 dccde0b239f9abe11f202029f5673c47 [0,0,1,0,0,0|2,0,0]=3 15 B27R3.48270016 CCCSCCCCNC(=S)NC1CCCc2c1[nH]c3c2cccc3 726e5e8ae1755bbf56fb0f9db54dc744 [0,0,1,0,0,0|2,1,0]=4 16 B27R3.48270016 CSCCOCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 cb1f85844072e4f68c0c91bd6cc1976c [0,0,1,0,0,0|3,0,0]=4 17 B27R3.48270016 NCCCCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 ffa9419117f733cdc310fa9a0cfab712 [0,0,1,0,0,0|3,0,0]=4 18 B27R3.48270016 O=C(NCCCCCCCO)NC1CCCc2c1[nH]c3c2cccc3 4e66aaf2bbcafe8781cce18729fdc7c7 [0,0,1,0,0,0|2,1,0]=4 19 B27R3.48270016 O=C(NCCCCSCCO)NC1CCCc2c1[nH]c3c2cccc3 d660e2a2a1cd8360622d934895fdefa4 [0,0,1,0,0,0|3,0,0]=4 20 B29R5.138713485 O=C(NC1CCCc2c1[nH]c3c2cccc3)N4CCCC45CCCC5 4ca60737b1f2fe9499f61b1d90351df6 [0,0,0,1,0,0|3,0,0]=4 21 B29R5.335735673 O=C(NC1CCCc2c1[nH]c3c2cccc3)N4CCCC5C4CCC5 33343b45b731181a7e45625158fd617b [0,0,0,1,0,0|3,0,0]=4 22 B29R5.335758359 O=C(NC1CCCc2c1[nH]c3c2cccc3)NC4CCC5C4COC5 0280a56caaf76d1534d05345b985ef1b [0,0,0,1,0,0|2,1,0]=4 23 B29R5.335758359 O=C(NC1CCCc2c1[nH]c3c2cccc3)N[C@@H]4CC[C@@H]5[C@H]4CCC5 8c793a40988e8588e8f571d6dd977463 [0,0,0,1,0,0|3,0,0]=4 24 B29R5.335758359 O=C(NC1CCCc2c1[nH]c3c2cccc3)N[C@H]4CC[C@H]5[C@@H]4CCC5 b780162e2fdefdc8f54e7fa7bb6cc606 [0,0,0,1,0,0|3,0,0]=4 25 B29R5.335758364 O=C(NC1CCCc2c1[nH]c3c2cccc3)NC4CCC45CCCC5 23bbeb8ed55bce9a0a2d8e21bb497845 [0,0,0,1,0,0|3,0,0]=4 26 B29R5.336645405 O=C(NCC1CC2C=CC1C2)NC3CCCc4c3[nH]c5c4cccc5 64454396edf7d01ea42eb58094879ba0 [0,0,0,1,0,0|3,0,0]=4 27 B29R5.336645405 O=C(NCC1C[C@@H]2C=C[C@H]1C2)NC3CCCc4c3[nH]c5c4cccc5 5e610740812f114ba3f7676f245f9c61 [0,0,0,1,0,0|3,0,0]=4 28 B29R5.336645405 O=C(NC[C@@H]1C[C@@H]2CC[C@H]1O2)NC3CCCc4c3[nH]c5c4cccc5 231d6a985868d15befa68e41de84ed69 [0,0,0,1,0,0|2,1,0]=4 29 B29R5.336645405 O=C(NC[C@H]1C[C@@H]2CC[C@H]1O2)NC3CCCc4c3[nH]c5c4cccc5 58bf848e76255a0819a513cf0670cc61 [0,0,0,1,0,0|2,1,0]=4 30 B27R4.4350210 O=C(NCCCN1CCC1)NC2CCCc3c2[nH]c4c3cccc4 334d1cee2d80ba7c4dc8f6b23b0d3417 [0,0,0,0,1,0|3,0,0]=4 31 B27R4.30226371 O=C(NCCC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 a27dc4637842b741fb8829f75427f838 [0,0,0,0,1,0|3,0,0]=4 32 B27R4.30226371 O=C(NCCC1CCCO1)NC2CCCc3c2[nH]c4c3cccc4 f069a107f8f88ff0f4ff4deb263eccb5 [0,0,0,0,1,0|2,1,0]=4 33 B27R4.30226371 O=C(NCCC1CCOC1)NC2CCCc3c2[nH]c4c3cccc4 731c28030ddc1e86e214eca87b36ad89 [0,0,0,0,1,0|2,1,0]=4 34 B29R4.6502642 O=C(NCCCC1CCCCC1)NC2CCCc3c2[nH]c4c3cccc4 d874dc134229ecad85c544d07e1aa918 [0,0,0,0,0,1|3,0,0]=4 35 B29R4.6502642 O=C(NCCCC1CCOCC1)NC2CCCc3c2[nH]c4c3cccc4 1db85d391c137a608c9f5605ba275779 [0,0,0,0,0,1|2,1,0]=4 36 B29R4.62442246 O=C(NCCCCC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 e2258f25dd01df9d4a9faa00a2394ab8 [0,0,0,0,0,1|2,0,0]=3 37 B29R4.62442246 O=C(NCCCCN1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 f6afc3fb29efb557c5160baba615166a [0,0,0,0,0,1|3,0,0]=4 38 B29R4.62442246 O=C(NCCCOC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 4e3ad33d8e0ea39350d91937c254a1c9 [0,0,0,0,0,1|3,0,0]=4 39 B29R4.62442246 O=C(NCCOCC1CCCO1)NC2CCCc3c2[nH]c4c3cccc4 e682a6629ba41de7d9576023545edcb8 [0,0,0,0,0,1|2,1,0]=4 40 B29R4.62442246 S=C(NCCCCC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4 20181fcbb19d9d6434d103c11327bf50 [0,0,0,0,0,1|2,1,0]=4 41 B26R3.7279088 CCn1c(nc2c1cccc2)CNC(=O)CCCCC3CCSS3 c692ea5b027ae9ec4516021cc0ed3305 [1,0,1,0,0,0|1,0,1]=4 42 B26R3.7279088 CCn1c(nc2c1cccc2)CNC(=O)CCCC[C@@H]3CCSS3 02c2b42ca27e37acf313f5fea8c86022 [1,0,1,0,0,0|1,0,1]=4 43 B26R3.7279088 CCn1c(nc2c1cccc2)CNC(=O)CCCC[C@H]3CCSS3 9aebdc849b7239468817196437fed9f2 [1,0,1,0,0,0|1,0,1]=4 44 B26R3.275787205 O=C(CCCCC1CCSS1)N[C@@H](CO)c2cc3ccccc3o2 f702e12436677cd21169918c81fa56f1 [1,0,1,0,0,0|2,0,0]=4 45 B26R3.275787205 O=C(CCCC[C@@H]1CCSS1)N[C@@H](CO)c2cc3ccccc3o2 ddc22bcf62c856b958f6a0c0e710dd9c [1,0,1,0,0,0|2,0,0]=4 46 B26R3.275787205 O=C(CCCC[C@H]1CCSS1)N[C@@H](CO)c2cc3ccccc3o2 3ba49577b631484349013e065c2094fc [1,0,1,0,0,0|2,0,0]=4 47 B26R3.12351932 CCCCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 9a80813fbe167395ef8b462afd499e5f [1,0,1,0,0,0|2,0,0]=4 48 B26R3.12351932 CCSCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 1133a090b80acfbf2ce364a696942a84 [1,0,1,0,0,0|1,0,0]=3 49 B26R3.12351932 CCSCCCCNC(=S)NC1CCCc2c1[nH]c3c2cccc3 d5cbfbe357bea3fc073b6e9e4d244735 [1,0,1,0,0,0|1,1,0]=4 50 B26R3.12351932 NCCCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 a8ad901ef9f22f3f57c9229b0cf49915 [1,0,1,0,0,0|2,0,0]=4 51 B26R3.12351932 O=C(NCCCCCCO)NC1CCCc2c1[nH]c3c2cccc3 c07974bd9cf33bbe5f7e1f02cf0cb5be [1,0,1,0,0,0|1,1,0]=4 52 B28R3.93590723 CCCCCCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 d2f5027e62c458d2523a987950e13022 [0,1,1,0,0,0|2,0,0]=4 53 B28R3.93590723 NCCCCCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 a03f4c6bc95ff9490c60dee2bb14832b [0,1,1,0,0,0|2,0,0]=4 54 B28R3.93590723 O=C(NCCCCCCCCO)NC1CCCc2c1[nH]c3c2cccc3 06ac2216f6feaac1227ba555fbb7a24e [0,1,1,0,0,0|1,1,0]=4 55 B28R3.94331001 CC(C)CSCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3 7769fa936a618992e95a9cda27086a83 [0,1,1,0,0,0|2,0,0]=4 56 B28R3.466011052 CCCSCCCCNC(=O)NC1CCCc2c1[nH]c3c2cc(cc3)F e488d5a9035b562137af0b168d099939 [0,1,1,0,0,0|2,0,0]=4 57 B28R3.466011053 CCCSCCCCNC(=O)NC1CCCc2c1[nH]c3c2cccc3Cl b1a3aec43ae59ce5f6541b421767e913 [0,1,1,0,0,0|2,0,0]=4 58 B30R4.39805013 O=C(NCCCCC1CCCC1)NC2CCCc3c2[nH]c4c3cccc4Cl 3c9285456e82a1fae46c2b842217f184 [0,1,0,0,0,1|2,0,0]=4 59 B30R4.415783918 O=C(NCCCCC1CCCC1)NC2CCCc3c2[nH]c4c3cc(cc4)F 70510ca184e3fccad9a0205e2b4c1452 [0,1,0,0,0,1|2,0,0]=4 60 B30R4.2230903937 Cc1ccc2c(c1)c3c(n2C)C(CCC3)NC(=O)CCCCC4CCSS4 37fb30324b0da97d2c18c87ecf82291a [0,2,0,0,0,0|0,0,0]=2 61 B30R4.2230903937 Cc1ccc2c(c1)c3c(n2C)C(CCC3)NC(=O)CCCCC4CSSC4 122e323ccb782d06e189c052d28bc3cb [0,2,0,0,0,0|2,0,0]=4 62 B30R4.2230903937 Cc1ccc2c(c1)c3c(n2C)C(CCC3)NC(=O)CCCC[C@@H]4CCSS4 6a6b8e2f289221356d3af9cf8a13329a [0,2,0,0,0,0|0,0,0]=2 63 B30R4.2230903937 Cc1ccc2c(c1)c3c(n2C)C(CCC3)NC(=O)CCCC[C@H]4CCSS4 95b86bfbe5c4b92149468ff895b2e1da [0,2,0,0,0,0|0,0,0]=2 64 B26R2.974074 CCCN(C(=O)CNC(=O)CCCCC1CCSS1)c2ccccc2 d74de947f6517d3354fa6686907dd142 [0,0,2,0,0,0|2,0,0]=4 65 B28R4.5312118 O=C(NCCC1CCSCC1)NC2CCCc3c2[nH]c4c3cccc4 9c9e6cafc028fe1307c5a034d67b65ae [0,0,1,1,0,0|2,0,0]=4 66 B28R4.647757846 O=C(CCCCC1CCSS1)NC(c2cc3ccccc3o2)C4CC4 39e0f0ba166695b6bd1a415d5965dca9 [0,0,1,1,0,0|1,0,0]=3 67 B28R4.647757846 O=C(CCCCC1CCSS1)N[C@@H](c2cc3ccccc3o2)C4CC4 cf462b2a2b3924a246150b575dc987be [0,0,1,1,0,0|1,0,0]=3 68 B28R4.647757846 O=C(CCCCC1CCSS1)N[C@H](c2cc3ccccc3o2)C4CC4 8a4d3a47670649261ae984aaa80475fa [0,0,1,1,0,0|1,0,0]=3 69 B28R4.647757846 O=C(CCCC[C@@H]1CCSS1)NC(c2cc3ccccc3o2)C4CC4 c7f39f0538679780963cf4a0b44fe092 [0,0,1,1,0,0|1,0,0]=3 70 B28R4.647757846 O=C(CCCC[C@@H]1CCSS1)N[C@@H](c2cc3ccccc3o2)C4CC4 90d794a4231196a2b037a74468ce4c1f [0,0,1,1,0,0|1,0,0]=3 71 B28R4.647757846 O=C(CCCC[C@@H]1CCSS1)N[C@H](c2cc3ccccc3o2)C4CC4 029cab5c5d957d6edfbf1aa06289df87 [0,0,1,1,0,0|1,0,0]=3 72 B28R4.647757846 O=C(CCCC[C@H]1CCSS1)NC(c2cc3ccccc3o2)C4CC4 ea862e189ad1f782bf0428156d510351 [0,0,1,1,0,0|1,0,0]=3 73 B28R4.647757846 O=C(CCCC[C@H]1CCSS1)N[C@@H](c2cc3ccccc3o2)C4CC4 4c9bbbbbf7eb53310c905d26d7d9392f [0,0,1,1,0,0|1,0,0]=3 74 B28R4.647757846 O=C(CCCC[C@H]1CCSS1)N[C@H](c2cc3ccccc3o2)C4CC4 03ab11eaee4e0e8b53a96d7448101502 [0,0,1,1,0,0|1,0,0]=3 75 B30R5.87511870 O=C(NC1CCCc2c1[nH]c3c2cccc3)N4CCCCC45CCCC5 765cad8650e216a0f3d6c07eff54a755 [0,0,0,1,0,1|2,0,0]=4 76 B30R5.374176484 O=C(NCCC1CC2CCC1C2)NC3CCCc4c3[nH]c5c4cccc5 3144a2c94c902f5be91b8dc32e235e41 [0,0,0,1,0,1|2,0,0]=4 77 B30R5.374176484 O=C(NCC[C@@H]1C[C@@H]2C=C[C@H]1C2)NC3CCCc4c3[nH]c5c4cccc5 44049b7c8959807fe329ed8fb1686130 [0,0,0,1,0,1|2,0,0]=4 78 B30R5.375701781 O=C(NC1CCCc2c1[nH]c3c2cccc3)N4CCCC4C5CCCC5 71fa0f7892f957c7c14245c3ea18a416 [0,0,0,1,0,1|2,0,0]=4 79 B30R5.375701781 O=C(NC1CCCc2c1[nH]c3c2cccc3)N4CCC[C@@H]4[C@H]5CCCN5 9c71611fc774bd55b381d6c111353cbc [0,0,0,1,0,1|2,0,0]=4 80 B30R5.375701781 O=C(NC1CCCc2c1[nH]c3c2cccc3)N4CCC[C@H]4[C@@H]5CCCN5 0327e450ff6b8467267688cf382d31fe [0,0,0,1,0,1|2,0,0]=4 81 B26R3.3322875 O=C(CCCCC1CCSS1)NC2CCCC2c3ccccc3Cl f407427c2b241dfe3a55ef6645f00fdd [0,0,1,0,1,0|1,0,1]=4 82 B26R3.3322875 O=C(CCCC[C@@H]1CCSS1)NC2CCCC2c3ccccc3Cl dd491a3256ae5db17ab3bfdc0c59ad46 [0,0,1,0,1,0|1,0,1]=4 83 B26R3.3322875 O=C(CCCC[C@H]1CCSS1)NC2CCCC2c3ccccc3Cl 7b50116b428bb8137532bdc430aad1af [0,0,1,0,1,0|1,0,1]=4 84 B26R3.39699089 O=C(CCCCC1CCSS1)NCCCn2cnc3c2cccc3 65562456aefe2242419a3038eb15a32d [0,0,1,0,1,0|1,0,1]=4 85 B26R3.39699089 O=C(CCCC[C@@H]1CCSS1)NCCCn2cnc3c2cccc3 311865ee144b08cc7472e960f81dd05c [0,0,1,0,1,0|1,0,1]=4 86 B26R3.39699089 O=C(CCCC[C@H]1CCSS1)NCCCn2cnc3c2cccc3 2d87eb930ecf43d721c3a63ca1a0e5e6 [0,0,1,0,1,0|1,0,1]=4 87 B26R3.4543302 O=C(CCCCC1CCSS1)N[C@@H]2CCCC[C@H]2c3ccccc3 3550d4369fc40313d83e4b8cb8aba622 [0,0,1,0,1,0|0,0,2]=4 88 B26R3.4543302 O=C(CCCC[C@@H]1CCSS1)N[C@@H]2CCCC[C@H]2c3ccccc3 abac04a39dab8327d1be579ce6c5b9f3 [0,0,1,0,1,0|0,0,2]=4 89 B26R3.4543302 O=C(CCCC[C@H]1CCSS1)N[C@@H]2CCCC[C@H]2c3ccccc3 57f7468d9544944d3149c7d29a321851 [0,0,1,0,1,0|0,0,2]=4 90 B26R4.4060151 O=C(NCCC1CCC1)NC2CCCc3c2[nH]c4c3cccc4 3416568fca231d3018aba0d1b21e2c86 [0,0,0,0,2,0|2,0,0]=4 91 B26R4.4060151 O=C(NCCC1CCO1)NC2CCCc3c2[nH]c4c3cccc4 fa0f9416678c06696a94bcd676074849 [0,0,0,0,2,0|1,1,0]=4 92 B26R4.4060151 O=C(NCC[C@@H]1CCO1)NC2CCCc3c2[nH]c4c3cccc4 cef8eb37e2b763a1d61cd387100ab4b2 [0,0,0,0,2,0|1,1,0]=4 93 B26R4.11100696 O=C(NCCOC1CC1)NC2CCCc3c2[nH]c4c3cccc4 20e60fb49dde12d10b487c88bdb6cd99 [0,0,0,0,2,0|2,0,0]=4 94 B28R3.10139508 O=C(CCCCC1CCSS1)NCCCOc2ccc3ccccc3c2 11875df7b304b5290e3e8bca0a9893f7 [0,0,1,0,0,1|2,0,0]=4 95 B28R3.10139508 O=C(CCCC[C@@H]1CCSS1)NCCCOc2ccc3ccccc3c2 c1cb0e07b3c4084b9346422b723c87dc [0,0,1,0,0,1|2,0,0]=4 96 B28R3.10139508 O=C(CCCC[C@H]1CCSS1)NCCCOc2ccc3ccccc3c2 208568d8f21cf74fc88b5fa2b7d3fa41 [0,0,1,0,0,1|2,0,0]=4 97 B28R3.301614979 O=C(CCCCC1CCSS1)NC2CCCN(C2=O)Cc3ccccc3 f0ecb4d568dee811c1a5b0acd66b91a8 [0,0,1,0,0,1|2,0,0]=4 98 B28R3.301614979 O=C(CCCC[C@@H]1CCSS1)NC2CCCN(C2=O)Cc3ccccc3 668d4c7e5e49e4719cc416c77841e59e [0,0,1,0,0,1|2,0,0]=4 99 B28R3.301614979 O=C(CCCC[C@H]1CCSS1)NC2CCCN(C2=O)Cc3ccccc3 47cfb40b95fda3d61ab16e4e82b3295e [0,0,1,0,0,1|2,0,0]=4 100 B30R4.6011694 O=C(NCCCCC1CCCCC1)NC2CCCc3c2[nH]c4c3cccc4 358a7bc54fa917f67ee644dc0765e96d [0,0,0,0,0,2|2,0,0]=4 101 B30R4.47584121 O=C(NCCCOCC1CCCO1)NC2CCCc3c2[nH]c4c3cccc4 a48fd1cb763bb695e681b9643da455f3 [0,0,0,0,0,2|1,1,0]=4