0 B10R1.23 CC(C)N(C)C1CCCC1 8ff3d343ab48f8df5793af9c373f8630 [0,0,1,0,0,0|1,0,1]=3 1 B10R1.23 CC(C)N(C)C1CCOC1 938e63ccab2e5a8c47a0bc34245f2665 [0,0,1,0,0,0|2,0,1]=4 2 B10R1.23 CC(C)N(C)[C@@H]1CCOC1 d6bf4d550a5a0c04a4a311639d8b3687 [0,0,1,0,0,0|2,0,1]=4 3 B10R1.23 CC(C)N(C)[C@H]1CCOC1 af0240c8f2c69665a4dea45e03e9164a [0,0,1,0,0,0|2,0,1]=4 4 B10R1.31 C#CC1CCN(C1)C(C)C a32682f9be40b30774cf17c72d148142 [0,0,1,0,0,0|1,0,2]=4 5 B10R1.31 C=CC1CCN(C1)C(=O)C 3f2fb07f0a9989457104dad593a3a974 [0,0,1,0,0,0|2,0,1]=4 6 B10R1.31 C=CC1CCN(C1)C(C)C 5020c352ccb6c8e24c4a72e1784d3d37 [0,0,1,0,0,0|1,0,0]=2 7 B10R1.31 CC(C)N1CCC(C1)C#N 108cb0a2bc558e7c34fdcc1507346b32 [0,0,1,0,0,0|2,0,1]=4 8 B10R1.31 CC(C)N1CCC(C1)CO 6d2bba0c22d50f750b46ee6e7a4aff6a [0,0,1,0,0,0|2,0,1]=4 9 B10R1.31 CC(C)N1CC[C@@H](C1)C#N 38b052b878da4a2ad0be1ecc7378210e [0,0,1,0,0,0|2,0,1]=4 10 B10R1.31 CC(C)N1CC[C@@H](C1)CO d309830b3d54456fa3cdd0de222e4586 [0,0,1,0,0,0|2,0,1]=4 11 B10R1.31 CC(C)N1CC[C@H](C1)C#N 529ef2dbfa30698256b6dd5ef3a29ec7 [0,0,1,0,0,0|2,0,1]=4 12 B10R1.31 CC(C)N1CC[C@H](C1)CO 1b7aaf172546c29be7e76280b26dd3ca [0,0,1,0,0,0|2,0,1]=4 13 B10R1.31 CCC1CCN(C1)C(C)C b5e0c33d3e850f2d8349b6d8797f7452 [0,0,1,0,0,0|1,0,2]=4 14 B10R1.31 CN(C)C1CCN(C1)C=O 5fe81132c239e3b88faf386cf2843947 [0,0,1,0,0,0|3,0,0]=4 15 B10R1.31 CN(C)[C@@H]1CCN(C1)C=O bd4cc03e7fb45b262c8be4ca930a45df [0,0,1,0,0,0|3,0,0]=4 16 B10R1.31 CN(C)[C@H]1CCN(C1)C=O 43edfd4436ced8726546a6e18bc81cd4 [0,0,1,0,0,0|3,0,0]=4 17 B10R1.31 COC1CCN(C1)C(C)C 05c42903611fb84f2c6f1ee1bd88d601 [0,0,1,0,0,0|2,0,1]=4 18 B10R1.31 CO[C@@H]1CCN(C1)C(C)C 83a2b6167fcb32afd2e82abbebb8079e [0,0,1,0,0,0|2,0,1]=4 19 B10R1.31 CO[C@H]1CCN(C1)C(C)C 26e47ec27b274b2c73517f284c9b83f6 [0,0,1,0,0,0|2,0,1]=4 20 B10R1.220 CCN1CCC(C1C)(C)C 36915d752669341be1b04ab4468d7701 [0,0,1,0,0,0|1,0,2]=4 21 B10R1.259 CC1(C(=O)CCN1CF)C 7cd1707f7bcd14398c5d40ba975cdce7 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.259 CC1(C(=O)CCN1CO)C 66f0d5462f989a3bd458c2e62efb10a7 [0,0,1,0,0,0|3,0,0]=4 23 B10R1.259 CCN1CCC(=O)C1(C)C a17e3f4c9f250dcd1321ea334856c1a7 [0,0,1,0,0,0|2,0,0]=3 24 B10R1.259 CCN1CCC(C1(C)C)C 377acb9afbb75a49486b8bbe1e63c8c1 [0,0,1,0,0,0|1,0,2]=4 25 B10R1.259 CCN1CCC(C1(C)C)O f556c24a03c6897eb970a299368f5a12 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.259 CCN1CNC(=O)C1(C)C 3a55c3549bbe1c06cdc8afa8ac6e53c0 [0,0,1,0,0,0|3,0,0]=4 27 B9R1.11 C=CC(C)N1CCSC1 d7161c89a4ffe2970ed1255bd6799f51 [1,0,1,0,0,0|2,0,0]=4 28 B9R1.11 CCN(C)C1CCCC1 c7af1fcad7f3c33137eb82e3462c8cce [1,0,1,0,0,0|1,0,1]=4 29 B9R1.13 CC(C)NC1CCCC1 d4db31014285597932e2ad89590afee6 [1,0,1,0,0,0|1,0,0]=3 30 B9R1.13 CC(C)NC1CCOC1 91640e12897ae33db417f39f17e58f81 [1,0,1,0,0,0|2,0,0]=4 31 B9R1.13 CC(C)NC1CCSC1 3f76cc8aaeed942f4177b526b52af5ab [1,0,1,0,0,0|2,0,0]=4 32 B9R1.13 CC(C)N[C@@H]1CCOC1 7bd4e5e7ce9c8be80f9dff350dee45f5 [1,0,1,0,0,0|2,0,0]=4 33 B9R1.13 CC(C)N[C@H]1CCOC1 9dccbffb0d408bf35301516e2a12e1ff [1,0,1,0,0,0|2,0,0]=4 34 B9R1.13 CC(C)OC1CCCC1 215fe9a68b5f8765bce60b7c8e66fcb4 [1,0,1,0,0,0|1,0,0]=3 35 B9R1.13 CC(C)OC1CCCO1 af2408e49f3115bccbf657c1fe05b160 [1,0,1,0,0,0|2,0,0]=4 36 B9R1.13 CC(C)OC1CCOC1 feefba39d1416c9edec235448819b115 [1,0,1,0,0,0|2,0,0]=4 37 B9R1.13 CC(C)OC1CCSC1 1f2f010f9f2374295df189a9be5fa659 [1,0,1,0,0,0|2,0,0]=4 38 B9R1.13 CC(C)O[C@@H]1CCOC1 2c58116cca654ae2981c065d47ea6a30 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.13 CC(C)O[C@@H]1CCSC1 195fa7f05861cf68754ecd9e3cb16cb3 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.13 CC(C)O[C@H]1CCOC1 14d05283428f544dfbe3bb8eeb5b6a4d [1,0,1,0,0,0|2,0,0]=4 41 B9R1.13 CC(C)O[C@H]1CCSC1 916e317264db675ccef5a40312568be1 [1,0,1,0,0,0|2,0,0]=4 42 B9R1.21 C=CC1CCN(C1)CC 9fddcf238bb967e6e4de7b404f198b49 [1,0,1,0,0,0|1,0,0]=3 43 B9R1.21 C=CC1CCN(C1)CF 148a29ba06e8e8baed1c171ce657ec63 [1,0,1,0,0,0|2,0,0]=4 44 B9R1.21 C=CC1CCN(C1)CO f7a9f45146e12984baba4abfae9d8fb8 [1,0,1,0,0,0|2,0,0]=4 45 B9R1.21 CCC1CCN(C1)C=O 511eb19254d8c6b5ffcb350a73123905 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.35 CC(C)N1CCC(C1)F 6c68b9f8d036dd199f32d65db8457808 [1,0,1,0,0,0|2,0,0]=4 47 B9R1.35 CC(C)N1CCC(C1)O 21f8c031d2f6a927dbb6c9a27ee4e7ab [1,0,1,0,0,0|2,0,0]=4 48 B9R1.35 CC(C)N1CC[C@@H](C1)F eab8ab63b734d2fb61eb3274518f686f [1,0,1,0,0,0|2,0,0]=4 49 B9R1.35 CC(C)N1CC[C@@H](C1)O 531534c6fa2806f931b93c252de986ae [1,0,1,0,0,0|2,0,0]=4 50 B9R1.35 CC(C)N1CC[C@H](C1)F 07062372f5a1608c1d5d4a3461330005 [1,0,1,0,0,0|2,0,0]=4 51 B9R1.35 CC(C)N1CC[C@H](C1)O 2a1cf7d77e1814b9658acde1b597f781 [1,0,1,0,0,0|2,0,0]=4 52 B9R1.35 CC1CCN(C1)C(C)C 2d04fd2bf4e90ea40be8ca6aec36e0f1 [1,0,1,0,0,0|1,0,1]=4 53 B9R1.133 CCN1CCC(C1)(C)C 6e7ef6deabe63ac42a164716a48a3776 [1,0,1,0,0,0|1,0,1]=4 54 B9R1.24 CCN1CCCC1(C)C 4a96c79eec924ede45a2cbe74efec3a1 [1,0,1,0,0,0|1,0,1]=4 55 B9R1.24 CCN1CCOC1(C)C 1d983d19a10838ec18c0279eab124551 [1,0,1,0,0,0|2,0,0]=4 56 B9R1.24 CCN1CCSC1(C)C 87eb461f23fce26b419cdb49e32c4ee0 [1,0,1,0,0,0|2,0,0]=4 57 B11R1.31 CC(CO)N(C)C1CCCC1 19f306b83a501907468221322085fefe [0,1,1,0,0,0|1,0,1]=4 58 B11R1.31 CCC(C)N(C)C1CCCC1 87cc61fceff99e23089eb23e0532402d [0,1,1,0,0,0|1,0,1]=4 59 B11R1.31 C[C@@H](CO)N(C)C1CCCC1 58f4e514201ead2a24bb3a4864b1bb69 [0,1,1,0,0,0|1,0,1]=4 60 B11R1.31 C[C@H](CO)N(C)C1CCCC1 5d36f5cfb47a08f915548b93e930ce1a [0,1,1,0,0,0|1,0,1]=4 61 B11R1.89 CC(C)N(C)C1CCCC1O 32743940ff6deb810a936f7f8ef65206 [0,1,1,0,0,0|1,0,1]=4 62 B11R1.89 CC(C)N(C)[C@@H]1CCC[C@@H]1O d29cab3daa67ffe5e5e1893527895663 [0,1,1,0,0,0|1,0,1]=4 63 B11R1.89 CC(C)N(C)[C@@H]1CCC[C@H]1O 11954fb72d5b879467fc992de05ab84a [0,1,1,0,0,0|1,0,1]=4 64 B11R1.89 CC(C)N(C)[C@H]1CCC[C@@H]1O ecd4819139bf8edd6ffbfbb975f73c14 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.89 CC(C)N(C)[C@H]1CCC[C@H]1O 03fe317548d1692e67eaf3d6cac4ef92 [0,1,1,0,0,0|1,0,1]=4 66 B11R1.298 CCN(C(C)C)C1CCCC1 16500aedaf47d5f643f4c70268374ed8 [0,1,1,0,0,0|1,0,1]=4 67 B11R1.314 CC(C)N(C)C1CCC(C1)O 820984597bdb0fafbdb2afb6d78e080a [0,1,1,0,0,0|1,0,1]=4 68 B11R1.314 CC(C)N(C)[C@@H]1CC[C@@H](C1)O 98bcf3bde32405c82eed70afcc3e358e [0,1,1,0,0,0|1,0,1]=4 69 B11R1.357 CN(C1CCCC1)C(C)(C)C 297ba9ee4bae5f7e53db8d17ce0a41f0 [0,1,1,0,0,0|1,0,1]=4 70 B11R1.44 C#CC(C)N1CCC(C1)C=C ac3d947f5e9caecb1bec74bfb80e50e0 [0,1,1,0,0,0|1,0,1]=4 71 B11R1.44 C=CC1CCN(C1)C(C)C#N 4db40b64988dc1176a9987f87ea8e2f9 [0,1,1,0,0,0|1,0,1]=4 72 B11R1.44 C=CC1CCN(C1)C(C)C=C 5d6f87f2e5a8eda9bccae66e620bb9c2 [0,1,1,0,0,0|1,0,1]=4 73 B11R1.44 C=CC1CCN(C1)C(C)C=O 1b9b78c76a70b47f5ae623b7b2583f2b [0,1,1,0,0,0|1,0,1]=4 74 B11R1.44 C=CC1CCN(C1)C(C)CC 29be45aa5ed237adb8dcdbc213d6e9a3 [0,1,1,0,0,0|1,0,0]=3 75 B11R1.44 C=CC1CCN(C1)C(C)CO e490598fd4354a8a4a2fab9cc616cc1a [0,1,1,0,0,0|1,0,0]=3 76 B11R1.44 C=CC1CCN(C1)[C@@H](C)CO 914d0fa0305afce8b81e4b50636f743b [0,1,1,0,0,0|1,0,0]=3 77 B11R1.44 C=CC1CCN(C1)[C@H](C)C=O 04c79c3e41c7eb8e04b8aaec42008a26 [0,1,1,0,0,0|1,0,1]=4 78 B11R1.44 C=CC1CCN(C1)[C@H](C)CO 660b8ec1e2768af160458aedd9206fef [0,1,1,0,0,0|1,0,0]=3 79 B11R1.44 CCC(C)C1CCN(C1)C=O 77e9704a64ec40207a6452640f1771d2 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.45 CC(C)(O)C1CCN(C1)C=O f386f65e8cc3a47025892586310e07a9 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.45 CC(C)(O)[C@@H]1CCN(C1)C=O 60deab257275f56b6bdb28ee761190f5 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.45 CC(C)(O)[C@H]1CCN(C1)C=O 478db972314ea9ca4051e73232a8bf05 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.124 C=CCN1CCC(C1)N(C)C ff69453f612b9e1786d5fb1f5a422998 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.124 C=CCN1CC[C@@H](C1)N(C)C a9686aba202dba53be52a4c016da6044 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.124 C=CCN1CC[C@H](C1)N(C)C ce93fcddec4a431256dd4041c3da84a9 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.124 CC(C)N1CCC(C1)NC=O 2000599c925f2d1adaf94fc027fa316e [0,1,1,0,0,0|2,0,0]=4 87 B11R1.124 CC(C)N1CC[C@@H](C1)NC=O 15c4ac14dca64c51050d61b103de9539 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.124 CC(C)N1CC[C@H](C1)NC=O 380d5b3ec822781a1e6a78ef623aa21c [0,1,1,0,0,0|2,0,0]=4 89 B11R1.124 CN(C)C1CCC(C1)NC=O a1ff1250ae7cd34e8b6be3af99936791 [0,1,1,0,0,0|2,0,0]=4 90 B11R1.175 CC(=O)C1CCN(C1)C(C)C 40e49aec2c48f9df063a014446a7e178 [0,1,1,0,0,0|1,0,1]=4 91 B11R1.175 CC(C)N1CCC(C1)C(=O)N 11b8eb3e4db6948eead25d27460760a2 [0,1,1,0,0,0|2,0,0]=4 92 B11R1.175 CC(C)N1CCC(C1)C(=O)O 2606995d26bddad3f474e3ea687b1cee [0,1,1,0,0,0|2,0,0]=4 93 B11R1.175 CC(C)N1CCC(C1)C(=S)N f2c119faca8bd314d2dfe955828d115a [0,1,1,0,0,0|2,0,0]=4 94 B11R1.175 CC(C)N1CC[C@@H](C1)C(=O)N eda88a8913c7a013511554340c4cfeb1 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.175 CC(C)N1CC[C@@H](C1)C(=O)O 6f94f9609acbd4b867ddef45adfe46c8 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.175 CC(C)N1CC[C@H](C1)C(=O)N 13ea2edfb2cac1807b562ff0dd0bc067 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.175 CC(C)N1CC[C@H](C1)C(=O)O bee021a9798ac0dda6d628daa608d3c8 [0,1,1,0,0,0|2,0,0]=4 98 B11R1.126 CC1(C(=O)CCC1OCF)C 9e29b17c3558ba86e949b4bd8a903841 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.126 CC1(C(=O)CCN1CCF)C 2b36fbf0ada359bcea6a7510e4d002e6 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.126 CC1(C(=O)CCN1CCO)C cb24b69d60d7f9a7181e937aa38a183d [0,1,1,0,0,0|2,0,0]=4 101 B11R1.126 CC1(C(=O)CCN1CCS)C 7b2a6e002061522fc18031a9866033ab [0,1,1,0,0,0|2,0,0]=4 102 B11R1.126 CCCN1CCC(=O)C1(C)C 0c287448e5c30f72d00642965957b8ad [0,1,1,0,0,0|2,0,0]=4 103 B11R1.126 CCNC1CNC(=O)C1(C)C a5be762c4c9bce77de8389a192b43479 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.126 CCN[C@@H]1CNC(=O)C1(C)C b40236418dc8fa0f87be49c4913a5484 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.126 CCN[C@H]1CNC(=O)C1(C)C 63a202c9a17830887d8de369db391e98 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.126 CCOC1CCC(=O)C1(C)C 6acc6c399f3dc64d972271f4e33ae62d [0,1,1,0,0,0|1,0,0]=3 107 B11R1.126 COCN1CCC(=O)C1(C)C d5124eb23fdfd890bef1e5b52c38c219 [0,1,1,0,0,0|2,0,0]=4 108 B11R1.126 CSCN1CCC(=O)C1(C)C 01504f0bb7af280a8eaff027712e3c0f [0,1,1,0,0,0|2,0,0]=4 109 B11R1.315 CC(C)N1CCC(=O)C1(C)C ef03698587913a0b74c26cd4c3ec948a [0,1,1,0,0,0|2,0,0]=4 110 B9R0.19 CCCN(C)C(C)(C)CC 6b2731fc0e407e2fdd9224c24a882f72 [0,0,2,0,0,0|1,0,1]=4 111 B9R0.20 C=CC(C)(C)COCCC 2f45c6229ebf814a2fddeb8a9b5939eb [0,0,2,0,0,0|1,0,0]=3 112 B9R0.20 C=CC(C)(C)COCCF d810415e9b3d4afc1b6582fbfe15176d [0,0,2,0,0,0|2,0,0]=4 113 B9R0.20 C=CC(C)(C)COCCS de9e6f8c8f932f448d5de18d617a0f5b [0,0,2,0,0,0|2,0,0]=4 114 B9R0.20 C=CC(C)(C)COCOC 77442fef89455e3c31f0d96e494679c3 [0,0,2,0,0,0|2,0,0]=4 115 B9R0.20 C=CC(C)(C)COCSC e6874a06f1df83c94afe99be8559fc96 [0,0,2,0,0,0|2,0,0]=4 116 B9R0.20 CCCOCC(C)(C)C=O 3ce894d9dad9d327c3a53b08ab0b66e9 [0,0,2,0,0,0|2,0,0]=4 117 B9R0.6 CCCC(C)N(C)C(C)C 6427fc9af7b64e90ebdb3069bcc6f0ea [0,0,2,0,0,0|1,0,1]=4 118 B9R0.41 CCC(CC)N(C)C(C)C 05f5a4bd3c0405c3583f4b926655009d [0,0,2,0,0,0|1,0,1]=4 119 B9R0.47 C=CCCCN(C)C(C)C 1e91baee2b6efdc20f6b27aac15e1c0d [0,0,2,0,0,0|1,0,0]=3 120 B9R0.47 C=CCCNC(C)C(C)C 4482061d30dc649af0ecdec4f36d2f05 [0,0,2,0,0,0|1,0,0]=3 121 B9R0.47 C=CCCNC(C)C(C)O 2d673805b2d3f40269605e567195322e [0,0,2,0,0,0|2,0,0]=4 122 B9R0.47 C=CCCN[C@@H](C)C(C)C 86be0231371114689e03e2f7bddf99a5 [0,0,2,0,0,0|1,0,0]=3 123 B9R0.47 C=CCCN[C@H](C)C(C)C 155e1797fa9493470fda7571c06ffead [0,0,2,0,0,0|1,0,0]=3 124 B9R0.47 C=CCCOC(C)C(C)C 426e0e1a6826fc00ca75f9f91f83b0b7 [0,0,2,0,0,0|1,0,0]=3 125 B9R0.47 C=CCCOC(C)C(C)S 6ee9b6837c935e9737dfd2c6a0edc497 [0,0,2,0,0,0|2,0,0]=4 126 B9R0.47 C=CCCO[C@@H](C)C(C)C c40e1d1458f65f831309547cffb325eb [0,0,2,0,0,0|1,0,0]=3 127 B9R0.47 C=CCCO[C@H](C)C(C)C a5d4d7af3fdecd6ceabc4083b9395429 [0,0,2,0,0,0|1,0,0]=3 128 B9R0.47 C=CCNCC(C)N(C)C 94a3a509a9b3acc5deed0dbf34feb945 [0,0,2,0,0,0|2,0,0]=4 129 B9R0.47 C=CCNCC(O)C(C)C 917f9b5fcae3a52465066cfd51edfd73 [0,0,2,0,0,0|2,0,0]=4 130 B9R0.47 C=CCOCC(C)C(C)C f4d22548036e3b6d61a129c9e001dfda [0,0,2,0,0,0|1,0,0]=3 131 B9R0.47 C=CCOCC(C)N(C)C 7cc0b6f44f19975a75a3b4e7d1e8371e [0,0,2,0,0,0|2,0,0]=4 132 B9R0.47 C=CCOC[C@@H](C)N(C)C 3ce712e837a0374dbf45acf7ea15a592 [0,0,2,0,0,0|2,0,0]=4 133 B9R0.47 C=CCOC[C@H](C)N(C)C ce800eb0ee395ad9f37a36bb022d7941 [0,0,2,0,0,0|2,0,0]=4 134 B9R0.47 CC(C)C(C)COCC=O e07e530f2feef9c6c8b549789bb7f200 [0,0,2,0,0,0|2,0,0]=4 135 B9R0.47 CC(C)C(C)NCCC=O bd21fa3de97652baed327e06ae6e7cec [0,0,2,0,0,0|2,0,0]=4 136 B9R0.47 CC(C)C(C)OCCC=O 856c90f5a4bd449bf699f754866c5fd2 [0,0,2,0,0,0|2,0,0]=4 137 B9R0.47 CC(C)N(C)CCCC=O 6411d8aa4164bc8ea985791a0b547dce [0,0,2,0,0,0|2,0,0]=4 138 B9R0.47 CC(C)[C@@H](C)NCCC=O 22cede0746781cf7ef6c87bff4654631 [0,0,2,0,0,0|2,0,0]=4 139 B9R0.47 CC(C)[C@@H](C)OCCC=O 3a22511625e066503d1296c1c48da384 [0,0,2,0,0,0|2,0,0]=4 140 B9R0.47 CC(C)[C@H](C)NCCC=O ec1329221884dd042ab321e18a20baf5 [0,0,2,0,0,0|2,0,0]=4 141 B9R0.47 CC(C)[C@H](C)OCCC=O e3c821445ac9d3f33c05b8db808d068b [0,0,2,0,0,0|2,0,0]=4 142 B9R0.47 CCCCCN(C)C(C)C 256b5f325e474d3c10d1687050a81640 [0,0,2,0,0,0|1,0,1]=4 143 B9R0.47 CCCNCC(=O)C(C)C ab221357b3690899244bb21efed4f4b7 [0,0,2,0,0,0|2,0,0]=4 144 B9R0.47 CCCOCC(=O)C(C)C 507657e3c567336d1a3cd45ed59e26ae [0,0,2,0,0,0|2,0,0]=4 145 B9R0.1 C=CC(C)COCC(C)C e0135e03dc1f6256c2c2c3edfa52760f [0,0,2,0,0,0|1,0,0]=3 146 B9R0.1 C=CC(C)COCN(C)C add29249db67651c5d1e43915152de89 [0,0,2,0,0,0|2,0,0]=4 147 B9R0.1 C=CC(C)NCCC(C)C 20ba7a01acd10720940a856f95313f84 [0,0,2,0,0,0|1,0,0]=3 148 B9R0.1 C=CC(C)NCCC(C)O d01f29e8014795af299f102771cf2b60 [0,0,2,0,0,0|2,0,0]=4 149 B9R0.1 C=CC(C)NCCN(C)C 70085a3da3bd0ffaad0e9f871770c27b [0,0,2,0,0,0|2,0,0]=4 150 B9R0.1 C=CC(C)NCC[C@@H](C)O 544a1897e226f54a3ec3b9e01803177e [0,0,2,0,0,0|2,0,0]=4 151 B9R0.1 C=CC(C)NCC[C@H](C)O ef01d9050b04a036fcbd14fbcccd41ca [0,0,2,0,0,0|2,0,0]=4 152 B9R0.1 C=CC(C)NCOC(C)C cb1538d503df7d5c972d56234ef9fa39 [0,0,2,0,0,0|2,0,0]=4 153 B9R0.1 C=CC(C)OCCC(C)C e46c6d9ac740df5977e8822742859261 [0,0,2,0,0,0|1,0,0]=3 154 B9R0.1 C=CC(C)OCCN(C)C bd17231a822956415678cb6054377cb4 [0,0,2,0,0,0|2,0,0]=4 155 B9R0.1 C=CC(C)OCOC(C)C 66f157e36ff0d6859d53e49bc302dee2 [0,0,2,0,0,0|2,0,0]=4 156 B9R0.1 C=CC(O)CNCC(C)C 338aa8c924f06c5274d86ba17f3164dd [0,0,2,0,0,0|2,0,0]=4 157 B9R0.1 C=C[C@H](C)OCCC(C)C 1851092b6455955b808276d41966666f [0,0,2,0,0,0|1,0,0]=3 158 B9R0.1 C=C[C@H](C)OCCN(C)C 7eb12cf45617fb6c3cb5f610b443d8b3 [0,0,2,0,0,0|2,0,0]=4 159 B9R0.1 C=C[C@H](C)OCOC(C)C 60c8a34df5d5d883dde9d1ae71f832d2 [0,0,2,0,0,0|2,0,0]=4 160 B9R0.1 CC(C)CCNC(C)C=O 3221f606f7956b43deb70e498d061682 [0,0,2,0,0,0|2,0,0]=4 161 B9R0.1 CC(C)CCN[C@H](C)C=O 2c72716bb9100d915860d6fe0bb8b954 [0,0,2,0,0,0|2,0,0]=4 162 B9R0.1 CC(C)CCOC(C)C=O a17976d3f6b33051782311e304dbeca6 [0,0,2,0,0,0|2,0,0]=4 163 B9R0.1 CC(C)CCO[C@H](C)C=O dfcd411730780daa50a107e27e8788c3 [0,0,2,0,0,0|2,0,0]=4 164 B9R0.13 C=CCCN(CC)C(C)C 3200921efa7a503d19e801230164f0ec [0,0,2,0,0,0|1,0,0]=3 165 B9R0.13 C=CCCN(CF)C(C)C 7531390a9070256bf0dc9108cefd65b9 [0,0,2,0,0,0|2,0,0]=4 166 B9R0.13 C=CCCN(CO)C(C)C 386ff26bc5fa0c8c2ecfb75d98e1f095 [0,0,2,0,0,0|2,0,0]=4 167 B9R0.13 C=CCNC(CC)C(C)C 9ac0e2264a79f4a9923a9190c6c7e9e4 [0,0,2,0,0,0|1,0,0]=3 168 B9R0.13 C=CCNC(CO)C(C)C fa5e50a8950bdaa4903ce35cc735b8e8 [0,0,2,0,0,0|2,0,0]=4 169 B9R0.13 C=CCN[C@@H](CC)[C@@H](C)O 34cfc527f2d6e64a9cbfc138a67bdb05 [0,0,2,0,0,0|2,0,0]=4 170 B9R0.13 C=CCN[C@@H](CO)C(C)C 9d6ffb6f1b074b4ca74dd04f0ed0df23 [0,0,2,0,0,0|2,0,0]=4 171 B9R0.13 C=CCN[C@H](CC)[C@@H](C)O 1e06df869246a252fb91dc8213f88b90 [0,0,2,0,0,0|2,0,0]=4 172 B9R0.13 C=CCN[C@H](CC)[C@H](C)O 1e3a654f9ad6afcb1d524745a526eb34 [0,0,2,0,0,0|2,0,0]=4 173 B9R0.13 C=CCN[C@H](CO)C(C)C aec1b8b4cbfa5f726ee5c80176865965 [0,0,2,0,0,0|2,0,0]=4 174 B9R0.13 C=CCOC(CC)C(C)C d9a0b466ce920b4e5d58e3e4b0e78152 [0,0,2,0,0,0|1,0,0]=3 175 B9R0.13 CCC(NCC=O)C(C)C e9d76f8aa5b2c77efb35d7dd8fae10a7 [0,0,2,0,0,0|2,0,0]=4 176 B9R0.13 CCC(OCC=O)C(C)C dd872db4620d78fa783537093a55524e [0,0,2,0,0,0|2,0,0]=4 177 B9R0.13 CCN(CCC=O)C(C)C c20346c012cb6e8348461a660f432c1a [0,0,2,0,0,0|2,0,0]=4 178 B9R0.42 C=CC(C)NC(C)C(C)C 174753dfe05b1c7c509f6a4a3a4b888c [0,0,2,0,0,0|1,0,0]=3 179 B9R0.42 C=CC(C)NC(C)C(C)O 01db8b80df3c5e19af91b5eab2279bbb [0,0,2,0,0,0|2,0,0]=4 180 B9R0.42 C=CC(C)N[C@@H](C)C(C)C 7394d8639be69562a035e50df8d34a04 [0,0,2,0,0,0|1,0,0]=3 181 B9R0.42 C=CC(C)N[C@H](C)C(C)C 63f5164bfcab7081d5a9547fee4daa80 [0,0,2,0,0,0|1,0,0]=3 182 B9R0.42 C=CC(C)OC(C)C(C)C 8c6708472e813fed924b392e8a5927b5 [0,0,2,0,0,0|1,0,0]=3 183 B9R0.42 C=CC(C)OC(C)C(C)S 0f7323a82a5639a517fda8af012e07b0 [0,0,2,0,0,0|2,0,0]=4 184 B9R0.42 C=CC(C)O[C@@H](C)C(C)C d14919d262416f810889f1d4665297c6 [0,0,2,0,0,0|1,0,0]=3 185 B9R0.42 C=CC(C)O[C@H](C)C(C)C 6c2ca41cec99c860fc134b7a12b6e331 [0,0,2,0,0,0|1,0,0]=3 186 B9R0.42 C=C[C@H](C)OC(C)C(C)C 59e5267407ac7556f6a2f90032ed0e2f [0,0,2,0,0,0|1,0,0]=3 187 B9R0.42 CC(C)C(C)N[C@H](C)C=O 7cdb14bb2d685644b1bb2d6ddb74e748 [0,0,2,0,0,0|2,0,0]=4 188 B9R0.42 CC(C)C(C)O[C@H](C)C=O 5fbe03138e1f91636d3f6f154edf2ee1 [0,0,2,0,0,0|2,0,0]=4 189 B9R0.42 CC(C)[C@@H](C)N[C@H](C)C=O 657e47b8b32162e5a62830191b1697f7 [0,0,2,0,0,0|2,0,0]=4 190 B9R0.42 CC(C)[C@@H](C)O[C@H](C)C=O 30349c2feb2934c9123dd396d936532a [0,0,2,0,0,0|2,0,0]=4 191 B9R0.42 CC(C)[C@H](C)N[C@H](C)C=O 2b153fa3c5c389f0c2f1941ec1ea3983 [0,0,2,0,0,0|2,0,0]=4 192 B9R0.42 CC(C)[C@H](C)O[C@H](C)C=O 40232f13b7aa592e5c7f0662c51117c1 [0,0,2,0,0,0|2,0,0]=4 193 B9R0.42 CC(C=O)NC(C)C(C)C e292bcfb56530febd303cf25f3090167 [0,0,2,0,0,0|2,0,0]=4 194 B9R0.42 CC(C=O)N[C@@H](C)C(C)C 78113353f320fa7fe3b95fd50f2d6b89 [0,0,2,0,0,0|2,0,0]=4 195 B9R0.42 CC(C=O)N[C@H](C)C(C)C 0851326210a485731b18d5cbd33426dd [0,0,2,0,0,0|2,0,0]=4 196 B9R0.42 CC(C=O)OC(C)C(C)C 0b47a5c6eeab72b6f977007f87ae9c8e [0,0,2,0,0,0|2,0,0]=4 197 B9R0.42 CC(C=O)O[C@@H](C)C(C)C b533fb854a71a9a3499836ea7cd04b95 [0,0,2,0,0,0|2,0,0]=4 198 B9R0.42 CC(C=O)O[C@H](C)C(C)C 77dd50417f440086bc11aeb7e008788d [0,0,2,0,0,0|2,0,0]=4 199 B9R0.43 C=CC(CC)OCC(C)C 180b8a57279d5ad2988305efde262076 [0,0,2,0,0,0|1,0,0]=3 200 B9R0.43 C=CC(CC)OCN(C)C 8b912164c70c627c82760eef0b7dfca5 [0,0,2,0,0,0|2,0,0]=4 201 B9R0.43 C=C[C@@H](CO)NCC(C)C 05e315d06be127c585ec3a77f1a1354e [0,0,2,0,0,0|2,0,0]=4 202 B9R0.43 CCC(C=O)NCC(C)C d5f37c44afcdf7f2cd65b85b8a5e9839 [0,0,2,0,0,0|2,0,0]=4 203 B9R0.43 CCC(C=O)OCC(C)C 1996280574ecbef191a65f05232405b5 [0,0,2,0,0,0|2,0,0]=4 204 B9R0.25 CCC(C)N(C)C(C)(C)C 31ac5324d15b48abc85e8a5d53f18f01 [0,0,2,0,0,0|1,0,1]=4 205 B9R0.32 CCC(C)(C)N(C)C(C)C e7c554f17b93992f2cb050f2db0af868 [0,0,2,0,0,0|1,0,1]=4 206 B11R2.373 CC1(CN1C2CCCC2)C 03ff9bb01f863276ac4d596cb62d2371 [0,0,1,1,0,0|1,0,1]=4 207 B11R2.814 CC(C)N1CC2C1CCC2 0c467bf1ae39112d02b749ae7760db8a [0,0,1,1,0,0|1,0,1]=4 208 B11R2.814 CC(C)N1C[C@H]2[C@@H]1CCC2 1b7037eb08c9860371bd8030e380a5f0 [0,0,1,1,0,0|1,0,1]=4 209 B11R2.845 CC(C)N1CC2CCC1C2 ce91fee8f7db61880cd94c2cc4b5af06 [0,0,1,1,0,0|1,0,1]=4 210 B11R2.845 CC(C)N1C[C@@H]2CC[C@H]1C2 9192c754f14ce8aef97a4763bedf9b27 [0,0,1,1,0,0|1,0,1]=4 211 B11R2.845 CC(C)N1C[C@H]2CC[C@@H]1C2 c382bcbf31bf6e0e7a8619767102f707 [0,0,1,1,0,0|1,0,1]=4 212 B11R2.1031 CN(C1CCCC1)C2CC2 ed36ebbfb40bbf7b90db8eb02e837090 [0,0,1,1,0,0|1,0,1]=4 213 B11R2.21 C=CC1CCN(C1)C2CC2 6615a1835e4b7f94df8460024d6f38ef [0,0,1,1,0,0|1,0,0]=3 214 B11R2.21 O=CN1CCC(C1)C2CC2 072c91d1c1850b5e72bce8d927481626 [0,0,1,1,0,0|2,0,0]=4 215 B11R2.982 CC1(C2C1CN(C2)C=O)C 7838a271f99c6721fe01bd3cad673c93 [0,0,1,1,0,0|2,0,0]=4 216 B9R1.110 CC(C)N(C)C1CCC1 67a2ceda0242a5e441baeefb9ccd7780 [0,0,1,0,1,0|1,0,1]=4 217 B11R1.136 C#CC(C)(C)NC1CCCC1 1c6bb6fc400f657a79de76ca270265e2 [0,0,1,0,0,1|0,0,2]=4 218 B11R1.136 CC(C)(C#N)NC1CCCC1 8d863d02b646597a5bf725418d81d5cc [0,0,1,0,0,1|1,0,1]=4 219 B11R1.136 CC(C)(CF)NC1CCCC1 10b016d6c5ca9c07c57395f8cf9bec4d [0,0,1,0,0,1|1,0,1]=4 220 B11R1.136 CC(C)(CO)NC1CCCC1 464311a4b485cac9e5468c9ce5eec02a [0,0,1,0,0,1|1,0,1]=4 221 B11R1.136 CCC(C)(C)NC1CCCC1 d2aaee22622fc727e6fe6775f4091cee [0,0,1,0,0,1|0,0,2]=4 222 B11R1.35 CC(C)C(C)NC1CCCC1 e16a511c7cdc3376b0c60c79c3549a8c [0,0,1,0,0,1|0,0,2]=4 223 B11R1.35 CC(C)C(C)OC1CCCC1 0a5f58a09565c51f16263466d52484cf [0,0,1,0,0,1|0,0,2]=4 224 B11R1.35 CC(C)N(C)CC1CCCC1 c1d2b04428c71c6dc64e4b3a3e93e114 [0,0,1,0,0,1|1,0,1]=4 225 B11R1.35 CC(C)[C@@H](C)NC1CCCC1 555793abe091188977e588f62689793c [0,0,1,0,0,1|0,0,2]=4 226 B11R1.35 CC(C)[C@@H](C)OC1CCCC1 9f632875c66ccf38586cc4081d425a40 [0,0,1,0,0,1|0,0,2]=4 227 B11R1.35 CC(C)[C@H](C)NC1CCCC1 5fe59a19b41d666f89ace580790db846 [0,0,1,0,0,1|0,0,2]=4 228 B11R1.35 CC(C)[C@H](C)OC1CCCC1 75cf84ab90c40682a87b36eb4730c550 [0,0,1,0,0,1|0,0,2]=4 229 B11R1.35 CC(O)C(=O)NC1CCCC1 e5f47d8deb811ee686d9a89e85c929be [0,0,1,0,0,1|2,0,0]=4 230 B11R1.35 CC(S)C(=O)NC1CCCC1 a29d6e632cc59a9cbfcc9d9f8e4bce84 [0,0,1,0,0,1|2,0,0]=4 231 B11R1.35 C[C@@H](O)C(=O)NC1CCCC1 89399aa484fdb8212fa7803730627dca [0,0,1,0,0,1|2,0,0]=4 232 B11R1.35 C[C@H](O)C(=O)NC1CCCC1 d5b734c33af5eed594dba212931e2d8d [0,0,1,0,0,1|2,0,0]=4 233 B11R1.36 CC(C)N(C)C1CCCCC1 87566ab3cd5b8be7941454c88640a981 [0,0,1,0,0,1|1,0,1]=4 234 B11R1.36 CC(C)N(C)C1CCCOC1 f8ef90e34abf13f379aee15a15413ea7 [0,0,1,0,0,1|1,0,1]=4 235 B11R1.36 CC(C)N(C)C1CCOCC1 ce2e4cf00c68e0f16ea390854aea85bf [0,0,1,0,0,1|1,0,1]=4 236 B11R1.36 CC(C)N(C)C1CCSCC1 a3a175c7e2aff88aadb4ff7a57351826 [0,0,1,0,0,1|1,0,1]=4 237 B11R1.77 CC(C)CN(C)C1CCCC1 945edae355e71e24e9229a40a62afb7b [0,0,1,0,0,1|1,0,1]=4 238 B11R1.77 CC(C)NC(C)C1CCCC1 c92d92901dcbb0134cdda3e4fdc08937 [0,0,1,0,0,1|0,0,2]=4 239 B11R1.77 CC(C)OC(C)C1CCCC1 2b34c7b1d6dae0a37050699ca7627720 [0,0,1,0,0,1|0,0,2]=4 240 B11R1.3 CC(C)C1CCN(CC1)C=O 3638fa65b5dea91bf7491834e80deb30 [0,0,1,0,0,1|2,0,0]=4 241 B11R1.3 CC(C)N1CCC(CC1)C=O 7decd0ff45d0fd2f28d82ead67d9a9ce [0,0,1,0,0,1|2,0,0]=4 242 B11R1.43 C=CC1CCN(C1)CC(C)C c93d23dce0c1b940c6b2e6cfa6daf326 [0,0,1,0,0,1|1,0,0]=3 243 B11R1.43 C=CC1CCN(C1)CC(C)O 970b303b044f0a9c1fcc6e02988871cd [0,0,1,0,0,1|2,0,0]=4 244 B11R1.43 C=CC1CCN(C1)CN(C)C e7624bb1307bbfe4e435c7fcaabc036c [0,0,1,0,0,1|2,0,0]=4 245 B11R1.43 C=CC1CCN(C1)C[C@@H](C)O b86ecf9b69aaef1f7aebe290da8d173c [0,0,1,0,0,1|2,0,0]=4 246 B11R1.43 C=CC1CCN(C1)C[C@H](C)O 7839dd588179a7616f4f614957b4c567 [0,0,1,0,0,1|2,0,0]=4 247 B11R1.43 CC(C)CC1CCN(C1)C=O ebac15cf0ec73aa4977e98f04d22ef4a [0,0,1,0,0,1|2,0,0]=4 248 B11R1.43 CC(C)NC1CCC(C1)C#N a33487122fc7f3868a16e42d80c0d3d0 [0,0,1,0,0,1|1,0,1]=4 249 B11R1.43 CC(C)NC1CCC(C1)CO adf6af932812a62e77aec04dd98adf9c [0,0,1,0,0,1|1,0,1]=4 250 B11R1.43 CC(C)N[C@@H]1CC[C@@H](C1)CO 2081eb7c82a53b7672e8cc330196ab4a [0,0,1,0,0,1|1,0,1]=4 251 B11R1.43 CC(C)N[C@@H]1CC[C@H](C1)CO 14f544e2d5b3568931ed87f5d3fa0447 [0,0,1,0,0,1|1,0,1]=4 252 B11R1.43 CC(C)N[C@H]1CC[C@@H](C1)CO d33c2c8885d333a65efa838c30144e40 [0,0,1,0,0,1|1,0,1]=4 253 B11R1.43 CC(C)N[C@H]1CC[C@H](C1)CO 1ebd70a1d1795c198bbcc7e68c605a93 [0,0,1,0,0,1|1,0,1]=4 254 B11R1.43 CC(C)OC1CCC(C1)C#N 08512698bc1cb7d58617eeee111c24ed [0,0,1,0,0,1|1,0,1]=4 255 B11R1.43 CC(C)OC1CCN(C1)C=O bfc3c3c943528b2d2c6b42538167b571 [0,0,1,0,0,1|2,0,0]=4 256 B11R1.43 CC(C)O[C@@H]1CCN(C1)C=O 5622e55b8ba90a3377733786b76a43b0 [0,0,1,0,0,1|2,0,0]=4 257 B11R1.43 CC(C)O[C@@H]1CC[C@H](C1)C#N ffd455bc6d3b636229716a09ff41073b [0,0,1,0,0,1|1,0,1]=4 258 B11R1.43 CC(C)O[C@H]1CCN(C1)C=O b9a2002ae8a1d2b242745756dd04231d [0,0,1,0,0,1|2,0,0]=4 259 B11R1.43 COC1CCC(C1)OC(C)C 5df6541b21b750e9c1908e47e471e4ff [0,0,1,0,0,1|1,0,1]=4 260 B11R1.43 CO[C@@H]1CC[C@@H](C1)OC(C)C c715faf039c933407b55b0c02035965e [0,0,1,0,0,1|1,0,1]=4 261 B11R1.43 CO[C@@H]1CC[C@H](C1)OC(C)C a5df94cdf180b37993c5d70f2bfb8424 [0,0,1,0,0,1|1,0,1]=4 262 B11R1.43 CO[C@H]1CC[C@H](C1)NC(C)C a8b626e4c04a78e6353df56170f345f7 [0,0,1,0,0,1|1,0,1]=4 263 B11R1.266 CC(C)C1CCCN(C1)C=O 3716c20f9f6c8bb5593ac2ef9fab3b04 [0,0,1,0,0,1|2,0,0]=4 264 B11R1.266 CC(C)C1CN(CCO1)C=O 51401ba21cf4951e77d35f199c658928 [0,0,1,0,0,1|2,0,0]=4 265 B11R1.266 CC(C)[C@@H]1CN(CCO1)C=O 9bad530fccd5d390e97fae2c6ec5599d [0,0,1,0,0,1|2,0,0]=4 266 B11R1.266 CC(C)[C@H]1CN(CCO1)C=O 17d6ec6386481abef753615144314e7c [0,0,1,0,0,1|2,0,0]=4 267 B11R1.281 CCN1CCC(=O)C(C1)(C)C bf9259fe072b3027778d68319da4b30d [0,0,1,0,0,1|2,0,0]=4