0 B7R0.9 CC(=O)NC(C)(C)C a1c7999946c2b3954cecc4a7e85b6160 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.9 CC(C)NC(C)(C)C 8a7a846b84a7e272a6ee9556f3179be1 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.5 CC(C)(C)NCF 3cacbed1609b720894d3f72aa5b5474f [1,0,0,0,0,0|3,0,0]=4 4 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [1,0,0,0,0,0|2,0,0]=3 5 B6R0.5 CCNC(C)(C)C 075494290386c2ca265fcbc967febc26 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.24 C#CC(C)NC(C)(C)C e899307bae2db4d3cd1b55824a84cfa8 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.24 C=CC(C)NC(C)(C)C d673f85c9fb9c3ebb977d5b21bfc990e [0,1,0,0,0,0|3,0,0]=4 8 B8R0.24 CC(C#N)NC(C)(C)C c7f1bcbb7138330db3cfd3104c5587f5 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.24 CC(C=O)NC(C)(C)C 4e09e1f1d93cfe6f0eabf26dcf02b275 [0,1,0,0,0,0|2,0,1]=4 10 B8R0.24 CC(CO)NC(C)(C)C 11f9cd87e7e88779d0448afb38346b3b [0,1,0,0,0,0|2,0,0]=3 11 B8R0.24 CCC(C)NC(C)(C)C 9130a28867ae8af859d638502ee1fe58 [0,1,0,0,0,0|3,0,0]=4 12 B8R0.24 CCN(C)CC(C)(C)C ad9a32359488b3a57efd7a0f91b8539b [0,1,0,0,0,0|3,0,0]=4 13 B8R0.24 CCN(C)CC(C)(C)F 7a7eae4f3fa39ffa021a7e60015b3c3a [0,1,0,0,0,0|3,0,0]=4 14 B8R0.24 CCN(C)CC(C)(C)O 3a82767057043d9df3fecda73f227fdf [0,1,0,0,0,0|2,1,0]=4 15 B8R0.24 CN(C=O)CC(C)(C)C b86d4bfdd886ac2d0236a96b2ef1d46b [0,1,0,0,0,0|2,0,1]=4 16 B8R0.24 CN(C=O)CC(C)(C)O 564faf6da158e3f55661a2c9927b3e1c [0,1,0,0,0,0|1,1,1]=4 17 B8R0.24 CN(CF)CC(C)(C)C 9e23ef78f39b14552a6f9d73e7c66cf3 [0,1,0,0,0,0|3,0,0]=4 18 B8R0.24 CN(CF)CC(C)(C)O aa5bd0190de00a62405f7f025e7371f8 [0,1,0,0,0,0|2,1,0]=4 19 B8R0.24 CN(CO)CC(C)(C)C 020da0d415bacf8f04d9191e1f548d64 [0,1,0,0,0,0|2,0,0]=3 20 B8R0.24 CN(CO)CC(C)(C)O 4ec4b35ea89b8c212dd6b9dcb2ce0dcc [0,1,0,0,0,0|1,1,0]=3 21 B8R0.24 C[C@@H](CO)NC(C)(C)C d141aaf7a6b2a27fe74c0077e47372d6 [0,1,0,0,0,0|2,0,0]=3 22 B8R0.24 C[C@H](C=O)NC(C)(C)C 55c1b8c6e4d8073c965c1049433a4c0d [0,1,0,0,0,0|2,0,1]=4 23 B8R0.24 C[C@H](CO)NC(C)(C)C 3d362a32d372c4ca0a319e4e204feae6 [0,1,0,0,0,0|2,0,0]=3 24 B8R0.27 CC(C)N(C)C(C)(C)C ff8b6e4b6bdb5a1c5838ae3380f173a6 [0,1,0,0,0,0|3,0,0]=4 25 B8R0.34 C#CC(C)(C)NC(C)C 300d89e052b0b51e738c96dd43118291 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.34 CC(C)NC(C)(C)C#N 9bc7b66bdb27e15c2174fb811948050a [0,1,0,0,0,0|3,0,0]=4 27 B8R0.34 CC(C)NC(C)(C)CF 97ce621ca4ea2c1e508e146ffbb20217 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.34 CC(C)NC(C)(C)CO 2cd04f210ad1294c88e31fc866235976 [0,1,0,0,0,0|2,1,0]=4 29 B8R0.34 CCC(C)(C)NC(C)C bf8717aff18d75f51ab336d0c7ed7326 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.42 CC(C)NC1(CC1)C 7a8a390875d91770b0cf03a65134594a [0,0,0,1,0,0|3,0,0]=4 31 B8R1.56 CC(C)(C)NC1CC1 b527d26fc47d4e5834cdd6d69b451004 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.77 CC(C)N1CC1(C)C 930a2a0ba1aeb612a9aa8c3d48521ef0 [0,0,0,1,0,0|3,0,0]=4 33 B8R0.29 C=C(C)CNC(C)(C)C b99c45fd81c788cbba88aea38bfb17b6 [0,0,0,0,0,1|2,0,1]=4 34 B8R0.29 CC(=O)NCC(C)(C)C 9462e7ac263ac589a01977b5f7e527a7 [0,0,0,0,0,1|1,0,2]=4 35 B8R0.29 CC(=O)NCC(C)(C)O ac59c5875c8df765f15b4c858063fbc9 [0,0,0,0,0,1|0,1,2]=4 36 B8R0.29 CC(C)(C)NCC(=O)O 139b26a0be92451287fa1082e3371d98 [0,0,0,0,0,1|2,0,1]=4 37 B8R0.29 CC(C)(C)NCC(F)F 84b029ea4fe478b55ecaff8696bc5cb9 [0,0,0,0,0,1|3,0,0]=4 38 B8R0.29 CC(C)CNC(C)(C)C d5528187c7cd3d55e1832d273aedfb46 [0,0,0,0,0,1|2,0,0]=3 39 B8R0.29 CC(C)NCC(C)(C)C 5287cb059296718a8765404b704beb03 [0,0,0,0,0,1|2,0,0]=3 40 B8R0.29 CC(C)NCC(C)(C)O 7a7942e84ffbedf19eb1ab4b895c6932 [0,0,0,0,0,1|1,1,0]=3 41 B8R0.29 CC(C)NCC(C)(F)F 0643093d20a8d134aa1b4afd51175d97 [0,0,0,0,0,1|3,0,0]=4 42 B8R0.29 CC(C)OCC(C)(C)Br d853854d496fd8eacf438cf1f5660d45 [0,0,0,0,0,1|2,0,0]=3 43 B8R0.29 CC(C)OCC(C)(C)C 84196a0326636113906144c210f767a6 [0,0,0,0,0,1|2,0,0]=3 44 B8R0.29 CC(C)OCC(C)(C)F 42c775507cda204145c2511030d9299a [0,0,0,0,0,1|2,0,0]=3 45 B8R0.29 CC(C)OCC(C)(C)O 763475607800e74d3dd49839c449f82e [0,0,0,0,0,1|1,1,0]=3 46 B8R0.29 CC(C)OCC(C)(C)S e0d6c628714edbccbe2495d0c004418a [0,0,0,0,0,1|1,0,0]=2 47 B8R0.29 CC(C)OCC(C)(F)F 12543e51f47ac047b6031d46cca2b397 [0,0,0,0,0,1|3,0,0]=4 48 B8R0.29 CC(O)CNC(C)(C)C 7b076be22d95a3dbb6fea7a2a6a579cf [0,0,0,0,0,1|1,0,0]=2 49 B8R0.29 CN(C)CNC(C)(C)C 3fb114a1cfb2557d2301f8bd3245f5f0 [0,0,0,0,0,1|3,0,0]=4 50 B8R0.29 C[C@@H](O)CNC(C)(C)C 3acb7b24b939b8a39fd8f4e2037cb442 [0,0,0,0,0,1|1,0,0]=2 51 B8R0.29 C[C@H](O)CNC(C)(C)C 21c328d304469a321a804a1dc49edcf2 [0,0,0,0,0,1|1,0,0]=2 52 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [2,0,0,0,0,0|1,0,0]=3 54 B7R0.2 C#CC(C)NC(C)C 1adfd08d21a60fe3922bad2a8cac6fc5 [1,1,0,0,0,0|2,0,0]=4 55 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [1,1,0,0,0,0|2,0,0]=4 56 B7R0.2 C#C[C@@H](C)NC(C)C 4fb0ba4a4d14b34bf0f7402f8af0e7a0 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [1,1,0,0,0,0|2,0,0]=4 58 B7R0.2 C#C[C@H](C)NC(C)C 9a0729fd31b9e7a065041f3f67ecd743 [1,1,0,0,0,0|2,0,0]=4 59 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [1,1,0,0,0,0|2,0,0]=4 60 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [1,1,0,0,0,0|2,0,0]=4 61 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [1,1,0,0,0,0|2,0,0]=4 62 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [1,1,0,0,0,0|2,0,0]=4 63 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.2 CC(C)CN(C)CF f2a6b79f5877628929a1b31fd183a5d0 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [1,1,0,0,0,0|1,0,0]=3 66 B7R0.2 CC(C)NC(C)C#N 67530a843e87041c95d3c81be4de1aa8 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [1,1,0,0,0,0|1,0,0]=3 68 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [1,1,0,0,0,0|1,0,0]=3 69 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [1,1,0,0,0,0|1,0,0]=3 70 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [1,1,0,0,0,0|1,0,1]=4 72 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [1,1,0,0,0,0|2,0,0]=4 73 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [1,1,0,0,0,0|1,1,0]=4 74 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [1,1,0,0,0,0|1,1,0]=4 76 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [1,1,0,0,0,0|1,0,1]=4 77 B7R0.2 CC(O)CN(C)CF c09526189cafd23891f682c66649d125 [1,1,0,0,0,0|1,0,0]=3 78 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [1,1,0,0,0,0|1,0,0]=3 79 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [1,1,0,0,0,0|2,0,0]=4 82 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [1,1,0,0,0,0|1,0,0]=3 84 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [1,1,0,0,0,0|1,0,0]=3 85 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [1,1,0,0,0,0|2,0,0]=4 86 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [1,1,0,0,0,0|2,0,0]=4 88 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [1,1,0,0,0,0|2,0,0]=4 89 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [1,1,0,0,0,0|1,0,1]=4 90 B7R0.2 C[C@H](O)CN(C)CF 5a09021deee6ed4ea8f52ce12dc22c90 [1,1,0,0,0,0|1,0,0]=3 91 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [1,1,0,0,0,0|1,0,0]=3 92 B7R0.16 CC(C)N(C)C(C)C abe10f19eddfed4a9330962779694b9d [1,1,0,0,0,0|2,0,0]=4 93 B7R0.8 CC(C)(Br)COCF a2ed6a616d532f8faaded75f8946e86e [1,1,0,0,0,0|2,0,0]=4 94 B7R0.8 CC(C)(C)CNCF b4c56cbeef23e3f51f1c67efe05a42df [1,1,0,0,0,0|2,0,0]=4 95 B7R0.8 CC(C)(C)CNCO c1ca679419b7e4db6816982a0d672727 [1,1,0,0,0,0|1,0,0]=3 96 B7R0.8 CC(C)(C)COCF 57dd80210ffbd1c389fc6f81c3e76251 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.8 CC(C)(C)NCCF c88c802f8761b836dd4a8f5e773aa49e [1,1,0,0,0,0|2,0,0]=4 98 B7R0.8 CC(C)(C)NCCO 75b47887fe68bbe774c0a4c47f9d7af9 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.8 CC(C)(C)NCCS 135c0df2231a86212e34458e8817f18c [1,1,0,0,0,0|1,1,0]=4 100 B7R0.8 CC(C)(F)COCF c2c8aa5e71579bf523c1627a80567a99 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.8 CC(C)(O)CNCF 95345509a679e8693329bc205f023ca6 [1,1,0,0,0,0|1,1,0]=4 102 B7R0.8 CC(C)(O)CNCO d699f26def379d72c9f3d780e8ba9c29 [1,1,0,0,0,0|0,1,0]=3 103 B7R0.8 CC(C)(S)COCF 5e5d9df6938dea8946b0e42a96b28fba [1,1,0,0,0,0|1,0,0]=3 104 B7R0.8 CCCNC(C)(C)C 1cb59707d776cfed599d4d0bd4c6e7fe [1,1,0,0,0,0|1,0,0]=3 105 B7R0.8 CCNCC(C)(C)C 1a60db159250e75c4f3bd43804435dab [1,1,0,0,0,0|1,0,0]=3 106 B7R0.8 CCNCC(C)(C)O 3f0e3cd5306f6e0eea72b143c91acc39 [1,1,0,0,0,0|0,1,0]=3 107 B7R0.8 CCOCC(C)(C)Br c5fd84cd204c784fac27f51432de2345 [1,1,0,0,0,0|1,0,0]=3 108 B7R0.8 CCOCC(C)(C)C cbc6e6dff9d30de641f2a7020db5e172 [1,1,0,0,0,0|1,0,0]=3 109 B7R0.8 CCOCC(C)(C)F 4ceebf68b1b3af46558065e266734baa [1,1,0,0,0,0|1,0,0]=3 110 B7R0.8 CCOCC(C)(C)S a7e0d94172e2fed0c574a998a7210b49 [1,1,0,0,0,0|0,0,0]=2 111 B7R0.8 COCNC(C)(C)C a4cfaef5ba15ef99baf838799ea7f8ef [1,1,0,0,0,0|2,0,0]=4 112 B7R0.8 CSCNC(C)(C)C f8dc1bf783c8bcac4db13c58c9d3a808 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.11 C#CC(C)(C)NCC 4e7a2dc62b6da47e4e55e15fbb84ccfc [1,1,0,0,0,0|2,0,0]=4 114 B7R0.11 C#CC(C)(C)NCO fd9eb36b32d713d95dde886926c0c102 [1,1,0,0,0,0|2,0,0]=4 115 B7R0.11 CC(C)(C#N)NCO 4fd94808236110e98a06e3cf014a5bd0 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.11 CC(C)(CF)NCO c940ff355764cfdd76020cc0b4ab5253 [1,1,0,0,0,0|2,0,0]=4 117 B7R0.11 CC(C)(CO)NCO 578f64725530e197f863ff1a0df69a3b [1,1,0,0,0,0|1,1,0]=4 118 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [1,1,0,0,0,0|2,0,0]=4 119 B7R0.11 CCNC(C)(C)C#N a6aa7c2beec82958604a84b90bc324e8 [1,1,0,0,0,0|2,0,0]=4 120 B7R0.11 CCNC(C)(C)CC adae57986ab49a20b402c3b11b898ff8 [1,1,0,0,0,0|2,0,0]=4 121 B7R0.11 CCNC(C)(C)CF bb534d52eb5abb944f47ed497fecbe74 [1,1,0,0,0,0|2,0,0]=4 122 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [1,1,0,0,0,0|1,1,0]=4 123 B7R0.14 CCN(C)C(C)(C)C b713cbd327d098cb797fd38b303de500 [1,1,0,0,0,0|2,0,0]=4 124 B7R0.14 CN(CO)C(C)(C)C 3ca3e9150fd005aa114afb95e9a613ad [1,1,0,0,0,0|2,0,0]=4 125 B9R0.10 CC(C)CN(C)C(C)(C)C 5fa0e2efaa790312e2acec3074e7db66 [0,1,0,0,0,1|2,0,0]=4 126 B9R0.10 CC(C)NC(C)C(C)(C)C 1d409a161d2f4b04aea2079d1fc5f78d [0,1,0,0,0,1|2,0,0]=4 127 B9R0.10 CC(C)NC(C)C(C)(C)O 2e568cd5dd4b8a68159de435ec48df4f [0,1,0,0,0,1|1,1,0]=4 128 B9R0.10 CC(C)N[C@@H](C)C(C)(C)C b34b5c34d3b3bfe592586073d9d5d698 [0,1,0,0,0,1|2,0,0]=4 129 B9R0.10 CC(C)N[C@@H](C)C(C)(C)O 5ad67a9026cd5e50402283b6b7ec2134 [0,1,0,0,0,1|1,1,0]=4 130 B9R0.10 CC(C)N[C@H](C)C(C)(C)C 3de9ed9730ba8c97537f7d66f314eb1e [0,1,0,0,0,1|2,0,0]=4 131 B9R0.10 CC(C)N[C@H](C)C(C)(C)O 4541007b020d4de79f96e5e9b7cfaff8 [0,1,0,0,0,1|1,1,0]=4 132 B9R0.10 CC(C)OC(C)C(C)(C)O 2b6023fcaa86d12858a08dd5409ced4f [0,1,0,0,0,1|1,1,0]=4 133 B9R0.10 CC(O)CN(C)C(C)(C)C ed69df9f98595797c73bd6769750aee1 [0,1,0,0,0,1|1,0,0]=3 134 B9R0.10 C[C@@H](O)CN(C)C(C)(C)C 943a7f7a3ba5a8bf762549de5a108569 [0,1,0,0,0,1|1,0,0]=3 135 B9R0.10 C[C@H](O)CN(C)C(C)(C)C 577d7e5d5def666d5285e9ab2fae0e30 [0,1,0,0,0,1|1,0,0]=3 136 B9R0.21 C#CC(C)NCC(C)(C)C a71ee806e6de70b12d4fbc7101575db6 [0,1,0,0,0,1|2,0,0]=4 137 B9R0.21 C#CC(C)NCC(C)(C)F e933ee1bae5909b672b895373362b4c3 [0,1,0,0,0,1|2,0,0]=4 138 B9R0.21 C#CC(C)NCC(C)(C)O 060f65aca00d105bbd3c5697802fca69 [0,1,0,0,0,1|1,1,0]=4 139 B9R0.21 C#CC(C)OCC(C)(C)Br 00c5fed2b9deef9441d3339cf91aaeb9 [0,1,0,0,0,1|2,0,0]=4 140 B9R0.21 C#CC(C)OCC(C)(C)C 65f4bcf6e7efd00a5fc83cef0d4c87af [0,1,0,0,0,1|2,0,0]=4 141 B9R0.21 C#CC(C)OCC(C)(C)F 36bd5ab6c7179c235f13634de1d3e740 [0,1,0,0,0,1|2,0,0]=4 142 B9R0.21 C#CC(C)OCC(C)(C)O 6510b49a322f02e25c1d07511c16fae4 [0,1,0,0,0,1|1,1,0]=4 143 B9R0.21 C#CC(C)OCC(C)(C)S 57a3408d32b2f0a8a0c3619ef80d6005 [0,1,0,0,0,1|1,0,0]=3 144 B9R0.21 C#C[C@@H](C)NCC(C)(C)C 9c077d132d6ae0d8bdd9b70999862672 [0,1,0,0,0,1|2,0,0]=4 145 B9R0.21 C#C[C@@H](C)NCC(C)(C)F bdf72edf6f53af76f812ea168ec29eca [0,1,0,0,0,1|2,0,0]=4 146 B9R0.21 C#C[C@@H](C)NCC(C)(C)O b6af621caccd29332a199b16002c616c [0,1,0,0,0,1|1,1,0]=4 147 B9R0.21 C#C[C@@H](C)OCC(C)(C)C 6ce025ef4acda94421d47249e2ab9973 [0,1,0,0,0,1|2,0,0]=4 148 B9R0.21 C#C[C@@H](C)OCC(C)(C)F 1865f7ff8e081195c0d1e8d9d23c2aa3 [0,1,0,0,0,1|2,0,0]=4 149 B9R0.21 C#C[C@@H](C)OCC(C)(C)O 8a6e4c534d8230f9cf1f5c63370aa543 [0,1,0,0,0,1|1,1,0]=4 150 B9R0.21 C#C[C@H](C)NCC(C)(C)C f81e53c4a6dd650847121bbcfc7d5bf1 [0,1,0,0,0,1|2,0,0]=4 151 B9R0.21 C#C[C@H](C)NCC(C)(C)F ab861f3d5b09eafcf68acec16bec7948 [0,1,0,0,0,1|2,0,0]=4 152 B9R0.21 C#C[C@H](C)NCC(C)(C)O 55aa7a6cf81377542a174dcc5b3144a5 [0,1,0,0,0,1|1,1,0]=4 153 B9R0.21 C#C[C@H](C)OCC(C)(C)C 1052b6c56329931189310ff1f482ee10 [0,1,0,0,0,1|2,0,0]=4 154 B9R0.21 C#C[C@H](C)OCC(C)(C)F 5f3ae13b08ec8705052880027c0347c8 [0,1,0,0,0,1|2,0,0]=4 155 B9R0.21 C#C[C@H](C)OCC(C)(C)O 4484c14dd394acb79d26a65953b61cc6 [0,1,0,0,0,1|1,1,0]=4 156 B9R0.21 C=CC(C)NCC(C)(C)C c150d58fe09bc8c009f4232a72ff0565 [0,1,0,0,0,1|2,0,0]=4 157 B9R0.21 C=CC(C)NCC(C)(C)F ae758d191485e7a9d007d0030461609f [0,1,0,0,0,1|2,0,0]=4 158 B9R0.21 C=CC(C)NCC(C)(C)O 862741c0f794a83a4d4392c9af7141e9 [0,1,0,0,0,1|1,1,0]=4 159 B9R0.21 C=CC(C)OCC(C)(C)Br 4c844cae66906cc67fc157a6956aa08f [0,1,0,0,0,1|2,0,0]=4 160 B9R0.21 C=CC(C)OCC(C)(C)C 14ebc7687bae1c6608abbb07eec850a6 [0,1,0,0,0,1|2,0,0]=4 161 B9R0.21 C=CC(C)OCC(C)(C)F ea90b7714110c6d34117a28c4d4c3290 [0,1,0,0,0,1|2,0,0]=4 162 B9R0.21 C=CC(C)OCC(C)(C)O 7fe08c0a8ab5afea49a733ec3e593613 [0,1,0,0,0,1|1,1,0]=4 163 B9R0.21 C=CC(C)OCC(C)(C)S 27b0a7c8978b05433d353582891ccac9 [0,1,0,0,0,1|1,0,0]=3 164 B9R0.21 C=C[C@H](C)OCC(C)(C)C d30af106a6834eacd7468d7ae2f61edc [0,1,0,0,0,1|2,0,0]=4 165 B9R0.21 C=C[C@H](C)OCC(C)(C)F 907339e66723c41de3f8e256cfbb8e17 [0,1,0,0,0,1|2,0,0]=4 166 B9R0.21 C=C[C@H](C)OCC(C)(C)O 2c105538fd00b0454d536c1d6b97f392 [0,1,0,0,0,1|1,1,0]=4 167 B9R0.21 CC(C#N)CNC(C)(C)C eaae93e0901ce51447b63e1ddf182873 [0,1,0,0,0,1|2,0,0]=4 168 B9R0.21 CC(C#N)NCC(C)(C)C 8f1ecda29422d3264f0f4b662a0f1474 [0,1,0,0,0,1|2,0,0]=4 169 B9R0.21 CC(C#N)NCC(C)(C)F 09d07a15361c4e7a1f939648dc643d17 [0,1,0,0,0,1|2,0,0]=4 170 B9R0.21 CC(C#N)NCC(C)(C)O a231105e9aefbdf85f893bf4860d5570 [0,1,0,0,0,1|1,1,0]=4 171 B9R0.21 CC(C#N)OCC(C)(C)C 54fd848e761cd366dd3b6505a112c289 [0,1,0,0,0,1|2,0,0]=4 172 B9R0.21 CC(C)(C)NCC(O)CF 108dec13f1874b452b29c7f768a8b7b3 [0,1,0,0,0,1|1,0,0]=3 173 B9R0.21 CC(C)(C)NCC(O)CO 8986bba11e7f4c8a53221419bd699525 [0,1,0,0,0,1|1,0,0]=3 174 B9R0.21 CC(C)(C)NC[C@@H](O)CO 5c71e5ecafed78f9d577c8fa1612421d [0,1,0,0,0,1|1,0,0]=3 175 B9R0.21 CC(C)(C)NC[C@H](O)CO ef9552ca7d4ef054d4b788b104249fd4 [0,1,0,0,0,1|1,0,0]=3 176 B9R0.21 CC(C=O)NCC(C)(C)C 3838356c7e214c381d0dd4db03444aad [0,1,0,0,0,1|1,0,1]=4 177 B9R0.21 CC(C=O)NCC(C)(C)O a13894859979fb0a5b794a34400ee308 [0,1,0,0,0,1|0,1,1]=4 178 B9R0.21 CC(C=O)OCC(C)(C)Br 0b56112ce3de547afed224fa140b0e24 [0,1,0,0,0,1|1,0,1]=4 179 B9R0.21 CC(C=O)OCC(C)(C)C f9b857e89b3f7c2f1032c1f3405e7fe0 [0,1,0,0,0,1|1,0,1]=4 180 B9R0.21 CC(C=O)OCC(C)(C)F 9a494567e2524ab6031a878183632632 [0,1,0,0,0,1|1,0,1]=4 181 B9R0.21 CC(C=O)OCC(C)(C)O 5f52dd56479144f5a1ea86765b0343e2 [0,1,0,0,0,1|0,1,1]=4 182 B9R0.21 CC(C=O)OCC(C)(C)S 25db606b360e67b647f80b9f0138ff0b [0,1,0,0,0,1|0,0,1]=3 183 B9R0.21 CC(CF)OCC(C)(C)C 6a38b4c9b2d312d4a902b56b53483acd [0,1,0,0,0,1|2,0,0]=4 184 B9R0.21 CC(CF)OCC(C)(C)F 73aecabdd4cbac659ea6882b49f5c393 [0,1,0,0,0,1|2,0,0]=4 185 B9R0.21 CC(CF)OCC(C)(C)O 381f904dcbd368831768925eda4ccdbe [0,1,0,0,0,1|1,1,0]=4 186 B9R0.21 CC(CO)CNC(C)(C)C 68adba4454102fe7d81ddfebd49ad567 [0,1,0,0,0,1|1,0,0]=3 187 B9R0.21 CC(CO)NCC(C)(C)C 73778b7c8d3fe9b1d83ebca6b4727554 [0,1,0,0,0,1|1,0,0]=3 188 B9R0.21 CC(CO)NCC(C)(C)F f5e27bafd1852eeda917797bb09c1a02 [0,1,0,0,0,1|1,0,0]=3 189 B9R0.21 CC(CO)NCC(C)(C)O aaf24e8c0d829aa8209ba08fc8192aa0 [0,1,0,0,0,1|0,1,0]=3 190 B9R0.21 CC(CO)NCC(C)(F)F e4543b1ecf5ed0472e5c9628646a2586 [0,1,0,0,0,1|2,0,0]=4 191 B9R0.21 CC(CS)OCC(C)(C)C db8e615d3ad6e47cf41237c05ef3f965 [0,1,0,0,0,1|1,1,0]=4 192 B9R0.21 CC(CS)OCC(C)(C)F 9f7553944bc6c8b6f053f1d3656163d2 [0,1,0,0,0,1|1,1,0]=4 193 B9R0.21 CC(CS)OCC(C)(C)O fbe54a58ad021bdb060a07ad363d3740 [0,1,0,0,0,1|0,2,0]=4 194 B9R0.21 CCC(C)CNC(C)(C)C 3d14aa268c857d2544eea8e19dd51a3d [0,1,0,0,0,1|2,0,0]=4 195 B9R0.21 CCC(C)NCC(C)(C)C a3708d227b5fb6ef095a105363e896d2 [0,1,0,0,0,1|2,0,0]=4 196 B9R0.21 CCC(C)NCC(C)(C)F 487f1c2db54b4e2a1c7e54adc73a6a82 [0,1,0,0,0,1|2,0,0]=4 197 B9R0.21 CCC(C)NCC(C)(C)O aba34fafe35994e0d517ee431ffd9a9f [0,1,0,0,0,1|1,1,0]=4 198 B9R0.21 CCC(C)OCC(C)(C)Br 9374aad6cb4a275afa46e773c5f60500 [0,1,0,0,0,1|2,0,0]=4 199 B9R0.21 CCC(C)OCC(C)(C)C 2465c1ff8f394565acbfbbc9a0f680e6 [0,1,0,0,0,1|2,0,0]=4 200 B9R0.21 CCC(C)OCC(C)(C)F 5e1a23122f806675ba27f2550c0b94bb [0,1,0,0,0,1|2,0,0]=4 201 B9R0.21 CCC(C)OCC(C)(C)O a9ea2b1e14c4931bb196c9059da7380e [0,1,0,0,0,1|1,1,0]=4 202 B9R0.21 CCC(C)OCC(C)(C)S 05dd60a62645a5032d2ba46f9866b85c [0,1,0,0,0,1|1,0,0]=3 203 B9R0.21 CCC(O)CNC(C)(C)C 425bc47af6ec616ab6b7d200a13c0743 [0,1,0,0,0,1|1,0,0]=3 204 B9R0.21 CC[C@@H](C)CNC(C)(C)C dcc5d2ec49f56856bb3b8f972ef12ca9 [0,1,0,0,0,1|2,0,0]=4 205 B9R0.21 CC[C@@H](C)NCC(C)(C)C 6efd0236944917d047fc3d44160f9505 [0,1,0,0,0,1|2,0,0]=4 206 B9R0.21 CC[C@@H](C)NCC(C)(C)F 1100cee40899bdac52c96313f18b2014 [0,1,0,0,0,1|2,0,0]=4 207 B9R0.21 CC[C@@H](C)NCC(C)(C)O 966229d52d67d58a4739436737b6261a [0,1,0,0,0,1|1,1,0]=4 208 B9R0.21 CC[C@@H](C)OCC(C)(C)C f781eaa6e1a45f9ed42928db488a7394 [0,1,0,0,0,1|2,0,0]=4 209 B9R0.21 CC[C@@H](C)OCC(C)(C)F 2250c802d53f43d2907965cbac9c9fac [0,1,0,0,0,1|2,0,0]=4 210 B9R0.21 CC[C@@H](C)OCC(C)(C)O ca51c114d8dbc7005ea491e687a9c300 [0,1,0,0,0,1|1,1,0]=4 211 B9R0.21 CC[C@H](C)CNC(C)(C)C b792afed57b93527f9e4134aace6fbed [0,1,0,0,0,1|2,0,0]=4 212 B9R0.21 CC[C@H](C)NCC(C)(C)C 1a438bf6c13bb2346a5c3f56683ce53d [0,1,0,0,0,1|2,0,0]=4 213 B9R0.21 CC[C@H](C)NCC(C)(C)F 1abe8d37a6c12e7610debdc7ff2698d9 [0,1,0,0,0,1|2,0,0]=4 214 B9R0.21 CC[C@H](C)NCC(C)(C)O 25791454de8f27753e9f9b905d3678ca [0,1,0,0,0,1|1,1,0]=4 215 B9R0.21 CC[C@H](C)OCC(C)(C)C ee94699045b538d0c93c7e7a705d5b6d [0,1,0,0,0,1|2,0,0]=4 216 B9R0.21 CC[C@H](C)OCC(C)(C)F edd3c34e74fb706443566192b511e9fd [0,1,0,0,0,1|2,0,0]=4 217 B9R0.21 CC[C@H](C)OCC(C)(C)O 68592e8d00916883495ce7132be519d1 [0,1,0,0,0,1|1,1,0]=4 218 B9R0.21 CN(CO)CCC(C)(C)C d748fb6d8d9e89b3606077d9a5e9d4cd [0,1,0,0,0,1|2,0,0]=4 219 B9R0.21 CN(CO)CCC(C)(C)O 8aee7cd09e2aa985cca5f51a3220be45 [0,1,0,0,0,1|1,1,0]=4 220 B9R0.21 COC(C)CNC(C)(C)C 00999724588cdf3beb5984890296df59 [0,1,0,0,0,1|1,0,0]=3 221 B9R0.21 CO[C@@H](C)CNC(C)(C)C eff1a37e8385fc6fd6ae8d3c640a837c [0,1,0,0,0,1|1,0,0]=3 222 B9R0.21 CO[C@H](C)CNC(C)(C)C 06c13d3efa2b5209478bcdfe09160394 [0,1,0,0,0,1|1,0,0]=3 223 B9R0.21 C[C@@H](CO)CNC(C)(C)C 326b8e6dcb8d3649b30a1436204e4f43 [0,1,0,0,0,1|1,0,0]=3 224 B9R0.21 C[C@@H](CO)NCC(C)(C)C a1cee352c271b38d666bddfe30e163d8 [0,1,0,0,0,1|1,0,0]=3 225 B9R0.21 C[C@@H](CO)NCC(C)(C)F 0dd8ec45dd5f4b18f0c2f546733b0f34 [0,1,0,0,0,1|1,0,0]=3 226 B9R0.21 C[C@@H](CO)NCC(C)(C)O 15dd465e00415d4e27c84afcf0f86ccf [0,1,0,0,0,1|0,1,0]=3 227 B9R0.21 C[C@@H](CO)NCC(C)(F)F 88c8a38bcc9bd5983ecfaa90961bf313 [0,1,0,0,0,1|2,0,0]=4 228 B9R0.21 C[C@H](C=O)NCC(C)(C)C bb021133604ac303dde791f68b83541c [0,1,0,0,0,1|1,0,1]=4 229 B9R0.21 C[C@H](C=O)NCC(C)(C)O 520aa1df5578975730173f782955fb1d [0,1,0,0,0,1|0,1,1]=4 230 B9R0.21 C[C@H](C=O)OCC(C)(C)Br b8f7dfdf7b11f730d833f8bad031e903 [0,1,0,0,0,1|1,0,1]=4 231 B9R0.21 C[C@H](C=O)OCC(C)(C)C 2cc776a3b2a0a79646dbd11011aa2d7a [0,1,0,0,0,1|1,0,1]=4 232 B9R0.21 C[C@H](C=O)OCC(C)(C)F b713835827eb46d5eff7929df85ba818 [0,1,0,0,0,1|1,0,1]=4 233 B9R0.21 C[C@H](C=O)OCC(C)(C)S b25e7baa4132e64c2cd9b4945c4f329b [0,1,0,0,0,1|0,0,1]=3 234 B9R0.21 C[C@H](CO)CNC(C)(C)C 12d58b947e424dcf68caa9f69587ca16 [0,1,0,0,0,1|1,0,0]=3 235 B9R0.21 C[C@H](CO)NCC(C)(C)C db5d84a564642c34b254d037857ea7fa [0,1,0,0,0,1|1,0,0]=3 236 B9R0.21 C[C@H](CO)NCC(C)(C)F b496aa1dbd1b7dd50f169aa9bfc82cd9 [0,1,0,0,0,1|1,0,0]=3 237 B9R0.21 C[C@H](CO)NCC(C)(C)O 23dccb85c524457429daf8d85a5e404e [0,1,0,0,0,1|0,1,0]=3 238 B9R0.21 C[C@H](CO)NCC(C)(F)F f1decafc5625f1a19af2d6500679ca19 [0,1,0,0,0,1|2,0,0]=4 239 B9R0.21 C[C@H](CS)OCC(C)(C)C e786f13d6a1916c4128fe97e9f817d60 [0,1,0,0,0,1|1,1,0]=4 240 B9R0.21 C[C@H](CS)OCC(C)(C)F 6ed75d275f2fa46514c514c9b33fdc99 [0,1,0,0,0,1|1,1,0]=4 241 B9R0.21 C[C@H](CS)OCC(C)(C)O 4ddb0f57264506b93b080ed31526d693 [0,1,0,0,0,1|0,2,0]=4 242 B9R0.57 CC(C)C(C)NC(C)(C)C e03d59a3b1731d107ff27020bd960447 [0,1,0,0,0,1|2,0,0]=4 243 B9R0.57 CC(C)N(C)CC(C)(C)C 08512ad2fdb6de590b65aa6322e9528b [0,1,0,0,0,1|2,0,0]=4 244 B9R0.57 CC(C)N(C)CC(C)(C)F 6b7a311c322044178d35bf1ab0aa64af [0,1,0,0,0,1|2,0,0]=4 245 B9R0.57 CC(C)N(C)CC(C)(C)O 43c3a34f73d475c8a8d1d1042567e205 [0,1,0,0,0,1|1,1,0]=4 246 B9R0.57 CC(O)C(=O)NC(C)(C)C 23056aec6da4db3d41ef8425650e1c1d [0,1,0,0,0,1|1,0,1]=4 247 B9R0.57 C[C@@H](O)C(=O)NC(C)(C)C 011e2a2d596841785fd47ad3800ff62c [0,1,0,0,0,1|1,0,1]=4 248 B9R0.57 C[C@H](O)C(=O)NC(C)(C)C 22b1603c55a416aee9c4d4a4668c1753 [0,1,0,0,0,1|1,0,1]=4 249 B9R0.64 C#CC(C)(C)COC(C)C 29f75e69f814cda0ce946d3a8870fc25 [0,1,0,0,0,1|2,0,0]=4 250 B9R0.64 C#CC(C)(C)NCC(C)C b06e267b16d8c798c0e94c7029af39e4 [0,1,0,0,0,1|2,0,0]=4 251 B9R0.64 C#CC(C)(C)NCC(C)O 7a2121869b5f5b7fd198dc16393e21ab [0,1,0,0,0,1|1,0,0]=3 252 B9R0.64 C#CC(C)(C)NC[C@@H](C)O 1d82a8543dd9fb2a390bb1959ba55acb [0,1,0,0,0,1|1,0,0]=3 253 B9R0.64 C#CC(C)(C)NC[C@H](C)O 586d68738c68d0d8694a9560af3c3667 [0,1,0,0,0,1|1,0,0]=3 254 B9R0.64 C=CC(C)(C)COC(C)C 1e661ee159bdc75900a33b2eaa3ac4f8 [0,1,0,0,0,1|2,0,0]=4 255 B9R0.64 CC(C)CNC(C)(C)C#N f7127bcd23f30745e650f3f62e7d0a25 [0,1,0,0,0,1|2,0,0]=4 256 B9R0.64 CC(C)CNC(C)(C)CF 239e2ac6f9b14f47d2d3fbae1582d05c [0,1,0,0,0,1|2,0,0]=4 257 B9R0.64 CC(C)CNC(C)(C)CO a92b717ccc1fca2b861da9edca6aa3f6 [0,1,0,0,0,1|1,1,0]=4 258 B9R0.64 CC(C)NCC(C)(C)C#N 222a318ca453488b392704731a5d87a2 [0,1,0,0,0,1|2,0,0]=4 259 B9R0.64 CC(C)NCC(C)(C)CF df3dafc8a644ab126fd849f1cf81fc5f [0,1,0,0,0,1|2,0,0]=4 260 B9R0.64 CC(C)NCC(C)(C)CO d3f2cc65bbcd112b95049e9ec7cab460 [0,1,0,0,0,1|1,1,0]=4 261 B9R0.64 CC(C)OCC(C)(C)C#N 6b109f37d86aa7a7daf081c43926e672 [0,1,0,0,0,1|2,0,0]=4 262 B9R0.64 CC(C)OCC(C)(C)C=O dd22ca227796ac50bed632f37768fd1e [0,1,0,0,0,1|1,1,0]=4 263 B9R0.64 CC(C)OCC(C)(C)CF 0bc7193dca049b52933d9804d260807e [0,1,0,0,0,1|2,0,0]=4 264 B9R0.64 CC(O)CNC(C)(C)C#N a6661dfecaf70796e7e544264c5f1454 [0,1,0,0,0,1|1,0,0]=3 265 B9R0.64 CC(O)CNC(C)(C)CF 749e7c04607b3e82b590ac677b6b68ee [0,1,0,0,0,1|1,0,0]=3 266 B9R0.64 CC(O)CNC(C)(C)CO 18a7b07a7e5f32ee42003816ed23d283 [0,1,0,0,0,1|0,1,0]=3 267 B9R0.64 CCC(C)(C)CNC(C)C f50ccaefa9c5dfb75b1b1c5521c295e9 [0,1,0,0,0,1|2,0,0]=4 268 B9R0.64 CCC(C)(C)NCC(C)C 91327ddad2c29d022223f0ab4bec488a [0,1,0,0,0,1|2,0,0]=4 269 B9R0.64 CCC(C)(C)NCC(C)O 8ed9d0ecf41567d89d26cfac7194a307 [0,1,0,0,0,1|1,0,0]=3 270 B9R0.64 CCC(C)(C)NC[C@@H](C)O d0780cd08b250256ff86aff8258c0967 [0,1,0,0,0,1|1,0,0]=3 271 B9R0.64 CCC(C)(C)NC[C@H](C)O d6bea49e50a3657e88ec6a71a9822808 [0,1,0,0,0,1|1,0,0]=3 272 B9R0.64 CCC(C)(O)CNC(C)C 58818f476b9d321d743398c81004e6e9 [0,1,0,0,0,1|1,1,0]=4 273 B9R0.64 COC(C)(C)CNC(C)C a8d26d895e530e1092eec24f535d5c52 [0,1,0,0,0,1|1,1,0]=4 274 B9R0.64 COC(C)(C)COC(C)C 4da9491a6efeeb50aa66cfcbc77fb916 [0,1,0,0,0,1|1,1,0]=4 275 B9R0.64 C[C@@H](O)CNC(C)(C)C#N 4df4c7ae3624125b148303e1e991c562 [0,1,0,0,0,1|1,0,0]=3 276 B9R0.64 C[C@@H](O)CNC(C)(C)CF 8c9e2d904131fc8228beb8260cceef25 [0,1,0,0,0,1|1,0,0]=3 277 B9R0.64 C[C@@H](O)CNC(C)(C)CO 9dd0a6f5f9dffa90b05a3d0892571929 [0,1,0,0,0,1|0,1,0]=3 278 B9R0.64 C[C@H](O)CNC(C)(C)C#N 2e60882227afb22b1104ab938a6f249c [0,1,0,0,0,1|1,0,0]=3 279 B9R0.64 C[C@H](O)CNC(C)(C)CF 5f5f64308c8ba7fe42a510e950fed743 [0,1,0,0,0,1|1,0,0]=3 280 B9R0.64 C[C@H](O)CNC(C)(C)CO 47299a9265b7177f6b9b1a1131c722e8 [0,1,0,0,0,1|0,1,0]=3 281 B9R0.77 CC(C)(C)CNC(C)(C)C 259a75843771bb8e01ef100b3fa0e603 [0,1,0,0,0,1|2,0,0]=4 282 B9R0.77 CC(C)(F)CNC(C)(C)C 39fbe8bdfac1323966db7fe63c81bb4b [0,1,0,0,0,1|2,0,0]=4 283 B9R0.77 CC(C)(O)CNC(C)(C)C dce123e25660307127cd9652bba1719a [0,1,0,0,0,1|1,0,0]=3 284 B9R0.77 CC(F)(F)CNC(C)(C)C 3957a3b53451591f379a4a7f18ce6d08 [0,1,0,0,0,1|2,0,0]=4 285 B9R0.22 C#CC(C)(C)NC(C)CO 33ba73b4822d591073366bf7b36009a5 [0,2,0,0,0,0|2,0,0]=4 286 B9R0.22 C#CC(C)(C)N[C@@H](C)CO 5e1e848dee122b8552c0749a890083ae [0,2,0,0,0,0|2,0,0]=4 287 B9R0.22 C#CC(C)(C)N[C@H](C)CO ca92e0402af52b415473fe8d79a6d938 [0,2,0,0,0,0|2,0,0]=4 288 B9R0.22 CC(CO)NC(C)(C)C#N 8a4a434269c18f469673c7093a462e14 [0,2,0,0,0,0|2,0,0]=4 289 B9R0.22 CC(CO)NC(C)(C)CF 06a5551c9962484a5d991be8990e3176 [0,2,0,0,0,0|2,0,0]=4 290 B9R0.22 CC(CO)NC(C)(C)CO 42cda0921407701cf6bb92bcbdfd63c5 [0,2,0,0,0,0|1,1,0]=4 291 B9R0.22 CN(CO)CC(C)(C)CO f6972bea6c50948d538b7621530567ea [0,2,0,0,0,0|1,1,0]=4 292 B9R0.22 C[C@@H](CO)NC(C)(C)C#N 6e64f9526e0f6df77f9c74b178c2b2fb [0,2,0,0,0,0|2,0,0]=4 293 B9R0.22 C[C@@H](CO)NC(C)(C)CF 5f725df114b6d45037dc1b2b744ad0e9 [0,2,0,0,0,0|2,0,0]=4 294 B9R0.22 C[C@@H](CO)NC(C)(C)CO eab4bb652001d245fbb0947e7403cc4a [0,2,0,0,0,0|1,1,0]=4 295 B9R0.22 C[C@H](CO)NC(C)(C)C#N 080606bd45f5848fa96a45906710c2d4 [0,2,0,0,0,0|2,0,0]=4 296 B9R0.22 C[C@H](CO)NC(C)(C)CF 66de288fee5f011cb47e8ee83ae64a6a [0,2,0,0,0,0|2,0,0]=4 297 B9R0.22 C[C@H](CO)NC(C)(C)CO fa772f0f92a9e759aba230ee47fc888b [0,2,0,0,0,0|1,1,0]=4 298 B9R0.25 CC(CO)N(C)C(C)(C)C 4a245ace74cc9301ddb8427e825eb20a [0,2,0,0,0,0|2,0,0]=4 299 B9R0.25 CC(N(C)CO)C(C)(C)C 2a94c993a79dfcc45ee1df94fb965390 [0,2,0,0,0,0|2,0,0]=4 300 B9R0.25 C[C@@H](CO)N(C)C(C)(C)C b0bf552c61790018f7565f5b05d9d76f [0,2,0,0,0,0|2,0,0]=4 301 B9R0.25 C[C@H](CO)N(C)C(C)(C)C 778fd38e9b2354a617c737cb9d29b51f [0,2,0,0,0,0|2,0,0]=4 302 B9R0.44 CC(CC(C)(C)C)OCF 340f3e9c1c3e0f02d42c4e894639e615 [0,2,0,0,0,0|1,0,0]=3 303 B9R0.44 CC(CC(C)(C)S)OCF 3a299efeb3df472653a72f0c2f248edd [0,2,0,0,0,0|0,0,0]=2 304 B9R0.44 CC(CCO)NC(C)(C)C 7be27cf2e8cdb3f0d278491919f2fda9 [0,2,0,0,0,0|2,0,0]=4 305 B9R0.44 CCOC(C)CC(C)(C)C ac5556f9675833c8530528d0c78a9983 [0,2,0,0,0,0|1,0,0]=3 306 B9R0.44 CCOC(C)CC(C)(C)S c3ceb85f6bafd03ecceb01ee39dd5983 [0,2,0,0,0,0|0,0,0]=2 307 B9R0.44 CN(CCO)CC(C)(C)C 4ffa08cd37ac308d0418e08208fc096a [0,2,0,0,0,0|2,0,0]=4 308 B9R0.44 CN(CCO)CC(C)(C)F fc3666fec848ab13eca970a43aae1495 [0,2,0,0,0,0|2,0,0]=4 309 B9R0.44 CN(CCO)CC(C)(C)O a534590749b15fb2d478ccecb82ce957 [0,2,0,0,0,0|1,1,0]=4 310 B9R0.44 COCC(C)NC(C)(C)C 653cf319a38190c51d30ec5a7a11d00f [0,2,0,0,0,0|2,0,0]=4 311 B9R0.44 COCN(C)CC(C)(C)C 4c06c4011b4ad9bada89477a0ab44a10 [0,2,0,0,0,0|2,0,0]=4 312 B9R0.44 COCN(C)CC(C)(C)O f556be14f0e8b0d30eed9680b6e6f53a [0,2,0,0,0,0|1,1,0]=4 313 B9R0.52 CC(C)(C)NC(CO)CO f02561f57c0836d61441e98e2cc54a14 [0,2,0,0,0,0|2,0,0]=4 314 B9R0.52 CCC(CO)NC(C)(C)C b427c443c76976fa269dad47da8e2aa5 [0,2,0,0,0,0|2,0,0]=4 315 B9R0.52 CCN(CO)CC(C)(C)O 6e2a6bac8a1fc84393fd74814a82352d [0,2,0,0,0,0|1,1,0]=4 316 B9R0.58 CSCC(C)(C)NC(C)C f4d137baeaedd01d26c47fe1b6471b7d [0,2,0,0,0,0|2,0,0]=4 317 B7R1.20 CC(C)NC1CC1 42821cd4935984c3074bdbd29bffeb6b [1,0,0,1,0,0|2,0,0]=4 318 B7R1.20 CC(C)OC1CC1 2ba1c960117d477fcaacedd25b727831 [1,0,0,1,0,0|2,0,0]=4 319 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [1,0,0,1,0,0|2,0,0]=4 321 B7R1.23 CC1(CN1CO)C e0279fee84fe6f7f5186cbf1fccd93be [1,0,0,1,0,0|2,0,0]=4 322 B7R1.23 CCN1CC1(C)C c470c4a7bc80dec5721690a60993dfb1 [1,0,0,1,0,0|2,0,0]=4 323 B9R1.115 CC(C)(Br)COC1CC1 c463157cc2764e32666c691a5fc01220 [0,0,0,1,0,1|2,0,0]=4 324 B9R1.115 CC(C)(C)CNC1CC1 6381d95405b84b22dbf7a109d69ebda3 [0,0,0,1,0,1|2,0,0]=4 325 B9R1.115 CC(C)(C)COC1CC1 f77e5c1bf397f39fe0f72989e49ca5d6 [0,0,0,1,0,1|2,0,0]=4 326 B9R1.115 CC(C)(C)NCC1CC1 d36a73de040163d6202f3e0a7946e788 [0,0,0,1,0,1|2,0,0]=4 327 B9R1.115 CC(C)(F)CNC1CC1 0c788e7ebd1d6c8a39cecd31437cd29f [0,0,0,1,0,1|2,0,0]=4 328 B9R1.115 CC(C)(F)COC1CC1 8f3551d7e45f590efba913cedf432916 [0,0,0,1,0,1|2,0,0]=4 329 B9R1.115 CC(C)(O)CNC1CC1 750a25f581711d27063a1bcebdb49cf5 [0,0,0,1,0,1|1,1,0]=4 330 B9R1.115 CC(C)(O)COC1CC1 d6b58dbcb0077f816e38464095fc5038 [0,0,0,1,0,1|1,1,0]=4 331 B9R1.115 CC(C)(S)COC1CC1 72b52782fe99da43b611154f32eca9b1 [0,0,0,1,0,1|1,0,0]=3 332 B9R1.147 CC(C)CNC1(CC1)C d4ef3c896e49a0cdc330d4e4b07284f9 [0,0,0,1,0,1|2,0,0]=4 333 B9R1.147 CC(C)NCC1(CC1)F a58e767acc42dd49568b87cd85ca5507 [0,0,0,1,0,1|2,0,0]=4 334 B9R1.147 CC(C)NCC1(CC1)O 73e61eeaa3631d488d63adf746cfc5ef [0,0,0,1,0,1|1,1,0]=4 335 B9R1.147 CC(C)OCC1(CC1)Br 4c4acf3c86f4b371b4d83065183e5e7c [0,0,0,1,0,1|2,0,0]=4 336 B9R1.147 CC(C)OCC1(CC1)C 87a02763ac6c124ba63f38074cf4bc03 [0,0,0,1,0,1|2,0,0]=4 337 B9R1.147 CC(C)OCC1(CC1)Cl fc20ca0bb052e9a81ad1a3a6c539bfc6 [0,0,0,1,0,1|2,0,0]=4 338 B9R1.147 CC(C)OCC1(CC1)F bc9742343bda6fdbab3133e81f4f8325 [0,0,0,1,0,1|2,0,0]=4 339 B9R1.147 CC(O)CNC1(CC1)C fbe973e56e5b0db461a234a0f374e3f6 [0,0,0,1,0,1|1,0,0]=3 340 B9R1.147 C[C@@H](O)CNC1(CC1)C 4feeb8106ac1ced4ac27a53546454438 [0,0,0,1,0,1|1,0,0]=3 341 B9R1.147 C[C@H](O)CNC1(CC1)C 6ef19da8ad98c18435c1151aa600c40d [0,0,0,1,0,1|1,0,0]=3 342 B9R1.164 CC(C)N1CC(C1)(C)C ba18b4ac5f01de4fa222837932dcbdd7 [0,0,0,1,0,1|2,0,0]=4 343 B9R1.164 CC(C)N1CC(C1)(C)O 63ae1f3d2854480b348023bf3d0e7641 [0,0,0,1,0,1|1,1,0]=4 344 B9R1.170 CC(C)CN1CC1(C)C 81182ea7308b54553a96deccac152648 [0,0,0,1,0,1|2,0,0]=4 345 B9R1.170 CC(C)NC1CC1(C)C 162832c3a323e49631fbdb682df74a5f [0,0,0,1,0,1|2,0,0]=4 346 B9R1.170 CC(C)N[C@@H]1CC1(C)C 73fff81fa723141026c17b241a450585 [0,0,0,1,0,1|2,0,0]=4 347 B9R1.170 CC(C)N[C@H]1CC1(C)C 22352325ee90bad90939d8831b971a6c [0,0,0,1,0,1|2,0,0]=4 348 B9R1.170 CC(C)OC1CC1(C)C 437ef293869b6023472b0232cfe3aac7 [0,0,0,1,0,1|2,0,0]=4 349 B9R1.170 CC(O)CN1CC1(C)C 749120acc6acdf8a355ce53797608b2d [0,0,0,1,0,1|1,0,0]=3 350 B9R1.170 C[C@@H](O)CN1CC1(C)C 49c7a0ac05f4e0e224ebe66d94c2ff26 [0,0,0,1,0,1|1,0,0]=3 351 B9R1.170 C[C@H](O)CN1CC1(C)C c2c469e019ed9c67aca1e9590c5f308e [0,0,0,1,0,1|1,0,0]=3 352 B9R1.113 CC(CO)NC1(CC1)C 6c0b3b42e07c79756476a116676768a0 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.113 CN(CO)CC1(CC1)C b3a1a3fdb371ffbe1727ebed9631f336 [0,1,0,1,0,0|2,0,0]=4 354 B9R1.113 C[C@@H](CO)NC1(CC1)C e3a53bd5227327f6268ae8bbbb92ffc2 [0,1,0,1,0,0|2,0,0]=4 355 B9R1.113 C[C@H](CO)NC1(CC1)C 798706c7d6be064b366fc607d58a9934 [0,1,0,1,0,0|2,0,0]=4 356 B9R1.114 CC(C)(C)NC1COC1 b4c9f12efd98dda9cf5849fce030f3a7 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.133 CC1(CCN(C1)CO)C d158c1421c0d2d0dc5d2a63182ce978f [0,1,0,1,0,0|2,0,0]=4 358 B9R1.133 CC1(CCN(C1)CO)F ea38e5f05e44fe13f1b925965d4367c3 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.133 CC1(CCN(C1)CO)O 439376ce5ca9e12a754ca0209e377cb1 [0,1,0,1,0,0|1,1,0]=4 360 B9R1.133 C[C@@]1(CCN(C1)CO)O 1ec86443162899d51853c9f0f7777401 [0,1,0,1,0,0|1,1,0]=4 361 B9R1.133 C[C@]1(CCN(C1)CO)O a66df1802f5c85956acee1c46bbb3320 [0,1,0,1,0,0|1,1,0]=4 362 B9R1.185 CC(CO)N1CC1(C)C caf2eaed47722d4e8d35811e9f4a971a [0,1,0,1,0,0|2,0,0]=4 363 B9R1.185 C[C@@H](CO)N1CC1(C)C 532da593b870e903726a591863dea785 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.185 C[C@H](CO)N1CC1(C)C 851c75694dc4b1bd37f021c50a20078d [0,1,0,1,0,0|2,0,0]=4 365 B9R1.171 CC(C)NC1(CSC1)C 57cb25d037893efd8395a73d8852d36a [0,1,0,1,0,0|2,0,0]=4 366 B7R0.6 C=C(C)CNC(C)C a1a7325d3d8a8203023e8236e36cdc1a [1,0,0,0,0,1|1,0,1]=4 367 B7R0.6 C=C(C)COC(C)C 1163708fe8e5f25f773925b58859ae9a [1,0,0,0,0,1|1,0,1]=4 368 B7R0.6 CC(=O)CNC(C)C afe0e5afa4a4991702b8d7ba141d2521 [1,0,0,0,0,1|0,0,2]=4 369 B7R0.6 CC(=O)COC(C)C 8e58824c7076e094538494c263248304 [1,0,0,0,0,1|0,0,2]=4 370 B7R0.6 CC(=O)NCC(C)C 133e349c691ad200ad773179becc5ae8 [1,0,0,0,0,1|0,0,2]=4 371 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [1,0,0,0,0,1|0,1,1]=4 372 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [1,0,0,0,0,1|0,1,1]=4 373 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [1,0,0,0,0,1|0,1,1]=4 374 B7R0.6 CC(C)CNC(C)C 196a13ba094adf361c17685c0872f24d [1,0,0,0,0,1|1,0,0]=3 375 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [1,0,0,0,0,1|1,0,0]=3 376 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [1,0,0,0,0,1|1,0,1]=4 377 B7R0.6 CC(C)NCC(F)F e16f4a2920b36a22dd7fc9f2f8c67c3b [1,0,0,0,0,1|2,0,0]=4 378 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [1,0,0,0,0,1|0,0,0]=2 379 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [1,0,0,0,0,1|0,0,0]=2 380 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [1,0,0,0,0,1|1,0,1]=4 381 B7R0.6 CC(C)OCC(F)F 3a22706a89b0937c0849011a08e51b94 [1,0,0,0,0,1|2,0,0]=4 382 B7R0.6 CC(C)OCN(C)C 10d50f079b7aea6fe97d70fc778c501b [1,0,0,0,0,1|2,0,0]=4 383 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [1,0,0,0,0,1|2,0,0]=4 384 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [1,0,0,0,0,1|1,0,0]=3 385 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [1,0,0,0,0,1|1,0,0]=3 386 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [1,0,0,0,0,1|1,0,0]=3 387 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [1,0,0,0,0,1|0,0,0]=2 388 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [1,0,0,0,0,1|0,1,0]=3 389 B9R0.56 C=C(C)COCC(C)(C)S a01e60099090a6cfea9b4661c6c98fd6 [0,0,0,0,0,2|1,0,1]=4 390 B9R0.56 CC(C)(S)COCC(=O)O 179792a8f36e7a74693997e52ca1a93c [0,0,0,0,0,2|1,0,1]=4 391 B9R0.56 CC(C)(S)COCC(F)F 69c26eb8794608b5b55a4692ceb39773 [0,0,0,0,0,2|2,0,0]=4 392 B9R0.56 CC(C)CCNC(C)(C)C 0a276542af1d38ed53865c6c48d62802 [0,0,0,0,0,2|2,0,0]=4 393 B9R0.56 CC(C)CNCC(C)(C)C 7997c18a7b13d27d1e9e60b03a0d552e [0,0,0,0,0,2|2,0,0]=4 394 B9R0.56 CC(C)CNCC(C)(C)F acefeffe9d47cb4365c6f7349ec633ee [0,0,0,0,0,2|2,0,0]=4 395 B9R0.56 CC(C)CNCC(C)(C)O 55a6795727651dc6bb928570ea3c87c8 [0,0,0,0,0,2|1,1,0]=4 396 B9R0.56 CC(C)COCC(C)(C)Br ecb47d97e36d96b76a3898feecfc53fc [0,0,0,0,0,2|2,0,0]=4 397 B9R0.56 CC(C)COCC(C)(C)C 4ffe32246c7d77bbb1cbe9eb4250307f [0,0,0,0,0,2|2,0,0]=4 398 B9R0.56 CC(C)COCC(C)(C)F 7e56de1b82f2f6659fb5ca4c39dcea0f [0,0,0,0,0,2|2,0,0]=4 399 B9R0.56 CC(C)COCC(C)(C)O f93cde77abf1ca1b7cdd468751deaadd [0,0,0,0,0,2|1,1,0]=4 400 B9R0.56 CC(C)COCC(C)(C)S 2be11c3059256fbdbfa22e8495e2231e [0,0,0,0,0,2|1,0,0]=3 401 B9R0.56 CC(C)NCCC(C)(C)C a4b473d402e07e825000d07a509f344d [0,0,0,0,0,2|2,0,0]=4 402 B9R0.56 CC(C)NCCC(C)(C)F 9a1518e695d562131f8fc698e3e8d2d3 [0,0,0,0,0,2|2,0,0]=4 403 B9R0.56 CC(C)NCCC(C)(C)O 03abc3e07e78e8ef71ecbbfdc1f051c5 [0,0,0,0,0,2|1,1,0]=4 404 B9R0.56 CC(C)OCCC(C)(C)C 5c801305f8d02b6dc0a66a7ae1918286 [0,0,0,0,0,2|2,0,0]=4 405 B9R0.56 CC(C)OCCC(C)(C)O 38132787d8ad654cd0616fc9176a2955 [0,0,0,0,0,2|1,1,0]=4 406 B9R0.56 CC(C)OCCC(C)(C)S 5df7564adfc67f13e1736e5751c9128d [0,0,0,0,0,2|1,0,0]=3 407 B9R0.56 CC(C)OCNC(C)(C)C b09bcd2a2f026f8439ee3fe5d33b2e1e [0,0,0,0,0,2|2,0,0]=4 408 B9R0.56 CC(F)COCC(C)(C)C 8ac7d17e14df4d14afc689c3daec8de7 [0,0,0,0,0,2|2,0,0]=4 409 B9R0.56 CC(F)COCC(C)(C)F 350015670cdd27c0402cd78f6b94270e [0,0,0,0,0,2|2,0,0]=4 410 B9R0.56 CC(F)COCC(C)(C)O cf5554c5d89d65e2a1833d3d7bf27b69 [0,0,0,0,0,2|1,1,0]=4 411 B9R0.56 CC(O)CCNC(C)(C)C fd58bc50cd1185194ebefe23f8e64d6f [0,0,0,0,0,2|1,0,0]=3 412 B9R0.56 CC(O)CNCC(C)(C)C 048ed47f8f87997370351033a0fb4f3c [0,0,0,0,0,2|1,0,0]=3 413 B9R0.56 CC(O)CNCC(C)(C)F ef0445ef2adfdea4875ef0f412406b2f [0,0,0,0,0,2|1,0,0]=3 414 B9R0.56 CC(O)CNCC(C)(C)O 0bf00996e32678cc254a6456a9b49d9f [0,0,0,0,0,2|0,1,0]=3 415 B9R0.56 CC(O)CNCC(C)(F)F 3d1984401443af135b59468b1f432fa7 [0,0,0,0,0,2|2,0,0]=4 416 B9R0.56 CC(S)COCC(C)(C)C deb03c92b2259370f6292e77626bff54 [0,0,0,0,0,2|1,1,0]=4 417 B9R0.56 CC(S)COCC(C)(C)F cc04ac4324c8fdaa32d04883ba628f27 [0,0,0,0,0,2|1,1,0]=4 418 B9R0.56 CC(S)COCC(C)(C)O 4a3498d8318b7575cdf8a36dbd3521a3 [0,0,0,0,0,2|0,2,0]=4 419 B9R0.56 CN(C)COCC(C)(C)S d2f98dfc8a529b82932f4925f21f57d3 [0,0,0,0,0,2|2,0,0]=4 420 B9R0.56 C[C@@H](F)COCC(C)(C)C e4c77fd8683744fde510e248c89e9e2d [0,0,0,0,0,2|2,0,0]=4 421 B9R0.56 C[C@@H](F)COCC(C)(C)F e46319df5e8802ed403052e99358231b [0,0,0,0,0,2|2,0,0]=4 422 B9R0.56 C[C@@H](F)COCC(C)(C)O 5e420afc1038c5878527b3a7106404a2 [0,0,0,0,0,2|1,1,0]=4 423 B9R0.56 C[C@@H](O)CNCC(C)(C)C e24c5742e85c56f448fca56a06ecb6c2 [0,0,0,0,0,2|1,0,0]=3 424 B9R0.56 C[C@@H](O)CNCC(C)(C)F 2e0d1f3f11801f0fd5c847d419e46487 [0,0,0,0,0,2|1,0,0]=3 425 B9R0.56 C[C@@H](O)CNCC(C)(C)O 2965a1474ef46ba45c23c23dfa8da31d [0,0,0,0,0,2|0,1,0]=3 426 B9R0.56 C[C@@H](O)CNCC(C)(F)F 004b6f9b81d7a55a8b0851ed65f29435 [0,0,0,0,0,2|2,0,0]=4 427 B9R0.56 C[C@H](F)COCC(C)(C)C 3a51168cd2675a15966fb8c46e907389 [0,0,0,0,0,2|2,0,0]=4 428 B9R0.56 C[C@H](F)COCC(C)(C)F a390b00057ebb227ddcd028b95aa5a9f [0,0,0,0,0,2|2,0,0]=4 429 B9R0.56 C[C@H](F)COCC(C)(C)O b2ab87f2d04c1faf0f4dc333c7b63206 [0,0,0,0,0,2|1,1,0]=4 430 B9R0.56 C[C@H](O)CNCC(C)(C)C 839f70eac03de4b26553957d28f98233 [0,0,0,0,0,2|1,0,0]=3 431 B9R0.56 C[C@H](O)CNCC(C)(C)F 62fcd0a4cbef4ab589ee846eeda88043 [0,0,0,0,0,2|1,0,0]=3 432 B9R0.56 C[C@H](O)CNCC(C)(C)O 1c1d357114249daad2c78031fef5d940 [0,0,0,0,0,2|0,1,0]=3 433 B9R0.56 C[C@H](O)CNCC(C)(F)F 384b96c7ad9cc3ac0aa883e8c354846a [0,0,0,0,0,2|2,0,0]=4