0 B9R1.23 CC1CN(CC1O)CF 5911cc3ee512a5a089346216a51d1259 [0,1,0,0,0,0|2,1,0]=4 1 B9R1.23 CC1CN(CC1O)CO 02d531c410ac723580dd6a472d051502 [0,1,0,0,0,0|2,1,0]=4 2 B9R1.23 CCN1CC(C(C1)O)C c9c9d5e6873216e0f55b0333b65c70fc [0,1,0,0,0,0|2,1,0]=4 3 B9R1.23 CCN1C[C@H]([C@H](C1)O)C 2e3b142959fc71d6a42284d936b3dab4 [0,1,0,0,0,0|2,1,0]=4 4 B9R1.23 C[C@@H]1CN(C[C@@H]1O)CF 554b537adb373f97f8743d2fb00303eb [0,1,0,0,0,0|2,1,0]=4 5 B9R1.23 C[C@@H]1CN(C[C@@H]1O)CO c0d89957750bb2dc22e0f19dfa3b73c5 [0,1,0,0,0,0|2,1,0]=4 6 B7R0.2 C#CC(C)NC(C)C 1adfd08d21a60fe3922bad2a8cac6fc5 [0,0,1,0,0,0|2,0,1]=4 7 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [0,0,1,0,0,0|1,0,1]=3 8 B7R0.2 C#C[C@@H](C)NC(C)C 4fb0ba4a4d14b34bf0f7402f8af0e7a0 [0,0,1,0,0,0|2,0,1]=4 9 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [0,0,1,0,0,0|1,0,1]=3 10 B7R0.2 C#C[C@H](C)NC(C)C 9a0729fd31b9e7a065041f3f67ecd743 [0,0,1,0,0,0|2,0,1]=4 11 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [0,0,1,0,0,0|1,0,1]=3 12 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,0,1,0,0,0|2,0,1]=4 13 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,0,1,0,0,0|1,0,1]=3 14 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,0,1,0,0,0|1,0,1]=3 15 B7R0.2 CC(C)CN(C)CF f2a6b79f5877628929a1b31fd183a5d0 [0,0,1,0,0,0|3,0,0]=4 16 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [0,0,1,0,0,0|2,1,0]=4 17 B7R0.2 CC(C)NC(C)C#N 67530a843e87041c95d3c81be4de1aa8 [0,0,1,0,0,0|2,0,1]=4 18 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [0,0,1,0,0,0|1,1,0]=3 19 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [0,0,1,0,0,0|1,1,0]=3 20 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [0,0,1,0,0,0|1,1,0]=3 21 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [0,0,1,0,0,0|1,0,1]=3 22 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,0,1,0,0,0|0,1,1]=3 23 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,0,1,0,0,0|1,0,0]=2 24 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,0,1,0,0,0|0,0,0]=1 25 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,0,1,0,0,0|0,1,1]=3 26 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,0,1,0,0,0|0,0,0]=1 27 B7R0.2 CC(O)CN(C)CF c09526189cafd23891f682c66649d125 [0,0,1,0,0,0|3,0,0]=4 28 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [0,0,1,0,0,0|3,0,0]=4 29 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,0,1,0,0,0|2,0,0]=3 30 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,0,1,0,0,0|1,0,0]=2 31 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,0,1,0,0,0|3,0,0]=4 32 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,0,1,0,0,0|2,0,0]=3 33 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,0,1,0,0,0|2,0,0]=3 34 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,0,1,0,0,0|2,0,0]=3 35 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,0,1,0,0,0|2,0,0]=3 36 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,0,1,0,0,0|1,0,0]=2 37 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,0,1,0,0,0|2,0,0]=3 38 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,0,1,0,0,0|1,0,0]=2 39 B7R0.2 C[C@H](O)CN(C)CF 5a09021deee6ed4ea8f52ce12dc22c90 [0,0,1,0,0,0|3,0,0]=4 40 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [0,0,1,0,0,0|3,0,0]=4 41 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,0,1,0,0,0|1,1,1]=4 42 B7R0.5 CC(C)C(C)NCF 643136cdaccdc2c2feaceaf8387098cb [0,0,1,0,0,0|3,0,0]=4 43 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,0,1,0,0,0|3,0,0]=4 44 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,0,1,0,0,0|2,0,0]=3 45 B7R0.5 CC(C)[C@@H](C)NCF b41e18f15d7a7a980d0fe6a1eba98267 [0,0,1,0,0,0|3,0,0]=4 46 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,0,1,0,0,0|3,0,0]=4 47 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,0,1,0,0,0|2,0,0]=3 48 B7R0.5 CC(C)[C@H](C)NCF e48701e9d3440c0ecd05eac322b8d2d3 [0,0,1,0,0,0|3,0,0]=4 49 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,0,1,0,0,0|3,0,0]=4 50 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,0,1,0,0,0|2,0,0]=3 51 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,0,1,0,0,0|2,1,0]=4 52 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,0,1,0,0,0|2,1,0]=4 53 B7R0.5 CC(OCF)C(F)F 16365069207606d0fbef2881afd73236 [0,0,1,0,0,0|3,0,0]=4 54 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,0,1,0,0,0|1,0,0]=2 55 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,0,1,0,0,0|3,0,0]=4 56 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,0,1,0,0,0|2,0,0]=3 57 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,0,1,0,0,0|1,1,0]=3 58 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,0,1,0,0,0|2,0,0]=3 59 B7R0.5 CCN[C@@H](C)C(F)F f76fde6ed819e493c6854180a8253124 [0,0,1,0,0,0|3,0,0]=4 60 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,0,1,0,0,0|2,0,0]=3 61 B7R0.5 CCN[C@H](C)C(F)F 9d31d6515dd78ca74d9458514fa1e8c8 [0,0,1,0,0,0|3,0,0]=4 62 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,0,1,0,0,0|0,1,1]=3 63 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,0,1,0,0,0|1,1,1]=4 64 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,0,1,0,0,0|1,1,1]=4 65 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,0,1,0,0,0|1,0,0]=2 66 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,0,1,0,0,0|0,0,0]=1 67 B7R0.5 CCOC(C)C(F)F 6f25fcdcd396a613a3486f9e7e152366 [0,0,1,0,0,0|2,0,0]=3 68 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,0,1,0,0,0|1,1,1]=4 69 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,0,1,0,0,0|1,1,1]=4 70 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,0,1,0,0,0|1,0,0]=2 71 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,0,1,0,0,0|1,1,1]=4 72 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,0,1,0,0,0|1,1,1]=4 73 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,0,1,0,0,0|1,0,0]=2 74 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,0,1,0,0,0|1,0,1]=3 75 B7R0.7 C#CCC(C)OCF 16061fafa3f4241ec92e731e35fafd1d [0,0,1,0,0,0|2,0,1]=4 76 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,0,1,0,0,0|1,0,2]=4 77 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,0,1,0,0,0|1,0,1]=3 78 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,0,1,0,0,0|2,0,1]=4 79 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,0,1,0,0,0|1,0,1]=3 80 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,0,1,0,0,0|2,0,1]=4 81 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,0,1,0,0,0|1,0,1]=3 82 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,0,1,0,0,0|2,0,1]=4 83 B7R0.7 CC#CC(C)OCC 7d169bd73109df0adecd56f315bb5686 [0,0,1,0,0,0|1,0,2]=4 84 B7R0.7 CC(CC#N)OCF 0972addb855c14f5b1b9ae512dd7d335 [0,0,1,0,0,0|2,0,1]=4 85 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,0,1,0,0,0|2,1,0]=4 86 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,0,1,0,0,0|2,1,0]=4 87 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,0,1,0,0,0|1,0,2]=4 88 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,0,1,0,0,0|2,0,1]=4 89 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,0,1,0,0,0|2,0,0]=3 90 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,0,1,0,0,0|3,0,0]=4 91 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,0,1,0,0,0|2,1,0]=4 92 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,0,1,0,0,0|1,0,0]=2 93 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,0,1,0,0,0|2,0,0]=3 94 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,0,1,0,0,0|3,0,0]=4 95 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,0,1,0,0,0|3,0,0]=4 96 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,0,1,0,0,0|2,1,0]=4 97 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,0,1,0,0,0|2,0,0]=3 98 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,0,1,0,0,0|1,0,0]=2 99 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,0,1,0,0,0|2,0,0]=3 100 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,0,1,0,0,0|2,0,0]=3 101 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,0,1,0,0,0|3,0,0]=4 102 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,0,1,0,0,0|2,1,0]=4 103 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,0,1,0,0,0|1,0,0]=2 104 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,0,1,0,0,0|2,0,0]=3 105 B7R0.7 CCNC(C)CC#N 896c231cd495c6357e72819fab470c66 [0,0,1,0,0,0|2,0,1]=4 106 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,0,1,0,0,0|1,1,0]=3 107 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,0,1,0,0,0|3,0,0]=4 108 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,0,1,0,0,0|1,1,0]=3 109 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,0,1,0,0,0|3,0,0]=4 110 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,0,1,0,0,0|1,1,0]=3 111 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,0,1,0,0,0|3,0,0]=4 112 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,0,1,0,0,0|1,0,1]=3 113 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,0,1,0,0,0|2,0,0]=3 114 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,0,1,0,0,0|2,0,0]=3 115 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,0,1,0,0,0|1,0,1]=3 116 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,0,1,0,0,0|2,0,0]=3 117 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,0,1,0,0,0|1,0,1]=3 118 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,0,1,0,0,0|2,0,0]=3 119 B7R0.7 CN(CCF)CCS 51a5a054c764c97b1b3f4764ff1b15f7 [0,0,1,0,0,0|3,0,0]=4 120 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,0,1,0,0,0|3,0,0]=4 121 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,0,1,0,0,0|3,0,0]=4 122 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,0,1,0,0,0|3,0,0]=4 123 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,0,1,0,0,0|3,0,0]=4 124 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.7 C[C@@H](CC#N)OCF 69332a263c9d59474fcf15322740989a [0,0,1,0,0,0|2,0,1]=4 126 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,0,1,0,0,0|2,1,0]=4 127 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,0,1,0,0,0|2,1,0]=4 128 B7R0.7 C[C@H](CC#N)OCF 9dbd768d6224ac240ada1a649aeb97a3 [0,0,1,0,0,0|2,0,1]=4 129 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,0,1,0,0,0|2,1,0]=4 130 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,0,1,0,0,0|2,1,0]=4 131 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [1,0,1,0,0,0|0,0,2]=4 132 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [1,0,1,0,0,0|0,0,2]=4 133 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [1,0,1,0,0,0|0,0,2]=4 134 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [1,0,1,0,0,0|0,0,2]=4 135 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [1,0,1,0,0,0|0,0,2]=4 136 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [1,0,1,0,0,0|2,0,0]=4 137 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [1,0,1,0,0,0|1,0,0]=3 138 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [1,0,1,0,0,0|2,0,0]=4 139 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [1,0,1,0,0,0|1,1,0]=4 140 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [1,0,1,0,0,0|1,0,0]=3 141 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,1,0,0,0|2,0,0]=4 142 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [1,0,1,0,0,0|2,0,0]=4 143 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,0,1,0,0,0|2,0,0]=4 144 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,0,1,0,0,0|1,1,0]=4 145 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,0,1,0,0,0|1,0,0]=3 146 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,0,1,0,0,0|1,0,0]=3 147 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [1,0,1,0,0,0|1,1,0]=4 148 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,0,1,0,0,0|1,0,0]=3 149 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [1,0,1,0,0,0|1,1,0]=4 150 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,0,1,0,0,0|1,0,0]=3 151 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [1,0,1,0,0,0|1,1,0]=4 152 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [1,0,1,0,0,0|0,1,1]=4 153 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,0,1,0,0,0|0,0,0]=2 154 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,0,1,0,0,0|1,0,0]=3 155 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,0,1,0,0,0|0,0,0]=2 156 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,0,1,0,0,0|0,0,0]=2 157 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,0,1,0,0,0|0,0,0]=2 158 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,0,1,0,0,0|0,0,0]=2 159 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [1,0,1,0,0,0|2,0,0]=4 160 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [1,0,1,0,0,0|1,1,0]=4 161 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [1,0,1,0,0,0|1,0,0]=3 162 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [1,0,1,0,0,0|2,0,0]=4 163 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [1,0,1,0,0,0|1,1,0]=4 164 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [1,0,1,0,0,0|1,0,0]=3 165 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [1,0,1,0,0,0|1,0,0]=3 166 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [1,0,1,0,0,0|0,0,0]=2 167 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [1,0,1,0,0,0|1,0,1]=4 168 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,0,1,0,0,0|1,0,1]=4 169 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [1,0,1,0,0,0|1,0,1]=4 170 B6R0.4 CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [1,0,1,0,0,0|2,0,0]=4 171 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [1,0,1,0,0,0|2,0,0]=4 173 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [1,0,1,0,0,0|2,0,0]=4 174 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [1,0,1,0,0,0|1,1,0]=4 175 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [1,0,1,0,0,0|1,0,0]=3 176 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [1,0,1,0,0,0|1,0,1]=4 177 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [1,0,1,0,0,0|0,1,1]=4 178 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [1,0,1,0,0,0|1,0,0]=3 179 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [1,0,1,0,0,0|0,0,0]=2 180 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [1,0,1,0,0,0|2,0,0]=4 181 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [1,0,1,0,0,0|2,0,0]=4 182 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,0,1,0,0,0|2,0,0]=4 183 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [1,0,1,0,0,0|1,0,0]=3 184 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,0,1,0,0,0|2,0,0]=4 185 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,0,1,0,0,0|1,0,0]=3 186 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,0,1,0,0,0|2,0,0]=4 187 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,0,1,0,0,0|1,0,0]=3 188 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,0,1,0,0,0|1,0,0]=3 189 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,0,1,0,0,0|1,0,0]=3 190 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,0,1,0,0,0|0,1,1]=4 191 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,0,1,0,0,0|1,0,0]=3 192 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,0,1,0,0,0|1,0,0]=3 193 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,0,1,0,0,0|0,0,0]=2 194 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [1,0,1,0,0,0|2,0,0]=4 195 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,0,1,0,0,0|1,0,0]=3 196 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,0,1,0,0,0|1,0,0]=3 197 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [1,0,1,0,0,0|2,0,0]=4 198 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [1,0,1,0,0,0|2,0,0]=4 201 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,0,1,0,0,0|2,0,0]=4 202 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [1,0,1,0,0,0|2,0,0]=4 203 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [1,0,1,0,0,0|2,0,0]=4 204 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,0,1,0,0,0|2,0,0]=4 205 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [1,0,1,0,0,0|2,0,0]=4 206 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,0,1,0,0,0|1,0,1]=4 207 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,1,0,0,0|1,0,1]=4 208 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,1,0,0,0|2,0,0]=4 209 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,1,0,0,0|1,0,0]=3 210 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,1,0,0,0|2,0,0]=4 211 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,1,0,0,0|2,0,0]=4 212 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,1,0,0,0|1,1,0]=4 215 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,0,1,0,0,0|1,0,1]=4 216 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,1,0,0,0|0,1,1]=4 217 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,1,0,0,0|1,0,0]=3 218 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,1,0,0,0|0,0,0]=2 219 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,1,0,0,0|2,0,0]=4 220 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,1,0,0,0|2,0,0]=4 221 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [1,0,1,0,0,0|2,0,0]=4 222 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [1,0,1,0,0,0|1,0,0]=3 223 B8R0.2 CC(C)N(C)C(C)CO b60439f996f8f5ff3d91e698655098f7 [0,1,1,0,0,0|1,1,0]=4 224 B8R0.2 CC(C)N(C)[C@@H](C)CO 25d3e04c31fbd67c8f535923ba80d8e3 [0,1,1,0,0,0|1,1,0]=4 225 B8R0.2 CC(C)N(C)[C@H](C)CO 862d0a8f59766771f7aab35aa32d54b0 [0,1,1,0,0,0|1,1,0]=4 226 B8R0.2 CCC(C)N(C)C(C)C 5cfcc2695d4d86b7b3e42635fc9a7caa [0,1,1,0,0,0|2,0,0]=4 227 B8R0.5 C#CCC(C)OC(C)C afbbe4bf479830c6b3a3b7622166a000 [0,1,1,0,0,0|1,0,0]=3 228 B8R0.5 C/C=C/C(C)OC(C)C 3fc3b71e5112498c32ab71ebfb48689d [0,1,1,0,0,0|1,0,1]=4 229 B8R0.5 C=CCC(C)OC(C)C 45825ae26f455c78095404e7f4d38fa0 [0,1,1,0,0,0|1,0,0]=3 230 B8R0.5 C=CC[C@@H](C)OC(C)C d81df3e229a2355212eeaf2dac2b4426 [0,1,1,0,0,0|1,0,0]=3 231 B8R0.5 C=CC[C@H](C)OC(C)C 2ebaf3f133b5c58d9bd9bf758c41b800 [0,1,1,0,0,0|1,0,0]=3 232 B8R0.5 CC#CC(C)OC(C)C 94397d01688681f18db142a62275d18c [0,1,1,0,0,0|1,0,1]=4 233 B8R0.5 CC(C)CC(C)NCF 2947eae3bc5a2ca3b413e712dc2d17ba [0,1,1,0,0,0|2,0,0]=4 234 B8R0.5 CC(C)CC(C)NCO fda8b77345a43971581a5fdf198496ed [0,1,1,0,0,0|1,1,0]=4 235 B8R0.5 CC(C)CC(C)OCF df3d77bcb70b379ba02111d4ab191925 [0,1,1,0,0,0|2,0,0]=4 236 B8R0.5 CC(C)CN(C)CCS 0b3ba8d7f9060567fc9ae93ef8f9a73d [0,1,1,0,0,0|2,0,0]=4 237 B8R0.5 CC(C)C[C@@H](C)OCF f59d7cb8778da0cafb571f6f713e384e [0,1,1,0,0,0|2,0,0]=4 238 B8R0.5 CC(C)C[C@H](C)OCF 2266bd706cca147fe8369e224957217a [0,1,1,0,0,0|2,0,0]=4 239 B8R0.5 CC(C)NC(C)CC#N 9aa6718f11f51184dc95e7131790f60c [0,1,1,0,0,0|2,0,0]=4 240 B8R0.5 CC(C)NC(C)CCO 9e72e2294640a5a5bdd47c8c15fa6ebc [0,1,1,0,0,0|1,1,0]=4 241 B8R0.5 CC(C)N[C@@H](C)CCO f00801b59b355a8660dff24ba4f60f20 [0,1,1,0,0,0|1,1,0]=4 242 B8R0.5 CC(C)N[C@H](C)CCO 17f4d157c114d55502ca3004b5471931 [0,1,1,0,0,0|1,1,0]=4 243 B8R0.5 CC(C)OC(C)CC#N c9ef763e5a09e3ed3df0571f62e6ec78 [0,1,1,0,0,0|1,0,0]=3 244 B8R0.5 CC(C)O[C@@H](C)CC#N f8cf9d498e19656d68bd3d2c30607228 [0,1,1,0,0,0|1,0,0]=3 245 B8R0.5 CC(C)O[C@H](C)CC#N 3e54a0d621de3dc498eb64990dd193a9 [0,1,1,0,0,0|1,0,0]=3 246 B8R0.5 CC(O)CC(C)NCF 1a954ad92b2cd85f7c1e8eb7cc709982 [0,1,1,0,0,0|2,0,0]=4 247 B8R0.5 CC(O)CC(C)NCO a3e3cf347616fa2466ad965e211d77eb [0,1,1,0,0,0|2,0,0]=4 248 B8R0.5 CC(O)CN(C)CCF d208e2a32e1219be6f4dc40c04cbf782 [0,1,1,0,0,0|2,0,0]=4 249 B8R0.5 CC(O)CN(C)CCO b8c93809fd363b893059df214df9a71f [0,1,1,0,0,0|2,0,0]=4 250 B8R0.5 CC(O)CN(C)CCS e7d6706e63901057284fa2788897ed93 [0,1,1,0,0,0|2,0,0]=4 251 B8R0.5 CC=CC(C)OC(C)C 4d526ed4c4791e35f130177176885572 [0,1,1,0,0,0|1,0,1]=4 252 B8R0.5 CCCC(C)NC(C)C f8bb5c8de6d4ec16bb81d8451bfb16da [0,1,1,0,0,0|2,0,0]=4 253 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [0,1,1,0,0,0|1,0,0]=3 254 B8R0.5 CCCN(C)CC(C)O ba71d19aa94a205bc2a8e63dac164472 [0,1,1,0,0,0|2,0,0]=4 255 B8R0.5 CCCN(C)C[C@@H](C)O e21d8a4c9925e7ebdd999960638ddfd2 [0,1,1,0,0,0|2,0,0]=4 256 B8R0.5 CCCN(C)C[C@H](C)O 8866f4aefe80bbaf9ef0e79e608206ab [0,1,1,0,0,0|2,0,0]=4 257 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [0,1,1,0,0,0|1,0,0]=3 258 B8R0.5 CCC[C@H](C)NC(C)C f5cc882f68b964118786668968029765 [0,1,1,0,0,0|2,0,0]=4 259 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [0,1,1,0,0,0|1,0,0]=3 260 B8R0.5 CCNC(C)CC(C)C 865caec34869d14200fe8a23ded15c61 [0,1,1,0,0,0|2,0,0]=4 261 B8R0.5 CCNC(C)CC(C)O 43b202ae8ff1647314607d5a8e6eab62 [0,1,1,0,0,0|1,0,0]=3 262 B8R0.5 CCOC(C)CC(C)C 30e2f8e558cfdda4b507d2297dd2dc70 [0,1,1,0,0,0|2,0,0]=4 263 B8R0.5 CCO[C@@H](C)CC(C)C 1e2bdc5c56411fd3cd17ac1c2858063c [0,1,1,0,0,0|2,0,0]=4 264 B8R0.5 CCO[C@H](C)CC(C)C 914881db7ee4a9dab17d292ad412afd8 [0,1,1,0,0,0|2,0,0]=4 265 B8R0.5 COCC(C)NC(C)C f325acefc3a4b4e0a2584e9b15f5748d [0,1,1,0,0,0|1,1,0]=4 266 B8R0.5 COCC(C)OC(C)C 42224fedc69e8b9186e7b6a47072d544 [0,1,1,0,0,0|0,1,0]=3 267 B8R0.5 COCN(C)CC(C)O 236ef8cf66ea95220e886cd11f898eee [0,1,1,0,0,0|2,0,0]=4 268 B8R0.5 COCN(C)C[C@H](C)O d0cec2a0e9e49d3fd200a1f1b3460073 [0,1,1,0,0,0|2,0,0]=4 269 B8R0.5 COC[C@@H](C)NC(C)C 77969946784bfff00792344cde0e266f [0,1,1,0,0,0|1,1,0]=4 270 B8R0.5 COC[C@@H](C)OC(C)C 55e39c13b20d1d01aae9f00d8a695fef [0,1,1,0,0,0|0,1,0]=3 271 B8R0.5 COC[C@H](C)NC(C)C bc3fa56fdda5cf62da7a7ae0ce122b0a [0,1,1,0,0,0|1,1,0]=4 272 B8R0.5 COC[C@H](C)OC(C)C 937e8d4809322b8fa6634d0115399612 [0,1,1,0,0,0|0,1,0]=3 273 B8R0.5 CSCC(C)OC(C)C f21107a5d5a62c97312908cbb5e0f355 [0,1,1,0,0,0|0,0,0]=2 274 B8R0.5 CSCN(C)CC(C)C b4880058f7b62851863b99827752cd7e [0,1,1,0,0,0|2,0,0]=4 275 B8R0.5 CSCN(C)CC(C)O 19b09d20f60ba10a7233c42a0094d940 [0,1,1,0,0,0|2,0,0]=4 276 B8R0.5 CSCN(C)C[C@H](C)O a1cd0a54d282bd0dcdd24b2e9143dd2d [0,1,1,0,0,0|2,0,0]=4 277 B8R0.5 C[C@@H](O)CN(C)CCF 126ff326a556bc086395534b8f58a986 [0,1,1,0,0,0|2,0,0]=4 278 B8R0.5 C[C@@H](O)CN(C)CCO b2075f300e9096bf9f56060a06fe5fff [0,1,1,0,0,0|2,0,0]=4 279 B8R0.5 C[C@H](O)CN(C)CCF 0035923f0b284ef55440b2a2ec1d53f8 [0,1,1,0,0,0|2,0,0]=4 280 B8R0.5 C[C@H](O)CN(C)CCO 3ac89c90dc792061538bdb13c697b5b7 [0,1,1,0,0,0|2,0,0]=4 281 B8R0.5 C[C@H](O)CN(C)CCS 4eb7ed53de9d466688e0eafcb5798f80 [0,1,1,0,0,0|2,0,0]=4 282 B8R0.16 C#CC(CC)OC(C)C fafefd8139325c645cb6f4f774c8e195 [0,1,1,0,0,0|1,0,1]=4 283 B8R0.16 C=CC(CC)OC(C)C 54a2ef8638860ea6d3922727d18450c8 [0,1,1,0,0,0|1,0,1]=4 284 B8R0.16 CC(C)NC(CO)CO dd32b73b95b23c77e6b7f7195c5cfbed [0,1,1,0,0,0|1,1,0]=4 285 B8R0.16 CC(C)OC(CBr)CBr a736619378894b2cf0135679f294c6d7 [0,1,1,0,0,0|1,0,0]=3 286 B8R0.16 CC(C)OC(CCl)CBr 91fbdd20269cf7ce50dff9a7a24f95e9 [0,1,1,0,0,0|1,0,0]=3 287 B8R0.16 CC(C)OC(CCl)CCl 969ec29937edf09fee85b8a298c9343f [0,1,1,0,0,0|1,0,0]=3 288 B8R0.16 CC(C)OC(CF)CF 98c9cd08092d825b50e5bb51e632fdcc [0,1,1,0,0,0|1,0,0]=3 289 B8R0.16 CC(C)OC(CO)CO 937cd6ebbf8ac7b55a2e944216a1a49b [0,1,1,0,0,0|0,1,0]=3 290 B8R0.16 CC(C)O[C@@H](CCl)CI 4e0a70d4275a5ba18f9fed2e079f6161 [0,1,1,0,0,0|1,0,0]=3 291 B8R0.16 CC(C)O[C@H](CCl)CI e37e37b9f09100cc5502309a31469db3 [0,1,1,0,0,0|1,0,0]=3 292 B8R0.16 CCC(C#N)OC(C)C d5d3070054c18a661e03431a5e7ee891 [0,1,1,0,0,0|1,0,1]=4 293 B8R0.16 CCC(C=O)OC(C)C 64971e54da0bc5dd8c61368ff4482427 [0,1,1,0,0,0|0,1,1]=4 294 B8R0.16 CCC(CC)NC(C)C 8e569a16a5a022835444ad9b9b666832 [0,1,1,0,0,0|2,0,0]=4 295 B8R0.16 CCC(CC)OC(C)C 0d36ea4bc357375b974f87de9390eb5f [0,1,1,0,0,0|1,0,0]=3 296 B8R0.16 CCC(CO)NC(C)C 6d2b06241841be179656caac4c009868 [0,1,1,0,0,0|1,1,0]=4 297 B8R0.16 CCN(C=O)CC(C)O 2437be87a2e81f295f09928becec40c6 [0,1,1,0,0,0|1,1,0]=4 298 B8R0.16 CCN(C=O)C[C@H](C)O 1f7ddfd4388d4f78b5345d6a6e9121a1 [0,1,1,0,0,0|1,1,0]=4 299 B8R0.16 CCN(CC)CC(C)O d8bc58b8f382f5371f0e94bb242901d6 [0,1,1,0,0,0|2,0,0]=4 300 B8R0.16 CCN(CC)C[C@H](C)O e8ae75fa00192b49e2affddcedaf538e [0,1,1,0,0,0|2,0,0]=4 301 B8R0.16 CCN(CF)CC(C)O b42e3cb8d43d72a360d85cc8de4205f1 [0,1,1,0,0,0|2,0,0]=4 302 B8R0.16 CCN(CF)C[C@H](C)O c4e347000f8a76e4029d2cbec68d72c2 [0,1,1,0,0,0|2,0,0]=4 303 B8R0.16 CCN(CO)CC(C)O 0648cddbdd177d68fe137b4e015914f3 [0,1,1,0,0,0|1,1,0]=4 304 B8R0.16 CCN(CO)C[C@H](C)O e524c4415f69604a18e716f7cb9197fa [0,1,1,0,0,0|1,1,0]=4 305 B8R0.16 CC[C@@H](CO)NC(C)C 13f186e709769d2121c3d0296f257911 [0,1,1,0,0,0|1,1,0]=4 306 B8R0.16 CC[C@H](CO)NC(C)C b6223ac7c8fb08c8210a0aedb029ff0d [0,1,1,0,0,0|1,1,0]=4 307 B8R0.19 C#CC(C)OC(C)CC b9bef986cc9d8c659004d98675a4d1f5 [0,1,1,0,0,0|1,0,1]=4 308 B8R0.19 C#CC(C)OC(C)CF 5b8a253165b05b0b03cbe60b9882a5f8 [0,1,1,0,0,0|1,0,1]=4 309 B8R0.19 C#CC(C)OC(C)CS 542efe1266eda5684e7db9261f2f583e [0,1,1,0,0,0|0,0,1]=3 310 B8R0.19 C#CC(C)O[C@@H](C)CC 3b2e6544dbdc017fbd8f867e6cb799c3 [0,1,1,0,0,0|1,0,1]=4 311 B8R0.19 C#CC(C)O[C@H](C)CC ad0a8672b19ce051cb51ddf07f41953f [0,1,1,0,0,0|1,0,1]=4 312 B8R0.19 C#CC(C)O[C@H](C)CS a6fae06eaa15e509278939184a3cb413 [0,1,1,0,0,0|0,0,1]=3 313 B8R0.19 C#C[C@@H](C)OC(C)CC ed011b380984111e68bb7c50f29ab85d [0,1,1,0,0,0|1,0,1]=4 314 B8R0.19 C#C[C@H](C)OC(C)CC c0ae8827e39795e766edc66cb4bebf31 [0,1,1,0,0,0|1,0,1]=4 315 B8R0.19 C=CC(C)OC(C)CC bc030ee1d54310e4e42e3ca28b627322 [0,1,1,0,0,0|1,0,1]=4 316 B8R0.19 C=CC(C)OC(C)CF 80a71e0ab2b4abfb59a24e3df79a0f69 [0,1,1,0,0,0|1,0,1]=4 317 B8R0.19 C=CC(C)OC(C)CS 2cc450a10d759d671dcc3fb3c455e286 [0,1,1,0,0,0|0,0,1]=3 318 B8R0.19 C=CC(C)O[C@@H](C)CC 3c69a31efdac74917d5815feffec4931 [0,1,1,0,0,0|1,0,1]=4 319 B8R0.19 C=CC(C)O[C@H](C)CC 23874840195e0ea82a3608089cd552e1 [0,1,1,0,0,0|1,0,1]=4 320 B8R0.19 C=CC(C)O[C@H](C)CS 30e7db33263b822e66e2cdbb0d7f9f01 [0,1,1,0,0,0|0,0,1]=3 321 B8R0.19 C=C[C@H](C)OC(C)CC 8317ad39d31f9c390bbb41cff204bc88 [0,1,1,0,0,0|1,0,1]=4 322 B8R0.19 CC(C#N)OC(C)CF eb7583e0021d19d22e6bd6828c452ee4 [0,1,1,0,0,0|1,0,1]=4 323 B8R0.19 CC(C=O)OC(C)CF dd1260e813ad128cb1339d09b832705a [0,1,1,0,0,0|0,1,1]=4 324 B8R0.19 CC(C=O)OC(C)CS 773a75b997229db7d6efcc42b9c60d2d [0,1,1,0,0,0|0,0,1]=3 325 B8R0.19 CC(C=O)O[C@H](C)CS db7e1cf4f367eba88f034becbe252a6b [0,1,1,0,0,0|0,0,1]=3 326 B8R0.19 CC(CF)O[C@H](C)C=O dff28bb67fd8d3181563ff4952bada48 [0,1,1,0,0,0|0,1,1]=4 327 B8R0.19 CC(CO)NC(C)CO a797e2683d0d8b0723f461d57dc15931 [0,1,1,0,0,0|1,1,0]=4 328 B8R0.19 CC(CO)N[C@@H](C)CO 437bc2abee5a28d7e18b65b84a1a202f [0,1,1,0,0,0|1,1,0]=4 329 B8R0.19 CC(CO)N[C@H](C)CO 20cc874b2ccebbeb27007a523d899b24 [0,1,1,0,0,0|1,1,0]=4 330 B8R0.19 CC(CS)O[C@H](C)C=O 318a2971080d0243ebb32baf94adf9fb [0,1,1,0,0,0|0,0,1]=3 331 B8R0.19 CCC(C)NC(C)CC 876c9dcdc0f8168933f9842ebfb49dcc [0,1,1,0,0,0|2,0,0]=4 332 B8R0.19 CCC(C)NC(C)CO 39c372ea4cef1456332b0e4a891f2be4 [0,1,1,0,0,0|1,1,0]=4 333 B8R0.19 CCC(C)N[C@@H](C)CC 07e48a2963d6dfeaa91702f20bef1cab [0,1,1,0,0,0|2,0,0]=4 334 B8R0.19 CCC(C)N[C@@H](C)CO 03a0460ae5de8db8276fc6c4f3d9cea4 [0,1,1,0,0,0|1,1,0]=4 335 B8R0.19 CCC(C)N[C@H](C)CC a2f8af3677e9bd218ed8125518b8e1d7 [0,1,1,0,0,0|2,0,0]=4 336 B8R0.19 CCC(C)N[C@H](C)CO 9839a5c86ff60244cdc275d1b4d9331f [0,1,1,0,0,0|1,1,0]=4 337 B8R0.19 CCC(C)OC(C)C#N c4b4dc8a9fc96e21a7c29a5151bcab8c [0,1,1,0,0,0|1,0,1]=4 338 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,1,1,0,0,0|0,1,1]=4 339 B8R0.19 CCC(C)OC(C)CC 3470543b91d3e4ca0bc1a393ace3b2b7 [0,1,1,0,0,0|1,0,0]=3 340 B8R0.19 CCC(C)OC(C)CF 49125939c81cefb4adc19d8dfa0139ae [0,1,1,0,0,0|1,0,0]=3 341 B8R0.19 CCC(C)OC(C)CS 3de39661c837590ac35f0513edf5ff4f [0,1,1,0,0,0|0,0,0]=2 342 B8R0.19 CCC(C)O[C@@H](C)CC 5b5f6724583f0bba5fdaf3b11471f3c4 [0,1,1,0,0,0|1,0,0]=3 343 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,1,1,0,0,0|0,1,1]=4 344 B8R0.19 CCC(C)O[C@H](C)CC 0baa98fec5db8845d4182fe89ad327a5 [0,1,1,0,0,0|1,0,0]=3 345 B8R0.19 CCC(C)O[C@H](C)CS d30039869670687a3f43f613444a1033 [0,1,1,0,0,0|0,0,0]=2 346 B8R0.19 CCC(O)CN(C)CC 05ba2ce1cbf52722b11091eb58aa8124 [0,1,1,0,0,0|2,0,0]=4 347 B8R0.19 CCC(O)CN(C)CO 54fe76ed8fcd6451ff39e55c2b1e0de7 [0,1,1,0,0,0|1,1,0]=4 348 B8R0.19 CCN(C)CC(C)CO 57aed0ddb41a49ac36f9f8539801655e [0,1,1,0,0,0|2,0,0]=4 349 B8R0.19 CCN(C)CC(C)OC 377b6e41a65d04757b988ceba2b54f82 [0,1,1,0,0,0|2,0,0]=4 350 B8R0.19 CCN(C)CC(O)CF 9b5f95856fc2428b6d2e975cfa34b30b [0,1,1,0,0,0|2,0,0]=4 351 B8R0.19 CCN(C)CC(O)CO 1d1312ada3c341da8de27cc3789abca2 [0,1,1,0,0,0|2,0,0]=4 352 B8R0.19 CCN(C)C[C@@H](C)CO ddade9d6e3ba337d6b393a00c773647d [0,1,1,0,0,0|2,0,0]=4 353 B8R0.19 CCN(C)C[C@@H](C)OC 423ec57342e946c8b4839b0ec5409baa [0,1,1,0,0,0|2,0,0]=4 354 B8R0.19 CCN(C)C[C@@H](O)CO e64e4131d671816539b2429b245cd316 [0,1,1,0,0,0|2,0,0]=4 355 B8R0.19 CCN(C)C[C@H](C)CO 0a9476f9cc602f73744eac4366c36b7c [0,1,1,0,0,0|2,0,0]=4 356 B8R0.19 CCN(C)C[C@H](C)OC fbb444e22eeeab9bc96df09d063788d3 [0,1,1,0,0,0|2,0,0]=4 357 B8R0.19 CCN(C)C[C@H](O)CO f45fa40fd7de9da18f9df806f59986f2 [0,1,1,0,0,0|2,0,0]=4 358 B8R0.19 CC[C@@H](C)NC(C)CO 18ed6fc25b8c14c4191fbfb8a29f3353 [0,1,1,0,0,0|1,1,0]=4 359 B8R0.19 CC[C@@H](C)N[C@@H](C)CO 007782dc3ac7f491d3f6b8d8f3339b58 [0,1,1,0,0,0|1,1,0]=4 360 B8R0.19 CC[C@@H](C)N[C@H](C)CO b5aae793b89cbba911f055e04d55acb2 [0,1,1,0,0,0|1,1,0]=4 361 B8R0.19 CC[C@@H](C)OC(C)C#N cba4c225d0d58694636de5a14ca61f8b [0,1,1,0,0,0|1,0,1]=4 362 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,1,1,0,0,0|0,1,1]=4 363 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,1,1,0,0,0|0,1,1]=4 364 B8R0.19 CC[C@H](C)NC(C)CO 3726c8f35150bd5080044acffa8a570c [0,1,1,0,0,0|1,1,0]=4 365 B8R0.19 CC[C@H](C)N[C@@H](C)CO 762e9a16ea4b3bc73b0f3048e55d1b5d [0,1,1,0,0,0|1,1,0]=4 366 B8R0.19 CC[C@H](C)N[C@H](C)CO 3fb6e84edfa80d94f40bae64bba9a957 [0,1,1,0,0,0|1,1,0]=4 367 B8R0.19 CC[C@H](C)OC(C)C#N 8ed7e666a29ed266578fa97cdedc6e8c [0,1,1,0,0,0|1,0,1]=4 368 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,1,1,0,0,0|0,1,1]=4 369 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,1,1,0,0,0|0,1,1]=4 370 B8R0.19 C[C@@H](CO)N[C@@H](C)CO 5675e96daa4862935422ad260e619d0c [0,1,1,0,0,0|1,1,0]=4 371 B8R0.19 C[C@H](C=O)O[C@H](C)CS af72370034f51011307ce75fb53579bd [0,1,1,0,0,0|0,0,1]=3 372 B8R0.19 C[C@H](CO)N[C@@H](C)CO 1ed3347a7be08a59515553d205dc80cf [0,1,1,0,0,0|1,1,0]=4 373 B8R0.19 C[C@H](CO)N[C@H](C)CO abfb150be98f4f9d5d1d2b00478e462d [0,1,1,0,0,0|1,1,0]=4 374 B8R0.23 CC(=O)C(C)OC(C)C 2d86abe06727762a40b9ab2fefeb12d2 [0,1,1,0,0,0|0,1,1]=4 375 B8R0.23 CC(C)N(C)C[C@@H](C)O edda2e38f0c2b068751a472716b6316d [0,1,1,0,0,0|2,0,0]=4 376 B8R0.23 CC(C)N(C)C[C@H](C)O 6c78ca3105da9d74005d52bf31383b62 [0,1,1,0,0,0|2,0,0]=4 377 B8R0.23 CC(C)NC(C)C(C)C fa991c1dc0945b7acb983b75408f7a46 [0,1,1,0,0,0|2,0,0]=4 378 B8R0.23 CC(C)NC(C)C(C)O 01387dcbac0883ebe4aacdad9c9a44bc [0,1,1,0,0,0|1,1,0]=4 379 B8R0.23 CC(C)N[C@@H](C)C(C)C a6de3f912a6cce2ee6718acd406a9037 [0,1,1,0,0,0|2,0,0]=4 380 B8R0.23 CC(C)N[C@@H](C)C(F)F 09497d63c42300f4d96a3593a3f4e28b [0,1,1,0,0,0|2,0,0]=4 381 B8R0.23 CC(C)N[C@H](C)C(C)C 6e0218adcec204e905784158905a9384 [0,1,1,0,0,0|2,0,0]=4 382 B8R0.23 CC(C)N[C@H](C)C(F)F 4bc13adc2c01133fc0f83fc7584dc02c [0,1,1,0,0,0|2,0,0]=4 383 B8R0.23 CC(C)OC(C)C(=O)N 3cee39f49921ab19917bac674ad05970 [0,1,1,0,0,0|0,1,1]=4 384 B8R0.23 CC(C)OC(C)C(=O)O 0a58b34c739ceb5a5963c9b3548f472a [0,1,1,0,0,0|0,1,1]=4 385 B8R0.23 CC(C)OC(C)C(C)C f910c97d1e3fc31ceadbec63396d96d4 [0,1,1,0,0,0|1,0,0]=3 386 B8R0.23 CC(C)OC(C)C(C)S c5a4043ec4c85dd966d520e3bdc0abba [0,1,1,0,0,0|0,0,0]=2 387 B8R0.23 CC(C)OC(C)C(F)F 946cfc8bc4849ff3db2d8039ebab74f4 [0,1,1,0,0,0|1,0,0]=3 388 B8R0.23 CC(C)O[C@@H](C)C(=O)N 57a65b88062516ea8512ca985e4b20b1 [0,1,1,0,0,0|0,1,1]=4 389 B8R0.23 CC(C)O[C@@H](C)C(=O)O 3e6aa85ab276fb2f3b41c452e067b375 [0,1,1,0,0,0|0,1,1]=4 390 B8R0.23 CC(C)O[C@@H](C)C(C)C 444255d792edbc9dc89a2ace48652e7b [0,1,1,0,0,0|1,0,0]=3 391 B8R0.23 CC(C)O[C@H](C)C(=O)N 15e236e43a73c1d83142b60899c44aff [0,1,1,0,0,0|0,1,1]=4 392 B8R0.23 CC(C)O[C@H](C)C(=O)O 3c1a1d8dc45ffece35d6cbe571959a73 [0,1,1,0,0,0|0,1,1]=4 393 B8R0.23 CC(C)O[C@H](C)C(C)C ee15d6361bb13960f2a62772caaee08e [0,1,1,0,0,0|1,0,0]=3 394 B8R0.23 CC(O)CN(C)C(C)C 95a92a6cab6529312851036d37141b0c [0,1,1,0,0,0|2,0,0]=4 395 B8R0.24 CC(CO)NC(C)(C)C 11f9cd87e7e88779d0448afb38346b3b [0,1,1,0,0,0|1,1,0]=4 396 B8R0.24 CCC(C)NC(C)(C)C 9130a28867ae8af859d638502ee1fe58 [0,1,1,0,0,0|2,0,0]=4 397 B8R0.24 CCN(C)CC(C)(C)O 3a82767057043d9df3fecda73f227fdf [0,1,1,0,0,0|2,0,0]=4 398 B8R0.24 C[C@@H](CO)NC(C)(C)C d141aaf7a6b2a27fe74c0077e47372d6 [0,1,1,0,0,0|1,1,0]=4 399 B8R0.24 C[C@H](CO)NC(C)(C)C 3d362a32d372c4ca0a319e4e204feae6 [0,1,1,0,0,0|1,1,0]=4 400 B8R0.34 CC(C)NC(C)(C)CF 97ce621ca4ea2c1e508e146ffbb20217 [0,1,1,0,0,0|2,0,0]=4 401 B8R0.34 CC(C)NC(C)(C)CO 2cd04f210ad1294c88e31fc866235976 [0,1,1,0,0,0|1,1,0]=4 402 B8R0.34 CCC(C)(C)NC(C)C bf8717aff18d75f51ab336d0c7ed7326 [0,1,1,0,0,0|2,0,0]=4 403 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7174985858b6754d29082e0523030593 [0,1,1,0,0,0|1,0,0]=3 404 B8R0.3 C=C[C@@H](C)[C@@H](C)OCF 320b871b90b1c6d7a8787c064ee27dad [0,1,1,0,0,0|2,0,0]=4 405 B8R0.3 C=C[C@@H](C)[C@H](C)OCC 1539f179cedf60643533cb2e64df525b [0,1,1,0,0,0|1,0,0]=3 406 B8R0.3 C=C[C@@H](C)[C@H](C)OCF 11edcfbd0cfd8e4b244efb2293fea096 [0,1,1,0,0,0|2,0,0]=4 407 B8R0.3 C=C[C@H](C)[C@@H](C)OCC d464e2ddb3652873a2501204a8efab8b [0,1,1,0,0,0|1,0,0]=3 408 B8R0.3 C=C[C@H](C)[C@@H](C)OCF 555ee22c25d28a7f3906408dffd4a54b [0,1,1,0,0,0|2,0,0]=4 409 B8R0.3 C=C[C@H](C)[C@H](C)OCC 0a872f2d6d98f6438e7af34bb761da4a [0,1,1,0,0,0|1,0,0]=3 410 B8R0.3 C=C[C@H](C)[C@H](C)OCF 8aa41afefc83e43b6fae7a503395bafa [0,1,1,0,0,0|2,0,0]=4 411 B8R0.3 CCC(C)C(C)OCF 30627d9b103d83cf836466428f65b8c3 [0,1,1,0,0,0|2,0,0]=4 412 B8R0.3 CCCN(C)C(C)CO 8beda8059033dea1a0c2a56f23876ffd [0,1,1,0,0,0|2,0,0]=4 413 B8R0.3 CCCN(C)[C@@H](C)CO ea309c3d5effa1e0573b19703dee4a64 [0,1,1,0,0,0|2,0,0]=4 414 B8R0.3 CCCN(C)[C@H](C)CO db553edf061f0eb78c1b59d7ccaebc82 [0,1,1,0,0,0|2,0,0]=4 415 B8R0.3 CCNC(C)C(C)CC 9ef4d65391d7628df65d08a9e996100f [0,1,1,0,0,0|2,0,0]=4 416 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,1,1,0,0,0|0,1,1]=4 417 B8R0.3 CCOC(C)C(C)CC bb6404bf405bb18f7200bca5bcafe98a [0,1,1,0,0,0|1,0,0]=3 418 B8R0.3 CCOC(C)C(C)OC 9c4f80364c61bd6b6d6dccb09e64f357 [0,1,1,0,0,0|0,1,0]=3 419 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,1,1,0,0,0|0,1,1]=4 420 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,1,1,0,0,0|0,1,1]=4 421 B8R0.3 COC(C)C(C)OCF 9d0e23209b95532a7256c20203a8f5b2 [0,1,1,0,0,0|1,1,0]=4 422 B8R0.8 C#CCOC(C)C(C)C 322301fceb00c0aeabebc9620cf56bcd [0,1,1,0,0,0|1,0,1]=4 423 B8R0.8 C#CCOC(C)C(C)S 907b7378c6583cb1df5aebddcbd6efb5 [0,1,1,0,0,0|0,0,1]=3 424 B8R0.8 C#CCO[C@@H](C)C(C)C cf9d1c64e8d673c98adb0fb737b85f1d [0,1,1,0,0,0|1,0,1]=4 425 B8R0.8 C#CCO[C@H](C)C(C)C e90fe6c55cbfed018a1b6c9ac8adf2f8 [0,1,1,0,0,0|1,0,1]=4 426 B8R0.8 C=CCOC(C)C(C)C df599d8f0a3e3227a2f32e12d329969e [0,1,1,0,0,0|1,0,1]=4 427 B8R0.8 C=CCOC(C)C(C)S 751a6cfbcd5012c9be009f27fc1808ca [0,1,1,0,0,0|0,0,1]=3 428 B8R0.8 C=CCO[C@@H](C)C(C)C 7dd431dc0ac33224bf589664a60f33d6 [0,1,1,0,0,0|1,0,1]=4 429 B8R0.8 C=CCO[C@H](C)C(C)C 92f8c5c268803a32ca406f92c9c094af [0,1,1,0,0,0|1,0,1]=4 430 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,1,1,0,0,0|0,1,1]=4 431 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,1,1,0,0,0|0,1,1]=4 432 B8R0.8 CC(C)C(C)COCF 2541c57b93fd6c072ddc95460a0a66bf [0,1,1,0,0,0|2,0,0]=4 433 B8R0.8 CC(C)C(C)NCCBr eb08a6f23b04d7963282ada64fd60fc9 [0,1,1,0,0,0|2,0,0]=4 434 B8R0.8 CC(C)C(C)NCCF 0c619b966fcb93f87e84f637101a239a [0,1,1,0,0,0|2,0,0]=4 435 B8R0.8 CC(C)C(C)NCCI ec22e706582c512896d748c8ff0eb9fd [0,1,1,0,0,0|2,0,0]=4 436 B8R0.8 CC(C)C(C)NCCO 1619d105daf7c51230c4b6257a710c36 [0,1,1,0,0,0|2,0,0]=4 437 B8R0.8 CC(C)C(C)NCCS 4357d99eb054f24fdc6923cbebed884d [0,1,1,0,0,0|2,0,0]=4 438 B8R0.8 CC(C)C(C)OCC#N 367b412b353728daea45e3f031612c59 [0,1,1,0,0,0|1,0,1]=4 439 B8R0.8 CC(C)C(C)OCC=O ce23aaf71e4025cbdc74369cbf39ec61 [0,1,1,0,0,0|1,0,1]=4 440 B8R0.8 CC(C)C(C)OCCF aef6329c2514e1f7d1f35c650ce41f30 [0,1,1,0,0,0|1,0,0]=3 441 B8R0.8 CC(C)C(C)OCCS fbc2dd63702c9f86e1d48d918357ddc9 [0,1,1,0,0,0|1,0,0]=3 442 B8R0.8 CC(C)[C@@H](C)NCCF ad763ed47489e5d06433dfca079785aa [0,1,1,0,0,0|2,0,0]=4 443 B8R0.8 CC(C)[C@@H](C)NCCO 93e06873f6ef60f625c37b13a6ebb5e9 [0,1,1,0,0,0|2,0,0]=4 444 B8R0.8 CC(C)[C@@H](C)NCCS 4283fb7c2456a2749935f5d5a24d75b7 [0,1,1,0,0,0|2,0,0]=4 445 B8R0.8 CC(C)[C@@H](C)OCC#N e431694a30e83e54098dba14383b2719 [0,1,1,0,0,0|1,0,1]=4 446 B8R0.8 CC(C)[C@@H](C)OCC=O 8cb7fc9ac2c6caf3bd0148655550849f [0,1,1,0,0,0|1,0,1]=4 447 B8R0.8 CC(C)[C@@H](C)OCCF b8b398f5963c29dec612780eaf598104 [0,1,1,0,0,0|1,0,0]=3 448 B8R0.8 CC(C)[C@@H](C)OCCS 2f03599c9706c072c081b87656bf78df [0,1,1,0,0,0|1,0,0]=3 449 B8R0.8 CC(C)[C@H](C)NCCF 63a7bfceec1a072dd33a9b71a5a0759b [0,1,1,0,0,0|2,0,0]=4 450 B8R0.8 CC(C)[C@H](C)NCCO 4837ecbe37600d9a357778ac43fef7f9 [0,1,1,0,0,0|2,0,0]=4 451 B8R0.8 CC(C)[C@H](C)NCCS 79a56a1f468737d2a742a14baed7afd7 [0,1,1,0,0,0|2,0,0]=4 452 B8R0.8 CC(C)[C@H](C)OCC#N 2b813a30c81274f803c10a9cca83ab39 [0,1,1,0,0,0|1,0,1]=4 453 B8R0.8 CC(C)[C@H](C)OCC=O 42c325ee3d5f7ae3be802a85dcd7d5a5 [0,1,1,0,0,0|1,0,1]=4 454 B8R0.8 CC(C)[C@H](C)OCCF 977ea77aa40f6bf381c111177dcefc23 [0,1,1,0,0,0|1,0,0]=3 455 B8R0.8 CC(C)[C@H](C)OCCS af428ac45dba53ed497056ececced485 [0,1,1,0,0,0|1,0,0]=3 456 B8R0.8 CC(O)C(C)NCCF 9cfe548625b157e19c5439799990e702 [0,1,1,0,0,0|1,1,0]=4 457 B8R0.8 CC(O)C(C)NCCO 469f70f9bc699e5eb472875791d52d81 [0,1,1,0,0,0|1,1,0]=4 458 B8R0.8 CC(O)C(C)NCCS e8cacdd9ca1fd87fea75773d8f3ca780 [0,1,1,0,0,0|1,1,0]=4 459 B8R0.8 CC(OCCF)C(F)F c234640fa9d43e6765e126e416f3e3fb [0,1,1,0,0,0|2,0,0]=4 460 B8R0.8 CC(OCCS)C(F)F c57612bf09030d3887a0c261944b0357 [0,1,1,0,0,0|2,0,0]=4 461 B8R0.8 CC(S)C(C)OCC#N 107f1d07c7a025df8484424d0ac54ef2 [0,1,1,0,0,0|0,0,1]=3 462 B8R0.8 CC(S)C(C)OCC=O be24c910a021f9f13deb5a032f14acad [0,1,1,0,0,0|0,0,1]=3 463 B8R0.8 CC(S)C(C)OCCF 1a82d33a967486f6dabbc2bf69391b14 [0,1,1,0,0,0|0,0,0]=2 464 B8R0.8 CC(S)C(C)OCCS 58740347ee0e8989e94812a71b532a6f [0,1,1,0,0,0|0,0,0]=2 465 B8R0.8 CCCNC(=O)C(C)O 1c4275cc840c120b08a43a51d620d9a2 [0,1,1,0,0,0|0,1,1]=4 466 B8R0.8 CCCNC(=O)[C@@H](C)O dd45fdcbcb7fa52143ea0a380ce96207 [0,1,1,0,0,0|0,1,1]=4 467 B8R0.8 CCCNC(=O)[C@H](C)O b394796d74a22374522cf1e72768ff60 [0,1,1,0,0,0|0,1,1]=4 468 B8R0.8 CCCNC(C)C(C)C 83fa3f7bca0f40e346b81c4ebe9a6195 [0,1,1,0,0,0|2,0,0]=4 469 B8R0.8 CCCNC(C)C(C)O d6d39af3e50c17151ef5fe5638b0cdf5 [0,1,1,0,0,0|1,0,0]=3 470 B8R0.8 CCCN[C@@H](C)C(C)C 5a80b176866eb6d633457f0bc9e03270 [0,1,1,0,0,0|2,0,0]=4 471 B8R0.8 CCCN[C@H](C)C(C)C 51af879c22cb35c22f0cd191096adc82 [0,1,1,0,0,0|2,0,0]=4 472 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,1,1,0,0,0|0,1,1]=4 473 B8R0.8 CCCOC(C)C(C)C 86f84b43e39046a302b7ae55be48399d [0,1,1,0,0,0|1,0,0]=3 474 B8R0.8 CCCOC(C)C(C)S 2259d80f2d369dc01415bcec83767bc2 [0,1,1,0,0,0|0,0,0]=2 475 B8R0.8 CCCOC(C)C(F)F 165e4dd3f64552172704afe9815da1fe [0,1,1,0,0,0|2,0,0]=4 476 B8R0.8 CCCO[C@@H](C)C(C)C 2f41c5c2bb860ee77833a11f23aa4350 [0,1,1,0,0,0|1,0,0]=3 477 B8R0.8 CCCO[C@H](C)C(C)C 90a86ce0fea165a8278a7b9623fa00c4 [0,1,1,0,0,0|1,0,0]=3 478 B8R0.8 CCNCC(O)C(C)C f8af42d48f65ab067207d55022c8343a [0,1,1,0,0,0|1,1,0]=4 479 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,1,1,0,0,0|0,1,1]=4 480 B8R0.8 CCOCC(C)C(C)C cc9eb3a68371ce091c3a8ee0b2e15210 [0,1,1,0,0,0|1,0,0]=3 481 B8R0.8 CCOCC(C)N(C)C 4cf9d1e108061eb0db86c5bbc2dadd81 [0,1,1,0,0,0|2,0,0]=4 482 B8R0.8 CCOC[C@@H](C)N(C)C 8ebcbc9e4042f7c7c8c24355d5f74677 [0,1,1,0,0,0|2,0,0]=4 483 B8R0.8 CCOC[C@H](C)N(C)C e984cb81fb175d841726dde504cbd605 [0,1,1,0,0,0|2,0,0]=4 484 B8R0.8 COCNC(C)C(C)C 80beb0ef586dcbb2fc0636113e052cf1 [0,1,1,0,0,0|2,0,0]=4 485 B8R0.8 COCNC(C)C(C)O d7e5822464b4c17df026f3154a34adc6 [0,1,1,0,0,0|1,1,0]=4 486 B8R0.8 COCN[C@@H](C)C(C)C f97999bc5d715d3dd982c539fe7c1a7a [0,1,1,0,0,0|2,0,0]=4 487 B8R0.8 COCN[C@H](C)C(C)C 05378f3b0c03c24f7be959ca535e8aba [0,1,1,0,0,0|2,0,0]=4 488 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,1,1,0,0,0|0,1,1]=4 489 B8R0.8 COCOC(C)C(C)C 21c22708868643f5c58d9c8d9e4d5112 [0,1,1,0,0,0|1,0,0]=3 490 B8R0.8 COCOC(C)C(C)S 07c83a99f164a6ba91e29c6a58d6c482 [0,1,1,0,0,0|0,0,0]=2 491 B8R0.8 COCOC(C)C(F)F 727d2538669320ea5516f8eb0a122c1c [0,1,1,0,0,0|2,0,0]=4 492 B8R0.8 COCO[C@@H](C)C(C)C 43cf5a88e304b0d0b2e116e908ba6767 [0,1,1,0,0,0|1,0,0]=3 493 B8R0.8 COCO[C@H](C)C(C)C 518108af54305583edbdcb71272e465c [0,1,1,0,0,0|1,0,0]=3 494 B8R0.8 CSCNC(C)C(C)C 51acb59e1f0fbf5f5b25df1165f572ec [0,1,1,0,0,0|2,0,0]=4 495 B8R0.8 CSCNC(C)C(C)O ef3911d562ab7b6e3e64e8a81fc52be6 [0,1,1,0,0,0|1,1,0]=4 496 B8R0.8 CSCN[C@@H](C)C(C)C 4ab9b679ebc9a80bf01bcaae89dc4661 [0,1,1,0,0,0|2,0,0]=4 497 B8R0.8 CSCN[C@H](C)C(C)C 2d29b2303be9f4b27e85050f3501c685 [0,1,1,0,0,0|2,0,0]=4 498 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,1,1,0,0,0|0,1,1]=4 499 B8R0.8 CSCOC(C)C(C)C d3d5c1c5fc376ef75120aa6a80e9e5e0 [0,1,1,0,0,0|1,0,0]=3 500 B8R0.8 CSCOC(C)C(C)S 1b3c066b1800ad8e63563bca2a55b140 [0,1,1,0,0,0|0,0,0]=2 501 B8R0.8 CSCOC(C)C(F)F 949f90cd0968956994add172503883ce [0,1,1,0,0,0|2,0,0]=4 502 B8R0.8 CSCO[C@@H](C)C(C)C 1f6c87538b58f348bd73f4584a70b0aa [0,1,1,0,0,0|1,0,0]=3 503 B8R0.8 CSCO[C@H](C)C(C)C e348fa0294055e95f739da0de03754bd [0,1,1,0,0,0|1,0,0]=3 504 B8R0.12 CCNC(C)(C)C(C)C 1b90590cdd2d006fd1300aafa0facb9c [0,1,1,0,0,0|2,0,0]=4 505 B8R0.12 CCNC(C)(C)C(C)O 22b397df5f25ad3f637025e1a5979f01 [0,1,1,0,0,0|1,1,0]=4 506 B8R0.14 CCNC(C)C(C)(C)C a395de719817a451126741a1a8b9089d [0,1,1,0,0,0|2,0,0]=4 507 B8R0.14 CCNC(C)C(C)(C)O c2b220c60842fefa41a65d95c0957306 [0,1,1,0,0,0|1,1,0]=4 508 B8R0.14 CCN[C@@H](C)C(C)(C)C 60b26636abd93febc2e508bb5b4ae081 [0,1,1,0,0,0|2,0,0]=4 509 B8R0.14 CCN[C@@H](C)C(C)(C)O 4cdfa28dee0510e65665c3d7949f63d0 [0,1,1,0,0,0|1,1,0]=4 510 B8R0.14 CCN[C@H](C)C(C)(C)C 83dbf732df99f79e7de5b923e43b9126 [0,1,1,0,0,0|2,0,0]=4 511 B8R0.14 CCN[C@H](C)C(C)(C)O 9dd976226d1cb1ad5fe6d4e6329a3f53 [0,1,1,0,0,0|1,1,0]=4 512 B8R0.14 CCOC(C)C(F)(F)F 01dd4adc9e0d1d38834b6b03879bd82e [0,1,1,0,0,0|2,0,0]=4 513 B8R0.14 CCO[C@@H](C)C(F)(F)F 6e3e8adc6b053f6819b10b6f8c418615 [0,1,1,0,0,0|2,0,0]=4 514 B8R0.14 CCO[C@H](C)C(F)(F)F 54705288b1393ed8d3ed832b30ef654c [0,1,1,0,0,0|2,0,0]=4 515 B8R0.15 C#CC(OCC)C(C)C 6a8af3f4cdd0bc066a863986d074c26b [0,1,1,0,0,0|1,0,1]=4 516 B8R0.15 C=CC(OCC)C(C)C 27434b9578280007aa064ab6388289aa [0,1,1,0,0,0|1,0,1]=4 517 B8R0.15 CCC(OCF)C(C)C 00571321126fa738b7f56d2abdd5da87 [0,1,1,0,0,0|2,0,0]=4 518 B8R0.15 CCNC(CC)C(C)C f4db5a514b7a19e99d5d676c90be24b4 [0,1,1,0,0,0|2,0,0]=4 519 B8R0.15 CCNC(CO)C(C)C a20bb1d195ffef6f110d61f40dff75dd [0,1,1,0,0,0|2,0,0]=4 520 B8R0.15 CCNC(CO)C(C)O ad7aae7bb760d2e1b98c8ce7819bdc47 [0,1,1,0,0,0|1,1,0]=4 521 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 9437a38f8b758cb0a592817dd3b24faf [0,1,1,0,0,0|1,1,0]=4 522 B8R0.15 CCN[C@@H](CO)C(C)C ce7761cdb6cf52ca9ed9a6d5f228dd14 [0,1,1,0,0,0|2,0,0]=4 523 B8R0.15 CCN[C@@H](CO)[C@@H](C)O 5e0a77cb5e13b8d713dfcb4bffbd9580 [0,1,1,0,0,0|1,1,0]=4 524 B8R0.15 CCN[C@@H](CO)[C@H](C)O e989700e5854e8bb09de2d57ba60972e [0,1,1,0,0,0|1,1,0]=4 525 B8R0.15 CCN[C@H](CC)[C@@H](C)O 43ee27f39678641d94beb29c7dca4d14 [0,1,1,0,0,0|1,1,0]=4 526 B8R0.15 CCN[C@H](CC)[C@H](C)O 642a6caece15e7ad19edf53bc1e5c46e [0,1,1,0,0,0|1,1,0]=4 527 B8R0.15 CCN[C@H](CO)C(C)C 25b3d22a77656145ec4fbc4cf7315048 [0,1,1,0,0,0|2,0,0]=4 528 B8R0.15 CCN[C@H](CO)[C@@H](C)O 6b6bcea404a72286553397ddb2dfec02 [0,1,1,0,0,0|1,1,0]=4 529 B8R0.15 CCN[C@H](CO)[C@H](C)O 63a966a5dd9e2873bf611f5e8b1501b7 [0,1,1,0,0,0|1,1,0]=4 530 B8R0.15 CCOC(C#N)C(C)C a046b093d6b831211c4840ca5f8a2d99 [0,1,1,0,0,0|1,0,1]=4 531 B8R0.15 CCOC(CC)C(C)C 18c5bc69d3aa8233a4f89cf882d20a96 [0,1,1,0,0,0|1,0,0]=3 532 B8R0.1 C#CCC(C)OCCC 726b29ef337798823059b3efca55fe70 [0,1,1,0,0,0|1,0,1]=4 533 B8R0.1 C#CCC(C)OCCF 1ab7d059b39e08a484ad1837b7116aad [0,1,1,0,0,0|1,0,1]=4 534 B8R0.1 C#CCC(C)OCCS 6d00ace3c2a736d579275f0bd36847ad [0,1,1,0,0,0|1,0,1]=4 535 B8R0.1 C#CCC(C)OCSC bb02c72767ccac090c5896e4c57a1b30 [0,1,1,0,0,0|1,0,1]=4 536 B8R0.1 C#CCOC(C)CCC 292a9da26dd6fef6b77c2dfe0aefdcd5 [0,1,1,0,0,0|1,0,1]=4 537 B8R0.1 C#CCO[C@@H](C)CCC 59461e1b1d7a142b510d19a0b98bf0f8 [0,1,1,0,0,0|1,0,1]=4 538 B8R0.1 C#CCO[C@H](C)CCC 2bb84b902e1ccc7a64fd1f85c25c42f1 [0,1,1,0,0,0|1,0,1]=4 539 B8R0.1 C/C=C/C(C)OCCS ffa90dbc8d97398889c970ed403d64c7 [0,1,1,0,0,0|1,0,1]=4 540 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [0,1,1,0,0,0|1,0,1]=4 541 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,1,1,0,0,0|1,0,1]=4 542 B8R0.1 C=CCC(C)OCCF 876f3a417169ab4b1923ee788d5dc5a1 [0,1,1,0,0,0|1,0,1]=4 543 B8R0.1 C=CCC(C)OCCS fc0c953432b2651d92b5a8e3c428c38d [0,1,1,0,0,0|1,0,1]=4 544 B8R0.1 C=CCC(C)OCOC 281b0bbcfd0d56f0759e511db89fe2ba [0,1,1,0,0,0|1,0,1]=4 545 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [0,1,1,0,0,0|1,0,1]=4 546 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,1,1,0,0,0|1,0,0]=3 547 B8R0.1 C=CCCC(C)OCF 2fe0bf3483d518898b11cb64496852dd [0,1,1,0,0,0|2,0,0]=4 548 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,1,1,0,0,0|1,0,0]=3 549 B8R0.1 C=CCC[C@@H](C)OCF 56aa63106d3c71dcf2e80e084457afa8 [0,1,1,0,0,0|2,0,0]=4 550 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,1,1,0,0,0|1,0,1]=4 551 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,1,1,0,0,0|1,0,1]=4 552 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,1,1,0,0,0|1,0,1]=4 553 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,1,1,0,0,0|1,0,1]=4 554 B8R0.1 C=CC[C@@H](C)OCCF 0e221b4e3777ac0e75fec6bc777769f9 [0,1,1,0,0,0|1,0,1]=4 555 B8R0.1 C=CC[C@@H](C)OCCS a793bef9b5fb1aecc9937aaba2cf4ca4 [0,1,1,0,0,0|1,0,1]=4 556 B8R0.1 C=CC[C@@H](C)OCOC fcb1b5a2c21edbd89383d6033a63e9ae [0,1,1,0,0,0|1,0,1]=4 557 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [0,1,1,0,0,0|1,0,1]=4 558 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,1,1,0,0,0|1,0,1]=4 559 B8R0.1 C=CC[C@H](C)OCCF de84939ff1a4fae7b057243706dea173 [0,1,1,0,0,0|1,0,1]=4 560 B8R0.1 C=CC[C@H](C)OCCS 061bef58b35add8d9c046c4e85b43a74 [0,1,1,0,0,0|1,0,1]=4 561 B8R0.1 C=CC[C@H](C)OCOC f258f69d76f9669905c9f9c961e70ed3 [0,1,1,0,0,0|1,0,1]=4 562 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [0,1,1,0,0,0|1,0,1]=4 563 B8R0.1 CC#CC(C)OCCS b58687f3fb0bcc9589b280648c070520 [0,1,1,0,0,0|1,0,1]=4 564 B8R0.1 CC(CC#N)OCCF 242fe6a52f369bb10dd75b7367d22f85 [0,1,1,0,0,0|1,0,1]=4 565 B8R0.1 CC(CC#N)OCCS 6ad4eb77ca72315e4d40e0a32521468a [0,1,1,0,0,0|1,0,1]=4 566 B8R0.1 CC(CCO)NCCBr 9b5f002d95be67cfb3c77312635814a6 [0,1,1,0,0,0|1,1,0]=4 567 B8R0.1 CC(CCO)NCCF 4e257f114308a239c2538fd78e65f082 [0,1,1,0,0,0|1,1,0]=4 568 B8R0.1 CC(CCO)NCCI 24edf90a2f3b29d67860206f5f06d1a2 [0,1,1,0,0,0|1,1,0]=4 569 B8R0.1 CC(CCO)NCCO 0a38eb93d70e76c5195f8f8b7e0bc79d [0,1,1,0,0,0|1,1,0]=4 570 B8R0.1 CC(CCO)NCCS 7f5bd57c90f526174e20091745409967 [0,1,1,0,0,0|1,1,0]=4 571 B8R0.1 CC=CC(C)OCCS 02646f09bd8a02cbc22c0c81965c173c [0,1,1,0,0,0|1,0,1]=4 572 B8R0.1 CCC#CC(C)OCC d76be9df2c7cf1b4438967176018af44 [0,1,1,0,0,0|1,0,1]=4 573 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,1,1,0,0,0|1,0,0]=3 574 B8R0.1 CCCC(C)COCF 93c3ddfe52dd775edf5ae50e46d5413c [0,1,1,0,0,0|2,0,0]=4 575 B8R0.1 CCCC(C)NCCBr 753adf372612d932eb167d3c6c6a7373 [0,1,1,0,0,0|2,0,0]=4 576 B8R0.1 CCCC(C)NCCF 561290ca4cbab4d4179520d904990ead [0,1,1,0,0,0|2,0,0]=4 577 B8R0.1 CCCC(C)NCCI 853631fdd24c7675889f7c8342411ed2 [0,1,1,0,0,0|2,0,0]=4 578 B8R0.1 CCCC(C)NCCO d387394dd5b59962f0214322519a89cd [0,1,1,0,0,0|1,1,0]=4 579 B8R0.1 CCCC(C)NCCS ae0edf47df652752132304246cff565d [0,1,1,0,0,0|1,0,0]=3 580 B8R0.1 CCCC(C)NCOC 7593556ba3b3358786240e76b9dc1cde [0,1,1,0,0,0|2,0,0]=4 581 B8R0.1 CCCC(C)NCSC 3493d269ab799371709caa3d578d33ab [0,1,1,0,0,0|2,0,0]=4 582 B8R0.1 CCCC(C)OCC#N 4085f27291709d3acf54fc2da94130ba [0,1,1,0,0,0|1,0,1]=4 583 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,1,1,0,0,0|1,0,1]=4 584 B8R0.1 CCCC(C)OCCF 51dd4182d40ab8df7fc597096aea8427 [0,1,1,0,0,0|1,0,0]=3 585 B8R0.1 CCCC(C)OCCS 69475e4324fe3c939d55cdf50e8476b5 [0,1,1,0,0,0|1,0,0]=3 586 B8R0.1 CCCC(C)OCOC 7c2918bfa8ffaddb181d24a90d0ac5c3 [0,1,1,0,0,0|1,0,0]=3 587 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,1,1,0,0,0|1,0,0]=3 588 B8R0.1 CCCCC(C)NCC 4583005e506d2176e59cdaa84e6525c6 [0,1,1,0,0,0|2,0,0]=4 589 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,1,0,0,0|1,0,0]=3 590 B8R0.1 CCCCC(C)OCF 8f64235a04b7426a52761157f7a2f136 [0,1,1,0,0,0|2,0,0]=4 591 B8R0.1 CCCCN(C)CCS 3e265071a664b45e2ee59abc544de5e5 [0,1,1,0,0,0|2,0,0]=4 592 B8R0.1 CCCC[C@@H](C)NCC c18bfbe49afa779f9ec8f1e0c1e03df7 [0,1,1,0,0,0|2,0,0]=4 593 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,1,0,0,0|1,0,0]=3 594 B8R0.1 CCCC[C@@H](C)OCF ff66df83640c2dbad9e8ec8dcc4cafcc [0,1,1,0,0,0|2,0,0]=4 595 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,1,0,0,0|1,0,0]=3 596 B8R0.1 CCCC[C@H](C)OCF e55dba0a966d7f5aa8a47328924d9297 [0,1,1,0,0,0|2,0,0]=4 597 B8R0.1 CCCN(C)CCCS 13f800e972129b543eca8df52c669ca8 [0,1,1,0,0,0|2,0,0]=4 598 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,1,1,0,0,0|2,0,0]=4 599 B8R0.1 CCCN(C)COCC cf6f2674ada2fc38b6be0d5d76fba32b [0,1,1,0,0,0|2,0,0]=4 600 B8R0.1 CCCNC(C)CCC d58b8fb4472d4722966db633dc2848a1 [0,1,1,0,0,0|2,0,0]=4 601 B8R0.1 CCCNC(C)CCO 2e0066dec5bfac2fe8aee5a15fdb0084 [0,1,1,0,0,0|1,1,0]=4 602 B8R0.1 CCCN[C@@H](C)CCC 559d6e0322e30323f5594c28d9f6d2f9 [0,1,1,0,0,0|2,0,0]=4 603 B8R0.1 CCCN[C@@H](C)CCO d83bfeeda889a8c7feae809ec08f9d71 [0,1,1,0,0,0|1,1,0]=4 604 B8R0.1 CCCN[C@H](C)CCO 868b607afbbd0b779ae880e9de3082ae [0,1,1,0,0,0|1,1,0]=4 605 B8R0.1 CCCOC(C)CC#N 407318eac9e44ed191090c3a4ee1db31 [0,1,1,0,0,0|1,0,1]=4 606 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,1,1,0,0,0|1,0,0]=3 607 B8R0.1 CCCOC(C)COC 7da8295e4d831ee4f9d2cde28bad1a12 [0,1,1,0,0,0|2,0,0]=4 608 B8R0.1 CCCOC(C)CSC 9f9571e90cf786089b434f3ce024d599 [0,1,1,0,0,0|2,0,0]=4 609 B8R0.1 CCCO[C@@H](C)CC#N e1cc5f2702a0bdb4ec145d80cec246cf [0,1,1,0,0,0|1,0,1]=4 610 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,1,1,0,0,0|1,0,0]=3 611 B8R0.1 CCCO[C@@H](C)COC 626e622663639373f117286290b64b6d [0,1,1,0,0,0|2,0,0]=4 612 B8R0.1 CCCO[C@H](C)CC#N 92b4d59f363ebe9abc712b1a1f2a0233 [0,1,1,0,0,0|1,0,1]=4 613 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,1,1,0,0,0|1,0,0]=3 614 B8R0.1 CCCO[C@H](C)COC 97f2c6bbb0fdd054219bab069984cf44 [0,1,1,0,0,0|2,0,0]=4 615 B8R0.1 CCC[C@@H](C)OCC#N 6cfa39cf188e361c410ed92789c272b5 [0,1,1,0,0,0|1,0,1]=4 616 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,1,1,0,0,0|1,0,1]=4 617 B8R0.1 CCC[C@@H](C)OCCF 551477ebd941c69308556a318357406d [0,1,1,0,0,0|1,0,0]=3 618 B8R0.1 CCC[C@@H](C)OCCS 32dc180121f7e6b2463f9b82f724d60f [0,1,1,0,0,0|1,0,0]=3 619 B8R0.1 CCC[C@@H](C)OCOC 424856e8f73d9733e5e6cd61105c8f9c [0,1,1,0,0,0|1,0,0]=3 620 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,1,1,0,0,0|1,0,0]=3 621 B8R0.1 CCC[C@H](C)NCCF ad34b2e1bc15d73c299f2f9233e9fc6d [0,1,1,0,0,0|2,0,0]=4 622 B8R0.1 CCC[C@H](C)NCCO a9ccf92f27c638a9d01093b14de8d08e [0,1,1,0,0,0|1,1,0]=4 623 B8R0.1 CCC[C@H](C)NCCS 4b977739e63bd4bdba50b1434c29865f [0,1,1,0,0,0|1,0,0]=3 624 B8R0.1 CCC[C@H](C)NCOC e6035597a8eb8fe082f6fe480c7fc30b [0,1,1,0,0,0|2,0,0]=4 625 B8R0.1 CCC[C@H](C)NCSC 104ebf702d7962ee0497ce7761710d65 [0,1,1,0,0,0|2,0,0]=4 626 B8R0.1 CCC[C@H](C)OCC#N a65ccb7a75a6f63c6043f7514ae51a4c [0,1,1,0,0,0|1,0,1]=4 627 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,1,1,0,0,0|1,0,1]=4 628 B8R0.1 CCC[C@H](C)OCCF e12d025f332e1847a0a0c8377933b294 [0,1,1,0,0,0|1,0,0]=3 629 B8R0.1 CCC[C@H](C)OCCS 9c981c47f7c3ead27a21a510681a21c3 [0,1,1,0,0,0|1,0,0]=3 630 B8R0.1 CCC[C@H](C)OCOC f3c5c84cdb332795f207cd42cee3605b [0,1,1,0,0,0|1,0,0]=3 631 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,1,1,0,0,0|1,0,0]=3 632 B8R0.1 CCNC(C)CCCO 4cb159cc51e237a2b68098cab9f966c9 [0,1,1,0,0,0|1,1,0]=4 633 B8R0.1 CCNCC(C)CCO ce19fc97a41079125b3a501e5658b50e [0,1,1,0,0,0|1,1,0]=4 634 B8R0.1 CCNCC(C)OCC eada9db090733897974960683afe5496 [0,1,1,0,0,0|1,0,0]=3 635 B8R0.1 CCN[C@H](C)CCCO b5ffb788d1af92f75fbf496c96240314 [0,1,1,0,0,0|1,1,0]=4 636 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,1,1,0,0,0|0,1,0]=3 637 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,1,1,0,0,0|0,0,0]=2 638 B8R0.1 CCOC(C)CNC=O 6ac843f8d05ef25abe339acf9a7e85be [0,1,1,0,0,0|0,1,1]=4 639 B8R0.1 CCOC(C)CNCF be2ee28f67404fc5b60bff7ea6d449a0 [0,1,1,0,0,0|1,0,0]=3 640 B8R0.1 CCOC(C)CNCO 3791a70ca25acb67327e3b2673fe76fd [0,1,1,0,0,0|0,1,0]=3 641 B8R0.1 CCOC(C)COCF e0bd0d7aebb310cf311ec127f701e0f8 [0,1,1,0,0,0|1,0,0]=3 642 B8R0.1 CCOCC(C)OCC 20a9fb9f86ef4d51ef11c7f7a467151a [0,1,1,0,0,0|1,0,0]=3 643 B8R0.1 CCOCC(C)OCF bcb6d4f0696d0db17649578eada29ff8 [0,1,1,0,0,0|2,0,0]=4 644 B8R0.1 CCOCN(C)CCF 15f09a6694334e8fa617a47fe167018e [0,1,1,0,0,0|2,0,0]=4 645 B8R0.1 CCOCN(C)CCO d229648483b22399699fd2ff299b7b3c [0,1,1,0,0,0|1,1,0]=4 646 B8R0.1 CN(CCS)CCCO 128d6d2fd1d0f5cb95de704956d68fe8 [0,1,1,0,0,0|2,0,0]=4 647 B8R0.1 COCC(C)NCCS 0c48b5ac3fb6b83a7c07cb573cbf905d [0,1,1,0,0,0|2,0,0]=4 648 B8R0.1 COCC(C)OCCF 4d25fe5841fbbc0958bbed68d66d45cd [0,1,1,0,0,0|2,0,0]=4 649 B8R0.1 COCC(C)OCCS dc09b0fb0753a53299a8d871512bc6a2 [0,1,1,0,0,0|2,0,0]=4 650 B8R0.1 COCC(C)OCSC ac9b2ab32f9f977b5baebe980be0f344 [0,1,1,0,0,0|2,0,0]=4 651 B8R0.1 COCCC(C)OCF 1c24462098656029d24876204a2cded4 [0,1,1,0,0,0|1,1,0]=4 652 B8R0.1 COCCN(C)CCS 83f03283cbacd33730b90834828ac225 [0,1,1,0,0,0|2,0,0]=4 653 B8R0.1 COCNC(C)CCO beef74a08774c424be705bcf888f26fa [0,1,1,0,0,0|1,1,0]=4 654 B8R0.1 COCN[C@@H](C)CCO 846c34ef1a51838a6139eeea9d4f99da [0,1,1,0,0,0|1,1,0]=4 655 B8R0.1 COCN[C@H](C)CCO 92078ebb5dafc18f4d78c5f9e159a8b4 [0,1,1,0,0,0|1,1,0]=4 656 B8R0.1 COCOC(C)CC#N 0682782c46f343ea8ea7ab951470537f [0,1,1,0,0,0|1,0,1]=4 657 B8R0.1 COCOC(C)COC 7dd669d6ea2494b3523f618492ce68f2 [0,1,1,0,0,0|2,0,0]=4 658 B8R0.1 COCOC(C)CSC 67f2cecd3f83eeb485abb23e4115d530 [0,1,1,0,0,0|2,0,0]=4 659 B8R0.1 COCO[C@@H](C)COC 8b24e85ea2d85b99e5e5d22ec5bd1a47 [0,1,1,0,0,0|2,0,0]=4 660 B8R0.1 COCO[C@H](C)COC 3aa38d1467a3f8a477b83b1e15d1f395 [0,1,1,0,0,0|2,0,0]=4 661 B8R0.1 COC[C@@H](C)NCCS c1a0ef2c1db0eafdfbae83e6b2ab6150 [0,1,1,0,0,0|2,0,0]=4 662 B8R0.1 COC[C@@H](C)OCCF c6f35b3504e96433ddf50584161123c4 [0,1,1,0,0,0|2,0,0]=4 663 B8R0.1 COC[C@@H](C)OCCS 97c93538d74314c75d1f95b22f9ee5ea [0,1,1,0,0,0|2,0,0]=4 664 B8R0.1 COC[C@@H](C)OCSC aa5c9cbc144555adec3b3216ca3944d4 [0,1,1,0,0,0|2,0,0]=4 665 B8R0.1 COC[C@H](C)NCCS 7dadc5772c9df6151c25bf104059e3fe [0,1,1,0,0,0|2,0,0]=4 666 B8R0.1 COC[C@H](C)OCCF 5868f63f2ae9b3c9cc835061e035dd23 [0,1,1,0,0,0|2,0,0]=4 667 B8R0.1 COC[C@H](C)OCCS 7322d1c93dd5ab6f4b1a0e283db4fa99 [0,1,1,0,0,0|2,0,0]=4 668 B8R0.1 COC[C@H](C)OCSC c2a2f3066cbeb1757c54bc82b005ec40 [0,1,1,0,0,0|2,0,0]=4 669 B8R0.1 CSCC(C)OCCF a09a905ddb581f9ec7a4a8fc9c3b330c [0,1,1,0,0,0|2,0,0]=4 670 B8R0.1 CSCC(C)OCCS 87c78ed89e5ba05b837584ab98110c8a [0,1,1,0,0,0|2,0,0]=4 671 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,1,1,0,0,0|1,0,0]=3 672 B8R0.1 CSCCN(C)CCS 81ba41fb7d6f3f42166f9514690c9e2c [0,1,1,0,0,0|2,0,0]=4 673 B8R0.1 CSCNC(C)CCO 384369778a555cb452533bc5ca73f9fe [0,1,1,0,0,0|1,1,0]=4 674 B8R0.1 CSCN[C@@H](C)CCO e98ada11c075b45fe978efc49ee8a7bf [0,1,1,0,0,0|1,1,0]=4 675 B8R0.1 CSCN[C@H](C)CCO f6d18924a000e6d1418cf5dabf72ecc1 [0,1,1,0,0,0|1,1,0]=4 676 B8R0.1 CSCOC(C)CC#N 82258fbdf25b30f079772f67634d60a8 [0,1,1,0,0,0|1,0,1]=4 677 B8R0.1 CSCOC(C)CSC fd4788b9d6e38c9985f276fa19ca967e [0,1,1,0,0,0|2,0,0]=4 678 B8R0.1 CSCO[C@@H](C)CC#N c7dc0b9e4684d90333d3995116c058a6 [0,1,1,0,0,0|1,0,1]=4 679 B8R0.1 CSCO[C@H](C)CC#N ab2ed16860b4cad06a3cf0feae0c30a7 [0,1,1,0,0,0|1,0,1]=4 680 B8R0.1 C[C@@H](CC#N)OCCF 0239b81ca58fc8a011a7bc1cb3613e6f [0,1,1,0,0,0|1,0,1]=4 681 B8R0.1 C[C@@H](CC#N)OCCS 5a5df71265fa40812fd276d78ffdf4fa [0,1,1,0,0,0|1,0,1]=4 682 B8R0.1 C[C@@H](CCO)NCCF c4114ad9237021fc43e0b45cbec3ae30 [0,1,1,0,0,0|1,1,0]=4 683 B8R0.1 C[C@@H](CCO)NCCO d2e7fd644e961d6f86d76e6efcd22d24 [0,1,1,0,0,0|1,1,0]=4 684 B8R0.1 C[C@@H](CCO)NCCS 46128b2ebad6b96cf3a0db53184e8aeb [0,1,1,0,0,0|1,1,0]=4 685 B8R0.1 C[C@H](CC#N)OCCF e42797d762f330da103576e291f96331 [0,1,1,0,0,0|1,0,1]=4 686 B8R0.1 C[C@H](CC#N)OCCS 8ffa245ae21b76f007a2b9d8633ee0e9 [0,1,1,0,0,0|1,0,1]=4 687 B8R0.1 C[C@H](CCO)NCCF a4b20a6c6b1f8a9eafb5ab03e272b019 [0,1,1,0,0,0|1,1,0]=4 688 B8R0.1 C[C@H](CCO)NCCO a3f01fe7a9fe79340267f6653a06eb66 [0,1,1,0,0,0|1,1,0]=4 689 B8R0.1 C[C@H](CCO)NCCS 9253753fad1a3272b1c7345dfbc236be [0,1,1,0,0,0|1,1,0]=4 690 B8R0.22 C#CC(CCC)OCC f22d8bf31fea2adfe9fa207ed6558425 [0,1,1,0,0,0|1,0,1]=4 691 B8R0.22 C#CCC(CC)OCC 429ada3bf02fda515e344a1961ca3855 [0,1,1,0,0,0|1,0,1]=4 692 B8R0.22 C=CC(CCC)OCC 83f7ef8d30a51e1e5c4db64e2faf14e7 [0,1,1,0,0,0|1,0,1]=4 693 B8R0.22 CCCC(C#N)OCC a338cf0a28ea8309ca076bf548560d98 [0,1,1,0,0,0|1,0,1]=4 694 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,1,1,0,0,0|1,0,0]=3 695 B8R0.22 CCCC(CC)OCF ce7c200aebd362fbdb26e3cffa550e7b [0,1,1,0,0,0|2,0,0]=4 696 B8R0.22 CCCC(CO)NCC b8c7f0be112f24c01dd7f8415b0a6e3f [0,1,1,0,0,0|2,0,0]=4 697 B8R0.22 CCCN(CC)CCS d13e9cb0503ea391c9c728c78375cf51 [0,1,1,0,0,0|2,0,0]=4 698 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,1,1,0,0,0|1,0,0]=3 699 B8R0.22 CCC[C@@H](CC)OCF 7aa5f0ec7ab4c268dbb1cc54d34ff94b [0,1,1,0,0,0|2,0,0]=4 700 B8R0.22 CCC[C@@H](CO)NCC 56ab3d096c6223ec587ad816d0445356 [0,1,1,0,0,0|2,0,0]=4 701 B8R0.22 CCC[C@H](CO)NCC 9c47d0227f2e89819e7d2ecbd9f9d4a0 [0,1,1,0,0,0|2,0,0]=4 702 B8R0.22 CCNC(CO)CCO 236b212c9afd3f6159230d9b4b9c0ea7 [0,1,1,0,0,0|1,1,0]=4 703 B8R0.22 CCN[C@@H](CO)CCO e7b1ee3f6445a52557c502ec712e1ce8 [0,1,1,0,0,0|1,1,0]=4 704 B8R0.22 CCOC(CBr)CCBr bf0b9f756baa32efc7ef5720cc6f409c [0,1,1,0,0,0|1,0,0]=3 705 B8R0.22 CCOC(CC)CC#N b51f9a6ab553208797a0e3e5dafe2841 [0,1,1,0,0,0|1,0,1]=4 706 B8R0.22 CCOC(CC)COC 5abfd343e0b4d1c299a8c6b54e73b27d [0,1,1,0,0,0|2,0,0]=4 707 B8R0.22 CCOC(CC)CSC 8ed7b9fab73898e63015d64833b57a87 [0,1,1,0,0,0|2,0,0]=4 708 B8R0.22 CCOC(CCl)CCCl 5c073036ccca816860f171e244686a83 [0,1,1,0,0,0|1,0,0]=3 709 B8R0.22 CCO[C@H](CC)CC#N 0b719200a1cb6d6b1a758e5b97a05ecd [0,1,1,0,0,0|1,0,1]=4 710 B8R0.22 FCOC(CBr)CCBr 3144af2082c8cec0fe003d0816257fcc [0,1,1,0,0,0|2,0,0]=4 711 B8R0.22 FCOC(CCl)CCCl af2fbf570ab882fc44290de5a2904e82 [0,1,1,0,0,0|2,0,0]=4 712 B8R0.30 CCNC(C)(C)CCO fda6997d311c221bbc76b59309e8c52f [0,1,1,0,0,0|1,1,0]=4 713 B8R1.1 CC1CCN(C1)CF da0970cce8482326171d63e42120fe9a [1,1,0,0,0,0|2,0,0]=4 714 B8R1.1 CC1CCN(C1)CO 35ec454f519cadc0e2b5b2b07f513132 [1,1,0,0,0,0|2,0,0]=4 715 B8R1.1 CCN1CCC(C1)C c5b0c6261615cc6c7323d9c48f305770 [1,1,0,0,0,0|2,0,0]=4 716 B8R1.16 CC1CC(N1CF)C 3289a97bba2879d59090b846c1a9295f [0,1,0,0,1,0|2,0,0]=4 717 B8R1.16 CC1CC(N1CO)C 0d2cc050f7f7306033a09e6f9a4e942c [0,1,0,0,1,0|2,0,0]=4 718 B8R1.16 CCN1C(CC1C)C caa7a426b0056f3ed9602d58e88e5fb3 [0,1,0,0,1,0|2,0,0]=4 719 B8R1.16 CCN1[C@@H](C[C@@H]1C)C 6b71c5fa41e862407d367f59c872d6c8 [0,1,0,0,1,0|2,0,0]=4 720 B8R1.16 CCN1[C@@H](C[C@H]1C)C 31a518c2fb234fcc99ff5852357987ca [0,1,0,0,1,0|2,0,0]=4 721 B8R1.16 CCN1[C@H](C[C@@H]1C)C eafd91ee0f290812abdc6fa4506793fa [0,1,0,0,1,0|2,0,0]=4 722 B8R1.16 C[C@@H]1C[C@@H](N1CF)C 32aeaf0367ff5b1440620dca3572f44b [0,1,0,0,1,0|2,0,0]=4 723 B8R1.16 C[C@@H]1C[C@@H](N1CO)C 18f7bbadc01c95286f3cf39c2fbf1570 [0,1,0,0,1,0|2,0,0]=4 724 B8R1.16 C[C@@H]1C[C@H](N1CF)C 8a92840e51533693f6579fdd9fc124da [0,1,0,0,1,0|2,0,0]=4 725 B8R1.16 C[C@@H]1C[C@H](N1CO)C 41ebbbcfbee3186005b95ab10e69c145 [0,1,0,0,1,0|2,0,0]=4 726 B8R1.16 C[C@H]1C[C@@H](N1CF)C 5a89c52252504238f0ef6eb4afb1de98 [0,1,0,0,1,0|2,0,0]=4 727 B8R1.16 C[C@H]1C[C@@H](N1CO)C 2e0ec9fe5aa6c39451de63c0534f47eb [0,1,0,0,1,0|2,0,0]=4 728 B10R1.8 CC1CN(CC(O1)C)C=O 9397caf673e4372befa4872e54bad84b [0,1,0,0,0,1|1,1,0]=4 729 B10R1.8 CC1CN(CC(O1)C)CF 8e15b1d42fc19d8d2b0c28b963142b7d [0,1,0,0,0,1|2,0,0]=4 730 B10R1.8 CC1CN(CC(O1)C)CO 6e323fff2e947959b6517f6d7c597813 [0,1,0,0,0,1|1,1,0]=4 731 B10R1.8 CCN1CC(OC(C1)C)C 5521d668eb1eb95b1b1bb6f61d1d592a [0,1,0,0,0,1|2,0,0]=4 732 B10R1.8 CCN1C[C@@H](O[C@H](C1)C)C e907671543c692f6dfc1530233e04e7e [0,1,0,0,0,1|2,0,0]=4 733 B10R1.8 CCN1C[C@H](O[C@@H](C1)C)C 7f4a1b5c3983fa75f5b300e04126e6c5 [0,1,0,0,0,1|2,0,0]=4 734 B10R1.8 CCN1C[C@H](O[C@H](C1)C)C e7ccecadbdad183c1b4ae9ce18230ea4 [0,1,0,0,0,1|2,0,0]=4 735 B10R1.8 C[C@@H]1CN(C[C@@H](O1)C)C=O b6b56373ef40a15da4924b286a9de3fb [0,1,0,0,0,1|1,1,0]=4 736 B10R1.8 C[C@@H]1CN(C[C@@H](O1)C)CF 148f32fb1e89c7b62cfd67e3a5aecc93 [0,1,0,0,0,1|2,0,0]=4 737 B10R1.8 C[C@@H]1CN(C[C@@H](O1)C)CO 53a08db36c1b680c8a1e483e01a1982e [0,1,0,0,0,1|1,1,0]=4 738 B10R1.8 C[C@@H]1CN(C[C@H](O1)C)C=O 2b773ac021ac718b3067f0968cb9f7cc [0,1,0,0,0,1|1,1,0]=4 739 B10R1.8 C[C@@H]1CN(C[C@H](O1)C)CF 930978886d4fdaee7c73bed09826aff9 [0,1,0,0,0,1|2,0,0]=4 740 B10R1.8 C[C@@H]1CN(C[C@H](O1)C)CO 9e480866636afa2ca3878243640103ed [0,1,0,0,0,1|1,1,0]=4 741 B10R1.8 C[C@H]1CN(C[C@@H](O1)C)C=O 8fd682d065eaf614cf168cd310c41c10 [0,1,0,0,0,1|1,1,0]=4 742 B10R1.8 C[C@H]1CN(C[C@@H](O1)C)CF 79360b4ca7acf20bf704661fb76b4078 [0,1,0,0,0,1|2,0,0]=4 743 B10R1.8 C[C@H]1CN(C[C@@H](O1)C)CO a77bb88462d1206c70886dc70bac2f66 [0,1,0,0,0,1|1,1,0]=4 744 B10R1.30 CC1CN(C(CO1)C)C=O 4bd196d8b826302d59a3529dbfbd9ba4 [0,1,0,0,0,1|1,1,0]=4 745 B10R1.30 CC1CN(C(CO1)C)CF 23683bcf637efb34f9561d8327f29285 [0,1,0,0,0,1|2,0,0]=4 746 B10R1.30 CC1CN(C(CO1)C)CO 7b4c750e85e018d082b1ba3bc6bb9bc5 [0,1,0,0,0,1|1,1,0]=4 747 B10R1.30 CCN1CC(OCC1C)C 7d1bbcc7773e03740b27195ded5d6c53 [0,1,0,0,0,1|2,0,0]=4 748 B10R1.30 CCN1C[C@@H](OC[C@@H]1C)C 4ae7e7aaf8e52e896fcc6fc5a1246c33 [0,1,0,0,0,1|2,0,0]=4 749 B10R1.30 CCN1C[C@@H](OC[C@H]1C)C f3c21722b5008a1e0ed62c6eb01478b9 [0,1,0,0,0,1|2,0,0]=4 750 B10R1.30 CCN1C[C@H](OC[C@@H]1C)C 4a85f3fe35557cec288d7091bc1dfd3a [0,1,0,0,0,1|2,0,0]=4 751 B10R1.30 CCN1C[C@H](OC[C@H]1C)C b55c723cb60c92accd76749cd7a7f6aa [0,1,0,0,0,1|2,0,0]=4 752 B10R1.30 C[C@@H]1CN([C@@H](CO1)C)C=O a49368416a591c3163ae84fb03aad8cc [0,1,0,0,0,1|1,1,0]=4 753 B10R1.30 C[C@@H]1CN([C@@H](CO1)C)CF 93733099d56396c1694b32b2812cf63e [0,1,0,0,0,1|2,0,0]=4 754 B10R1.30 C[C@@H]1CN([C@@H](CO1)C)CO 87e08a81e4c5b142e9e9abaef7eb0633 [0,1,0,0,0,1|1,1,0]=4 755 B10R1.30 C[C@@H]1CN([C@H](CO1)C)C=O 749a94077d28509b4eda9cfb756d4ef5 [0,1,0,0,0,1|1,1,0]=4 756 B10R1.30 C[C@@H]1CN([C@H](CO1)C)CF f9c98dd0b62a59b9150abbd59a785b91 [0,1,0,0,0,1|2,0,0]=4 757 B10R1.30 C[C@@H]1CN([C@H](CO1)C)CO 6015c59073b112ca8bb0cecc0eb53767 [0,1,0,0,0,1|1,1,0]=4 758 B10R1.30 C[C@@H]1CO[C@H](CN1C=O)C 65b8f31fd78ba1789b7b99b9c6672438 [0,1,0,0,0,1|1,1,0]=4 759 B10R1.30 C[C@@H]1CO[C@H](CN1CF)C 67e9985e8b2f747dd3eae0e9fef5c939 [0,1,0,0,0,1|2,0,0]=4 760 B10R1.30 C[C@@H]1CO[C@H](CN1CO)C 361fd9bee626dcdb82ba36bf794e1486 [0,1,0,0,0,1|1,1,0]=4 761 B10R1.30 C[C@H]1CN([C@H](CO1)C)C=O b452e84e2d6687fa0f0f06d1a042e231 [0,1,0,0,0,1|1,1,0]=4 762 B10R1.30 C[C@H]1CN([C@H](CO1)C)CF 64c8e2459b7b57a191611e0ae7d6cebf [0,1,0,0,0,1|2,0,0]=4 763 B10R1.30 C[C@H]1CN([C@H](CO1)C)CO 0d1cc2983f4eb5ff204d2ba49482b24a [0,1,0,0,0,1|1,1,0]=4 764 B8R1.20 CC(C)NC1CC1C abccfd7ee353db4e1bbbc4dbe367e3e5 [0,0,1,1,0,0|2,0,0]=4 765 B8R1.20 CC(C)N[C@@H]1C[C@H]1F e65d02673ee32aff6c70934dc3da7e24 [0,0,1,1,0,0|2,0,0]=4 766 B8R1.20 CC(C)N[C@H]1C[C@@H]1F 1393df251979181d98c09bbcd4004866 [0,0,1,1,0,0|2,0,0]=4 767 B8R1.20 CC(C)N[C@H]1C[C@H]1F 951f1399a33917a3821bcfd9d1590a56 [0,0,1,1,0,0|2,0,0]=4 768 B8R1.34 CC(C)NC1CCC1 c4700c83194fa65555595d2ad57dbc32 [0,0,1,1,0,0|2,0,0]=4 769 B8R1.34 CC(C)NC1COC1 d17f82a7370ef97b25be449f743e8261 [0,0,1,1,0,0|1,1,0]=4 770 B8R1.34 CC(C)OC1CCC1 48443e3318a1759f4b9f0cc03f7ce9f5 [0,0,1,1,0,0|1,0,0]=3 771 B8R1.34 CC(C)OC1COC1 32a956515674200eab69d53784a53442 [0,0,1,1,0,0|0,1,0]=3 772 B8R1.34 CC(C)OC1CSC1 0f80c8ae8ac6e64e127bfe2c23fbf2f7 [0,0,1,1,0,0|0,0,0]=2 773 B8R1.34 CC(O)CN1CCC1 c968b76b6db8bde6dbcca9aa6b0299d6 [0,0,1,1,0,0|2,0,0]=4 774 B8R1.34 C[C@@H](O)CN1CCC1 b5f2cf9878abeb4a8a834874c79174e7 [0,0,1,1,0,0|2,0,0]=4 775 B8R1.34 C[C@H](O)CN1CCC1 199f11a3ece69c3aaaa8b0f1f376d79b [0,0,1,1,0,0|2,0,0]=4 776 B8R1.40 C#CC(C)OC1CC1 9da6fe280742a4ee58427f842544562c [0,0,1,1,0,0|1,0,1]=4 777 B8R1.40 C#C[C@@H](C)OC1CC1 9b2560a7d1313ccaa7838aa88397a05a [0,0,1,1,0,0|1,0,1]=4 778 B8R1.40 C#C[C@H](C)OC1CC1 6541f6d5175131766636e59fcc94e76b [0,0,1,1,0,0|1,0,1]=4 779 B8R1.40 C=CC(C)OC1CC1 c4555d3282a816c367083c1a03c48a68 [0,0,1,1,0,0|1,0,1]=4 780 B8R1.40 C=C[C@H](C)OC1CC1 aee4e5bffcd126c9d1f0f3e9ad16a764 [0,0,1,1,0,0|1,0,1]=4 781 B8R1.40 CC(C#N)OC1CC1 efe85b35f8ee33ffc8404017a9c60c94 [0,0,1,1,0,0|1,0,1]=4 782 B8R1.40 CC(C=O)OC1CC1 23105afb975e278e4885544692b945fa [0,0,1,1,0,0|0,1,1]=4 783 B8R1.40 CC(CF)OC1CC1 9d22c40342837e285679ed10b765ed68 [0,0,1,1,0,0|1,0,0]=3 784 B8R1.40 CC(CO)NC1CC1 f6311cf67b6ba2204bab0dbb44a50bbc [0,0,1,1,0,0|1,1,0]=4 785 B8R1.40 CC(CS)OC1CC1 1cc1fbd573f5592ba9ac6a9c397c7ffe [0,0,1,1,0,0|0,0,0]=2 786 B8R1.40 CCC(C)NC1CC1 94875b9551eba0e9bd26195acf68922b [0,0,1,1,0,0|2,0,0]=4 787 B8R1.40 CCC(C)OC1CC1 68ed2fdfe0b177445d70e3d5225b65a4 [0,0,1,1,0,0|1,0,0]=3 788 B8R1.40 CC[C@@H](C)NC1CC1 410d7c870d4447260edc03bb5a83de89 [0,0,1,1,0,0|2,0,0]=4 789 B8R1.40 CC[C@@H](C)OC1CC1 c589c35c96af6e1ebe99b6ae61ff931b [0,0,1,1,0,0|1,0,0]=3 790 B8R1.40 CC[C@H](C)NC1CC1 ebb7f6954df91dc6276951b58ca4e4c7 [0,0,1,1,0,0|2,0,0]=4 791 B8R1.40 CC[C@H](C)OC1CC1 382e57974f1b3878c3e0abed45ea3f80 [0,0,1,1,0,0|1,0,0]=3 792 B8R1.40 C[C@@H](CO)NC1CC1 7e427586366729fe4f61e71114561a17 [0,0,1,1,0,0|1,1,0]=4 793 B8R1.40 C[C@H](C=O)OC1CC1 0bd45590cb6813e5f06145925c580d8f [0,0,1,1,0,0|0,1,1]=4 794 B8R1.40 C[C@H](CO)NC1CC1 3cceec23b2cf4de9d69e8ea47c15666a [0,0,1,1,0,0|1,1,0]=4 795 B8R1.40 C[C@H](CS)OC1CC1 50918c01cc5c7ddcaaabeee7f9e80488 [0,0,1,1,0,0|0,0,0]=2 796 B8R1.42 CC(C)NC1(CC1)C 7a8a390875d91770b0cf03a65134594a [0,0,1,1,0,0|2,0,0]=4 797 B8R1.53 CCN1CC(C1)(C)O 61cbf2748eb0f902c8f332d7ca75d4ca [0,0,1,1,0,0|2,0,0]=4 798 B8R1.13 CC1OCC1OCF e46845c06828f99608f10143766c1908 [0,0,1,1,0,0|1,1,0]=4 799 B8R1.13 CCNC1CCC1F 1ca365aa3a03dba2f96f4cadc68f780e [0,0,1,1,0,0|2,0,0]=4 800 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,0,1,1,0,0|1,1,0]=4 801 B8R1.13 CCNC1COC1C 374ee97892517da30cf5002a479f4531 [0,0,1,1,0,0|1,1,0]=4 802 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,0,1,1,0,0|1,1,0]=4 803 B8R1.13 CCN[C@@H]1CC[C@H]1C b2a7a1306f6d284a439c237328784f14 [0,0,1,1,0,0|2,0,0]=4 804 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,0,1,1,0,0|1,1,0]=4 805 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,0,1,1,0,0|1,1,0]=4 806 B8R1.13 CCN[C@H]1CC[C@H]1C afc3ebb3c9df554bbf3e4778dd720d68 [0,0,1,1,0,0|2,0,0]=4 807 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,0,1,1,0,0|1,1,0]=4 808 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,0,1,1,0,0|0,1,1]=4 809 B8R1.13 CCOC1COC1C 292e3380dc65ec96d8cfb63b3a1d4796 [0,0,1,1,0,0|0,1,0]=3 810 B8R1.27 CCNC1CC1(C)C 377200e905bd427dd476cb502c8985e2 [0,0,1,1,0,0|2,0,0]=4 811 B8R1.27 CCN[C@@H]1CC1(C)C 4b31feb8a82d17b08f36ac488ea58a04 [0,0,1,1,0,0|2,0,0]=4 812 B8R1.27 CCN[C@H]1CC1(C)C 5da310dc656323b6a5464b290f757f38 [0,0,1,1,0,0|2,0,0]=4 813 B8R1.27 CCOC1CC1(F)F 98d700a48739bd454e7a0a4ec4eaf010 [0,0,1,1,0,0|2,0,0]=4 814 B8R1.37 CC(OCF)C1CC1 fdfda646e62029811343f42e17866105 [0,0,1,1,0,0|2,0,0]=4 815 B8R1.37 CCN[C@@H](C)C1CC1 85a51bcbc9c68e01caf4bec9670fa8b0 [0,0,1,1,0,0|2,0,0]=4 816 B8R1.37 CCN[C@H](C)C1CC1 dec2ed19b3db3f3a8d17077be18767e3 [0,0,1,1,0,0|2,0,0]=4 817 B8R1.37 CCOC(C)C1CC1 526fc3f0c823fc41b9199d1aa6541386 [0,0,1,1,0,0|1,0,0]=3 818 B8R1.37 CCO[C@@H](C)C1CC1 b9ad01da095d4dd4d383aa1d3c7eee6a [0,0,1,1,0,0|1,0,0]=3 819 B8R1.37 CCO[C@H](C)C1CC1 9827b3948c8d24070570177d9e2b7efe [0,0,1,1,0,0|1,0,0]=3 820 B8R1.37 C[C@@H](OCF)C1CC1 0b8c2a64c96de3b0209f5e698fd7dcff [0,0,1,1,0,0|2,0,0]=4 821 B8R1.37 C[C@H](OCF)C1CC1 dd71818f1bf1adfa35802aaa479603bf [0,0,1,1,0,0|2,0,0]=4 822 B8R1.6 CC1CC(C1)OCF b80ea014f54888f62d0ee22b52170730 [0,0,1,1,0,0|2,0,0]=4 823 B8R1.6 CCNC1CC(C1)F 285ffeb49947ca9ecfba515c76e7f9dd [0,0,1,1,0,0|2,0,0]=4 824 B8R1.6 CCNC1CC(C1)O ff109cf0f4e20ca9c93dd5c4ca790b90 [0,0,1,1,0,0|1,1,0]=4 825 B8R1.6 CCN[C@H]1C[C@@H](C1)F 4436755972f56b5589dded34e941f83d [0,0,1,1,0,0|2,0,0]=4 826 B8R1.6 CCN[C@H]1C[C@@H](C1)O ff7552bab4d1f2f4dc4f733d9dc54eaf [0,0,1,1,0,0|1,1,0]=4 827 B8R1.6 CCN[C@H]1C[C@H](C1)F b1e8a42a553129f9c516d00cf51dafb2 [0,0,1,1,0,0|2,0,0]=4 828 B8R1.6 CCN[C@H]1C[C@H](C1)O 951190e7ba8081e7d4167c17721dec43 [0,0,1,1,0,0|1,1,0]=4 829 B8R1.6 CCOC1CC(=O)C1 7245371a51b98874574252c09e474e49 [0,0,1,1,0,0|0,1,1]=4 830 B8R1.6 CCOC1CC(C1)C 67b3f93a8ec637ab1677a5244b5d5ac6 [0,0,1,1,0,0|1,0,0]=3 831 B8R1.6 CCOC1CC(C1)F 477477cd5ae524e7ec653702a607b82d [0,0,1,1,0,0|1,0,0]=3 832 B8R1.6 CCOC1CN(C1)C 8db20e7e0e27f967e1e5f1c35979afc5 [0,0,1,1,0,0|2,0,0]=4 833 B8R1.6 CCO[C@H]1C[C@@H](C1)F 4d0f90d423ad0f13c1d6efb260a96866 [0,0,1,1,0,0|1,0,0]=3 834 B8R1.6 CCO[C@H]1C[C@H](C1)F 78a70dff2abfb804b6b22550ffaf11eb [0,0,1,1,0,0|1,0,0]=3 835 B8R1.6 FCOC1CC(C1)F 169e37c1474a4a1316cf91d1be76a421 [0,0,1,1,0,0|2,0,0]=4 836 B8R1.6 FCO[C@H]1C[C@@H](C1)F d5fe3142af8ad18345e191bae38df786 [0,0,1,1,0,0|2,0,0]=4 837 B8R1.6 FCO[C@H]1C[C@H](C1)F 139d6d389cd6a0b1c264eb55ef5051bf [0,0,1,1,0,0|2,0,0]=4 838 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,0,1,1,0,0|2,0,0]=4 839 B8R1.8 CCNC1CCCC1 abbec96cb7bed76391f8cd34a2b780b6 [0,0,1,1,0,0|2,0,0]=4 840 B8R1.8 CCNC1CCOC1 737206c874ca44bb4105f186d98dceaf [0,0,1,1,0,0|1,1,0]=4 841 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [0,0,1,1,0,0|1,0,0]=3 842 B8R1.8 CCN[C@@H]1CCOC1 ea8be35858401c72a252c54227d785a4 [0,0,1,1,0,0|1,1,0]=4 843 B8R1.8 CCN[C@H]1CCOC1 769c9e7ca3f3567a61b1df1f6a912b2d [0,0,1,1,0,0|1,1,0]=4 844 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,0,1,1,0,0|1,0,1]=4 845 B8R1.8 CCOC1CC=CC1 e0d02274580f3ec492bcb66ee71bce9b [0,0,1,1,0,0|1,0,1]=4 846 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,1,1,0,0|1,0,0]=3 847 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,0,1,1,0,0|2,0,0]=4 848 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [0,0,1,1,0,0|0,1,0]=3 849 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,0,1,1,0,0|0,0,0]=2 850 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [0,0,1,1,0,0|0,1,0]=3 851 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,0,1,1,0,0|0,0,0]=2 852 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [0,0,1,1,0,0|0,1,0]=3 853 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,0,1,1,0,0|0,0,0]=2 854 B8R1.8 FCNC1CCSC1 37f1dd3a90121407b902e1f5d50fa4ed [0,0,1,1,0,0|2,0,0]=4 855 B8R1.8 FCOC1CCCC1 3a18d808c8ea803a7e2173107aa8436c [0,0,1,1,0,0|2,0,0]=4 856 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,0,1,1,0,0|2,0,0]=4 857 B8R1.8 FCOC1CCOC1 dd266c2430124fff3fce691c18e28234 [0,0,1,1,0,0|1,1,0]=4 858 B8R1.8 FCOC1CCSC1 f8f6f296ad6ade850e96ba039dea79ec [0,0,1,1,0,0|1,0,0]=3 859 B8R1.8 FCO[C@@H]1CCOC1 2f0a74cb641694e38feb66e5e3e7011f [0,0,1,1,0,0|1,1,0]=4 860 B8R1.8 FCO[C@@H]1CCSC1 167bc92bd5239abe1a03b8937d910bee [0,0,1,1,0,0|1,0,0]=3 861 B8R1.8 FCO[C@H]1CCOC1 60d51a47377d177f8c280d0a99b59886 [0,0,1,1,0,0|1,1,0]=4 862 B8R1.8 FCO[C@H]1CCSC1 2d17ed5a52b01d81f24848fd9cde0e5b [0,0,1,1,0,0|1,0,0]=3 863 B8R1.8 OCNC1CCSC1 520716c40740b9955fcb51f1f158ca19 [0,0,1,1,0,0|2,0,0]=4 864 B8R1.17 CCN[C@@H]1C[C@H]1CO c991f405527e08b4abe26f3d6bd7d92e [0,0,1,1,0,0|1,1,0]=4 865 B8R1.17 CCN[C@H]1C[C@@H]1CO d93fb9f99117a23c36b2f60e194eb48e [0,0,1,1,0,0|1,1,0]=4 866 B8R1.17 CCN[C@H]1C[C@H]1CO f237d8ef348614af40e98559a71868ed [0,0,1,1,0,0|1,1,0]=4 867 B8R1.66 CCNC1(CCC1)C 1f8051d2bf871e5f84e9fcb0672c3f92 [0,0,1,1,0,0|2,0,0]=4 868 B8R0.9 C#CC(C)OCC(C)C 4e1770b79e2f61d0e14aeb5599c8e220 [0,0,1,0,0,1|1,0,1]=4 869 B8R0.9 C#C[C@@H](C)OCC(C)C 17261cccf0d6bcb756dde6b084074aff [0,0,1,0,0,1|1,0,1]=4 870 B8R0.9 C#C[C@H](C)OCC(C)C f2136a220d3845725721b2d249ed75d8 [0,0,1,0,0,1|1,0,1]=4 871 B8R0.9 C=C(C)COC(C)CS b01434085727d0e876ca2f7f806d8f57 [0,0,1,0,0,1|0,0,2]=4 872 B8R0.9 C=C(C)CO[C@H](C)CS ddea732e335cb41581925717666dd076 [0,0,1,0,0,1|0,0,2]=4 873 B8R0.9 C=CC(C)COC(C)C 19cf5fe9d616c2621a235c9cc79e808d [0,0,1,0,0,1|1,0,1]=4 874 B8R0.9 C=CC(C)OCC(C)C 71af5c71e84583a0ab5121668b3ae2e9 [0,0,1,0,0,1|1,0,1]=4 875 B8R0.9 C=C[C@H](C)OCC(C)C 275b6c20fe3580ee4a4871d9838c8c79 [0,0,1,0,0,1|1,0,1]=4 876 B8R0.9 CC(C#N)COC(C)C 2586ebb2d77f079fde62eb5fcd3c4e5c [0,0,1,0,0,1|1,0,1]=4 877 B8R0.9 CC(C)CNC(C)CO aeb39a69125a8116b2d666aabffee368 [0,0,1,0,0,1|1,1,0]=4 878 B8R0.9 CC(C)CN[C@@H](C)CO a48e86d82c35fbf8dc46c7829eb1eaf7 [0,0,1,0,0,1|1,1,0]=4 879 B8R0.9 CC(C)CN[C@H](C)CO de58f1f480131f7b21c40f2c3fccea42 [0,0,1,0,0,1|1,1,0]=4 880 B8R0.9 CC(C)COC(C)C#N 37989be70a7658fa594d9e70d9881daf [0,0,1,0,0,1|1,0,1]=4 881 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [0,0,1,0,0,1|0,1,1]=4 882 B8R0.9 CC(C)COC(C)CF 0be8e06678504191ee4b6626cac08c2c [0,0,1,0,0,1|1,0,0]=3 883 B8R0.9 CC(C)COC(C)CS cb10ee8a511da43c5e6113f578a84515 [0,0,1,0,0,1|0,0,0]=2 884 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [0,0,1,0,0,1|0,1,1]=4 885 B8R0.9 CC(C)CO[C@H](C)CS 7373a4fac1ad6f05f5272187b0df6f4e [0,0,1,0,0,1|0,0,0]=2 886 B8R0.9 CC(C)NC[C@H](C)CO e9adf2a77c54dea0e47e774e7144a50c [0,0,1,0,0,1|1,1,0]=4 887 B8R0.9 CC(C)OCC(Br)CBr 6d1bf3b075957d7631a5bda8a5b311de [0,0,1,0,0,1|2,0,0]=4 888 B8R0.9 CC(C)OCC(Cl)CCl 2bba0a1995aba4d0bfb03e3b7feb705a [0,0,1,0,0,1|2,0,0]=4 889 B8R0.9 CC(C)OCC(O)CO 0e89e061c2e4cf11ff7262059210fdde [0,0,1,0,0,1|1,1,0]=4 890 B8R0.9 CC(C)OCC(S)CS 0450a00653980b07d552e8842ebfd89b [0,0,1,0,0,1|1,0,0]=3 891 B8R0.9 CC(C)OC[C@@H](O)CO 3849c2737d80ec90a6ea6c8da3ef06fb [0,0,1,0,0,1|1,1,0]=4 892 B8R0.9 CC(C)OC[C@H](O)CO 24bdf2b3dd73700f7d482e7b53b23924 [0,0,1,0,0,1|1,1,0]=4 893 B8R0.9 CC(CF)OCN(C)C bd507a682a3af2cf9d7ee7a622f6887d [0,0,1,0,0,1|2,0,0]=4 894 B8R0.9 CC(CO)CNC(C)C 8a23f9be65dcc9a39c28dfdb6031b0d4 [0,0,1,0,0,1|1,1,0]=4 895 B8R0.9 CC(CO)NC[C@@H](C)O b3b457ca8971b770f5960d70ecaa3b4d [0,0,1,0,0,1|2,0,0]=4 896 B8R0.9 CC(CO)NC[C@H](C)O 4b77979cdca58e53e46d0a0730b80eb6 [0,0,1,0,0,1|2,0,0]=4 897 B8R0.9 CC(CS)OCC(F)F 727decd64cc599ec0b7b5063baa5abdf [0,0,1,0,0,1|2,0,0]=4 898 B8R0.9 CC(CS)OCN(C)C 45c0b02ae0d796dc40d023c25f60c2fb [0,0,1,0,0,1|1,0,0]=3 899 B8R0.9 CC(O)CNC(C)CO a1b9fd4e4c8e5407d8f4c38ea7432000 [0,0,1,0,0,1|2,0,0]=4 900 B8R0.9 CC(O)CN[C@@H](C)CO fa8ddd2915181b209ca8cd0f4cac931d [0,0,1,0,0,1|2,0,0]=4 901 B8R0.9 CC(O)CN[C@H](C)CO 0a4874882b4a2730c218e76ea399d233 [0,0,1,0,0,1|2,0,0]=4 902 B8R0.9 CCC(=O)NCC(C)O a0cefa62fd20423cdc1bf66278a42129 [0,0,1,0,0,1|0,1,1]=4 903 B8R0.9 CCC(=O)NC[C@@H](C)O a391cc3778995f10350211a29d249a09 [0,0,1,0,0,1|0,1,1]=4 904 B8R0.9 CCC(=O)NC[C@H](C)O 700448fc71267e87914b635955ddeec8 [0,0,1,0,0,1|0,1,1]=4 905 B8R0.9 CCC(C)CNC(C)C 9b22fec9421f72c4c7069f08eeceb961 [0,0,1,0,0,1|2,0,0]=4 906 B8R0.9 CCC(C)COC(C)C 89140aa94488bac2672b51951396900c [0,0,1,0,0,1|1,0,0]=3 907 B8R0.9 CCC(C)NCC(C)C 0af4d6f3dad4a1fd6ba7feec2c98edc9 [0,0,1,0,0,1|2,0,0]=4 908 B8R0.9 CCC(C)NCC(C)O 04be39588a5f09c70c74f1ca60cd63ac [0,0,1,0,0,1|1,0,0]=3 909 B8R0.9 CCC(C)NC[C@@H](C)O 6e798d5c3d31a8f8773bcdb1d14bb58f [0,0,1,0,0,1|1,0,0]=3 910 B8R0.9 CCC(C)NC[C@H](C)O b6ed82170374565ef8a62802ade9580c [0,0,1,0,0,1|1,0,0]=3 911 B8R0.9 CCC(C)OCC(C)C 94adce536ef43774d73b8b91df56b54a [0,0,1,0,0,1|1,0,0]=3 912 B8R0.9 CCC(C)OCC(C)F 86be792ac47322b60f5884dee7e7f674 [0,0,1,0,0,1|2,0,0]=4 913 B8R0.9 CCC(C)OCC(C)S 5ab58589f526e3be72d839617a185ef8 [0,0,1,0,0,1|1,1,0]=4 914 B8R0.9 CCC(C)OCN(C)C a7e5fe9e74042b38f34d05eca25d0bbd [0,0,1,0,0,1|2,0,0]=4 915 B8R0.9 CCC(C)OC[C@@H](C)F 500b158e44a340e901d363fe297442a0 [0,0,1,0,0,1|2,0,0]=4 916 B8R0.9 CCC(C)OC[C@H](C)F dabe59364c55cabe8959691cbb4cbce5 [0,0,1,0,0,1|2,0,0]=4 917 B8R0.9 CCC(O)CNC(C)C 71d0e78d5d3d6ddfb7afb7fb5ab010cd [0,0,1,0,0,1|1,1,0]=4 918 B8R0.9 CCN(C)CCC(C)O 4308bf1a991d7ca66cadc45942e7cdad [0,0,1,0,0,1|2,0,0]=4 919 B8R0.9 CCN(C)COC(C)C c76477936d8325c56039131b6365e961 [0,0,1,0,0,1|2,0,0]=4 920 B8R0.9 CC[C@@H](C)COC(C)C dc0c1657b56896a2f1684dba0e5f4146 [0,0,1,0,0,1|1,0,0]=3 921 B8R0.9 CC[C@@H](C)NCC(C)C a85721f9bf2f20f81d144de1a37e6fff [0,0,1,0,0,1|2,0,0]=4 922 B8R0.9 CC[C@@H](C)NCC(C)O 2677141b66bad4e2c96cd57b714806ea [0,0,1,0,0,1|1,0,0]=3 923 B8R0.9 CC[C@@H](C)NC[C@@H](C)O 259bc8325537e1de1a944df75fdf21f1 [0,0,1,0,0,1|1,0,0]=3 924 B8R0.9 CC[C@@H](C)NC[C@H](C)O 939311d357bc0680fabba2ce4e70d859 [0,0,1,0,0,1|1,0,0]=3 925 B8R0.9 CC[C@@H](C)OCC(C)C 555334e47789bc366cc5b9b7c24f502e [0,0,1,0,0,1|1,0,0]=3 926 B8R0.9 CC[C@@H](C)OCN(C)C 8cb60f33f7a6d9ee1c3ef80f0ce6df60 [0,0,1,0,0,1|2,0,0]=4 927 B8R0.9 CC[C@@H](O)CNC(C)C 0b13dd23b5427cc29a52929b73be7d43 [0,0,1,0,0,1|1,1,0]=4 928 B8R0.9 CC[C@H](C)CNC(C)C 51bac89f8a94c583d3620c5691a65724 [0,0,1,0,0,1|2,0,0]=4 929 B8R0.9 CC[C@H](C)COC(C)C 4c1bf27a91b2a1be4e163836e33843e7 [0,0,1,0,0,1|1,0,0]=3 930 B8R0.9 CC[C@H](C)NCC(C)C 3e34629dbba78b6d192ded3bac89ba6f [0,0,1,0,0,1|2,0,0]=4 931 B8R0.9 CC[C@H](C)NCC(C)O 99099c99fd14ec2545d713f92de4a778 [0,0,1,0,0,1|1,0,0]=3 932 B8R0.9 CC[C@H](C)NC[C@@H](C)O 12a96eae09dd452a73c94b544346a630 [0,0,1,0,0,1|1,0,0]=3 933 B8R0.9 CC[C@H](C)NC[C@H](C)O 4c33e4d27654f70efbcc25d8010eeae9 [0,0,1,0,0,1|1,0,0]=3 934 B8R0.9 CC[C@H](C)OCC(C)C 5cf0f20f2e3b8b673a5127012ceee597 [0,0,1,0,0,1|1,0,0]=3 935 B8R0.9 CC[C@H](C)OCN(C)C 2bfce71e0693bec63b19a91f66cb8392 [0,0,1,0,0,1|2,0,0]=4 936 B8R0.9 COC(C)COC(C)C e0f36ed0d37cc72967fbcb31b176fbbc [0,0,1,0,0,1|2,0,0]=4 937 B8R0.9 CO[C@@H](C)COC(C)C e5a767f401763c27f1a4b5f4477a554e [0,0,1,0,0,1|2,0,0]=4 938 B8R0.9 CO[C@H](C)COC(C)C c1851bedfec20c17d08aaba18efdab41 [0,0,1,0,0,1|2,0,0]=4 939 B8R0.9 C[C@@H](O)CN[C@@H](C)CO 3ae1deb582924f94cf5f62861ba15598 [0,0,1,0,0,1|2,0,0]=4 940 B8R0.9 C[C@H](CO)NC[C@@H](C)O 0c791e5e7d94d2a38d5f859dad7628f0 [0,0,1,0,0,1|2,0,0]=4 941 B8R0.9 C[C@H](CS)OCC(F)F e5a17671aebccd407dd8a8396cf4d08c [0,0,1,0,0,1|2,0,0]=4 942 B8R0.9 C[C@H](CS)OCN(C)C 40df9af3b5fa009ffb2354d4290a87f9 [0,0,1,0,0,1|1,0,0]=3 943 B8R0.9 C[C@H](O)CN[C@@H](C)CO ccedc2ee6039e5ae689a515db1821b9d [0,0,1,0,0,1|2,0,0]=4 944 B8R0.9 C[C@H](O)CN[C@H](C)CO 16e70066eda8e6ba0018098e6ed94053 [0,0,1,0,0,1|2,0,0]=4