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[0,1,0,0,0,0|2,0,1]=4 13 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,1,0,0,0,0|2,0,1]=4 14 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,1,0,0,0,0|1,1,1]=4 15 B7R0.5 CC(C)[C@@H](C)NCF b41e18f15d7a7a980d0fe6a1eba98267 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,1,0,0,0,0|2,0,1]=4 17 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,1,0,0,0,0|1,1,1]=4 18 B7R0.5 CC(C)[C@H](C)NCF e48701e9d3440c0ecd05eac322b8d2d3 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,1,0,0,0,0|1,1,1]=4 21 B7R0.5 CC(NC#N)C(=O)N ac65e4a211d66fd767be0e1f95765b62 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.5 CC(NC#N)C(=O)O 392de9697c4a5dcddc67adbe8abaabb3 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.5 CC(NC=O)C(=O)N 46e3df0da90011f803541e030709e2d3 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.5 CC(NCF)C(=O)N f0a5cc6cd244223372790316f7e61f94 [0,1,0,0,0,0|2,0,0]=3 25 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,1,0,0,0,0|2,0,0]=3 26 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,1,0,0,0,0|2,0,0]=3 27 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,1,0,0,0,0|2,0,0]=3 28 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,1,0,0,0,0|1,0,2]=4 29 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,1,0,0,0,0|1,0,2]=4 30 B7R0.5 CC(OCF)C(=O)N 6a877ba17ca7a0aa924ab8a787d3d31c [0,1,0,0,0,0|1,1,0]=3 31 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,1,0,0,0,0|1,1,0]=3 32 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,1,0,0,0,0|0,2,1]=4 33 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,1,0,0,0,0|2,0,0]=3 34 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,1,0,0,0,0|2,0,0]=3 35 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,1,0,0,0,0|2,0,0]=3 36 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,1,0,0,0,0|2,0,1]=4 37 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,1,0,0,0,0|1,0,2]=4 38 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,1,0,0,0,0|2,0,0]=3 40 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,1,0,0,0,0|2,0,0]=3 41 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,1,0,0,0,0|2,0,1]=4 42 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,1,0,0,0,0|2,0,0]=3 43 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,1,0,0,0,0|0,1,0]=2 46 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,1,0,0,0,0|1,1,0]=3 47 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,1,0,0,0,0|1,1,0]=3 48 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,1,0,0,0,0|1,1,1]=4 49 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,1,0,0,0,0|0,2,1]=4 50 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,1,0,0,0,0|1,1,0]=3 51 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,1,0,0,0,0|1,1,0]=3 52 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,1,0,0,0,0|1,1,1]=4 53 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,1,0,0,0,0|1,1,0]=3 54 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,1,0,0,0,0|1,1,0]=3 55 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,1,0,0,0,0|1,1,1]=4 56 B7R0.5 CSCN(C)C(C)C 6bade958cb762672bfe3ad82fb307ca1 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.5 C[C@@H](NC#N)C(=O)N 9dc03a86a4b5badcc8711792752934ee [0,1,0,0,0,0|2,0,1]=4 58 B7R0.5 C[C@@H](NC#N)C(=O)O e0e1898c2dc69a65dfbe178be463caf4 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.5 C[C@@H](NC=O)C(=O)N b3f27251f3a1b388bbd3114e372f5d22 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.5 C[C@@H](NCF)C(=O)N fc8e15aaec185b1ab510ce9a3e07d389 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.5 C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,1,0,0,0,0|1,1,0]=3 65 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,1,0,0,0,0|1,1,0]=3 66 B7R0.5 C[C@H](NC#N)C(=O)N d3e535a73ffb5f5f8cce46f54c0d5583 [0,1,0,0,0,0|2,0,1]=4 67 B7R0.5 C[C@H](NC#N)C(=O)O 001f1128fc667ba9af909598a06ab98b [0,1,0,0,0,0|2,0,1]=4 68 B7R0.5 C[C@H](NC=O)C(=O)N 16bf5f670688c6b3e99af2484506540e [0,1,0,0,0,0|2,0,1]=4 69 B7R0.5 C[C@H](NCF)C(=O)N ec9ad2764694c43582e2759286389cce [0,1,0,0,0,0|2,0,0]=3 70 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,1,0,0,0,0|2,0,0]=3 72 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,1,0,0,0,0|2,0,0]=3 73 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,1,0,0,0,0|1,1,0]=3 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54aaf1a54644f658afd3f400769d8763 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,1,0,0,0,0|2,0,0]=3 88 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,1,0,0,0,0|2,0,0]=3 89 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,1,0,0,0,0|2,0,1]=4 91 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,1,0,0,0,0|3,0,0]=4 92 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,1,0,0,0,0|3,0,0]=4 93 B7R0.16 CC(=O)N(C)C(C)C 68e786e7c5c4f60e8b7c36108316ab9e [0,1,0,0,0,0|2,0,0]=3 94 B7R1.18 CC(=O)N1CCC1 8143f596a7f046e54d5db8a61549ab26 [0,0,0,1,0,0|2,0,0]=3 95 B7R0.2 C#CC(C)NC(=O)C 30a91f9e689320cab67e7176279a027a [0,0,0,0,0,1|1,0,1]=3 96 B7R0.2 C#C[C@@H](C)NC(=O)C b5f4cb4c2ca82f0d4e132f2977db08a6 [0,0,0,0,0,1|1,0,1]=3 97 B7R0.2 C#C[C@H](C)NC(=O)C adfc3d71c946a289355ab55f3775ec5f [0,0,0,0,0,1|1,0,1]=3 98 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,0,0,0,0,1|3,0,0]=4 99 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,0,0,0,0,1|1,0,1]=3 100 B7R0.2 CC(=O)NC(C)C#N 5c82a898464bc97e12136e75988ac4b5 [0,0,0,0,0,1|2,0,0]=3 101 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,0,0,0,0,1|2,0,0]=3 102 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,0,0,0,0,1|2,0,0]=3 103 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,0,0,0,0,1|2,0,0]=3 104 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,0,0,0,0,1|1,0,0]=2 105 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,0,0,0,0,1|2,0,1]=4 106 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,0,0,0,0,1|2,0,1]=4 107 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,0,0,0,0,1|3,0,0]=4 108 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,0,0,0,0,1|3,0,0]=4 109 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,0,0,0,0,1|1,0,0]=2 110 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,0,0,0,0,1|2,0,1]=4 111 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,0,0,0,0,1|2,0,1]=4 112 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,0,0,0,0,1|1,0,0]=2 113 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,0,0,0,0,1|2,0,1]=4 114 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,0,0,0,0,1|2,0,1]=4 115 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [1,1,0,0,0,0|2,0,0]=4 116 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [1,1,0,0,0,0|2,0,0]=4 117 B6R0.4 C#CCNC(=O)C 4ea0ed9dc6fd35fd030056afb0c47f4f [1,1,0,0,0,0|1,0,1]=4 118 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|2,0,0]=4 119 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [1,1,0,0,0,0|2,0,0]=4 120 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [1,1,0,0,0,0|2,0,0]=4 121 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|1,1,0]=4 122 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [1,1,0,0,0,0|1,1,0]=4 123 B6R0.4 CC(=O)CNC=O 799a78176c711722415c8986d9015770 [1,1,0,0,0,0|1,0,1]=4 124 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [1,1,0,0,0,0|1,0,0]=3 125 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [1,1,0,0,0,0|1,0,0]=3 126 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [1,1,0,0,0,0|0,1,0]=3 127 B6R0.4 CC(=O)NCC#N 06834e3e3e893456bdb75cd1758cd048 [1,1,0,0,0,0|2,0,0]=4 128 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [1,1,0,0,0,0|2,0,0]=4 129 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [1,1,0,0,0,0|2,0,0]=4 130 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [1,1,0,0,0,0|2,0,0]=4 131 B6R0.4 CC(=O)NCCO c7b03ecf194f0f03f4d08fd319920ef5 [1,1,0,0,0,0|2,0,0]=4 132 B6R0.4 CC(=O)NCCS 3cdd66626928bc1a9bac11e682b344a1 [1,1,0,0,0,0|2,0,0]=4 133 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [1,1,0,0,0,0|1,0,0]=3 134 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [1,1,0,0,0,0|1,0,0]=3 135 B6R0.4 CCNCC(=O)N 9af72e08b410c4df60bd96241a267974 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [1,1,0,0,0,0|0,1,0]=3 138 B6R0.4 CCOCC(=O)N 8c3995d7bbe4bbb5793da2590cf6473e [1,1,0,0,0,0|1,1,0]=4 139 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|1,1,0]=4 140 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [1,1,0,0,0,0|1,0,1]=4 141 B6R0.4 NC(=O)CNCF 1d1f788bdfbf1bf0db2a27d18231d6bd [1,1,0,0,0,0|2,0,0]=4 142 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [1,1,0,0,0,0|2,0,0]=4 143 B6R0.4 NC(=O)COCF 5fb009cd2e813c9f1f9e35766b0ec8cb [1,1,0,0,0,0|1,1,0]=4 144 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [1,1,0,0,0,0|2,0,0]=4 145 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [1,1,0,0,0,0|1,1,0]=4 147 B8R0.2 CC(=O)N(C)C(C)CO 954909c32608c887b20279d0f2f3780c [0,1,0,0,0,1|2,0,0]=4 148 B8R0.2 CC(=O)N(C)[C@@H](C)CO 225dc8a4ffcea4cd61a90a38a4080118 [0,1,0,0,0,1|2,0,0]=4 149 B8R0.2 CC(=O)N(C)[C@H](C)CO de33b62e9836c68164793809e4e8e5b1 [0,1,0,0,0,1|2,0,0]=4 150 B8R0.2 CCC(C)N(C)C(=O)C 086f7eb815f719734067083abba6aada [0,1,0,0,0,1|1,0,0]=3 151 B8R0.2 CCN(C)C(=O)C(=O)C f60b3512bf731817ed8f594771284a74 [0,1,0,0,0,1|2,0,0]=4 152 B8R0.2 CCN(C)C(C)C(=O)C b0aebe8e13e2528b49b039e15b578c7c [0,1,0,0,0,1|2,0,0]=4 153 B8R0.5 CC(=O)NC(C)CC#N 4c1eec26fa88af811b86b8c3ab1a2be6 [0,1,0,0,0,1|1,0,1]=4 154 B8R0.5 CC(=O)NC(C)CCO 31015bb8805fb64762d130a6b4b7d734 [0,1,0,0,0,1|1,0,0]=3 155 B8R0.5 CC(=O)N[C@@H](C)CCO 4818866c214b230552dc5531d2d7dacb [0,1,0,0,0,1|1,0,0]=3 156 B8R0.5 CC(=O)N[C@H](C)CCO d4f1175f550aed36e673eb7917598f76 [0,1,0,0,0,1|1,0,0]=3 157 B8R0.5 CC(=O)OC(C)NC#N 7ce6bed850925e5320101ab8e2b6e4e9 [0,1,0,0,0,1|1,0,1]=4 158 B8R0.5 CC(CC(=O)N)OCF 3e264f2c27636c1a0f540c1f468797f4 [0,1,0,0,0,1|1,1,0]=4 159 B8R0.5 CC(CC(=O)O)NCF 84d4be16e4ac304aaa68ed4d36823324 [0,1,0,0,0,1|2,0,0]=4 160 B8R0.5 CC(CC(=O)O)NCO 10996b09f91fab84edb45bd9880e2318 [0,1,0,0,0,1|2,0,0]=4 161 B8R0.5 CC(CC(=O)O)OCF 14e16352da0b978e8e37b50cbc803026 [0,1,0,0,0,1|1,1,0]=4 162 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,1,0,0,0,1|1,0,0]=3 163 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,1,0,0,0,1|1,0,0]=3 164 B8R0.5 CCNC(C)CC(=O)O 29ac9bd89e468a34801bb550215ba942 [0,1,0,0,0,1|2,0,0]=4 165 B8R0.5 CCN[C@@H](C)CC(=O)O 40a529d5929c8901c8f2b9599ed898cd [0,1,0,0,0,1|2,0,0]=4 166 B8R0.5 CCN[C@H](C)CC(=O)O 2f28d4f7bc57f1ad1bf5a4eebcdf11f3 [0,1,0,0,0,1|2,0,0]=4 167 B8R0.5 CCOC(C)CC(=O)N a247fc098cd9bc50b0c7b9371cf4fcb5 [0,1,0,0,0,1|1,1,0]=4 168 B8R0.5 CCOC(C)CC(=O)O 20f52735b4f115013d658aa30fd851a1 [0,1,0,0,0,1|1,1,0]=4 169 B8R0.5 CCO[C@@H](C)CC(=O)O 2297bbd28bfec2b7a3315f1a1eca242e [0,1,0,0,0,1|1,1,0]=4 170 B8R0.5 CCO[C@H](C)CC(=O)O ccc8e46cafa360247330bb81a3001d13 [0,1,0,0,0,1|1,1,0]=4 171 B8R0.5 COCC(C)NC(=O)C d3030be71efb57415a6640caba792cb5 [0,1,0,0,0,1|0,1,0]=3 172 B8R0.5 COC[C@@H](C)NC(=O)C e26de4ebd7327dac480ea010b3a6df2f [0,1,0,0,0,1|0,1,0]=3 173 B8R0.5 COC[C@H](C)NC(=O)C 4d6a771b34650f584286aeb4b67fe92b [0,1,0,0,0,1|0,1,0]=3 174 B8R0.5 CSCC(C)OC(C)C f21107a5d5a62c97312908cbb5e0f355 [0,1,0,0,0,1|1,0,1]=4 175 B8R0.5 CSCN(C)CC(=O)N 95b0cce82a1be92513ca60f76f2c4e94 [0,1,0,0,0,1|2,0,0]=4 176 B8R0.5 CSCN(C)CC(=O)O f4126c72edd8ab40e4f0e1149e0c0772 [0,1,0,0,0,1|2,0,0]=4 177 B8R0.5 C[C@@H](CC(=O)O)NCF 7b4409b263377324cee992cead4d4496 [0,1,0,0,0,1|2,0,0]=4 178 B8R0.5 C[C@@H](CC(=O)O)NCO 6f9af837429cbf13d74a82abb33116db [0,1,0,0,0,1|2,0,0]=4 179 B8R0.5 C[C@@H](CC(=O)O)OCF 3a1dfbb8c5aec4e4079809a87b6b3981 [0,1,0,0,0,1|1,1,0]=4 180 B8R0.5 C[C@H](CC(=O)O)NCF 6a82f1327e74ba81c2a6e57eb4cb9aac [0,1,0,0,0,1|2,0,0]=4 181 B8R0.5 C[C@H](CC(=O)O)NCO 3ee6882c6b18b0aec7272fad595282f5 [0,1,0,0,0,1|2,0,0]=4 182 B8R0.5 C[C@H](CC(=O)O)OCF 913e08b306bc95c6771408b42aad5ed2 [0,1,0,0,0,1|1,1,0]=4 183 B8R0.16 C=C[C@@H](CO)NC(=O)C aeb66beba94c776e664bf89f304fa11b [0,1,0,0,0,1|1,0,1]=4 184 B8R0.16 CC(=O)NC(CO)CO b933289767d5f896480a48145d3e5dd9 [0,1,0,0,0,1|2,0,0]=4 185 B8R0.16 CCC(CC)NC(=O)C 4ed89f720f0f05324cf79f8a98baf869 [0,1,0,0,0,1|1,0,0]=3 186 B8R0.16 CCC(CO)NC(=O)C 0fc969f502a685ac3a30dff22859fa62 [0,1,0,0,0,1|1,0,0]=3 187 B8R0.16 CC[C@@H](CO)NC(=O)C ec21a63ea250126e0e8e11da71f403ff [0,1,0,0,0,1|1,0,0]=3 188 B8R0.16 CC[C@H](CO)NC(=O)C 6d8228e87e113704ba8a910f796088e1 [0,1,0,0,0,1|1,0,0]=3 189 B8R0.19 C#CC(=O)NC(C)CC 61d9b7eb83f4ff7eb7086f9d7e1ae285 [0,1,0,0,0,1|1,0,1]=4 190 B8R0.19 C#CC(=O)N[C@@H](C)CC e4430e1df3d27e1f60bfd6ac8cb2107b [0,1,0,0,0,1|1,0,1]=4 191 B8R0.19 C#CC(=O)N[C@H](C)CC 4b809239b5091186dfbcfe36ab818a64 [0,1,0,0,0,1|1,0,1]=4 192 B8R0.19 C#CC(C)NC(=O)CC b3d62cd02b21ed8b92bc6b4f40f79ec6 [0,1,0,0,0,1|1,0,1]=4 193 B8R0.19 C#CC(C)NC(=O)CF e8333ceaa22e2bfcb3cb2f6a7a9f649b [0,1,0,0,0,1|1,0,1]=4 194 B8R0.19 C#CC(C)NC(=O)CO 702ffb71c324a35e34d91444846fafe2 [0,1,0,0,0,1|1,0,1]=4 195 B8R0.19 C#CC(C)NC(=O)CS 5d136db82cbd1d3d5d2516021e5d1353 [0,1,0,0,0,1|1,0,1]=4 196 B8R0.19 C#C[C@@H](C)NC(=O)CC 4b8ef19bb31b8f4e485e026e78b7f5f3 [0,1,0,0,0,1|1,0,1]=4 197 B8R0.19 C#C[C@@H](C)NC(=O)CF dd6921011a643173cae3bc6615aaee23 [0,1,0,0,0,1|1,0,1]=4 198 B8R0.19 C#C[C@@H](C)NC(=O)CO 78f287368a403bf2071949db9cf15f95 [0,1,0,0,0,1|1,0,1]=4 199 B8R0.19 C#C[C@@H](C)NC(=O)CS 6d872300609bddebee6c89178f613762 [0,1,0,0,0,1|1,0,1]=4 200 B8R0.19 C#C[C@H](C)NC(=O)CC 82b030abf3ba07e5b870033df09c7669 [0,1,0,0,0,1|1,0,1]=4 201 B8R0.19 C#C[C@H](C)NC(=O)CF 6dfac9cc7db67ff9f3646003f00842b0 [0,1,0,0,0,1|1,0,1]=4 202 B8R0.19 C#C[C@H](C)NC(=O)CO 2415c234d694c139fd6864b147fc33dd [0,1,0,0,0,1|1,0,1]=4 203 B8R0.19 C#C[C@H](C)NC(=O)CS 7eb1372a3c6097baaeb3392705ab140a [0,1,0,0,0,1|1,0,1]=4 204 B8R0.19 C=C(C=O)OC(C)CC c5f7d9036a8fdea0d25979e46bb39add [0,1,0,0,0,1|1,0,1]=4 205 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,1,0,0,0,1|1,0,1]=4 206 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,1,0,0,0,1|1,0,1]=4 207 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,1,0,0,0,1|1,0,1]=4 208 B8R0.19 C=CC(C)NC(=O)CC 839432ec7d3f0e80c7881e3c8ea6f7fd [0,1,0,0,0,1|1,0,1]=4 209 B8R0.19 C=CC(C)NC(=O)CF c652d80a887d36f14a3d2448ef99a4a1 [0,1,0,0,0,1|1,0,1]=4 210 B8R0.19 C=CC(C)NC(=O)CO bfff0c86eaaef97d8840737c1dae3696 [0,1,0,0,0,1|1,0,1]=4 211 B8R0.19 C=CC(C)NC(=O)CS 228bfbee1410a32d12dd2f88d9077252 [0,1,0,0,0,1|1,0,1]=4 212 B8R0.19 CC(C#N)NC(=O)CF d445591d61b01258a3cb45a90999980a [0,1,0,0,0,1|2,0,0]=4 213 B8R0.19 CC(C#N)NC(=O)CO 1966565fed6c98aafc0894510067c50f [0,1,0,0,0,1|2,0,0]=4 214 B8R0.19 CC(C#N)NC(=O)CS 738a2f76770aff8cb902f1d745734577 [0,1,0,0,0,1|2,0,0]=4 215 B8R0.19 CC(CO)NC(=O)CF ef2266eb5061b2bffbd30285b120264a [0,1,0,0,0,1|2,0,0]=4 216 B8R0.19 CC(CO)NC(=O)CO 36e7f0a9d41f765505ec00dee787948b [0,1,0,0,0,1|2,0,0]=4 217 B8R0.19 CC(CO)NC(=O)CS 4ca68b24b40823bba6f492cc34b6d41b [0,1,0,0,0,1|2,0,0]=4 218 B8R0.19 CCC(=O)CN(C)CC 5ff470863ab78226aff558b26acaa6bb [0,1,0,0,0,1|2,0,0]=4 219 B8R0.19 CCC(=O)NC(C)C#N 12108e2444e1ebb9139d2cf557129000 [0,1,0,0,0,1|2,0,0]=4 220 B8R0.19 CCC(=O)NC(C)CC 276f63d9911911bef583b63399d6babf [0,1,0,0,0,1|1,0,0]=3 221 B8R0.19 CCC(=O)NC(C)CO 31f73ee0dabaaa5a17015c929f45f2fd [0,1,0,0,0,1|2,0,0]=4 222 B8R0.19 CCC(=O)N[C@@H](C)CC 5015556f6119dada9330f459ef8b4a95 [0,1,0,0,0,1|1,0,0]=3 223 B8R0.19 CCC(=O)N[C@@H](C)CO a3bcc6db0615cc40ae6703cd20d3dc45 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.19 CCC(=O)N[C@H](C)CC 0aeecce7ca86d9a6cf7c4003d6b8deb5 [0,1,0,0,0,1|1,0,0]=3 225 B8R0.19 CCC(=O)N[C@H](C)CO 3449d5b097ace6785d86df28155e11e4 [0,1,0,0,0,1|2,0,0]=4 226 B8R0.19 CCC(C)NC(=O)C=O d87e951102d767f8f5aa3b902ef92349 [0,1,0,0,0,1|1,0,1]=4 227 B8R0.19 CCC(C)NC(=O)CF be99e999222b335d1cb75f36b6d9cd45 [0,1,0,0,0,1|1,0,0]=3 228 B8R0.19 CCC(C)NC(=O)CO 33a44afa4449469b04b268f3719a3e59 [0,1,0,0,0,1|1,0,0]=3 229 B8R0.19 CCC(C)NC(=O)CS 2bbecd1472ce4a0c07af9c3693119c31 [0,1,0,0,0,1|1,0,0]=3 230 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,1,0,0,0,1|1,0,1]=4 231 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,1,0,0,0,1|1,0,1]=4 232 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,1,0,0,0,1|1,0,1]=4 233 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,1,0,0,0,1|1,0,1]=4 234 B8R0.19 CCN(C)CC(=O)CO cfedb43af4bce24aac2f06a8534d30e0 [0,1,0,0,0,1|2,0,0]=4 235 B8R0.19 CCN(C)CC(=O)NC 8baa1dde5886fc0147e3d3c2a9f34306 [0,1,0,0,0,1|2,0,0]=4 236 B8R0.19 CCN(C)CC(=O)OC dc6eaad4d2fa330c4e11c97ae3abe5a3 [0,1,0,0,0,1|2,0,0]=4 237 B8R0.19 CC[C@@H](C)NC(=O)C=O 21ac8ac32e78a362dc133e8e3bbda567 [0,1,0,0,0,1|1,0,1]=4 238 B8R0.19 CC[C@@H](C)NC(=O)CF 972ccf96eab46daa18ae78e952074e33 [0,1,0,0,0,1|1,0,0]=3 239 B8R0.19 CC[C@@H](C)NC(=O)CO 102bc53795a33daa61b0e6c2cdbc40e6 [0,1,0,0,0,1|1,0,0]=3 240 B8R0.19 CC[C@@H](C)NC(=O)CS 6576ffdd87c3ad0b66c846698b8c9218 [0,1,0,0,0,1|1,0,0]=3 241 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,1,0,0,0,1|1,0,1]=4 242 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,1,0,0,0,1|1,0,1]=4 243 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,1,0,0,0,1|1,0,1]=4 244 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,1,0,0,0,1|1,0,1]=4 245 B8R0.19 CC[C@H](C)NC(=O)C=O e638670223a406eb6167bccd4c1dfde1 [0,1,0,0,0,1|1,0,1]=4 246 B8R0.19 CC[C@H](C)NC(=O)CF 4effc7db6392db0aa027693c9704097d [0,1,0,0,0,1|1,0,0]=3 247 B8R0.19 CC[C@H](C)NC(=O)CO 7070ce3ef500a05442ee4538ea055e46 [0,1,0,0,0,1|1,0,0]=3 248 B8R0.19 CC[C@H](C)NC(=O)CS 035bd81fae7cc99474ceaac0a841b71d [0,1,0,0,0,1|1,0,0]=3 249 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,1,0,0,0,1|1,0,1]=4 250 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,1,0,0,0,1|1,0,1]=4 251 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,1,0,0,0,1|1,0,1]=4 252 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,1,0,0,0,1|1,0,1]=4 253 B8R0.19 C[C@@H](CO)NC(=O)CF 2c1d0a1ab5fcd3bc348406e1eae8d857 [0,1,0,0,0,1|2,0,0]=4 254 B8R0.19 C[C@@H](CO)NC(=O)CO 4ef5922646eca2409cc0528bbe495536 [0,1,0,0,0,1|2,0,0]=4 255 B8R0.19 C[C@@H](CO)NC(=O)CS ecb25931c5ecf30a1072b0ef0c850951 [0,1,0,0,0,1|2,0,0]=4 256 B8R0.19 C[C@H](CO)NC(=O)CF 47adba76c977441bf582f65bebd39947 [0,1,0,0,0,1|2,0,0]=4 257 B8R0.19 C[C@H](CO)NC(=O)CO 02a86c975d92184b3a8afd5bdd788d80 [0,1,0,0,0,1|2,0,0]=4 258 B8R0.19 C[C@H](CO)NC(=O)CS ecf3d50d57e6bb41773d96b1c96ed61c [0,1,0,0,0,1|2,0,0]=4 259 B8R0.23 CC(=O)NC(C)C(=O)N 69ea1b0fb4e1891bc844e1c81cd6f7ed [0,1,0,0,0,1|2,0,0]=4 260 B8R0.23 CC(=O)NC(C)C(C)C 44e61c71c404e93b61e4ebb2d17acd25 [0,1,0,0,0,1|1,0,0]=3 261 B8R0.23 CC(=O)NC(C)C(C)O 82d78b22fd9c1b1cb9a6f73c5b23c29f [0,1,0,0,0,1|1,0,0]=3 262 B8R0.23 CC(=O)N[C@@H](C)C(=O)N 1daed479b13f5a4dee80df6bef80207a [0,1,0,0,0,1|2,0,0]=4 263 B8R0.23 CC(=O)N[C@@H](C)C(C)C 020b2d58d09d222117d5a013059e1c42 [0,1,0,0,0,1|1,0,0]=3 264 B8R0.23 CC(=O)N[C@@H](C)C(F)F 22488b68f94b27687795c9433c1222cc [0,1,0,0,0,1|2,0,0]=4 265 B8R0.23 CC(=O)N[C@H](C)C(=O)N d4ac5a93c8007d546d5eddc7f5fb26e4 [0,1,0,0,0,1|2,0,0]=4 266 B8R0.23 CC(=O)N[C@H](C)C(C)C 1a8a59449f9523fa08b3f0d029907e07 [0,1,0,0,0,1|1,0,0]=3 267 B8R0.23 CC(=O)N[C@H](C)C(F)F 39323a7f6823bde98b326479b7aa9573 [0,1,0,0,0,1|2,0,0]=4 268 B8R0.34 C#CC(C)(C)NC(=O)C 9f96e50a81a01c0efe0ac907bd437a9c [0,1,0,0,0,1|1,0,1]=4 269 B8R0.34 CC(=O)NC(C)(C)C#N ba401c893c3540d47f30db122f75ab1e [0,1,0,0,0,1|2,0,0]=4 270 B8R0.34 CC(=O)NC(C)(C)CF a18ff32a5fc0bc819ab72e44d96d3946 [0,1,0,0,0,1|2,0,0]=4 271 B8R0.34 CC(=O)NC(C)(C)CO 79003794ec6500404906022922bddeef [0,1,0,0,0,1|2,0,0]=4 272 B8R0.34 CCC(C)(C)NC(=O)C 840c3fecba24f983e5795d9efa511b8c [0,1,0,0,0,1|1,0,0]=3 273 B8R0.3 C#CCC(=O)N(C)CC 73ca8c63a4707a0b6119f039b47faca5 [0,2,0,0,0,0|2,0,0]=4 274 B8R0.3 C/C=C/C(=O)N(C)CC 010d03e6e98c063c8118cc9246730070 [0,2,0,0,0,0|2,0,0]=4 275 B8R0.3 C=CCC(=O)N(C)CC f1b04e365d34b887e43935a62308491d [0,2,0,0,0,0|2,0,0]=4 276 B8R0.3 CC#CC(=O)N(C)CC ce7ba14c4ba78c903b518b7ba2ff9505 [0,2,0,0,0,0|2,0,0]=4 277 B8R0.3 CC(CCO)N(C)C=O 5555bcf9461e7743273bcd7e0352a154 [0,2,0,0,0,0|2,0,0]=4 278 B8R0.3 CCC(=O)C(C)NC#N 6b8a05126f6b8ceb590ab5e12295cf2c [0,2,0,0,0,0|1,0,1]=4 279 B8R0.3 CCC(=O)N(C)CCF 318a2530a556961418490c44b6c90fdd [0,2,0,0,0,0|2,0,0]=4 280 B8R0.3 CCC(=O)N(C)CCO e0dd9f4a6beab4473ee465efb09f2b8e [0,2,0,0,0,0|2,0,0]=4 281 B8R0.3 CCC(C)C(C)NC=O 4790f87f99d2631c4d7242b87ea52752 [0,2,0,0,0,0|1,0,1]=4 282 B8R0.3 CCC(C)N(C)CC=O 842637d179d388d97d4751c027c4a536 [0,2,0,0,0,0|2,0,0]=4 283 B8R0.3 CCCC(=O)N(C)CC d5f34bd9db3ccc82fc95365990f29579 [0,2,0,0,0,0|2,0,0]=4 284 B8R0.3 CCCN(C)C(=O)CC ad1ab8a0f5c07e6ab73ee22aeb9c71a9 [0,2,0,0,0,0|2,0,0]=4 285 B8R0.3 CCCN(C)C(=O)CF 080c0d4ce746cadf5e3f0d9a56835299 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.3 CCCN(C)C(=O)CO daa5d896fade5a1be51c39257fa3d5b8 [0,2,0,0,0,0|2,0,0]=4 287 B8R0.3 CCCN(C)C(=O)CS bcfb0bbfdb716f32aeb6ae13debe4701 [0,2,0,0,0,0|2,0,0]=4 288 B8R0.3 CCN(C)C(=O)CC#N dcebfd9a9f7d27a407319d1e05af0791 [0,2,0,0,0,0|2,0,0]=4 289 B8R0.3 CCN(C)C(=O)CC=O b54fcccc9e3ee76ebae8e137ce96a008 [0,2,0,0,0,0|2,0,0]=4 290 B8R0.3 CCN(C)C(=O)CCF e5a9ff21e8c2fcaad476896c3478fe71 [0,2,0,0,0,0|2,0,0]=4 291 B8R0.3 CCN(C)C(=O)CCO a768fc1ddb9cd71dd31e098b1227291c [0,2,0,0,0,0|2,0,0]=4 292 B8R0.3 CCN(C)C(=O)CCS 9063f4e5b939dc91c720aeb631377d8b [0,2,0,0,0,0|2,0,0]=4 293 B8R0.3 CCN(C)C(=O)COC bc075abf9590b9fbb9912b8588e5739b [0,2,0,0,0,0|2,0,0]=4 294 B8R0.3 CCN(C)C(=O)CON 6e0d14f683e9faf9643ea856a165130f [0,2,0,0,0,0|2,0,0]=4 295 B8R0.3 CCN(C)C(=O)CSC de841dcb44287d75dce30d4bffb7e292 [0,2,0,0,0,0|2,0,0]=4 296 B8R0.3 CCNC(C)C(=O)NC 54efcfcba9f244b93d368cc4afd291fa [0,2,0,0,0,0|1,0,0]=3 297 B8R0.3 CCOC(C)C(=O)OC 80e77c6690e50b9ea6c936f76ec2b497 [0,2,0,0,0,0|0,1,0]=3 298 B8R0.3 CCO[C@@H](C)C(=O)OC 0a1ea57ffacb6be3b6716af86dc8a3ee [0,2,0,0,0,0|0,1,0]=3 299 B8R0.3 CCO[C@H](C)C(=O)OC e42a135486ef83da240a803941dd4003 [0,2,0,0,0,0|0,1,0]=3 300 B8R0.3 CN(CCF)C(=O)CF 35c532d814bbb3a47d3ee2db2b778162 [0,2,0,0,0,0|2,0,0]=4 301 B8R0.3 CN(CCF)C(=O)CO ddf97572daeb555520ada3a08ed124af [0,2,0,0,0,0|2,0,0]=4 302 B8R0.3 CN(CCF)C(=O)CS cb4353eb02a664ba7768514381ab8f5f [0,2,0,0,0,0|2,0,0]=4 303 B8R0.3 CN(CCO)C(=O)CF 8eee296041fdc56c535d63fb7b27b7a2 [0,2,0,0,0,0|2,0,0]=4 304 B8R0.3 CN(CCO)C(=O)CO 8de638bdca0f8ac1cf08b4f0e65806cd [0,2,0,0,0,0|2,0,0]=4 305 B8R0.3 CN(CCO)C(=O)CS 797e71b888991b0f90a9d8c6273c3ef5 [0,2,0,0,0,0|2,0,0]=4 306 B8R0.3 CNC(=O)C(C)NC#N 6868266c696e604b6fc5b7e49d875ad0 [0,2,0,0,0,0|1,0,1]=4 307 B8R0.3 CNC(=O)C(C)NC=O 9d7117190711c5f26e5c1bdd92fe4ea2 [0,2,0,0,0,0|1,0,1]=4 308 B8R0.3 CNC(=O)C(C)NCF 36961f48791e8b3196a594acce9c8e8a [0,2,0,0,0,0|1,0,0]=3 309 B8R0.3 CNC(=O)C(C)NCO a34e41a62dab697e3cedeec3c087b7b0 [0,2,0,0,0,0|1,0,0]=3 310 B8R0.3 COC(=O)C(C)NC#N 0da26f030d7cbb617c3d102fad361d22 [0,2,0,0,0,0|1,0,1]=4 311 B8R0.3 COC(=O)C(C)OCF 225188b3064670e98f4e80d2140895bc [0,2,0,0,0,0|0,1,0]=3 312 B8R0.3 COC(=O)[C@@H](C)NC#N c796307ff0b9ba8fc5b9db354520dce4 [0,2,0,0,0,0|1,0,1]=4 313 B8R0.3 COC(=O)[C@@H](C)OCF 91f7505b58320e2d5e72e03fb5b0d0c5 [0,2,0,0,0,0|0,1,0]=3 314 B8R0.3 COC(=O)[C@H](C)NC#N 33f198992691a24d8b15f51815640099 [0,2,0,0,0,0|1,0,1]=4 315 B8R0.3 COC(=O)[C@H](C)OCF 1dbcfe62c201ad25840f7e5329cbdc78 [0,2,0,0,0,0|0,1,0]=3 316 B8R0.3 CSC(C)C(=O)NC#N 5bf27df404c10183f2a473362b66baf4 [0,2,0,0,0,0|0,0,1]=3 317 B8R0.3 C[C@@H](CCO)N(C)C=O 745e3e839cb6abf8e6c7990ccbf7d930 [0,2,0,0,0,0|2,0,0]=4 318 B8R0.8 C#CCCN(C)C(=O)C 3fdf2b9b619b3ddbb35b9c21b779044f [0,2,0,0,0,0|2,0,0]=4 319 B8R0.8 C#CCNC(C)C(=O)C 567e703e6a9161893158d07669a6a608 [0,2,0,0,0,0|1,0,0]=3 320 B8R0.8 C#CCNC(C)C(=O)N b2c550a5526a906ac94f581b68fe9a32 [0,2,0,0,0,0|2,0,0]=4 321 B8R0.8 C#CCNC(C)C(=O)O 4b99b7020e460036fc14906401430936 [0,2,0,0,0,0|2,0,0]=4 322 B8R0.8 C#CCN[C@@H](C)C(=O)N 716041837483c441ea60a7ae51948bf3 [0,2,0,0,0,0|2,0,0]=4 323 B8R0.8 C#CCN[C@@H](C)C(=O)O 10bbfb92e2c549f58f291f130d16578f [0,2,0,0,0,0|2,0,0]=4 324 B8R0.8 C#CCN[C@H](C)C(=O)N a502ea176cf1282028709af5779796d3 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.8 C#CCN[C@H](C)C(=O)O c45ede9d1e43611c768a8090380c1868 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.8 C#CCOC(C)C(=O)C 92d9c5c0219a15f7e11b9f6ec066d343 [0,2,0,0,0,0|0,1,0]=3 327 B8R0.8 C#CCOC(C)C(=O)N 6c3503b814067573f6ce022ff6c14c8c [0,2,0,0,0,0|1,1,0]=4 328 B8R0.8 C#CCOC(C)C(=O)O 1adaa60fa476d6dc220f161b33abd609 [0,2,0,0,0,0|1,1,0]=4 329 B8R0.8 C#CCO[C@@H](C)C(=O)N 01367606177a818740dba644d937f74a [0,2,0,0,0,0|1,1,0]=4 330 B8R0.8 C#CCO[C@@H](C)C(=O)O 79781b9b2e6b822211278354159e2687 [0,2,0,0,0,0|1,1,0]=4 331 B8R0.8 C#CCO[C@H](C)C(=O)N 77c65e7fcac557ef545612a586bc473c [0,2,0,0,0,0|1,1,0]=4 332 B8R0.8 C#CCO[C@H](C)C(=O)O 19885536196a71978196625cd8e9f2d3 [0,2,0,0,0,0|1,1,0]=4 333 B8R0.8 C=CCCN(C)C(=O)C 851a28f530c13f40a194c5bcebcd03fc [0,2,0,0,0,0|2,0,0]=4 334 B8R0.8 C=CCNC(C)C(=O)N d23d3e7d17b048913bbef97e5f4447f5 [0,2,0,0,0,0|2,0,0]=4 335 B8R0.8 C=CCNC(C)C(=O)O 4027c27acb0fdf3aaf8b355f1a408423 [0,2,0,0,0,0|2,0,0]=4 336 B8R0.8 C=CCN[C@@H](C)C(=O)N 14e80c0d6381e9fde93b9866d76ae313 [0,2,0,0,0,0|2,0,0]=4 337 B8R0.8 C=CCN[C@@H](C)C(=O)O a2a3215161cedaeb69cecc40398800bc [0,2,0,0,0,0|2,0,0]=4 338 B8R0.8 C=CCN[C@H](C)C(=O)N eb3c3df88a54e711810c3aab2f1130f0 [0,2,0,0,0,0|2,0,0]=4 339 B8R0.8 C=CCN[C@H](C)C(=O)O 9c9e167784ec1fd5265aa094a42d05d8 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.8 C=CCOC(C)C(=O)C 67a80f394e84cf94a6ded2477a1d988b [0,2,0,0,0,0|0,1,0]=3 341 B8R0.8 C=CCOC(C)C(=O)N 2c5104c1d37249d8a6858861948db0aa [0,2,0,0,0,0|1,1,0]=4 342 B8R0.8 C=CCOC(C)C(=O)O 950b3a8c28d6da5c53fb492d3fdc807b [0,2,0,0,0,0|1,1,0]=4 343 B8R0.8 C=CCO[C@@H](C)C(=O)N ace47d071d29c7c7c1633196643eb933 [0,2,0,0,0,0|1,1,0]=4 344 B8R0.8 C=CCO[C@@H](C)C(=O)O 25467a59582a2906ce4ce45146ee1287 [0,2,0,0,0,0|1,1,0]=4 345 B8R0.8 C=CCO[C@H](C)C(=O)N 1d420bc3401d279f525ddda584537dee [0,2,0,0,0,0|1,1,0]=4 346 B8R0.8 C=CCO[C@H](C)C(=O)O 0b91c4aaff97cd63715f015c1d0c9e20 [0,2,0,0,0,0|1,1,0]=4 347 B8R0.8 CC(=O)C(C)COCF c45f8ad47bb47acfc61ca43baa4a6417 [0,2,0,0,0,0|0,1,0]=3 348 B8R0.8 CC(=O)C(C)NCC#N 456b6713f365a1b6642d314cad0263c9 [0,2,0,0,0,0|1,0,0]=3 349 B8R0.8 CC(=O)C(C)NCCBr 3210bd9423ad5a5155327281550f5f25 [0,2,0,0,0,0|1,0,0]=3 350 B8R0.8 CC(=O)C(C)NCCF ddfa9965dd9a8b7bc370014a7270bc24 [0,2,0,0,0,0|1,0,0]=3 351 B8R0.8 CC(=O)C(C)NCCI a2fabb97dc000dda6bc097c4a9247332 [0,2,0,0,0,0|1,0,0]=3 352 B8R0.8 CC(=O)C(C)NCCO 2aeb3f0703a454ddc9d76e39bdb7fb76 [0,2,0,0,0,0|1,0,0]=3 353 B8R0.8 CC(=O)C(C)NCCS ec2fcb162cf9fe04c53dc8de339e343c [0,2,0,0,0,0|1,0,0]=3 354 B8R0.8 CC(=O)C(C)OCC#N 6ceb6afe72983951abf67fa79d909e5b [0,2,0,0,0,0|0,1,0]=3 355 B8R0.8 CC(=O)C(C)OCC=O b74e7c61b80a0c717901ca8c420abcfa [0,2,0,0,0,0|0,1,0]=3 356 B8R0.8 CC(=O)C(C)OCCF 2400feff3997df18334864838c96453f [0,2,0,0,0,0|0,1,0]=3 357 B8R0.8 CC(=O)C(C)OCCS 8423f1e18d91a46ab22e3647b29e1625 [0,2,0,0,0,0|0,1,0]=3 358 B8R0.8 CC(=O)N(C)CCC#N 151e9e71ecbd3af558b8b7d0c38784a7 [0,2,0,0,0,0|2,0,0]=4 359 B8R0.8 CC(=O)N(C)CCCO f1b608083519b3981f39547632d628d0 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.8 CC(=O)N(C)CCON 0222a89a982d3c098f88961a474eac69 [0,2,0,0,0,0|2,0,0]=4 361 B8R0.8 CC(CNCF)C(=O)O 81c40ac360e7f6cce7aa3313199a6d5d [0,2,0,0,0,0|2,0,0]=4 362 B8R0.8 CC(CNCO)C(=O)O e22ad5b294faf2e87974a8321cb31821 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.8 CC(COCF)C(=O)O 415e8d45727d24f32c3b9f930225f08d [0,2,0,0,0,0|1,1,0]=4 364 B8R0.8 CC(NCC#N)C(=O)N 87d01f4fc015ed09a24a5e81b41b1acb [0,2,0,0,0,0|2,0,0]=4 365 B8R0.8 CC(NCC#N)C(=O)O 7e0caa8ab91252d82a8f6abf878f244d [0,2,0,0,0,0|2,0,0]=4 366 B8R0.8 CC(NCC=O)C(=O)N 1d42c305ffe98b6316c972cab7d333c6 [0,2,0,0,0,0|2,0,0]=4 367 B8R0.8 CC(NCC=O)C(=O)O 68b69b45ee2126dd65ee50d2916637e9 [0,2,0,0,0,0|2,0,0]=4 368 B8R0.8 CC(NCCBr)C(=O)N e1b4730b5fd9d92a2dbd4fe63157cabb [0,2,0,0,0,0|2,0,0]=4 369 B8R0.8 CC(NCCF)C(=O)N 953b8e834ec847c492e06ef848bdb316 [0,2,0,0,0,0|2,0,0]=4 370 B8R0.8 CC(NCCF)C(=O)O 826059aa4ee48cb4b37668249087cac6 [0,2,0,0,0,0|2,0,0]=4 371 B8R0.8 CC(NCCI)C(=O)N 7681945bc88c2670e6d790ebc46806ce [0,2,0,0,0,0|2,0,0]=4 372 B8R0.8 CC(NCCI)C(=O)O dee732c464e42a2d1492bb4c77f9d546 [0,2,0,0,0,0|2,0,0]=4 373 B8R0.8 CC(NCCO)C(=O)N 013333cfcf1fc8f500c98b282dda89b3 [0,2,0,0,0,0|2,0,0]=4 374 B8R0.8 CC(NCCO)C(=O)O d02ed597872d2f4c546187db89f2f220 [0,2,0,0,0,0|2,0,0]=4 375 B8R0.8 CC(NCCS)C(=O)N 572f0555a75dff8d0ea622872a8a561f [0,2,0,0,0,0|2,0,0]=4 376 B8R0.8 CC(NCCS)C(=O)O c86172ae088a1a89a361e8a05cbb9a1a [0,2,0,0,0,0|2,0,0]=4 377 B8R0.8 CC(OCC#N)C(=O)N 992addf68f1c126470afa3112ae41cce [0,2,0,0,0,0|1,1,0]=4 378 B8R0.8 CC(OCC#N)C(=O)O 9e60d39e5d4e06a279fadb11fff707cb [0,2,0,0,0,0|1,1,0]=4 379 B8R0.8 CC(OCC=O)C(=O)N fb4af7c9278676830eac88903131ad15 [0,2,0,0,0,0|1,1,0]=4 380 B8R0.8 CC(OCC=O)C(=O)O f7d574d73325531577cc3be3ba579ff3 [0,2,0,0,0,0|1,1,0]=4 381 B8R0.8 CC(OCCF)C(=O)N 05325469e5b636b3a46e12613a8ebafe [0,2,0,0,0,0|1,1,0]=4 382 B8R0.8 CC(OCCF)C(=O)O 6fd5e9a19867c7867b238e7d51a1feb1 [0,2,0,0,0,0|1,1,0]=4 383 B8R0.8 CC(OCCS)C(=O)N becba3e4bd5ddd0256495d0b8cb5436f [0,2,0,0,0,0|1,1,0]=4 384 B8R0.8 CC(OCCS)C(=O)O c6314cdd016da9ce267602a4c2560a24 [0,2,0,0,0,0|1,1,0]=4 385 B8R0.8 CCCCN(C)C(=O)C 88d1b3a05bc92700007f7660d5b84e56 [0,2,0,0,0,0|2,0,0]=4 386 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,2,0,0,0,0|1,0,0]=3 387 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,2,0,0,0,0|2,0,0]=4 388 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|2,0,0]=4 389 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|2,0,0]=4 391 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,2,0,0,0,0|2,0,0]=4 392 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|2,0,0]=4 393 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,2,0,0,0,0|0,1,0]=3 394 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,2,0,0,0,0|1,1,0]=4 395 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,2,0,0,0,0|1,1,0]=4 396 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,2,0,0,0,0|1,1,0]=4 397 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,2,0,0,0,0|1,1,0]=4 398 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,2,0,0,0,0|1,1,0]=4 399 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,2,0,0,0,0|1,1,0]=4 400 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,2,0,0,0,0|2,0,0]=4 401 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,2,0,0,0,0|0,1,0]=3 404 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,2,0,0,0,0|1,1,0]=4 405 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,2,0,0,0,0|1,1,0]=4 406 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,2,0,0,0,0|1,1,0]=4 407 B8R0.8 COCCN(C)C(=O)C 1c56ee19503977f51009b726340315a1 [0,2,0,0,0,0|1,1,0]=4 408 B8R0.8 COCNC(C)C(=O)N b4b2ce7b06452726f40d29c12e1e2d45 [0,2,0,0,0,0|1,1,0]=4 409 B8R0.8 COCNC(C)C(=O)O e8a36179375a090804a3295d43a4edc8 [0,2,0,0,0,0|1,1,0]=4 410 B8R0.8 COCN[C@@H](C)C(=O)N 8b55f42ca22daaaacb13727c1eeadb78 [0,2,0,0,0,0|1,1,0]=4 411 B8R0.8 COCN[C@@H](C)C(=O)O 97f34448d198c44b13a9de86cde207b4 [0,2,0,0,0,0|1,1,0]=4 412 B8R0.8 COCN[C@H](C)C(=O)N eb2e7ecb7d7c9931c4aafa21b2d3cf84 [0,2,0,0,0,0|1,1,0]=4 413 B8R0.8 COCN[C@H](C)C(=O)O aa63150e151b1d92e3b97d3faa08a6a0 [0,2,0,0,0,0|1,1,0]=4 414 B8R0.8 COCOC(C)C(=O)C 9af88437e924837e1175779254d8725f [0,2,0,0,0,0|0,1,0]=3 415 B8R0.8 COCOC(C)C(=O)N 6aefe489f48a65cd7d148c440618ab78 [0,2,0,0,0,0|1,1,0]=4 416 B8R0.8 COCO[C@@H](C)C(=O)N 49acefa7331c8c6665c0cba142f65a5a [0,2,0,0,0,0|1,1,0]=4 417 B8R0.8 COCO[C@H](C)C(=O)N 3b246b4b4317637d3b566960fa55f353 [0,2,0,0,0,0|1,1,0]=4 418 B8R0.8 CSCCN(C)C(=O)C f3dc0247d8f8741adf15cb67ead23b7f [0,2,0,0,0,0|1,0,0]=3 419 B8R0.8 CSCNC(C)C(=O)N 09e6b1dc62b63e7473b01cdc2aa52418 [0,2,0,0,0,0|1,0,0]=3 420 B8R0.8 CSCNC(C)C(=O)O ea815da10516e5245f4fabfad2c1e236 [0,2,0,0,0,0|1,0,0]=3 421 B8R0.8 CSCNC(C)C(C)C 51acb59e1f0fbf5f5b25df1165f572ec [0,2,0,0,0,0|1,0,1]=4 422 B8R0.8 CSCNC(C)C(C)O ef3911d562ab7b6e3e64e8a81fc52be6 [0,2,0,0,0,0|0,0,2]=4 423 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,2,0,0,0,0|2,0,0]=4 424 B8R0.8 CSCN[C@@H](C)C(=O)N b433645c30d8ea8eea7e0c7ef027def3 [0,2,0,0,0,0|1,0,0]=3 425 B8R0.8 CSCN[C@@H](C)C(=O)O 7e48161f385aeb967c83dfdd3dbc82ac [0,2,0,0,0,0|1,0,0]=3 426 B8R0.8 CSCN[C@@H](C)C(C)C 4ab9b679ebc9a80bf01bcaae89dc4661 [0,2,0,0,0,0|1,0,1]=4 427 B8R0.8 CSCN[C@H](C)C(=O)N c7892432661f557a4875bbc0c66dca2f [0,2,0,0,0,0|1,0,0]=3 428 B8R0.8 CSCN[C@H](C)C(=O)O b9423e8ae3b110bd616b166a6c8e3236 [0,2,0,0,0,0|1,0,0]=3 429 B8R0.8 CSCN[C@H](C)C(C)C 2d29b2303be9f4b27e85050f3501c685 [0,2,0,0,0,0|1,0,1]=4 430 B8R0.8 CSCOC(C)C(=O)C c95aac72a50d87c47012f14e7a8068b2 [0,2,0,0,0,0|0,0,0]=2 431 B8R0.8 CSCOC(C)C(=O)N 635f1a0e17addb469496239feb26d434 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.8 CSCOC(C)C(=O)O 57d7ce1dd854a328c5975793704ea7b1 [0,2,0,0,0,0|1,0,0]=3 433 B8R0.8 CSCOC(C)C(C)C d3d5c1c5fc376ef75120aa6a80e9e5e0 [0,2,0,0,0,0|1,0,1]=4 434 B8R0.8 CSCOC(C)C(C)S 1b3c066b1800ad8e63563bca2a55b140 [0,2,0,0,0,0|0,1,1]=4 435 B8R0.8 CSCO[C@@H](C)C(=O)N d697806df06282cb5644132872e9ee59 [0,2,0,0,0,0|1,0,0]=3 436 B8R0.8 CSCO[C@@H](C)C(=O)O 864b5a29ecb73704069778c9f0e179d1 [0,2,0,0,0,0|1,0,0]=3 437 B8R0.8 CSCO[C@@H](C)C(C)C 1f6c87538b58f348bd73f4584a70b0aa [0,2,0,0,0,0|1,0,1]=4 438 B8R0.8 CSCO[C@H](C)C(=O)N 52e95303bdf45ec980659949a87a26d8 [0,2,0,0,0,0|1,0,0]=3 439 B8R0.8 CSCO[C@H](C)C(=O)O f7ab39fe068e7fa68aead9a01d1128af [0,2,0,0,0,0|1,0,0]=3 440 B8R0.8 CSCO[C@H](C)C(C)C e348fa0294055e95f739da0de03754bd [0,2,0,0,0,0|1,0,1]=4 441 B8R0.8 C[C@@H](CNCF)C(=O)O 4d9173719fc4f49e4611760c33799bb2 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.8 C[C@@H](CNCO)C(=O)O 129419d76dc5f85eaf247a7f67fc6cef [0,2,0,0,0,0|2,0,0]=4 443 B8R0.8 C[C@@H](COCF)C(=O)O aa505f32f4e5eedb1609c9fa6ceb286b [0,2,0,0,0,0|1,1,0]=4 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B8R0.12 CC(=O)C(C)(C)NCF ee1ad614b6deda63a05f91d38cc61108 [0,2,0,0,0,0|1,0,0]=3 491 B8R0.12 CC(=O)C(C)(C)NCO 3e068c30a895bb404d4fab2097612865 [0,2,0,0,0,0|1,0,0]=3 492 B8R0.12 CC(C)(NCF)C(=O)N e78e887fdd3c0b7785df5e19b3cfc6da [0,2,0,0,0,0|2,0,0]=4 493 B8R0.12 CC(C)(NCF)C(=O)O f9e92278861b7cfa6593cc57e317672c [0,2,0,0,0,0|2,0,0]=4 494 B8R0.12 CC(C)(NCO)C(=O)N 2bac90466422ccd2972ee0c62ce071d4 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.12 CC(C)(NCO)C(=O)O b9fb05c46397d03ef9aa863b94853bfb [0,2,0,0,0,0|2,0,0]=4 496 B8R0.12 CCNC(C)(C)C(=O)C cc6332268668580c950a0bb19a912075 [0,2,0,0,0,0|1,0,0]=3 497 B8R0.12 CCNC(C)(C)C(=O)N c9d91f1d91cd057da4582a1b54997e63 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.12 CCNC(C)(C)C(=O)O 6a4bebf8bb98ff706835230f86b4cd13 [0,2,0,0,0,0|2,0,0]=4 499 B8R0.15 CC(=O)N(CO)CCO acb82ab984ba21a7687fd8bef952a2a8 [0,2,0,0,0,0|2,0,0]=4 500 B8R0.15 CCC(NCF)C(=O)N 9ab0d3256eb996f9dacf81a5a2263835 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.15 CCC(NCF)C(=O)O 850ee032ff8e5d86c20bab43e234fbb6 [0,2,0,0,0,0|2,0,0]=4 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CCNC(CO)C(=O)N 4333fef656a065c1ba68ae2f13ae5e8b [0,2,0,0,0,0|2,0,0]=4 515 B8R0.15 CCNC(CO)C(=O)O ebf98372f13717a9df2df682387bdc5a [0,2,0,0,0,0|2,0,0]=4 516 B8R0.15 CCNC(CS)C(=O)O 8d04389a625618eb9889b3cd17b2e8e6 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.15 CCN[C@@H](CC)C(=O)N 2ecd0466ce0392cdd810df37e1818d79 [0,2,0,0,0,0|2,0,0]=4 518 B8R0.15 CCN[C@@H](CC)C(=O)O ad39164e8fc918d5e58308b586171474 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.15 CCN[C@@H](CCl)C(=O)O 81a0c413a80ec8dc4a086548b2e2f8a3 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.15 CCN[C@@H](CO)C(=O)N 3e6763ebcb86b94e60fc4ae0e4be563a [0,2,0,0,0,0|2,0,0]=4 521 B8R0.15 CCN[C@@H](CO)C(=O)O e2d91799e466e2d5ad0fbeab938b0c5a [0,2,0,0,0,0|2,0,0]=4 522 B8R0.15 CCN[C@@H](CS)C(=O)O ecb0401bca4bb7db9d87809814f9d4f3 [0,2,0,0,0,0|2,0,0]=4 523 B8R0.15 CCN[C@H](CC)C(=O)O f7f7d1d8bf30d5fe2da91fe96021fe3c [0,2,0,0,0,0|2,0,0]=4 524 B8R0.15 CCN[C@H](CCl)C(=O)O 26dcc066f21950a5ba1142c74ad60cbc [0,2,0,0,0,0|2,0,0]=4 525 B8R0.15 CCN[C@H](CO)C(=O)O ceca2f5f870f50fddc0292e18011d619 [0,2,0,0,0,0|2,0,0]=4 526 B8R0.15 CCN[C@H](CS)C(=O)O 7c010ea0d3f5055c0e7214a8d340a87c [0,2,0,0,0,0|2,0,0]=4 527 B8R0.15 CCOC(CC)C(=O)N cc881244ff63cfdfd012c91254de1749 [0,2,0,0,0,0|1,1,0]=4 528 B8R0.15 CCOC(CC)C(=O)O 382aa920ebdd6f2bbe768902640ad9e2 [0,2,0,0,0,0|1,1,0]=4 529 B8R0.15 CCO[C@@H](CC)C(=O)O 94f5195873e16b29cb1b8369b5daad14 [0,2,0,0,0,0|1,1,0]=4 530 B8R0.15 CCO[C@H](CC)C(=O)O b8c9ca25086a8c61d2a1f7aecbcec13d [0,2,0,0,0,0|1,1,0]=4 531 B8R0.15 CCO[C@H](CF)C(=O)O afbab515ead87d58e6c9f68e24ff80d8 [0,2,0,0,0,0|1,1,0]=4 532 B8R0.15 CC[C@@H](NCF)C(=O)O 9592ba18488e06d007c56e3bb749b243 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.15 CC[C@@H](NCO)C(=O)O 97715112de1ce5ecb2509133cc9cdaa1 [0,2,0,0,0,0|2,0,0]=4 534 B8R0.15 CC[C@@H](OCF)C(=O)O 04c614c037a7fb2cad756976721bea17 [0,2,0,0,0,0|1,1,0]=4 535 B8R0.15 CC[C@H](NCF)C(=O)N 75c0f415f49388ef58931a8345c05589 [0,2,0,0,0,0|2,0,0]=4 536 B8R0.15 CC[C@H](NCF)C(=O)O 92c72ae7fc2c9386004189c4ccda19a9 [0,2,0,0,0,0|2,0,0]=4 537 B8R0.15 CC[C@H](NCO)C(=O)N 447f79d1a4a79d049ea2d6100ab9facb [0,2,0,0,0,0|2,0,0]=4 538 B8R0.15 CC[C@H](NCO)C(=O)O 095847387652246d94b75d260940e322 [0,2,0,0,0,0|2,0,0]=4 539 B8R0.15 CC[C@H](OCF)C(=O)O c3e3503168943a92d052ee029c13c59a [0,2,0,0,0,0|1,1,0]=4 540 B8R0.15 NC(=O)C(CO)NCF 1c40122b6c01e2e59939fc3015ef9422 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.15 NC(=O)C(CO)NCO e3c4b26575b76381928138874dd01f53 [0,2,0,0,0,0|2,0,0]=4 542 B8R0.15 NC(=O)[C@H](CO)NCF b5c869e8f2cc447978f8f59cdacbf863 [0,2,0,0,0,0|2,0,0]=4 543 B8R0.15 NC(=O)[C@H](CO)NCO 1ce572a1ecbf5c38dff74acb76ef6193 [0,2,0,0,0,0|2,0,0]=4 544 B8R0.15 O=C(O)C(CCl)NCF 345f20f31e3e9323b766d08f3e4d0312 [0,2,0,0,0,0|2,0,0]=4 545 B8R0.15 O=C(O)C(CCl)NCO 87909341b2a2401adb94a3e449acbeeb [0,2,0,0,0,0|2,0,0]=4 546 B8R0.15 O=C(O)C(CF)NCF 3c68b2ec2d74233cffc4fb4e71bbb94b [0,2,0,0,0,0|2,0,0]=4 547 B8R0.15 O=C(O)C(CF)NCO 8882ba16164d78cec81fe4b00fda2ae1 [0,2,0,0,0,0|2,0,0]=4 548 B8R0.15 O=C(O)C(CO)NCF 9eea1e72a00cd3dd12c33ca4052b702a [0,2,0,0,0,0|2,0,0]=4 549 B8R0.15 O=C(O)C(CO)NCO 81ff67930a96f8f373a876534f5a354d [0,2,0,0,0,0|2,0,0]=4 550 B8R0.15 O=C(O)C(CS)NCF d2bcc921a07d6c66ec8feced8008b3d2 [0,2,0,0,0,0|2,0,0]=4 551 B8R0.15 O=C(O)C(CS)NCO b3a632b39e14452fb76e40a3b45f1330 [0,2,0,0,0,0|2,0,0]=4 552 B8R0.15 O=C(O)[C@@H](CCl)NCF 0f4882ad0f84646d0776c613bf998da9 [0,2,0,0,0,0|2,0,0]=4 553 B8R0.15 O=C(O)[C@@H](CCl)NCO a657e82377b90be09b01db5df6746084 [0,2,0,0,0,0|2,0,0]=4 554 B8R0.15 O=C(O)[C@@H](CF)OCF 5ca8d51c8b5d5b379a86da0372761524 [0,2,0,0,0,0|1,1,0]=4 555 B8R0.15 O=C(O)[C@@H](CO)NCF b58ae15b4649cf9eff033a92ba589b35 [0,2,0,0,0,0|2,0,0]=4 556 B8R0.15 O=C(O)[C@@H](CO)NCO cfec0a60446fa32f24138a7f54bc9bb8 [0,2,0,0,0,0|2,0,0]=4 557 B8R0.15 O=C(O)[C@@H](CS)NCF f755fd948c7a145e65bf11358747b457 [0,2,0,0,0,0|2,0,0]=4 558 B8R0.15 O=C(O)[C@@H](CS)NCO 0f499f5952378dffba3785ff4ae4c019 [0,2,0,0,0,0|2,0,0]=4 559 B8R0.15 O=C(O)[C@H](CCl)NCF 750706009ff6f282f1ca980848f7e16b [0,2,0,0,0,0|2,0,0]=4 560 B8R0.15 O=C(O)[C@H](CCl)NCO 45f6f42413f314b49f1c79dfa3cea815 [0,2,0,0,0,0|2,0,0]=4 561 B8R0.15 O=C(O)[C@H](CO)NCF e3967553d1a093cbd0dce0f9d6a1e608 [0,2,0,0,0,0|2,0,0]=4 562 B8R0.15 O=C(O)[C@H](CO)NCO 08a1cdec07261d180e41b733dfd606d7 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.15 O=C(O)[C@H](CS)NCF acd5dd73331d3e22705923fab1a8feaf [0,2,0,0,0,0|2,0,0]=4 564 B8R0.15 O=C(O)[C@H](CS)NCO 1ed62aac1780461a449b2c14b61eaf37 [0,2,0,0,0,0|2,0,0]=4 565 B8R0.13 CCC(C)(C)N(C)C=O 47b2b4eced2b2491cbc68bbc7487dd12 [0,2,0,0,0,0|2,0,0]=4 566 B8R0.20 CCC(CC)N(C)C=O a695b72f2adae00a27f64539765ed93c [0,2,0,0,0,0|2,0,0]=4 567 B8R0.27 CC(=O)N(C)C(C)(C)C f5cb8b84b627b76eea961cbcd81ccc09 [0,2,0,0,0,0|2,0,0]=4 568 B8R0.18 CCN(C(=O)C)C(C)C 6b8dc1079f487492a94f12950ff27167 [0,2,0,0,0,0|2,0,0]=4 569 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|2,0,0]=4 570 B8R1.20 CC(=O)NC1CC1C 1768a28e3842ccc949f84e026e8d58f3 [0,0,0,1,0,1|1,0,0]=3 571 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F bc7a6eb1a99ce556c18fcaf7f0c75c37 [0,0,0,1,0,1|2,0,0]=4 572 B8R1.20 CC(=O)N[C@H]1C[C@@H]1F 576115c90eccc628d4e941f7a7852f6c [0,0,0,1,0,1|2,0,0]=4 573 B8R1.20 CC(=O)N[C@H]1C[C@H]1F 8cb83b6d110bbd78098fefdd41f3f45a [0,0,0,1,0,1|2,0,0]=4 574 B8R1.34 CC(=O)NC1CCC1 46894fd3aa8761205eba8795d61a04cf [0,0,0,1,0,1|1,0,0]=3 575 B8R1.34 CC(=O)NC1COC1 434b9f924b049f8d9fb83819938927c2 [0,0,0,1,0,1|2,0,0]=4 576 B8R1.7 CC(=O)N1CCSC1 df98add89dd15161c9f678ec3ecd18ec [0,1,0,1,0,0|1,0,0]=3 577 B8R1.13 CCN[C@H]1CNC1=O f3f57bd052f649487c4a2d7e92b0d01a [0,1,0,1,0,0|2,0,0]=4 578 B8R1.13 CCOC1CCC1=O 3dbc6f04881f51171a4de09e2024a401 [0,1,0,1,0,0|0,1,0]=3 579 B8R1.13 N#CNC1CCC1=O 6fef62f5b6597e2c0a9f8080852ec84e [0,1,0,1,0,0|1,0,1]=4 580 B8R1.13 O=C1CCC1OCF acbe5648e5fa1bf2d12fcf8dac78f593 [0,1,0,1,0,0|0,1,0]=3 581 B8R1.13 O=C1NC[C@@H]1NCF 0d76b77004abe2bde2fffde83ac370da [0,1,0,1,0,0|2,0,0]=4 582 B8R1.13 O=C1NC[C@@H]1NCO 13e7ef24d5bda6a447193e9ab8c1b3ed [0,1,0,1,0,0|2,0,0]=4 583 B8R1.23 CC(=O)N1CC(C1)F cba0abc01d5766c34fe5531513946933 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.23 CC(=O)N1CC(C1)O 77ab01a2253fd049b876c0a3e724463e [0,1,0,1,0,0|2,0,0]=4 585 B8R1.54 CC(=O)N(C)C1CC1 61fc6600543372561e48e4dacdc6032f [0,1,0,1,0,0|2,0,0]=4 586 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.11 CC1SCCN1C=O a4140bf0d296ba848f3453d4bea5de05 [0,1,0,1,0,0|1,0,0]=3 588 B8R1.11 CC1SCCN1CF 1a8381f1c2fe5a108b794e80a5ee4e38 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.11 CC1SCCN1CO b0a76bbb389aad74120dd519ae652ff1 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.11 CCN1CCSC1C 6a56b5c1b50abad68d5899af3448227e [0,1,0,1,0,0|2,0,0]=4 591 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,1,0,1,0,0|2,0,0]=4 592 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.12 CCC1CCN1C=O 4d6ef5a44aefaf3ec9d57c4c6afb459e [0,1,0,1,0,0|2,0,0]=4 594 B8R1.38 CCC(=O)N1CCC1 d52503cf4cfc194127f664b5bcf57565 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.38 O=C(CF)N1CCC1 e1631cac567168a725b0163e106fbfc3 [0,1,0,1,0,0|2,0,0]=4 596 B8R1.38 O=C(CO)N1CCC1 14506b695520a8256189bb97564c8706 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.38 O=C(CS)N1CCC1 483ef26b984ed24bd38f07147cc524a3 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.39 CN(C=O)C1(CC1)C 22570dab61264ed4f7022e7238373781 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.77 CC(=O)N1CC1(C)C 590117534e705036bf11af3121bac41b [0,1,0,1,0,0|2,0,0]=4 600 B8R0.9 C#CC(C)NCC(=O)C 2ad4abc709ed22d0c1fc1e2c701880d0 [0,0,0,0,0,2|1,0,1]=4 601 B8R0.9 C#CC(C)OCC(=O)C 882d251e5156962e635e367fb9e2389a [0,0,0,0,0,2|1,0,1]=4 602 B8R0.9 C=C(C)CNC(C)CC 256f62cec490bafed043741999c25df4 [0,0,0,0,0,2|2,0,0]=4 603 B8R0.9 C=C(C)CN[C@@H](C)CC d26c3d64a9f189169a5866d4e2b497b9 [0,0,0,0,0,2|2,0,0]=4 604 B8R0.9 C=C(C)CN[C@H](C)CC 63a0b508416fa3ab231e5f743622aa6e [0,0,0,0,0,2|2,0,0]=4 605 B8R0.9 C=C(C)COC(C)CC 4482bd721211f848f89897698cdef93d [0,0,0,0,0,2|2,0,0]=4 606 B8R0.9 C=C(C)CO[C@@H](C)CC 1f8fa1d6bc957d679b02c8c39dd68048 [0,0,0,0,0,2|2,0,0]=4 607 B8R0.9 C=C(C)CO[C@H](C)CC 4903f87f8690f044163b36d5c736143f [0,0,0,0,0,2|2,0,0]=4 608 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,0,0,0,0,2|1,0,1]=4 609 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,0,0,0,0,2|1,0,1]=4 610 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,0,0,0,0,2|2,0,0]=4 611 B8R0.9 CC(=O)CNC(C)CO 7f456ce2665c50a288606a55fcadb654 [0,0,0,0,0,2|2,0,0]=4 612 B8R0.9 CC(=O)CN[C@@H](C)CO 3490504cc82c16f891707783a3f5d03b [0,0,0,0,0,2|2,0,0]=4 613 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,0,0,0,0,2|2,0,0]=4 614 B8R0.9 CC(=O)CN[C@H](C)CO b856683376ccfcef5ca680b8cb827c55 [0,0,0,0,0,2|2,0,0]=4 615 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,0,0,0,0,2|2,0,0]=4 616 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,0,0,0,0,2|2,0,0]=4 617 B8R0.9 CC(=O)NCC(C)C#N 70b6e41d7a36e25b863c12e3e2ab9f7c [0,0,0,0,0,2|2,0,0]=4 618 B8R0.9 CC(=O)NCC(C)CO 5107eece73873b4763584dc1449ad61c [0,0,0,0,0,2|2,0,0]=4 619 B8R0.9 CC(=O)NC[C@H](C)CO 5409bde0c2b60b9f7b568586e701b259 [0,0,0,0,0,2|2,0,0]=4 620 B8R0.9 CCC(C)CNC(=O)C aa3f1455f544ac3656d43724f45ee4b6 [0,0,0,0,0,2|1,0,0]=3 621 B8R0.9 CCC(C)NCC(=O)C 6436401da3e43365ad6648f7d16996be [0,0,0,0,0,2|1,0,0]=3 622 B8R0.9 CCC(C)NCC(=O)N 000867cd72bf7abf807440f1d3bec59b [0,0,0,0,0,2|2,0,0]=4 623 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,0,0,0,0,2|2,0,0]=4 624 B8R0.9 CCC(C)OCC(=O)C 51585707b16cf92a5a0e33fe644c9725 [0,0,0,0,0,2|1,0,0]=3 625 B8R0.9 CCC(C)OCC(=O)N 1b913184d403fb69b64ed9e9c743a425 [0,0,0,0,0,2|2,0,0]=4 626 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,0,0,0,0,2|2,0,0]=4 627 B8R0.9 CCC(O)CNC(=O)C 303ca77168267846269f8e2248e6c650 [0,0,0,0,0,2|2,0,0]=4 628 B8R0.9 CCN(C)CCC(=O)C 704b8017c1fe42d466a2c16771fe60b9 [0,0,0,0,0,2|2,0,0]=4 629 B8R0.9 CCN(C)COC(=O)C 662418b9fd851b02bfa0c21ae20e504d [0,0,0,0,0,2|2,0,0]=4 630 B8R0.9 CC[C@@H](C)NCC(=O)N 00c2922a9a0e085fef41a6936ba22077 [0,0,0,0,0,2|2,0,0]=4 631 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,0,0,0,0,2|2,0,0]=4 632 B8R0.9 CC[C@@H](C)OCC(=O)N 177a1fefad08e7123933fff20860c103 [0,0,0,0,0,2|2,0,0]=4 633 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,0,0,0,0,2|2,0,0]=4 634 B8R0.9 CC[C@@H](O)CNC(=O)C 214f1ff21aca62cdd2be0dae45336745 [0,0,0,0,0,2|2,0,0]=4 635 B8R0.9 CC[C@H](C)CNC(=O)C 7308e3222c110d542936eb43984d990d [0,0,0,0,0,2|1,0,0]=3 636 B8R0.9 CC[C@H](C)NCC(=O)N f4cbd027635400a1bd56158094969969 [0,0,0,0,0,2|2,0,0]=4 637 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,0,0,0,0,2|2,0,0]=4 638 B8R0.9 CC[C@H](C)OCC(=O)N a50cd0f8b1faba93c04bb41f0f47043f [0,0,0,0,0,2|2,0,0]=4 639 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,0,0,0,0,2|2,0,0]=4 640 B8R0.9 CO[C@@H](C)CNC(=O)C 0cf2684fa855f95ea59e4d00d3adab12 [0,0,0,0,0,2|0,1,0]=3 641 B8R0.9 CO[C@H](C)CNC(=O)C 8d64b64f82d28ad11a8f0edbe07358fd [0,0,0,0,0,2|0,1,0]=3