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126db25e0e4cf6691fb1b82389d3a95e [0,1,0,0,0,0|2,0,0]=3 14 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,1,0,0,0,0|3,0,0]=4 15 B6R0.1 C#C[C@@H](C)OCF 84c9a69113565387c92718924a808d76 [0,1,0,0,0,0|3,0,0]=4 16 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,1,0,0,0,0|3,0,0]=4 17 B6R0.1 C#C[C@H](C)NCF f03102ed4263cb5dbc188dbc384a5e8f [0,1,0,0,0,0|3,0,0]=4 18 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,1,0,0,0,0|2,0,0]=3 19 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,1,0,0,0,0|3,0,0]=4 20 B6R0.1 C#C[C@H](C)OCF 8667845c9da8dd8e24b1d3a8f6a93aa8 [0,1,0,0,0,0|3,0,0]=4 21 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|3,0,0]=4 22 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,1,0,0,0,0|3,0,0]=4 23 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|2,0,0]=3 24 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|3,0,0]=4 25 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,1,0,0,0,0|3,0,0]=4 26 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,1,0,0,0,0|2,0,1]=4 27 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,1,0,0,0,0|3,0,0]=4 29 B6R0.1 CC(C#N)NCF b8014a86217c2b8a6f13da005da0a028 [0,1,0,0,0,0|3,0,0]=4 30 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,1,0,0,0,0|2,0,0]=3 31 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|2,0,1]=4 32 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,1,0,0,0,0|3,0,0]=4 33 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,1,0,0,0,0|1,0,2]=4 35 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,1,0,0,0,0|1,0,0]=2 37 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,1,0,0,0,0|2,1,0]=4 38 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|2,0,0]=3 40 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|2,0,1]=4 42 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,0,0,0,0|3,0,0]=4 43 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,1,0,0,0,0|3,0,0]=4 44 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|2,0,0]=3 45 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,1,0,0,0,0|3,0,0]=4 46 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,1,0,0,0,0|2,0,0]=3 47 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,1,0,0,0,0|2,1,0]=4 48 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|3,0,0]=4 50 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,1,0,0,0,0|2,0,0]=3 51 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|3,0,0]=4 52 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,1,0,0,0,0|2,0,0]=3 53 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|3,0,0]=4 54 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|2,0,1]=4 56 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|3,0,0]=4 57 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|3,0,0]=4 58 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|2,1,0]=4 59 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|3,0,0]=4 60 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|3,0,0]=4 61 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|2,1,0]=4 62 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,1,0,0,0,0|3,0,0]=4 63 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|3,0,0]=4 65 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,1,0,0,0,0|3,0,0]=4 66 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|2,0,0]=3 67 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|1,0,1]=3 70 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [0,1,0,0,0,0|3,0,0]=4 71 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 CN(CO)CC#N 980602725576f2e824d0e865b4b20c78 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,1,0,0,0,0|1,0,0]=2 75 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,1,0,0,0,0|1,0,2]=4 77 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,1,0,0,0,0|2,0,0]=3 78 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,1,0,0,0,0|1,0,0]=2 79 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,1,0,0,0,0|1,0,2]=4 81 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,1,0,0,0,0|2,0,0]=3 82 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,1,0,0,0,0|1,0,0]=2 83 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,1,0,0,0,0|2,1,0]=4 84 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [0,1,0,0,0,0|3,0,0]=4 85 B6R0.3 CC(C)N(C)CF d3c40e8bfc08dfa1b44a8a87aef31e93 [0,1,0,0,0,0|3,0,0]=4 86 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,1,0,0,0,0|2,0,0]=3 87 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,1,0,0,0,0|3,0,0]=4 88 B6R0.4 C#CCNC(C)C cd1408fc1dae47155e40a1bc6beb1606 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.4 C#CCOC(C)C f06fe85c789040b5be09600decc77ea1 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.4 C=C(Br)CNCO adc279aef6f40140095a017583e56582 [0,1,0,0,0,0|1,0,2]=4 91 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [0,1,0,0,0,0|2,0,1]=4 92 B6R0.4 C=C(C)CNCF 1e221a22fcfa2f630690e0e1cc1b686c [0,1,0,0,0,0|2,0,1]=4 93 B6R0.4 C=C(C)CNCO aed1efb8ed6b634f66b125805c14e3c3 [0,1,0,0,0,0|1,0,1]=3 94 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.4 C=C(C)COCF cb102a3037e49fdd230dfa87a9a6cd9a [0,1,0,0,0,0|2,0,1]=4 96 B6R0.4 C=CCOC(C)C 041109637968f56803a7bcb6b6bd0ab7 [0,1,0,0,0,0|2,0,1]=4 97 B6R0.4 CC(=O)CNCF b7881e88fb8b8e6cf10e5a033e11f317 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.4 CC(=O)CNCO 088e087d20fb510bb88def586900e34f [0,1,0,0,0,0|0,0,2]=3 99 B6R0.4 CC(=O)COCF dfbfbe0c756744937aaeae603856ac60 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.4 CC(=O)NCCBr a50b84b8e00a5eea33926a7cde86e5c2 [0,1,0,0,0,0|1,0,2]=4 101 B6R0.4 CC(=O)NCCF 40474d3cc8ff0aef7c3ef76344b9eebb [0,1,0,0,0,0|1,0,2]=4 102 B6R0.4 CC(=O)NCCI baf3590450994f173452759880fb646a [0,1,0,0,0,0|1,0,2]=4 103 B6R0.4 CC(=O)NCCO 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1be7e1885bd3670d21ecc2d4422857b0 [0,1,0,0,0,0|2,0,1]=4 117 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,1,0,0,0,0|2,0,0]=3 119 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,1,0,0,0,0|1,1,0]=3 120 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [0,1,0,0,0,0|2,0,0]=3 121 B6R0.4 CC(O)CNC#N f1c6c355e50ceab4bc37c7398481619a [0,1,0,0,0,0|1,0,1]=3 122 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [0,1,0,0,0,0|0,0,2]=3 123 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,1,0,0,0,0|0,0,0]=1 125 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [0,1,0,0,0,0|1,1,0]=3 126 B6R0.4 CCCNC(=O)C 2a730f252c249036b45b0d2d9cd73ca4 [0,1,0,0,0,0|1,0,2]=4 127 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.4 CCNCC(=O)C f174d94c45d739e3b909d0bcb7f774b6 [0,1,0,0,0,0|1,0,2]=4 130 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [0,1,0,0,0,0|2,0,1]=4 131 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,1,0,0,0,0|2,0,0]=3 132 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,1,0,0,0,0|1,0,0]=2 133 B6R0.4 CCNCC(F)F 378c0d6ca4a67a557b47e015a9ac5778 [0,1,0,0,0,0|3,0,0]=4 134 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,1,0,0,0,0|1,0,0]=2 135 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,1,0,0,0,0|1,0,0]=2 136 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,1,0,0,0,0|1,0,2]=4 137 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,1,0,0,0,0|2,0,1]=4 138 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,1,0,0,0,0|2,0,0]=3 139 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,1,0,0,0,0|2,0,0]=3 140 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,1,0,0,0,0|1,1,0]=3 141 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [0,1,0,0,0,0|3,0,0]=4 142 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,1,0,0,0,0|3,0,0]=4 143 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,1,0,0,0,0|2,0,0]=3 145 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,1,0,0,0,0|2,0,0]=3 146 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,1,0,0,0,0|2,1,0]=4 147 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [0,1,0,0,0,0|2,0,0]=3 148 B6R0.4 C[C@@H](O)CNC#N e3345931a28baeaadc1130dfdade6003 [0,1,0,0,0,0|1,0,1]=3 149 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [0,1,0,0,0,0|0,0,2]=3 150 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,1,0,0,0,0|1,0,0]=2 151 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,1,0,0,0,0|0,0,0]=1 152 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [0,1,0,0,0,0|2,0,0]=3 153 B6R0.4 C[C@H](O)CNC#N 269e98544ebb3ff67d9e1081dfeb62f0 [0,1,0,0,0,0|1,0,1]=3 154 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [0,1,0,0,0,0|0,0,2]=3 155 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,1,0,0,0,0|1,0,0]=2 156 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,1,0,0,0,0|0,0,0]=1 157 B6R0.4 FCNCC(F)F 6da875672bede8e90a731b5bce1724ae [0,1,0,0,0,0|3,0,0]=4 158 B6R0.4 FCOCC(F)F 93da8152d196f70d388a7f1ac91073db [0,1,0,0,0,0|3,0,0]=4 159 B6R0.4 NC(=O)CNCO d301de02518fc5358c97c5b15c4b68ec [0,1,0,0,0,0|1,0,2]=4 160 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [0,1,0,0,0,0|2,0,1]=4 161 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,1,0,0,0,0|1,0,1]=3 162 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,1,0,0,0,0|2,0,1]=4 163 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,1,0,0,0,0|3,0,0]=4 164 B6R0.4 OCNCC(F)F 3ed4ca35ec506c3014c6127dbef8f462 [0,1,0,0,0,0|2,0,0]=3 165 B6R0.5 CC(C)(C)NCF 3cacbed1609b720894d3f72aa5b5474f [0,1,0,0,0,0|3,0,0]=4 166 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [0,1,0,0,0,0|2,0,0]=3 167 B6R0.5 CCNC(C)(C)C 075494290386c2ca265fcbc967febc26 [0,1,0,0,0,0|3,0,0]=4 168 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [0,0,0,1,0,0|3,0,0]=4 169 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [0,0,0,1,0,0|3,0,0]=4 170 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [0,0,0,1,0,0|3,0,0]=4 171 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [0,0,0,1,0,0|3,0,0]=4 172 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,0,0,1,0,0|2,0,0]=3 173 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,1,0,0,0,0|1,0,1]=4 174 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [1,1,0,0,0,0|2,0,0]=4 175 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [1,1,0,0,0,0|2,0,0]=4 176 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [1,1,0,0,0,0|1,0,0]=3 177 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,1,0,0,0,0|1,0,1]=4 178 B5R0.2 C#CCNCO 4bb795bb5acae202fad43479b44be9dd [1,1,0,0,0,0|0,0,2]=4 179 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,1,0,0,0,0|0,0,2]=4 182 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,1,0,0,0,0|1,0,0]=3 183 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,1,0,0,0,0|1,0,0]=3 184 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|0,0,0]=2 185 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,1,0,0,0,0|1,0,0]=3 186 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,1,0,0,0,0|1,0,0]=3 187 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,1,0,0,0,0|1,0,0]=3 189 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,1,0,0,0,0|1,0,0]=3 190 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,1,0,0,0,0|1,0,0]=3 191 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,1,0,0,0,0|0,0,0]=2 192 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,1,0,0,0,0|0,1,0]=3 193 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,1,0,0,0,0|1,0,1]=4 194 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,1,0,0,0,0|1,0,0]=3 195 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|0,1,0]=3 196 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,1,0,0,0,0|1,0,0]=3 197 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,1,0,0,0,0|2,0,0]=4 198 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [1,1,0,0,0,0|2,0,0]=4 199 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,1,0,0,0,0|2,0,0]=4 200 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [1,1,0,0,0,0|2,0,0]=4 201 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [1,1,0,0,0,0|2,0,0]=4 202 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,1,0,0,0,0|1,1,0]=4 203 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,1,0,0,0,0|1,1,0]=4 204 B5R0.2 N#CCNCO fd324670c11604d36c8ad9c950822402 [1,1,0,0,0,0|1,0,1]=4 205 B5R0.2 N#CNCCO 4fe025328d8e2b561fe449e861e4b637 [1,1,0,0,0,0|1,0,1]=4 206 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,1,0,0,0,0|0,0,2]=4 207 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,1,0,0,0,0|1,0,0]=3 208 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,1,0,0,0,0|0,0,0]=2 209 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,1,0,0,0,0|1,0,0]=3 210 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,1,0,0,0,0|1,0,0]=3 211 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,1,0,0,0,0|1,0,0]=3 212 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,1,0,0,0,0|0,1,0]=3 213 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,2,0,0,0,0|0,0,2]=4 214 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,2,0,0,0,0|0,0,2]=4 215 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,2,0,0,0,0|0,0,2]=4 216 B7R0.2 CC(C)CN(C)CF f2a6b79f5877628929a1b31fd183a5d0 [0,2,0,0,0,0|2,0,0]=4 217 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [0,2,0,0,0,0|1,0,0]=3 219 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [0,2,0,0,0,0|1,0,0]=3 220 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [0,2,0,0,0,0|1,0,0]=3 221 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,2,0,0,0,0|2,0,0]=4 222 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,2,0,0,0,0|1,1,0]=4 223 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,2,0,0,0,0|1,1,0]=4 224 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,2,0,0,0,0|0,0,2]=4 225 B7R0.2 CC(O)CN(C)CF c09526189cafd23891f682c66649d125 [0,2,0,0,0,0|1,0,0]=3 226 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [0,2,0,0,0,0|0,0,0]=2 227 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,2,0,0,0,0|2,0,0]=4 228 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,2,0,0,0,0|2,0,0]=4 230 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,2,0,0,0,0|1,0,0]=3 231 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,2,0,0,0,0|1,0,0]=3 232 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,2,0,0,0,0|1,0,0]=3 233 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,2,0,0,0,0|2,0,0]=4 235 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,2,0,0,0,0|2,0,0]=4 236 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,2,0,0,0,0|2,0,0]=4 237 B7R0.2 CN(CO)CC(=O)O e8788fe9a5132c43f9e5136dbe3278ce [0,2,0,0,0,0|1,0,1]=4 238 B7R0.2 CN(CO)CC(F)F c19961e26bc0fd66197092950a862b42 [0,2,0,0,0,0|2,0,0]=4 239 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,2,0,0,0,0|0,0,2]=4 240 B7R0.2 C[C@H](O)CN(C)CF 5a09021deee6ed4ea8f52ce12dc22c90 [0,2,0,0,0,0|1,0,0]=3 241 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [0,2,0,0,0,0|0,0,0]=2 242 B7R0.3 C#CC(C)NCCBr 9f42b4006e47fe369c2f3107df33b480 [0,2,0,0,0,0|2,0,0]=4 243 B7R0.3 C#CC(C)NCCC 0f597b1bca0c5618e6a85d1db7ea6731 [0,2,0,0,0,0|2,0,0]=4 244 B7R0.3 C#CC(C)NCCF fd51cf145bf51fb8f190e2a94657f5ec [0,2,0,0,0,0|2,0,0]=4 245 B7R0.3 C#CC(C)NCCI af50158c9b957a00bc39c9afdd4565fc [0,2,0,0,0,0|2,0,0]=4 246 B7R0.3 C#CC(C)NCCO bbba0c1d2ecd1db2e38885169cb41ae5 [0,2,0,0,0,0|1,0,0]=3 247 B7R0.3 C#CC(C)NCCS b58af2565a34ae4c8683d861488fa2fd [0,2,0,0,0,0|1,1,0]=4 248 B7R0.3 C#CC(C)NCOC 1d5be434cad6021f3ae75f538f01d843 [0,2,0,0,0,0|2,0,0]=4 249 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,2,0,0,0,0|2,0,0]=4 250 B7R0.3 C#CC(C)OCCF 7774b00cacd5f01f93b97c582c22aebc [0,2,0,0,0,0|2,0,0]=4 251 B7R0.3 C#CC(C)OCCS 677d2cf41c5776b9322f569b2e20ad78 [0,2,0,0,0,0|1,1,0]=4 252 B7R0.3 C#CC(C)OCOC f493f96c2be9b9205978c019e3195ea7 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.3 C#CCCN(C)CO 3456b7202c86ce20c9db5825f2600d97 [0,2,0,0,0,0|2,0,0]=4 254 B7R0.3 C#CCNC(C)CO e217aadc6ae2184f287cc75033468347 [0,2,0,0,0,0|1,0,1]=4 255 B7R0.3 C#CCN[C@@H](C)CO be23745c4a1394ef26cd9ad9ba61e848 [0,2,0,0,0,0|1,0,1]=4 256 B7R0.3 C#CCN[C@H](C)CO d868e6c27f5fba5003a802e374564049 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.3 C#C[C@@H](C)NCCC 27ba225c67029d8236c87fc6721fad3a [0,2,0,0,0,0|2,0,0]=4 258 B7R0.3 C#C[C@@H](C)NCCF e0c1990c39ed030f0d8b393a1e64d078 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.3 C#C[C@@H](C)NCCO e9414cfb46cc033f4806e66f84d2f19c [0,2,0,0,0,0|1,0,0]=3 260 B7R0.3 C#C[C@@H](C)NCCS da71f9d45152d302b76aca07f2f11d0d [0,2,0,0,0,0|1,1,0]=4 261 B7R0.3 C#C[C@@H](C)NCOC 2ba0e1451bb24cea5ca970d61b987735 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [0,2,0,0,0,0|2,0,0]=4 263 B7R0.3 C#C[C@@H](C)OCCF 3310abc989f1679a61ca80b2a539306c [0,2,0,0,0,0|2,0,0]=4 264 B7R0.3 C#C[C@@H](C)OCCS 4e04a11dc65e84e3c6145d59508cdb0d [0,2,0,0,0,0|1,1,0]=4 265 B7R0.3 C#C[C@@H](C)OCOC b5f2510f611fba5c0b90597284089504 [0,2,0,0,0,0|2,0,0]=4 266 B7R0.3 C#C[C@H](C)NCCC 870e3ac73d57aa9963af4d33ccaf86fd [0,2,0,0,0,0|2,0,0]=4 267 B7R0.3 C#C[C@H](C)NCCF 91841d87b09af0e4d1ea5c7e42ff8931 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.3 C#C[C@H](C)NCCO 1a07e9f5216c88dd837e816c5c857fca [0,2,0,0,0,0|1,0,0]=3 269 B7R0.3 C#C[C@H](C)NCCS ad5eb5d5c390d7b62d5a78c32a63c091 [0,2,0,0,0,0|1,1,0]=4 270 B7R0.3 C#C[C@H](C)NCOC 08b281a3f645396c68d81ab72641dee6 [0,2,0,0,0,0|2,0,0]=4 271 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [0,2,0,0,0,0|2,0,0]=4 272 B7R0.3 C#C[C@H](C)OCCF 16f3c962063cbc9a1612a19a77fc207b [0,2,0,0,0,0|2,0,0]=4 273 B7R0.3 C#C[C@H](C)OCCS 42ab997997a9001ee9da9446c6900cb0 [0,2,0,0,0,0|1,1,0]=4 274 B7R0.3 C#C[C@H](C)OCOC 7a874ba6eb8c315241b513f50f519c90 [0,2,0,0,0,0|2,0,0]=4 275 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,2,0,0,0,0|2,0,0]=4 276 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,2,0,0,0,0|2,0,0]=4 277 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,2,0,0,0,0|2,0,0]=4 278 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,2,0,0,0,0|2,0,0]=4 279 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,2,0,0,0,0|2,0,0]=4 280 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,2,0,0,0,0|2,0,0]=4 281 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,2,0,0,0,0|1,0,0]=3 282 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,2,0,0,0,0|1,1,0]=4 283 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,2,0,0,0,0|2,0,0]=4 284 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,2,0,0,0,0|2,0,0]=4 285 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,2,0,0,0,0|2,0,0]=4 286 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,2,0,0,0,0|1,1,0]=4 287 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,2,0,0,0,0|2,0,0]=4 288 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.3 C=CC(O)CNCF 45fea0cdfc9533f811af25c5a7464b1f [0,2,0,0,0,0|1,0,1]=4 290 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,2,0,0,0,0|0,0,1]=3 291 B7R0.3 C=CCCN(C)CO 579b9235661212985211ec5a8a4dba41 [0,2,0,0,0,0|2,0,0]=4 292 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,2,0,0,0,0|1,0,1]=4 293 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,2,0,0,0,0|1,0,1]=4 294 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,2,0,0,0,0|1,0,1]=4 295 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,2,0,0,0,0|2,0,0]=4 296 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,2,0,0,0,0|2,0,0]=4 297 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,2,0,0,0,0|1,1,0]=4 298 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,2,0,0,0,0|2,0,0]=4 299 B7R0.3 CC(C#N)CNCF 02f8a851e28be19b2d3117630e8e3370 [0,2,0,0,0,0|2,0,0]=4 300 B7R0.3 CC(C#N)CNCO cdcd1d8e558d8fe031d84eda06590263 [0,2,0,0,0,0|1,0,0]=3 301 B7R0.3 CC(C#N)COCF 5bd96783c2c616ddb9bb1c10857135df [0,2,0,0,0,0|2,0,0]=4 302 B7R0.3 CC(C#N)NCCF 6450985545dd0e0dd5088eee8ecc2f46 [0,2,0,0,0,0|2,0,0]=4 303 B7R0.3 CC(C#N)NCCI 54ae9bb95a89c9caa452fd5f086326eb [0,2,0,0,0,0|2,0,0]=4 304 B7R0.3 CC(C#N)NCCO 55b7405319dad98407f3509b935a08d4 [0,2,0,0,0,0|1,0,0]=3 305 B7R0.3 CC(C#N)NCCS adfd8836ca4622423073fd00e5aa980d [0,2,0,0,0,0|1,1,0]=4 306 B7R0.3 CC(C#N)OCCS 54ef71d430fa96d7cb92c30410fb9da9 [0,2,0,0,0,0|1,1,0]=4 307 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,2,0,0,0,0|1,0,1]=4 308 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,2,0,0,0,0|1,0,1]=4 309 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,2,0,0,0,0|1,0,1]=4 310 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,2,0,0,0,0|0,0,1]=3 311 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|0,1,1]=4 312 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|1,0,1]=4 313 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|0,1,1]=4 314 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [0,2,0,0,0,0|2,0,0]=4 315 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [0,2,0,0,0,0|1,1,0]=4 316 B7R0.3 CC(CO)CNC#N f081c9853066c36f1feb71f0d0ee5f22 [0,2,0,0,0,0|1,0,1]=4 317 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,2,0,0,0,0|0,0,2]=4 318 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [0,2,0,0,0,0|1,0,0]=3 319 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,2,0,0,0,0|0,0,0]=2 320 B7R0.3 CC(CO)NCC#N c15c6c891d1b54cfdcadaff4df95022a [0,2,0,0,0,0|1,0,1]=4 321 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,2,0,0,0,0|0,0,2]=4 322 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [0,2,0,0,0,0|1,0,0]=3 323 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [0,2,0,0,0,0|1,0,0]=3 324 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [0,2,0,0,0,0|1,0,0]=3 325 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,2,0,0,0,0|0,0,0]=2 326 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [0,2,0,0,0,0|0,1,0]=3 327 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,2,0,0,0,0|1,1,0]=4 328 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,2,0,0,0,0|0,2,0]=4 329 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [0,2,0,0,0,0|0,0,2]=4 330 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,2,0,0,0,0|2,0,0]=4 331 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,2,0,0,0,0|1,0,0]=3 332 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,2,0,0,0,0|2,0,0]=4 333 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,2,0,0,0,0|2,0,0]=4 334 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,2,0,0,0,0|2,0,0]=4 335 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,2,0,0,0,0|2,0,0]=4 336 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,2,0,0,0,0|1,0,0]=3 337 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,2,0,0,0,0|1,1,0]=4 338 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,2,0,0,0,0|2,0,0]=4 339 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,2,0,0,0,0|2,0,0]=4 340 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,2,0,0,0,0|1,1,0]=4 341 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.3 CCC(O)CNC#N 812e6acb20ff52259cbcafc7e21eafbc [0,2,0,0,0,0|1,0,1]=4 343 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,2,0,0,0,0|0,0,2]=4 344 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,2,0,0,0,0|1,0,0]=3 345 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,2,0,0,0,0|0,0,0]=2 346 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,2,0,0,0,0|2,0,0]=4 347 B7R0.3 CCCNC(C)C#N e68d5a808283376392b45cfe49aa2551 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,2,0,0,0,0|1,0,1]=4 349 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,2,0,0,0,0|1,0,0]=3 351 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,2,0,0,0,0|2,0,0]=4 352 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,2,0,0,0,0|1,0,0]=3 353 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,2,0,0,0,0|1,0,1]=4 354 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,2,0,0,0,0|2,0,0]=4 355 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,2,0,0,0,0|1,0,0]=3 356 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [0,2,0,0,0,0|2,0,0]=4 357 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,2,0,0,0,0|1,0,1]=4 358 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,2,0,0,0,0|2,0,0]=4 359 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,2,0,0,0,0|2,0,0]=4 360 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,2,0,0,0,0|1,1,0]=4 361 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,2,0,0,0,0|2,0,0]=4 362 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,2,0,0,0,0|1,1,0]=4 365 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.3 CCN(C)CCON dca6e8ee84d04b2409e73b61f0963e17 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [0,2,0,0,0,0|2,0,0]=4 369 B7R0.3 CCNCC(C)C#N 1b59514d6c984e33a792bbce41493380 [0,2,0,0,0,0|2,0,0]=4 370 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,2,0,0,0,0|2,0,0]=4 373 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,2,0,0,0,0|1,0,0]=3 375 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,2,0,0,0,0|2,0,0]=4 376 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,2,0,0,0,0|2,0,0]=4 378 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,2,0,0,0,0|1,0,0]=3 381 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,2,0,0,0,0|2,0,0]=4 382 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,2,0,0,0,0|1,0,0]=3 383 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,2,0,0,0,0|2,0,0]=4 385 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [0,2,0,0,0,0|2,0,0]=4 386 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,2,0,0,0,0|2,0,0]=4 387 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,2,0,0,0,0|1,1,0]=4 390 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,2,0,0,0,0|2,0,0]=4 391 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,2,0,0,0,0|1,0,0]=3 394 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,2,0,0,0,0|2,0,0]=4 395 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,2,0,0,0,0|2,0,0]=4 396 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,2,0,0,0,0|1,0,0]=3 397 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,2,0,0,0,0|1,1,0]=4 398 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,2,0,0,0,0|2,0,0]=4 400 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,2,0,0,0,0|1,1,0]=4 401 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,2,0,0,0,0|2,0,0]=4 402 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,2,0,0,0,0|0,0,2]=4 403 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,2,0,0,0,0|1,0,0]=3 404 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,2,0,0,0,0|0,0,0]=2 405 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,2,0,0,0,0|2,0,0]=4 406 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,2,0,0,0,0|1,0,0]=3 407 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,2,0,0,0,0|2,0,0]=4 408 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,2,0,0,0,0|2,0,0]=4 409 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,2,0,0,0,0|1,0,0]=3 410 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,2,0,0,0,0|1,1,0]=4 411 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,2,0,0,0,0|2,0,0]=4 412 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,2,0,0,0,0|1,1,0]=4 414 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,2,0,0,0,0|2,0,0]=4 415 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,2,0,0,0,0|1,0,1]=4 416 B7R0.3 CN(C=O)CCON d47ef5089d159dbeeea35383bc86b277 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [0,2,0,0,0,0|2,0,0]=4 418 B7R0.3 CN(CF)CCON b28b71744b9420d3fe5bec0f9f3e697f [0,2,0,0,0,0|2,0,0]=4 419 B7R0.3 CN(CO)CCC#N e77ebb921e94a58b4ab05bdb73cc9833 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,2,0,0,0,0|1,0,0]=3 421 B7R0.3 CN(CO)CCON 9c2ef7d0d0911f18089b0c9ab5d1316f [0,2,0,0,0,0|1,0,0]=3 422 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [0,2,0,0,0,0|0,0,2]=4 423 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [0,2,0,0,0,0|0,0,2]=4 424 B7R0.3 COC(C)CNC#N 91875f2280c0290e923e7b3aea16a1e4 [0,2,0,0,0,0|1,0,1]=4 425 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.3 COCCN(C)CF cbc818a22d9e0a334cc2dbb905dc990d [0,2,0,0,0,0|2,0,0]=4 428 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.3 COCNC(C)C#N ba246a7aa0bebb2f328a27e597041eea [0,2,0,0,0,0|2,0,0]=4 430 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [0,2,0,0,0,0|1,0,0]=3 431 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [0,2,0,0,0,0|1,0,0]=3 432 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [0,2,0,0,0,0|1,0,0]=3 433 B7R0.3 COCOC(C)C#N 85e904d8cb0c25f94e972581402e1470 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,2,0,0,0,0|1,0,1]=4 435 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,2,0,0,0,0|1,0,1]=4 437 B7R0.3 CO[C@@H](C)CNC#N 874a7eb040c9314a32d3047a8385e5ee [0,2,0,0,0,0|1,0,1]=4 438 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,2,0,0,0,0|0,0,2]=4 439 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [0,2,0,0,0,0|1,0,0]=3 440 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,2,0,0,0,0|0,0,0]=2 441 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,2,0,0,0,0|1,0,0]=3 442 B7R0.3 CO[C@H](C)CNC#N 9e41f009ca9048dba1538743d127a2bb [0,2,0,0,0,0|1,0,1]=4 443 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,2,0,0,0,0|0,0,2]=4 444 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [0,2,0,0,0,0|1,0,0]=3 445 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,2,0,0,0,0|0,0,0]=2 446 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,2,0,0,0,0|1,0,0]=3 447 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [0,2,0,0,0,0|1,1,0]=4 448 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,2,0,0,0,0|1,1,0]=4 449 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,2,0,0,0,0|1,1,0]=4 450 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,2,0,0,0,0|1,1,0]=4 451 B7R0.3 C[C@@H](CO)CNC#N 7a344dd06ac74d3463a9149daec39991 [0,2,0,0,0,0|1,0,1]=4 452 B7R0.3 C[C@@H](CO)NCC#N d8554bf09d9bf0f3b9c5c96f6682e84c [0,2,0,0,0,0|1,0,1]=4 453 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,2,0,0,0,0|0,0,2]=4 454 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [0,2,0,0,0,0|1,0,0]=3 455 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [0,2,0,0,0,0|1,0,0]=3 456 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [0,2,0,0,0,0|1,0,0]=3 457 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,2,0,0,0,0|0,0,0]=2 458 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [0,2,0,0,0,0|0,1,0]=3 459 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,2,0,0,0,0|1,0,1]=4 460 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,2,0,0,0,0|1,0,1]=4 461 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,2,0,0,0,0|1,0,1]=4 462 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,2,0,0,0,0|0,0,1]=3 463 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|0,1,1]=4 464 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,2,0,0,0,0|1,0,1]=4 465 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|0,1,1]=4 466 B7R0.3 C[C@H](CO)CNC#N 2a6f52445ff6cd319e157e5dd9f01c27 [0,2,0,0,0,0|1,0,1]=4 467 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,2,0,0,0,0|0,0,2]=4 468 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [0,2,0,0,0,0|1,0,0]=3 469 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,2,0,0,0,0|0,0,0]=2 470 B7R0.3 C[C@H](CO)NCC#N eeac0d90e9037dcf16f1babdaf474c04 [0,2,0,0,0,0|1,0,1]=4 471 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,2,0,0,0,0|0,0,2]=4 472 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [0,2,0,0,0,0|1,0,0]=3 474 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [0,2,0,0,0,0|1,0,0]=3 475 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,2,0,0,0,0|0,0,0]=2 476 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [0,2,0,0,0,0|0,1,0]=3 477 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [0,2,0,0,0,0|1,1,0]=4 478 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [0,2,0,0,0,0|0,2,0]=4 479 B7R0.3 FCNCC(Br)CBr 1ef63de9bcba29a9921cdc72d2881d43 [0,2,0,0,0,0|2,0,0]=4 480 B7R0.3 FCOCC(Br)CBr 7f15e80ef386e790b46d1e9fe9404558 [0,2,0,0,0,0|2,0,0]=4 481 B7R0.3 FCOCC(Cl)CCl 1e9e33554394af661816cb29dc417019 [0,2,0,0,0,0|2,0,0]=4 482 B7R0.3 FCOCC(S)CS 34815cee2df2ec40989f80ad6dd621e0 [0,2,0,0,0,0|1,1,0]=4 483 B7R0.3 N#CNCC(O)CF 7b3b44a9c67c4c75809e83e31d1158fc [0,2,0,0,0,0|1,0,1]=4 484 B7R0.3 N#CNCC(O)CO 1bc8ac75294ec9680f3f383005d7a739 [0,2,0,0,0,0|1,0,1]=4 485 B7R0.3 N#CNC[C@@H](O)CO 427d3d4c3a35033fd0691c96b7b53cef [0,2,0,0,0,0|1,0,1]=4 486 B7R0.3 N#CNC[C@H](O)CO f528dbe2b23bcf1aa03a29e9a45ba7f4 [0,2,0,0,0,0|1,0,1]=4 487 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [0,2,0,0,0,0|0,0,2]=4 488 B7R0.3 O=C(CNCO)NO be629e88994a31d4135b42794d1a980e [0,2,0,0,0,0|1,0,1]=4 489 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [0,2,0,0,0,0|0,0,2]=4 490 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,2,0,0,0,0|0,0,2]=4 491 B7R0.3 O=CNCC(O)CO f07ee978b5361099ae5463db2d8284c6 [0,2,0,0,0,0|0,0,2]=4 492 B7R0.3 O=CNC[C@@H](O)CO 4afeec0bbb868f60f0a97c37149bb7ed [0,2,0,0,0,0|0,0,2]=4 493 B7R0.3 O=CNC[C@H](O)CO bac710e216d9ff7e3114b1f469852b76 [0,2,0,0,0,0|0,0,2]=4 494 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [0,2,0,0,0,0|2,0,0]=4 495 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,2,0,0,0,0|1,0,0]=3 496 B7R0.3 OCNCC(Br)CBr 7725489d16006f372c378046176c1017 [0,2,0,0,0,0|1,0,0]=3 497 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [0,2,0,0,0,0|1,0,0]=3 498 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,2,0,0,0,0|0,0,0]=2 499 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [0,2,0,0,0,0|1,0,0]=3 500 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,2,0,0,0,0|0,0,0]=2 501 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [0,2,0,0,0,0|1,0,0]=3 502 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,2,0,0,0,0|0,0,0]=2 503 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [0,2,0,0,0,0|2,0,0]=4 504 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,2,0,0,0,0|1,0,0]=3 505 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [0,2,0,0,0,0|2,0,0]=4 506 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,2,0,0,0,0|1,0,0]=3 507 B7R0.5 CC(=O)N(C)CCO ba457e3be79fea19f791558c60ef2a77 [0,2,0,0,0,0|0,0,2]=4 508 B7R0.5 CC(C)C(C)NCF 643136cdaccdc2c2feaceaf8387098cb [0,2,0,0,0,0|2,0,0]=4 509 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,2,0,0,0,0|1,0,0]=3 510 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,2,0,0,0,0|2,0,0]=4 511 B7R0.5 CC(C)N(C)CCF bb72ad0b6f8866b4436bef306a64fc30 [0,2,0,0,0,0|2,0,0]=4 512 B7R0.5 CC(C)N(C)CCO 81a28f5ee4f12e11b2d2f617ef1d3581 [0,2,0,0,0,0|1,0,0]=3 513 B7R0.5 CC(C)N(C)CCS c1764d6a23c86a90688037664afc4e82 [0,2,0,0,0,0|1,1,0]=4 514 B7R0.5 CC(C)[C@@H](C)NCF b41e18f15d7a7a980d0fe6a1eba98267 [0,2,0,0,0,0|2,0,0]=4 515 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,2,0,0,0,0|1,0,0]=3 516 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.5 CC(C)[C@H](C)NCF e48701e9d3440c0ecd05eac322b8d2d3 [0,2,0,0,0,0|2,0,0]=4 518 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,2,0,0,0,0|1,0,0]=3 519 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,2,0,0,0,0|2,0,0]=4 520 B7R0.5 CC(NCF)C(=O)O 678d57d218e04263cf06f7d55d31cd1d [0,2,0,0,0,0|2,0,0]=4 521 B7R0.5 CC(NCO)C(=O)N f8080c17d94f9bd121a85d094899f029 [0,2,0,0,0,0|1,0,1]=4 522 B7R0.5 CC(NCO)C(=O)O fe4a7856b889669392c300fb3cd4873c [0,2,0,0,0,0|1,0,0]=3 523 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [0,2,0,0,0,0|0,0,2]=4 524 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,2,0,0,0,0|1,0,0]=3 525 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,2,0,0,0,0|0,0,0]=2 526 B7R0.5 CC(OCF)C(=O)O 98938b6366d5b1644ffb60bc89cae3d5 [0,2,0,0,0,0|2,0,0]=4 527 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,2,0,0,0,0|1,1,0]=4 528 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,2,0,0,0,0|2,0,0]=4 529 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,2,0,0,0,0|2,0,0]=4 530 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,2,0,0,0,0|2,0,0]=4 531 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,2,0,0,0,0|1,0,0]=3 532 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,2,0,0,0,0|2,0,0]=4 533 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,2,0,0,0,0|2,0,0]=4 534 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,2,0,0,0,0|2,0,0]=4 535 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,2,0,0,0,0|2,0,0]=4 537 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,2,0,0,0,0|1,1,0]=4 539 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,2,0,0,0,0|2,0,0]=4 540 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,2,0,0,0,0|2,0,0]=4 541 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,2,0,0,0,0|2,0,0]=4 542 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,2,0,0,0,0|2,0,0]=4 543 B7R0.5 COCN(C)C(C)C 56238f6328cf364463db0f0876210615 [0,2,0,0,0,0|2,0,0]=4 544 B7R0.5 C[C@@H](NCF)C(=O)O 17fa37c81497338871dce635035053b9 [0,2,0,0,0,0|2,0,0]=4 545 B7R0.5 C[C@@H](NCO)C(=O)N 40aeb7a188f95caf183e4558e0c9a7d0 [0,2,0,0,0,0|1,0,1]=4 546 B7R0.5 C[C@@H](NCO)C(=O)O a97b9962f90d67259e383605fc714644 [0,2,0,0,0,0|1,0,0]=3 547 B7R0.5 C[C@@H](NCO)C(F)F 38642516c345d28e61569cfbe9318217 [0,2,0,0,0,0|2,0,0]=4 548 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,2,0,0,0,0|2,0,0]=4 549 B7R0.5 C[C@H](NCF)C(=O)O 8f95fb8302879a9840726de50eb63034 [0,2,0,0,0,0|2,0,0]=4 550 B7R0.5 C[C@H](NCO)C(=O)N e220146cab979067711359ee78003370 [0,2,0,0,0,0|1,0,1]=4 551 B7R0.5 C[C@H](NCO)C(=O)O 22dff04db3c7b130eddc4a545a3e505d [0,2,0,0,0,0|1,0,0]=3 552 B7R0.5 C[C@H](NCO)C(F)F 5e56f11b7a9591f06cfba0d673d3d347 [0,2,0,0,0,0|2,0,0]=4 553 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,2,0,0,0,0|2,0,0]=4 554 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,2,0,0,0,0|1,0,1]=4 555 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,2,0,0,0,0|1,0,1]=4 556 B7R0.7 C#CCC(C)OCF 16061fafa3f4241ec92e731e35fafd1d [0,2,0,0,0,0|1,0,1]=4 557 B7R0.7 C#CCN(C)CCO 2ad3b74ccac932faf05fc96ebabb73e8 [0,2,0,0,0,0|2,0,0]=4 558 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|1,0,1]=4 559 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,2,0,0,0,0|1,0,1]=4 560 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,2,0,0,0,0|2,0,0]=4 561 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|1,0,1]=4 562 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,2,0,0,0,0|1,0,1]=4 563 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|1,0,1]=4 564 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,2,0,0,0,0|1,0,1]=4 565 B7R0.7 CC(CC#N)NCO 285fc00c27a8813f2c741df2c2c44678 [0,2,0,0,0,0|1,0,1]=4 566 B7R0.7 CC(CC#N)OCF 0972addb855c14f5b1b9ae512dd7d335 [0,2,0,0,0,0|1,0,1]=4 567 B7R0.7 CC(CCO)NC#N e70b82d41e1ede507c7c5722bde31959 [0,2,0,0,0,0|1,0,0]=3 568 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,2,0,0,0,0|0,0,1]=3 569 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,2,0,0,0,0|1,0,0]=3 570 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,2,0,0,0,0|0,0,0]=2 571 B7R0.7 CCCC(C)NC#N 6ccb4a7f9bfbd442a47f4d4e2e5f0f39 [0,2,0,0,0,0|2,0,0]=4 572 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,2,0,0,0,0|1,0,1]=4 573 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,2,0,0,0,0|2,0,0]=4 574 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,2,0,0,0,0|2,0,0]=4 575 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,2,0,0,0,0|1,0,0]=3 576 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,2,0,0,0,0|1,0,0]=3 577 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,2,0,0,0,0|1,0,0]=3 578 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,2,0,0,0,0|2,0,0]=4 579 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,2,0,0,0,0|2,0,0]=4 580 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,2,0,0,0,0|1,0,0]=3 581 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,2,0,0,0,0|1,0,0]=3 582 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,2,0,0,0,0|1,0,1]=4 583 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,2,0,0,0,0|2,0,0]=4 584 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,2,0,0,0,0|2,0,0]=4 585 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,2,0,0,0,0|1,0,0]=3 586 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,2,0,0,0,0|1,0,0]=3 587 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,2,0,0,0,0|1,0,0]=3 588 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,2,0,0,0,0|1,0,0]=3 589 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,2,0,0,0,0|2,0,0]=4 590 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,2,0,0,0,0|1,0,0]=3 591 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,2,0,0,0,0|2,0,0]=4 592 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,2,0,0,0,0|1,0,0]=3 593 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,2,0,0,0,0|2,0,0]=4 594 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,2,0,0,0,0|1,0,1]=4 595 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,2,0,0,0,0|2,0,0]=4 596 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,2,0,0,0,0|2,0,0]=4 597 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,2,0,0,0,0|1,0,1]=4 598 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,2,0,0,0,0|2,0,0]=4 599 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,2,0,0,0,0|2,0,0]=4 601 B7R0.7 CN(CC#N)CCO da549d8b05a367d96c2eb82090c24747 [0,2,0,0,0,0|2,0,0]=4 602 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,2,0,0,0,0|1,0,1]=4 603 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [0,2,0,0,0,0|2,0,0]=4 604 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [0,2,0,0,0,0|1,0,0]=3 605 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,2,0,0,0,0|1,1,0]=4 606 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,2,0,0,0,0|2,0,0]=4 607 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,2,0,0,0,0|1,0,0]=3 608 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,2,0,0,0,0|2,0,0]=4 609 B7R0.7 COCN(C)CCF 462c4168e49a87fc94c059780d3b18c2 [0,2,0,0,0,0|2,0,0]=4 610 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,2,0,0,0,0|1,0,0]=3 611 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,2,0,0,0,0|2,0,0]=4 612 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,2,0,0,0,0|1,0,0]=3 613 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,2,0,0,0,0|2,0,0]=4 614 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,2,0,0,0,0|2,0,0]=4 615 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,2,0,0,0,0|1,0,0]=3 616 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,2,0,0,0,0|2,0,0]=4 617 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,2,0,0,0,0|2,0,0]=4 618 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,2,0,0,0,0|1,1,0]=4 619 B7R0.7 C[C@@H](CC#N)OCF 69332a263c9d59474fcf15322740989a [0,2,0,0,0,0|1,0,1]=4 620 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,2,0,0,0,0|0,0,1]=3 621 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,2,0,0,0,0|1,0,0]=3 622 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,2,0,0,0,0|0,0,0]=2 623 B7R0.7 C[C@H](CC#N)OCF 9dbd768d6224ac240ada1a649aeb97a3 [0,2,0,0,0,0|1,0,1]=4 624 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,2,0,0,0,0|0,0,1]=3 625 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,2,0,0,0,0|1,0,0]=3 626 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,2,0,0,0,0|0,0,0]=2 627 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [0,2,0,0,0,0|1,0,1]=4 628 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [0,2,0,0,0,0|2,0,0]=4 629 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [0,2,0,0,0,0|2,0,0]=4 630 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [0,2,0,0,0,0|2,0,0]=4 631 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [0,2,0,0,0,0|2,0,0]=4 632 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,2,0,0,0,0|1,0,1]=4 633 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,2,0,0,0,0|1,0,1]=4 634 B7R0.11 C#CC(C)(C)NCO fd9eb36b32d713d95dde886926c0c102 [0,2,0,0,0,0|2,0,0]=4 635 B7R0.11 CC(C)(C#N)NCO 4fd94808236110e98a06e3cf014a5bd0 [0,2,0,0,0,0|2,0,0]=4 636 B7R0.11 CC(C)(CF)NCO c940ff355764cfdd76020cc0b4ab5253 [0,2,0,0,0,0|2,0,0]=4 637 B7R0.11 CC(C)(CO)NCF ff77a8ad6259112da8c0c0f8599c831a [0,2,0,0,0,0|2,0,0]=4 638 B7R0.11 CC(C)(CO)NCO 578f64725530e197f863ff1a0df69a3b [0,2,0,0,0,0|1,0,0]=3 639 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [0,2,0,0,0,0|2,0,0]=4 640 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [0,2,0,0,0,0|2,0,0]=4 641 B7R0.12 C=C[C@@H](CO)NCO d2fd6b67e1270056665850c4f76e47e8 [0,2,0,0,0,0|1,0,1]=4 642 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,2,0,0,0,0|2,0,0]=4 643 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [0,2,0,0,0,0|2,0,0]=4 644 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [0,2,0,0,0,0|1,0,0]=3 645 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [0,2,0,0,0,0|2,0,0]=4 646 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [0,2,0,0,0,0|1,0,1]=4 647 B7R0.12 CCN(CC)CCO 3ebc0ce6d105088470f67e45ca611640 [0,2,0,0,0,0|2,0,0]=4 648 B7R0.12 CCN(CF)CCO 94620f9ce7407b818d47be3cba0eb6a5 [0,2,0,0,0,0|2,0,0]=4 649 B7R0.12 CCN(CO)CCCl d55a60f7f194d512983e9fafa067d11c [0,2,0,0,0,0|2,0,0]=4 650 B7R0.12 CCN(CO)CCO 7d4857243f6d87024376644d456f8437 [0,2,0,0,0,0|1,0,0]=3 651 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,2,0,0,0,0|2,0,0]=4 652 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [0,2,0,0,0,0|2,0,0]=4 653 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,2,0,0,0,0|2,0,0]=4 654 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [0,2,0,0,0,0|1,0,0]=3 657 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [0,2,0,0,0,0|2,0,0]=4 658 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [0,2,0,0,0,0|1,0,0]=3 659 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,2,0,0,0,0|1,0,1]=4 660 B7R0.12 OCC(CO)NCF dacc789514f2a3ea025a73d05b6732a8 [0,2,0,0,0,0|2,0,0]=4 661 B7R0.12 OCCN(CO)CF 94232a15791d81cb37b410703626fccb [0,2,0,0,0,0|1,0,0]=3 662 B7R0.12 OCCN(CO)CO af187b1f9b2cead4db8e768592df40f7 [0,2,0,0,0,0|1,0,0]=3 663 B7R0.12 OCNC(CO)CO eaa00950e285c87d17b1d0c52282992e [0,2,0,0,0,0|1,0,0]=3 664 B7R0.14 CN(CO)C(C)(C)C 3ca3e9150fd005aa114afb95e9a613ad [0,2,0,0,0,0|2,0,0]=4 665 B7R0.15 CCN(CO)C(C)C 2e5cc72f2eec9d2d5cbf0a379e663ee8 [0,2,0,0,0,0|2,0,0]=4 666 B7R0.4 C#CCCNC(C)C 4f43d4aa609bb85ba1ce2df12e95dc64 [0,2,0,0,0,0|2,0,0]=4 667 B7R0.4 C#CCCOC(C)C 742a793a3d568179dfa9ddcdeebb6426 [0,2,0,0,0,0|2,0,0]=4 668 B7R0.4 C#CCNCC(C)C 211a4a57c09fb23261da854e91255de6 [0,2,0,0,0,0|2,0,0]=4 669 B7R0.4 C#CCNCC(C)O f4d872dd00b0a2e0a49423bedd0911d9 [0,2,0,0,0,0|1,0,0]=3 670 B7R0.4 C#CCNC[C@@H](C)O 48ca2cffdb002fd4c5435c3cab817ac3 [0,2,0,0,0,0|1,0,0]=3 671 B7R0.4 C#CCNC[C@H](C)O 3540d80288db26ec22a5ecfb25fe8093 [0,2,0,0,0,0|1,0,0]=3 672 B7R0.4 C#CCOCC(C)C 7b3dff03c4339e6282faa453495ddd1d [0,2,0,0,0,0|2,0,0]=4 673 B7R0.4 C#CCOCC(C)F 24ac5988e74e062c824d7dd007337322 [0,2,0,0,0,0|2,0,0]=4 674 B7R0.4 C#CCOCC(C)S e8c23b3f60ec0b23e4801132bf3e2b9b [0,2,0,0,0,0|1,1,0]=4 675 B7R0.4 C#CCOC[C@@H](C)F db02bd9289832c68ea593e6f638a9e82 [0,2,0,0,0,0|2,0,0]=4 676 B7R0.4 C#CCOC[C@H](C)F fae2a0f25c10dfc4aa49f0e272066171 [0,2,0,0,0,0|2,0,0]=4 677 B7R0.4 C=C(C)CCNCO 1d4b0607e3d83a5f4006eff6bc7727ff [0,2,0,0,0,0|1,0,1]=4 678 B7R0.4 C=C(C)CCOCC be6e22e1c69b2a68ed5204ad177f8dbf [0,2,0,0,0,0|1,0,1]=4 679 B7R0.4 C=C(C)CCOCF 57a19209df87575c4f19afbce5b99e6c [0,2,0,0,0,0|1,0,1]=4 680 B7R0.4 C=C(C)CNCCO 7142f744ef151de1633254d1c7f42004 [0,2,0,0,0,0|1,0,1]=4 681 B7R0.4 C=C(C)CNCOC 56824e1f14264a8b23f8809f8827c008 [0,2,0,0,0,0|1,0,1]=4 682 B7R0.4 C=C(C)COCOC 43819766e7dcc16b61a9eda64a28704b [0,2,0,0,0,0|1,0,1]=4 683 B7R0.4 C=CCCNC(C)C b52c7765f384ae2bfbfea60738f06e8b [0,2,0,0,0,0|2,0,0]=4 684 B7R0.4 C=CCCOC(C)C 1236c8c26ebbecb079980edfed00132c [0,2,0,0,0,0|2,0,0]=4 685 B7R0.4 C=CCNCC(C)C 7f73adb711a665b808680f9f4e975092 [0,2,0,0,0,0|2,0,0]=4 686 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [0,2,0,0,0,0|1,0,0]=3 688 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [0,2,0,0,0,0|1,0,0]=3 689 B7R0.4 C=CCOCC(C)C 430e26f15a2ffd69e16a09cb44866cd6 [0,2,0,0,0,0|2,0,0]=4 690 B7R0.4 C=CCOCC(C)F db539a456bd6752ebe10d7b23c41a2c2 [0,2,0,0,0,0|2,0,0]=4 691 B7R0.4 C=CCOCC(C)S c0443280688281fff6bac011768c9c1b [0,2,0,0,0,0|1,1,0]=4 692 B7R0.4 C=CCOC[C@@H](C)F 6fbef7cd23b7ad6df74ff1c9ada25c26 [0,2,0,0,0,0|2,0,0]=4 693 B7R0.4 C=CCOC[C@H](C)F ee8f1a8a998027f3ef4fed8e2898cb78 [0,2,0,0,0,0|2,0,0]=4 694 B7R0.4 CC(=CCNCO)C cd77ec809019dfe355bce493304b24df [0,2,0,0,0,0|1,0,1]=4 695 B7R0.4 CC(=O)CCOCF 82d7d90cce95d3fcb1e3ec26261601b7 [0,2,0,0,0,0|0,0,2]=4 696 B7R0.4 CC(=O)CNCCO 86398d1823d67bf69cb8819c5f41ae7a [0,2,0,0,0,0|0,0,2]=4 697 B7R0.4 CC(=O)NCCCO cd01194a1a55a891decb932ba2d96e97 [0,2,0,0,0,0|0,0,2]=4 698 B7R0.4 CC(=O)NCCON b144d6b267eb86a17759cca31656c8af [0,2,0,0,0,0|0,0,2]=4 699 B7R0.4 CC(C)CCNC#N 7936536f733b5b6191344eccb1c2de4e [0,2,0,0,0,0|2,0,0]=4 700 B7R0.4 CC(C)CCNC=O 8fb8d2f77b8e7548ff10a901f65a6a2b [0,2,0,0,0,0|1,0,1]=4 701 B7R0.4 CC(C)CCNCF 7f725eaafe57b21e0294a49a9a15ea60 [0,2,0,0,0,0|2,0,0]=4 702 B7R0.4 CC(C)CCNCO 55d154c6198aa4781c1600237013f9c3 [0,2,0,0,0,0|1,0,0]=3 703 B7R0.4 CC(C)CCOCF 5c4beb2cb4fc50a6f233dfe91cf9c945 [0,2,0,0,0,0|1,0,0]=3 704 B7R0.4 CC(C)CNCC#N adf92d7ae9fba28ad17a528a9bd32f1b [0,2,0,0,0,0|2,0,0]=4 705 B7R0.4 CC(C)CNCC=O e2e655e4d2528bc07c0e7e73f520729a [0,2,0,0,0,0|1,0,1]=4 706 B7R0.4 CC(C)CNCCBr 92559cb2ebacf0b0f5c92d38f861f670 [0,2,0,0,0,0|2,0,0]=4 707 B7R0.4 CC(C)CNCCF 14de296bc1a413c56debcce38ccc407f [0,2,0,0,0,0|2,0,0]=4 708 B7R0.4 CC(C)CNCCI 0dda19f31a767f7ffd847981f58c8b5f [0,2,0,0,0,0|2,0,0]=4 709 B7R0.4 CC(C)CNCCO bc40b3ae5c3a6adde3dd753071b81161 [0,2,0,0,0,0|1,0,0]=3 710 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [0,2,0,0,0,0|1,1,0]=4 711 B7R0.4 CC(C)COCC#N 7cb07814ea2e3e867e4666ea75f57343 [0,2,0,0,0,0|2,0,0]=4 712 B7R0.4 CC(C)COCC=O bd41a1e672abb592bd026a120b038c2b [0,2,0,0,0,0|1,0,1]=4 713 B7R0.4 CC(C)COCCF 83bb949d8c551562556937d0600d6efb [0,2,0,0,0,0|2,0,0]=4 714 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [0,2,0,0,0,0|1,1,0]=4 715 B7R0.4 CC(C)NCCC#N d4400c07b449260898c72fb360a960eb [0,2,0,0,0,0|2,0,0]=4 716 B7R0.4 CC(C)NCCCCl 1f7b6a1eb64f799a69aafcb62f78849f [0,2,0,0,0,0|2,0,0]=4 717 B7R0.4 CC(C)NCCCO 8da9f776dfc6acc6ee817ae96d2c50e4 [0,2,0,0,0,0|1,0,0]=3 718 B7R0.4 CC(C)NCCON 0430106bca7b178ac757feef5057edc3 [0,2,0,0,0,0|1,0,0]=3 719 B7R0.4 CC(C)OCCC#N fd21c0fde146e79c4d1d9956f568a2be [0,2,0,0,0,0|2,0,0]=4 720 B7R0.4 CC(C)OCCC=O ccbf2d62dbd49bddcfe1567d50bb806b [0,2,0,0,0,0|1,0,1]=4 721 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [0,2,0,0,0,0|2,0,0]=4 722 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [0,2,0,0,0,0|1,1,0]=4 723 B7R0.4 CC(F)COCC#N a50055924fe80e5e23e6e4b90c544f3c [0,2,0,0,0,0|2,0,0]=4 724 B7R0.4 CC(F)COCC=O b46e29d4101a17f157843c4bdc730f6e [0,2,0,0,0,0|1,0,1]=4 725 B7R0.4 CC(F)COCCF 116a6a3052c8de49db4f34ae9008ac78 [0,2,0,0,0,0|2,0,0]=4 726 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [0,2,0,0,0,0|1,1,0]=4 727 B7R0.4 CC(O)CCNC#N f9e561d086833240e2e332e197eda42d [0,2,0,0,0,0|1,0,0]=3 728 B7R0.4 CC(O)CCNC=O 7d16a38d54e5204f080aee8a4fea20ce [0,2,0,0,0,0|0,0,1]=3 729 B7R0.4 CC(O)CCNCF 89c40e30e417fcb37a374a94c2ef248d [0,2,0,0,0,0|1,0,0]=3 730 B7R0.4 CC(O)CCNCO 9f501543a06bdc8213f2c63cd9b34692 [0,2,0,0,0,0|0,0,0]=2 731 B7R0.4 CC(O)CNCC#N c277ed23b2388d99b8c551bcc91bf2d2 [0,2,0,0,0,0|1,0,0]=3 732 B7R0.4 CC(O)CNCC=O 944b3483ce03d29e552c3844291f44b6 [0,2,0,0,0,0|0,0,1]=3 733 B7R0.4 CC(O)CNCCBr 154eb4d8643396dfb29e9b52415c8302 [0,2,0,0,0,0|1,0,0]=3 734 B7R0.4 CC(O)CNCCF 8d5077fa916d6fe4d2601be7b7e92fe0 [0,2,0,0,0,0|1,0,0]=3 735 B7R0.4 CC(O)CNCCI 066a03933ac8e01fd84516db90bd80b4 [0,2,0,0,0,0|1,0,0]=3 736 B7R0.4 CC(O)CNCCO 8f4ae016359cb69f6b81e6aefbfc1a34 [0,2,0,0,0,0|0,0,0]=2 737 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [0,2,0,0,0,0|0,1,0]=3 738 B7R0.4 CC(S)COCC#N 8408de29b1c2dba038610c9179acde99 [0,2,0,0,0,0|1,1,0]=4 739 B7R0.4 CC(S)COCC=O 15ebcb7a251dae8d81b8432f521474d6 [0,2,0,0,0,0|0,1,1]=4 740 B7R0.4 CC(S)COCCF c5074ee60aeb4c30ed588360445a5de7 [0,2,0,0,0,0|1,1,0]=4 741 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [0,2,0,0,0,0|0,2,0]=4 742 B7R0.4 CCCCNC(C)C 9cc424b21c3c2f75d1871abbaf0e1d28 [0,2,0,0,0,0|2,0,0]=4 743 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [0,2,0,0,0,0|2,0,0]=4 744 B7R0.4 CCCNCC(C)C 639a6b9872838fc9d4295ca1293ac6f5 [0,2,0,0,0,0|2,0,0]=4 745 B7R0.4 CCCNCC(C)O daf3f68aedcfe9daf2326198322724f7 [0,2,0,0,0,0|1,0,0]=3 746 B7R0.4 CCCNC[C@@H](C)O 69c59cd948a0a2ada3b8c8ccb896baca [0,2,0,0,0,0|1,0,0]=3 747 B7R0.4 CCCNC[C@H](C)O 72915868db71c51258a7b619113cc692 [0,2,0,0,0,0|1,0,0]=3 748 B7R0.4 CCCOCC(C)C 519497356751b621892cf233de56054b [0,2,0,0,0,0|2,0,0]=4 749 B7R0.4 CCCOCC(C)F dd29a194f54e9c80d8edf1f9d80b8d74 [0,2,0,0,0,0|2,0,0]=4 750 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [0,2,0,0,0,0|1,1,0]=4 751 B7R0.4 CCCOC[C@@H](C)F 3e309754c30a5b79d5dc25a5081557ca [0,2,0,0,0,0|2,0,0]=4 752 B7R0.4 CCCOC[C@H](C)F 383eac738512a675ea10661fb503a531 [0,2,0,0,0,0|2,0,0]=4 753 B7R0.4 CCNCCC(C)C 2bf33aa7c5d7ca27e591c3649dacf1c3 [0,2,0,0,0,0|2,0,0]=4 754 B7R0.4 CCNCCC(C)O 5c499b0d9d47b4ec3e33a3826caf6cf9 [0,2,0,0,0,0|1,0,0]=3 755 B7R0.4 CCNCC[C@@H](C)O 813fcf5ff2ae94275024925d2e59da87 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.4 CCNCC[C@H](C)O ad44c8835227c03e0dd7a910fcfe11b6 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [0,2,0,0,0,0|0,0,2]=4 758 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [0,2,0,0,0,0|1,0,1]=4 759 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [0,2,0,0,0,0|1,0,0]=3 760 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [0,2,0,0,0,0|2,0,0]=4 761 B7R0.4 CCOCCN(C)C ea980176db95d583c8d1c23fca0674af [0,2,0,0,0,0|2,0,0]=4 762 B7R0.4 CCOCCS(=O)C 8e6e406da58bf76b276c249a0b39af9d [0,2,0,0,0,0|1,0,1]=4 763 B7R0.4 CCOCOC(C)C fcb36bcabbd9c702db3bb59956b361ad [0,2,0,0,0,0|2,0,0]=4 764 B7R0.4 CN(C)CCNCO bd0d691a6fbaf02bba808128b7b4eb38 [0,2,0,0,0,0|2,0,0]=4 765 B7R0.4 CN(C)CCOCF 8b70b7812206c4d5ded6c185d6862be3 [0,2,0,0,0,0|2,0,0]=4 766 B7R0.4 CN(C)CNCCO da608adf367147e04fa4316e70ab8593 [0,2,0,0,0,0|2,0,0]=4 767 B7R0.4 COCCNC(=O)C e9eb3353d96003a03a149314e2f5662c [0,2,0,0,0,0|0,0,2]=4 768 B7R0.4 COCCNC(C)C 0e10ac0a5c18c9b5426d9b26a3199f23 [0,2,0,0,0,0|1,0,0]=3 769 B7R0.4 COCCOC(C)C 66ff9033a5dadbe3413ec342d9a7c9fe [0,2,0,0,0,0|1,0,0]=3 770 B7R0.4 COCNCC(=O)C 1d22e2faae89557d184e6b77c70e18b9 [0,2,0,0,0,0|0,0,2]=4 771 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [0,2,0,0,0,0|1,0,1]=4 772 B7R0.4 COCNCC(C)C 8a41f842449ec7e26a630827b8975a34 [0,2,0,0,0,0|1,0,0]=3 773 B7R0.4 COCNCC(C)O 7cd2bebbda561fed9f8727c3c28ad38e [0,2,0,0,0,0|0,0,0]=2 774 B7R0.4 COCNCC(F)F 7ac3b930a04e1976065f1508912ca121 [0,2,0,0,0,0|2,0,0]=4 775 B7R0.4 COCNC[C@@H](C)O 1cb4b03583e52c6b50718208a2374249 [0,2,0,0,0,0|0,0,0]=2 776 B7R0.4 COCNC[C@H](C)O f3446f550f05f70b23e0d39223deb3a4 [0,2,0,0,0,0|0,0,0]=2 777 B7R0.4 COCOCC(=O)C 6ffd083eff8647662229227253b2a8dc [0,2,0,0,0,0|0,0,2]=4 778 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [0,2,0,0,0,0|1,0,1]=4 779 B7R0.4 COCOCC(C)C 61a68151721001e97ead89f074e554c8 [0,2,0,0,0,0|1,0,0]=3 780 B7R0.4 COCOCC(C)F 8914da36a6668652f42dd48a2de189ef [0,2,0,0,0,0|1,0,0]=3 781 B7R0.4 COCOCC(C)S e066c7f9b17ffc4be78eeceab96a73b5 [0,2,0,0,0,0|0,1,0]=3 782 B7R0.4 COCOCC(F)F f3ba6ff0889af417f90d77fc2d38e726 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.4 COCOCN(C)C 2b73113c43069b14e14fe8858206fc7d [0,2,0,0,0,0|2,0,0]=4 784 B7R0.4 COCOCS(=O)O 5b78f1d6000a1c6ff13d9dbfa3cb959d [0,2,0,0,0,0|2,0,0]=4 785 B7R0.4 COCOC[C@@H](C)F 6545045391d8f6ced82f2bf093ba89e0 [0,2,0,0,0,0|1,0,0]=3 786 B7R0.4 COCOC[C@H](C)F 79bbf51d9f1999e8364c46bd7028ac05 [0,2,0,0,0,0|1,0,0]=3 787 B7R0.4 CS(=O)CCNCO fdcf9e99993e02a092ff2e9d4ac90523 [0,2,0,0,0,0|1,0,1]=4 788 B7R0.4 CS(=O)CCOCF 834c76934e51318a147a2d0ae2e7b4a6 [0,2,0,0,0,0|1,0,1]=4 789 B7R0.4 CSCCNC(C)C 145dbc599c93a8d182d58abe78ded108 [0,2,0,0,0,0|1,1,0]=4 790 B7R0.4 CSCCOC(C)C 898b6e38b775cb6892ffe8b724ad6a1f [0,2,0,0,0,0|1,1,0]=4 791 B7R0.4 CSCNCC(C)C af947b38f43b5b920a6aa47378596e00 [0,2,0,0,0,0|1,1,0]=4 792 B7R0.4 CSCNCC(C)O 50c1b0ff20ccca0fd478dfcc8b4f1dd9 [0,2,0,0,0,0|0,1,0]=3 793 B7R0.4 CSCNC[C@@H](C)O 8109ab425e83ef9eeeaf7082857cd6a2 [0,2,0,0,0,0|0,1,0]=3 794 B7R0.4 CSCNC[C@H](C)O d2099554b3b9b6b9132d0066d20c97d5 [0,2,0,0,0,0|0,1,0]=3 795 B7R0.4 CSCOCC(C)C 2e75b1421641e4cf6bcc7f6e6907b733 [0,2,0,0,0,0|1,1,0]=4 796 B7R0.4 CSCOCC(C)F 53f1875474e3b9bdff910b92b60ba853 [0,2,0,0,0,0|1,1,0]=4 797 B7R0.4 CSCOCC(C)S f9be698c7d26541eb43c0e631766ae27 [0,2,0,0,0,0|0,2,0]=4 798 B7R0.4 CSCOC[C@@H](C)F 0136a6bbb00194305a65bf070cb3d15d [0,2,0,0,0,0|1,1,0]=4 799 B7R0.4 CSCOC[C@H](C)F 7813ba3f17ca085b20bd9c5ced200835 [0,2,0,0,0,0|1,1,0]=4 800 B7R0.4 C[C@@H](F)COCC#N 08d0d31917ae78b12467dce063805972 [0,2,0,0,0,0|2,0,0]=4 801 B7R0.4 C[C@@H](F)COCC=O dfd322669411a585629980eb6b5be0dd [0,2,0,0,0,0|1,0,1]=4 802 B7R0.4 C[C@@H](F)COCCF 3110bb67cbd1b2e85d385d6e3d35756e [0,2,0,0,0,0|2,0,0]=4 803 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [0,2,0,0,0,0|1,1,0]=4 804 B7R0.4 C[C@@H](O)CCNC=O 063b940170a2cb4a98efeca14a33a52e [0,2,0,0,0,0|0,0,1]=3 805 B7R0.4 C[C@@H](O)CCNCF a171060e7cef636674fdc1d5de7e9c7f [0,2,0,0,0,0|1,0,0]=3 806 B7R0.4 C[C@@H](O)CCNCO 9ba5901b9598bb8b83a8e89d75299d06 [0,2,0,0,0,0|0,0,0]=2 807 B7R0.4 C[C@@H](O)CNCC#N 7bfb086c42a4594c4cffb6ccfda3da8f [0,2,0,0,0,0|1,0,0]=3 808 B7R0.4 C[C@@H](O)CNCC=O ae52f375140c99168e4849031ee267c7 [0,2,0,0,0,0|0,0,1]=3 809 B7R0.4 C[C@@H](O)CNCCBr 476a86534856a9aae2ef8f7279b31cfb [0,2,0,0,0,0|1,0,0]=3 810 B7R0.4 C[C@@H](O)CNCCF 87507f8dca39fc70cc21fdf67bae8912 [0,2,0,0,0,0|1,0,0]=3 811 B7R0.4 C[C@@H](O)CNCCI 9587776e701d797d457867258d4fc89b [0,2,0,0,0,0|1,0,0]=3 812 B7R0.4 C[C@@H](O)CNCCO baa562baabf5c8a48c20282a5a246002 [0,2,0,0,0,0|0,0,0]=2 813 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [0,2,0,0,0,0|0,1,0]=3 814 B7R0.4 C[C@H](F)COCC#N 03e336d3456086811b7fb198988f0b95 [0,2,0,0,0,0|2,0,0]=4 815 B7R0.4 C[C@H](F)COCC=O 41a7eddb5d50f5c0a8a1cffec2a2d618 [0,2,0,0,0,0|1,0,1]=4 816 B7R0.4 C[C@H](F)COCCF e0cc26a0b5d222012ac2289b3b46d0f6 [0,2,0,0,0,0|2,0,0]=4 817 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [0,2,0,0,0,0|1,1,0]=4 818 B7R0.4 C[C@H](O)CCNC=O cef20fefdcc1f37d90fc224277e1f868 [0,2,0,0,0,0|0,0,1]=3 819 B7R0.4 C[C@H](O)CCNCF cf7b969aa5132fd62a51c70fbb4e55b6 [0,2,0,0,0,0|1,0,0]=3 820 B7R0.4 C[C@H](O)CCNCO 0826a81a1bc46286726529223d9bf47c [0,2,0,0,0,0|0,0,0]=2 821 B7R0.4 C[C@H](O)CNCC#N 1a04464fa2dc47027bc54412001f6fce [0,2,0,0,0,0|1,0,0]=3 822 B7R0.4 C[C@H](O)CNCC=O 58f727508ba2f4be3dc454ceda8497a8 [0,2,0,0,0,0|0,0,1]=3 823 B7R0.4 C[C@H](O)CNCCBr d8130b56183e44282fb663631b483d0a [0,2,0,0,0,0|1,0,0]=3 824 B7R0.4 C[C@H](O)CNCCF 8a00c7ca22c55b9ee2846de53781405a [0,2,0,0,0,0|1,0,0]=3 825 B7R0.4 C[C@H](O)CNCCI 94327fd285e5b15f8455d211a6b18583 [0,2,0,0,0,0|1,0,0]=3 826 B7R0.4 C[C@H](O)CNCCO da7e3a0fa5cde405013af45ae4f5815a [0,2,0,0,0,0|0,0,0]=2 827 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [0,2,0,0,0,0|0,1,0]=3 828 B7R0.4 FCOCCC(F)F c570be3bce6e9c5b08afdf06de91b339 [0,2,0,0,0,0|2,0,0]=4 829 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [0,2,0,0,0,0|1,0,1]=4 830 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [0,2,0,0,0,0|1,0,1]=4 831 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [0,2,0,0,0,0|1,0,1]=4 832 B7R0.4 O=S(O)CCNCO fb9e10441f05965bf0dcfe0aab296669 [0,2,0,0,0,0|2,0,0]=4 833 B7R0.4 OCCNCC(F)F 024302a0340b34702e94d843b11797e0 [0,2,0,0,0,0|2,0,0]=4 834 B7R0.4 OCNCCC(F)F 6ab11325c4893be6b016d91b3c022661 [0,2,0,0,0,0|2,0,0]=4 835 B7R0.6 CC(=O)NCC(C)O 0ffb7326836e65b1a201fca72ad947e5 [0,2,0,0,0,0|0,0,2]=4 836 B7R0.6 CC(=O)NC[C@@H](C)O f988b940337d1dc00ccd246da11ece9f [0,2,0,0,0,0|0,0,2]=4 837 B7R0.6 CC(=O)NC[C@H](C)O 1a6130441852f98535cb020ca3c20f02 [0,2,0,0,0,0|0,0,2]=4 838 B7R0.6 CC(C)CNC(C)C 196a13ba094adf361c17685c0872f24d [0,2,0,0,0,0|2,0,0]=4 839 B7R0.6 CC(C)COC(C)C 77eecc331fd01778c375925278ff8a8b [0,2,0,0,0,0|2,0,0]=4 840 B7R0.6 CC(C)NCC(=O)O 43feb4147baaae13baaa9c5f09499603 [0,2,0,0,0,0|1,0,1]=4 841 B7R0.6 CC(C)NCC(F)F e16f4a2920b36a22dd7fc9f2f8c67c3b [0,2,0,0,0,0|2,0,0]=4 842 B7R0.6 CC(C)NC[C@@H](C)O 78cb9f10bba40f82bff406bb1347d28d [0,2,0,0,0,0|1,0,0]=3 843 B7R0.6 CC(C)NC[C@H](C)O 0239ae5afc06334e0336f0743f1e175c [0,2,0,0,0,0|1,0,0]=3 844 B7R0.6 CC(C)OCC(=O)O 4f99bad05a342ea59eb9c6b2912ac68e [0,2,0,0,0,0|1,0,1]=4 845 B7R0.6 CC(C)OCC(F)F 3a22706a89b0937c0849011a08e51b94 [0,2,0,0,0,0|2,0,0]=4 846 B7R0.6 CC(C)OCS(=O)O dcec0ddacfe27b8d3be4af6ba949ffc8 [0,2,0,0,0,0|2,0,0]=4 847 B7R0.6 CC(C)OC[C@@H](C)F 20a173ffcc76fe6afc30e0651bd85f9b [0,2,0,0,0,0|2,0,0]=4 848 B7R0.6 CC(C)OC[C@H](C)F 68e099b1d0df355662b96af0ef440aac [0,2,0,0,0,0|2,0,0]=4 849 B7R0.6 CC(F)COC(C)C 0baa8e540b95c92b06f0417877dbd740 [0,2,0,0,0,0|2,0,0]=4 850 B7R0.6 CC(O)CNC(C)C 67ac451099c111ca9b4a88e10960d432 [0,2,0,0,0,0|1,0,0]=3 851 B7R0.6 CC(S)COC(C)C 57c18a958d625f63860f9eb7db36a7e5 [0,2,0,0,0,0|1,1,0]=4 852 B7R0.8 CC(C)(Br)COCF a2ed6a616d532f8faaded75f8946e86e [0,2,0,0,0,0|2,0,0]=4 853 B7R0.8 CC(C)(C)CNCF b4c56cbeef23e3f51f1c67efe05a42df [0,2,0,0,0,0|2,0,0]=4 854 B7R0.8 CC(C)(C)CNCO c1ca679419b7e4db6816982a0d672727 [0,2,0,0,0,0|1,0,0]=3 855 B7R0.8 CC(C)(C)COCF 57dd80210ffbd1c389fc6f81c3e76251 [0,2,0,0,0,0|2,0,0]=4 856 B7R0.8 CC(C)(C)NCCF c88c802f8761b836dd4a8f5e773aa49e [0,2,0,0,0,0|2,0,0]=4 857 B7R0.8 CC(C)(C)NCCO 75b47887fe68bbe774c0a4c47f9d7af9 [0,2,0,0,0,0|1,0,0]=3 858 B7R0.8 CC(C)(C)NCCS 135c0df2231a86212e34458e8817f18c [0,2,0,0,0,0|1,1,0]=4 859 B7R0.8 CC(C)(F)COCF c2c8aa5e71579bf523c1627a80567a99 [0,2,0,0,0,0|2,0,0]=4 860 B7R0.8 CC(C)(O)CNC#N 8911c79fc88a2775e68fc9415a4a7518 [0,2,0,0,0,0|1,0,1]=4 861 B7R0.8 CC(C)(O)CNC=O 342a9b6d29541cfeadb382656f3815a5 [0,2,0,0,0,0|0,0,2]=4 862 B7R0.8 CC(C)(O)CNCF 95345509a679e8693329bc205f023ca6 [0,2,0,0,0,0|1,0,0]=3 863 B7R0.8 CC(C)(O)CNCO d699f26def379d72c9f3d780e8ba9c29 [0,2,0,0,0,0|0,0,0]=2 864 B7R0.8 CC(C)(S)COCF 5e5d9df6938dea8946b0e42a96b28fba [0,2,0,0,0,0|1,1,0]=4 865 B7R0.8 CC(F)(F)COCF 4195a39689eac05fc3a40e8b67d2ad2d [0,2,0,0,0,0|2,0,0]=4 866 B7R0.8 CCCNC(C)(C)C 1cb59707d776cfed599d4d0bd4c6e7fe [0,2,0,0,0,0|2,0,0]=4 867 B7R0.8 CCNCC(C)(C)C 1a60db159250e75c4f3bd43804435dab [0,2,0,0,0,0|2,0,0]=4 868 B7R0.8 CCNCC(C)(C)O 3f0e3cd5306f6e0eea72b143c91acc39 [0,2,0,0,0,0|1,0,0]=3 869 B7R0.8 CCOCC(C)(C)Br c5fd84cd204c784fac27f51432de2345 [0,2,0,0,0,0|2,0,0]=4 870 B7R0.8 CCOCC(C)(C)C cbc6e6dff9d30de641f2a7020db5e172 [0,2,0,0,0,0|2,0,0]=4 871 B7R0.8 CCOCC(C)(C)F 4ceebf68b1b3af46558065e266734baa [0,2,0,0,0,0|2,0,0]=4 872 B7R0.8 CCOCC(C)(C)S a7e0d94172e2fed0c574a998a7210b49 [0,2,0,0,0,0|1,1,0]=4 873 B7R0.8 COCNC(C)(C)C a4cfaef5ba15ef99baf838799ea7f8ef [0,2,0,0,0,0|2,0,0]=4 874 B7R0.8 O=S(=O)(O)CNCO 423f9b4bc47552a40f5125b8cb5a3832 [0,2,0,0,0,0|2,0,0]=4 875 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,1,0,1,0,0|1,1,0]=4 876 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [0,1,0,1,0,0|2,0,0]=4 877 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,1,0,1,0,0|1,0,0]=3 878 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,1,0,1,0,0|2,0,0]=4 879 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [0,1,0,1,0,0|2,0,0]=4 880 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [0,1,0,1,0,0|2,0,0]=4 881 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [0,1,0,1,0,0|2,0,0]=4 882 B7R1.5 FCN[C@@H]1C[C@H]1F 85280cfa96aef3574f1a732db8092b29 [0,1,0,1,0,0|2,0,0]=4 883 B7R1.5 FCN[C@H]1C[C@@H]1F 1f63cb641d6bd19939755765aa7189cf [0,1,0,1,0,0|2,0,0]=4 884 B7R1.5 FCN[C@H]1C[C@H]1F 2caca4e65c5956ad486cd33521d8a5ac [0,1,0,1,0,0|2,0,0]=4 885 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [0,1,0,1,0,0|1,0,0]=3 886 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [0,1,0,1,0,0|1,0,0]=3 887 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [0,1,0,1,0,0|1,0,0]=3 888 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [0,1,0,1,0,0|2,0,0]=4 889 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,1,0,0|2,0,0]=4 890 B7R1.6 FCNC1COC1 0688b607086181c74c3be657cc5d310c [0,1,0,1,0,0|2,0,0]=4 891 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [0,1,0,1,0,0|2,0,0]=4 892 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [0,1,0,1,0,0|2,0,0]=4 893 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,1,0,1,0,0|2,0,0]=4 894 B7R1.6 OCNC1COC1 70c7bde4c76017dd84cc14dbc8c4b262 [0,1,0,1,0,0|1,0,0]=3 895 B7R1.10 CCN1CC(C1)F 32dfb695f78a1b5517c30939c82ebced [0,1,0,1,0,0|2,0,0]=4 896 B7R1.10 CCN1CC(C1)O 64169be24f24ac0d0d4e63cfda9c5a6f [0,1,0,1,0,0|1,0,0]=3 897 B7R1.10 FCN1CC(C1)F 9d65814a937cc70495afa4b165d3de7e [0,1,0,1,0,0|2,0,0]=4 898 B7R1.10 O=CN1CC(C1)O c56a5fb25f079a78b4196509b3241e16 [0,1,0,1,0,0|0,0,2]=4 899 B7R1.10 OC1CN(C1)CF 00533f4df47086d1b9435610d4d9a2c0 [0,1,0,1,0,0|1,0,0]=3 900 B7R1.10 OCN1CC(C1)F 19e43561c9bc42c0c5d943ae8dadd218 [0,1,0,1,0,0|1,0,0]=3 901 B7R1.10 OCN1CC(C1)O 9ae7c55c7b7297a67fda8e2d11f0601d [0,1,0,1,0,0|0,0,0]=2 902 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [0,1,0,1,0,0|2,0,0]=4 903 B7R1.22 CN(CO)C1CC1 6f2172a1520d8d373b29f297b52bc26d [0,1,0,1,0,0|2,0,0]=4 904 B7R1.20 CC(C)NC1CC1 42821cd4935984c3074bdbd29bffeb6b [0,1,0,1,0,0|2,0,0]=4 905 B7R1.20 CC(C)OC1CC1 2ba1c960117d477fcaacedd25b727831 [0,1,0,1,0,0|2,0,0]=4 906 B7R1.18 CC(C)N1CCC1 d44ed514bb3d90dbfe71cc985ec56a8b [0,1,0,1,0,0|2,0,0]=4 907 B7R1.23 CC1(CN1CF)C fef1f23f1b47177073871a5580ee83cf [0,1,0,1,0,0|2,0,0]=4 908 B7R1.23 CC1(CN1CO)C e0279fee84fe6f7f5186cbf1fccd93be [0,1,0,1,0,0|1,0,0]=3 909 B7R1.23 CCN1CC1(C)C c470c4a7bc80dec5721690a60993dfb1 [0,1,0,1,0,0|2,0,0]=4 910 B7R1.7 BrCCNC1CC1 1393b058767cc277491294f53cdb074c [0,1,0,1,0,0|2,0,0]=4 911 B7R1.7 CCCNC1CC1 ccd7cbe1c58ebed6997b07f91e0c6017 [0,1,0,1,0,0|2,0,0]=4 912 B7R1.7 CCCOC1CC1 1605df6110acb8784adb6061f4289edf [0,1,0,1,0,0|2,0,0]=4 913 B7R1.7 CCNCC1CC1 94bf8bf2338afb688443da3f753f1292 [0,1,0,1,0,0|2,0,0]=4 914 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [0,1,0,1,0,0|2,0,0]=4 915 B7R1.7 COCNC1CC1 2800df33eaeca479e7ad5159beea729f [0,1,0,1,0,0|2,0,0]=4 916 B7R1.7 COCOC1CC1 026a9c25eccde58eb88281f1e9079e4e [0,1,0,1,0,0|2,0,0]=4 917 B7R1.7 FCCNC1CC1 27bdd0e03327b3d3ab47daae837284af [0,1,0,1,0,0|2,0,0]=4 918 B7R1.7 FCCOC1CC1 d382ce3d6b1520a06dd26d6fc11c28ce [0,1,0,1,0,0|2,0,0]=4 919 B7R1.7 FCNCC1CC1 1cae99c489890b890b87d2c58a6eb8c9 [0,1,0,1,0,0|2,0,0]=4 920 B7R1.7 FCOCC1CC1 ca8fac99f1600978aadc627ea28dfc26 [0,1,0,1,0,0|2,0,0]=4 921 B7R1.7 ICCNC1CC1 54cb85ddbccb623caf83beca2f313e76 [0,1,0,1,0,0|2,0,0]=4 922 B7R1.7 OCCNC1CC1 705f78fe268d00319295f25130b39077 [0,1,0,1,0,0|1,0,0]=3 923 B7R1.7 OCNCC1CC1 9cf22817bea92a2e517d0f5b781259f3 [0,1,0,1,0,0|1,0,0]=3 924 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [0,1,0,1,0,0|1,1,0]=4 925 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [0,1,0,1,0,0|1,1,0]=4