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49e9b130a26815265491d4c3a424ec61 [0,2,0,0,0,0|1,0,1]=4 14 B6R0.1 C#CCN(C)CO 233801036d1556dadc2fa829e2eef3b2 [0,2,0,0,0,0|2,0,0]=4 15 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [0,2,0,0,0,0|2,0,0]=4 16 B6R0.1 C#C[C@@H](C)NCF d903cf47df658ea1d98269383cb3d315 [0,2,0,0,0,0|2,0,0]=4 17 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [0,2,0,0,0,0|1,0,0]=3 18 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,2,0,0,0,0|1,0,1]=4 19 B6R0.1 C#C[C@@H](C)OCF 84c9a69113565387c92718924a808d76 [0,2,0,0,0,0|1,0,1]=4 20 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,2,0,0,0,0|2,0,0]=4 21 B6R0.1 C#C[C@H](C)NCF f03102ed4263cb5dbc188dbc384a5e8f [0,2,0,0,0,0|2,0,0]=4 22 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,2,0,0,0,0|1,0,0]=3 23 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,2,0,0,0,0|1,0,1]=4 24 B6R0.1 C#C[C@H](C)OCF 8667845c9da8dd8e24b1d3a8f6a93aa8 [0,2,0,0,0,0|1,0,1]=4 25 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,2,0,0,0,0|2,0,0]=4 26 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,2,0,0,0,0|2,0,0]=4 27 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,2,0,0,0,0|1,0,0]=3 28 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,2,0,0,0,0|1,0,1]=4 29 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,2,0,0,0,0|1,0,1]=4 30 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,2,0,0,0,0|2,0,0]=4 31 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,2,0,0,0,0|1,0,1]=4 32 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,2,0,0,0,0|1,0,1]=4 33 B6R0.1 CC(C#N)NCF b8014a86217c2b8a6f13da005da0a028 [0,2,0,0,0,0|2,0,0]=4 34 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,2,0,0,0,0|1,0,0]=3 35 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,2,0,0,0,0|0,0,2]=4 36 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,2,0,0,0,0|1,0,0]=3 37 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [0,2,0,0,0,0|1,0,0]=3 38 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,2,0,0,0,0|0,0,1]=3 39 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,2,0,0,0,0|1,0,0]=3 40 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,2,0,0,0,0|0,0,0]=2 41 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,2,0,0,0,0|0,1,0]=3 42 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,2,0,0,0,0|2,0,0]=4 43 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,2,0,0,0,0|1,0,1]=4 44 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,2,0,0,0,0|2,0,0]=4 45 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,2,0,0,0,0|1,0,0]=3 46 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,2,0,0,0,0|1,0,0]=3 47 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,2,0,0,0,0|2,0,0]=4 48 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,2,0,0,0,0|2,0,0]=4 49 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,2,0,0,0,0|2,0,0]=4 50 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,2,0,0,0,0|2,0,0]=4 51 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,2,0,0,0,0|2,0,0]=4 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[0,2,0,0,0,0|1,0,1]=4 65 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,2,0,0,0,0|2,0,0]=4 66 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,2,0,0,0,0|1,0,1]=4 69 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,2,0,0,0,0|2,0,0]=4 70 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,2,0,0,0,0|1,0,0]=3 72 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,2,0,0,0,0|1,0,1]=4 73 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.1 CN(CO)CC#N 980602725576f2e824d0e865b4b20c78 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,2,0,0,0,0|1,0,0]=3 77 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,2,0,0,0,0|0,0,1]=3 79 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [0,2,0,0,0,0|1,0,0]=3 82 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,2,0,0,0,0|0,0,1]=3 83 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,2,0,0,0,0|1,0,0]=3 84 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,2,0,0,0,0|0,0,0]=2 85 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,2,0,0,0,0|0,1,0]=3 86 B6R0.2 CC(C)OC(C)C ca12c9680239690a47d96d71519e9e05 [0,2,0,0,0,0|2,0,0]=4 87 B6R0.3 CC(C)N(C)CF d3c40e8bfc08dfa1b44a8a87aef31e93 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,2,0,0,0,0|2,0,0]=4 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CC(C)COCF b089fa536e65fca20df885ea5dacd9f2 [0,2,0,0,0,0|1,0,0]=3 104 B6R0.4 CC(C)NCC#N 8d9c5f2bbdfd2e60c34ddc5972663be0 [0,2,0,0,0,0|2,0,0]=4 105 B6R0.4 CC(C)NCCBr a3900e505497b08f4c9baca17b4fa185 [0,2,0,0,0,0|2,0,0]=4 106 B6R0.4 CC(C)NCCF 3152aefd56bd5a8bc9f6ac7f33a6fcdb [0,2,0,0,0,0|2,0,0]=4 107 B6R0.4 CC(C)NCCI 61300b723cb63b92262a59e1c054336d [0,2,0,0,0,0|2,0,0]=4 108 B6R0.4 CC(C)NCCO 3b0ca7166ca7093e2a2ed1b091b6c5af [0,2,0,0,0,0|1,0,0]=3 109 B6R0.4 CC(C)NCCS cdea7056049e21082f31ef0c239da6f7 [0,2,0,0,0,0|1,1,0]=4 110 B6R0.4 CC(C)OCC#N 1be7e1885bd3670d21ecc2d4422857b0 [0,2,0,0,0,0|2,0,0]=4 111 B6R0.4 CC(C)OCC=O 656e3e823b109ec9cd57494110924cc8 [0,2,0,0,0,0|1,0,1]=4 112 B6R0.4 CC(C)OCCF 102209588400e8045c1b7317560b3baf [0,2,0,0,0,0|2,0,0]=4 113 B6R0.4 CC(C)OCCS 9f8fcde0a26cdc1f53f7ed80bebd9fd6 [0,2,0,0,0,0|1,1,0]=4 114 B6R0.4 CC(F)COCF 184378aa5cda319f35eff5a374bd7b36 [0,2,0,0,0,0|1,0,0]=3 115 B6R0.4 CC(O)CNC#N f1c6c355e50ceab4bc37c7398481619a [0,2,0,0,0,0|1,0,0]=3 116 B6R0.4 CC(O)CNC=O 8669f80d50d055de0db4e7936b8a26b4 [0,2,0,0,0,0|0,0,1]=3 117 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [0,2,0,0,0,0|1,0,0]=3 118 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [0,2,0,0,0,0|0,0,0]=2 119 B6R0.4 CC(S)COCF f0912ffde29b0e269706eb1406d36aad [0,2,0,0,0,0|0,1,0]=3 120 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [0,2,0,0,0,0|2,0,0]=4 121 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [0,2,0,0,0,0|2,0,0]=4 122 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [0,2,0,0,0,0|2,0,0]=4 123 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [0,2,0,0,0,0|1,0,0]=3 124 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [0,2,0,0,0,0|1,0,0]=3 125 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [0,2,0,0,0,0|1,0,0]=3 126 B6R0.4 CCOCC(=O)C 810b545b1a0c4af358d406c93928b4de [0,2,0,0,0,0|0,0,2]=4 127 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [0,2,0,0,0,0|1,0,1]=4 128 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [0,2,0,0,0,0|1,0,0]=3 129 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [0,2,0,0,0,0|1,0,0]=3 130 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [0,2,0,0,0,0|0,1,0]=3 131 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [0,2,0,0,0,0|2,0,0]=4 132 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [0,2,0,0,0,0|2,0,0]=4 133 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [0,2,0,0,0,0|1,0,0]=3 134 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [0,2,0,0,0,0|1,0,0]=3 135 B6R0.4 COCOC(C)C 2db698e0a27d38f57903461e5b8bf21f [0,2,0,0,0,0|1,0,0]=3 136 B6R0.4 CSCOC(C)C df2443d5e1bdbc2f3ac237524c1a32f1 [0,2,0,0,0,0|1,1,0]=4 137 B6R0.4 C[C@@H](F)COCF 2fceb23c1851fd728d248a746424d5d7 [0,2,0,0,0,0|1,0,0]=3 138 B6R0.4 C[C@@H](O)CNC#N e3345931a28baeaadc1130dfdade6003 [0,2,0,0,0,0|1,0,0]=3 139 B6R0.4 C[C@@H](O)CNC=O 893e330470131b7f4e3b63b1afe5eaa3 [0,2,0,0,0,0|0,0,1]=3 140 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [0,2,0,0,0,0|1,0,0]=3 141 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [0,2,0,0,0,0|0,0,0]=2 142 B6R0.4 C[C@H](F)COCF e3a81502e05212c96edfcd9edba6a43c [0,2,0,0,0,0|1,0,0]=3 143 B6R0.4 C[C@H](O)CNC#N 269e98544ebb3ff67d9e1081dfeb62f0 [0,2,0,0,0,0|1,0,0]=3 144 B6R0.4 C[C@H](O)CNC=O 3f425a15e29afb471d950c9316d4c9b2 [0,2,0,0,0,0|0,0,1]=3 145 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [0,2,0,0,0,0|1,0,0]=3 146 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [0,2,0,0,0,0|0,0,0]=2 147 B6R0.4 FCOCC(F)F 93da8152d196f70d388a7f1ac91073db [0,2,0,0,0,0|2,0,0]=4 148 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [0,2,0,0,0,0|1,0,1]=4 149 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [0,2,0,0,0,0|1,0,1]=4 150 B6R0.4 O=S(O)COCF bc49b5a9355facf362625f551c5693d0 [0,2,0,0,0,0|2,0,0]=4 151 B6R0.4 OCNCC(F)F 3ed4ca35ec506c3014c6127dbef8f462 [0,2,0,0,0,0|2,0,0]=4 152 B6R0.5 CC(C)(C)NCF 3cacbed1609b720894d3f72aa5b5474f [0,2,0,0,0,0|2,0,0]=4 153 B6R0.5 CC(C)(C)NCO 98c610d421d69102d9fd33b99f13912a [0,2,0,0,0,0|1,0,0]=3 154 B6R0.5 CCNC(C)(C)C 075494290386c2ca265fcbc967febc26 [0,2,0,0,0,0|2,0,0]=4 155 B6R1.3 CCNC1CC1 ac3981af76d7269974e900b3cfc5de71 [0,1,0,1,0,0|2,0,0]=4 156 B6R1.3 CCOC1CC1 2c69a519fd7808244f9f88e8c40da7c1 [0,1,0,1,0,0|2,0,0]=4 157 B6R1.3 FCNC1CC1 1715feed97cb051cb760323cf608febe [0,1,0,1,0,0|2,0,0]=4 158 B6R1.3 FCOC1CC1 c80b7a723f6ace17df2859b2130f1eb6 [0,1,0,1,0,0|2,0,0]=4 159 B6R1.3 OCNC1CC1 101960c0f522708da07270474b234f44 [0,1,0,1,0,0|1,0,0]=3 160 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,1,0,1,0,0|2,0,0]=4