0 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [0,0,0,0,0,0|1,1,1]=3 1 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.3 CCN(C)CF f1609b6f0307b235e83ada8bb1f6ec70 [0,0,0,0,0,0|2,0,0]=2 3 B5R0.3 CCN(C)CO 992ae963459eb3513b2ca42228fd2ef7 [0,0,0,0,0,0|1,1,0]=2 4 B4R0.2 CCNC#N d0f03dd102d2d8b7abe705087df6ba79 [1,0,0,0,0,0|2,0,1]=4 5 B6R0.1 C#CC(C)NCC 85cc62c068fe8347941753880600425b [0,1,0,0,0,0|1,0,1]=3 6 B6R0.1 C#CC(C)NCF 6ba7119c2a73fb33c76518a7a998c2e5 [0,1,0,0,0,0|1,0,2]=4 7 B6R0.1 C#CC(C)NCO 3c70e727e0061dbce9cbda47181daecb [0,1,0,0,0,0|0,1,2]=4 8 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [0,1,0,0,0,0|1,0,1]=3 9 B6R0.1 C#CC(C)OCF 49e9b130a26815265491d4c3a424ec61 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.1 C#CCN(C)CC df628b2fb59d020a233c7468342e16c7 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.1 C#CCN(C)CF 3a7cf607d698f0f7870d7aacc2f960c3 [0,1,0,0,0,0|2,0,1]=4 12 B6R0.1 C#CCN(C)CO 233801036d1556dadc2fa829e2eef3b2 [0,1,0,0,0,0|1,1,1]=4 13 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.1 C#C[C@@H](C)NCF d903cf47df658ea1d98269383cb3d315 [0,1,0,0,0,0|1,0,2]=4 15 B6R0.1 C#C[C@@H](C)NCO 126db25e0e4cf6691fb1b82389d3a95e [0,1,0,0,0,0|0,1,2]=4 16 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,1,0,0,0,0|1,0,1]=3 17 B6R0.1 C#C[C@@H](C)OCF 84c9a69113565387c92718924a808d76 [0,1,0,0,0,0|1,0,2]=4 18 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,1,0,0,0,0|1,0,1]=3 19 B6R0.1 C#C[C@H](C)NCF f03102ed4263cb5dbc188dbc384a5e8f [0,1,0,0,0,0|1,0,2]=4 20 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,1,0,0,0,0|0,1,2]=4 21 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,1,0,0,0,0|1,0,1]=3 22 B6R0.1 C#C[C@H](C)OCF 8667845c9da8dd8e24b1d3a8f6a93aa8 [0,1,0,0,0,0|1,0,2]=4 23 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|1,0,1]=3 24 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,1,0,0,0,0|1,0,2]=4 25 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|0,1,2]=4 26 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|1,0,1]=3 27 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.1 C=CCN(C)CC 66590de6b708bb2b2b2945a656dd0b8f [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 C=CCN(C)CF 7e02e3a96da7141f47b832fca75c32a8 [0,1,0,0,0,0|2,0,1]=4 30 B6R0.1 C=CCN(C)CO e638b434bf874996eb81f2689695f38f [0,1,0,0,0,0|1,1,1]=4 31 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|1,0,1]=3 32 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,1,0,0,0,0|1,0,2]=4 33 B6R0.1 CC(C#N)NCF b8014a86217c2b8a6f13da005da0a028 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,1,0,0,0,0|1,1,1]=4 35 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|1,1,1]=4 36 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.1 CC(CO)NC#N b6bfa3976d2a6a9619606ed55bd1d96b [0,1,0,0,0,0|1,1,1]=4 38 B6R0.1 CC(CO)NC=O 6cb3b07738b3559c75de386eaa588767 [0,1,0,0,0,0|1,1,1]=4 39 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,1,0,0,0,0|1,1,0]=3 40 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,1,0,0,0,0|1,1,0]=3 41 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,1,0,0,0,0|1,0,0]=2 42 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,1,0,0,0,0|1,0,1]=3 43 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,1,0,0,0,0|0,1,1]=3 44 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,1,0,0,0,0|1,0,0]=2 45 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|0,1,0]=2 46 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|1,0,0]=2 47 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,1,0,0,0,0|1,1,1]=4 48 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,1,0,0,0,0|1,1,0]=3 51 B6R0.1 CCN(C)CC#N 2853a7af5707f71aff1eef2c0f44a019 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CCN(C)CC=O 027065f0dd139518bb2cdfff7d6533ae [0,1,0,0,0,0|1,1,0]=3 53 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,1,0,0,0,0|1,1,0]=3 55 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,1,0,0,0,0|1,0,0]=2 56 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,1,0,0,0,0|1,1,0]=3 57 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,1,0,0,0,0|1,0,0]=2 58 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,1,0,0,0,0|1,0,1]=3 59 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|1,0,0]=2 60 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,1,0,0,0,0|0,1,0]=2 61 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|1,0,0]=2 62 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,1,0,0,0,0|0,1,0]=2 63 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|1,0,0]=2 64 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,1,0,0,0,0|0,1,0]=2 65 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|0,1,1]=3 66 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|1,0,0]=2 67 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|1,0,0]=2 68 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|0,0,0]=1 69 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|1,0,0]=2 70 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|0,0,0]=1 72 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,1,0,0,0,0|0,1,1]=3 73 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,1,0,0,0,0|1,0,0]=2 74 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|0,1,0]=2 75 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|1,0,0]=2 76 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,1,0,0,0,0|0,1,1]=3 77 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,1,0,0,0,0|1,0,0]=2 78 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|0,1,0]=2 79 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|1,0,0]=2 80 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,1,0,0,0,0|1,1,1]=4 81 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,1,0,0,0,0|1,1,1]=4 82 B6R0.1 CN(CF)CC#N cc126d10fa2e2bd83c0f8f82e172e17f [0,1,0,0,0,0|2,0,1]=4 83 B6R0.1 CN(CF)CCF 3637d23f051ca2593a5a5b98ee47a1b5 [0,1,0,0,0,0|2,0,0]=3 84 B6R0.1 CN(CF)CCO 45c87519ddef71b395da19084a38f5b6 [0,1,0,0,0,0|2,0,0]=3 85 B6R0.1 CN(CO)CC#N 980602725576f2e824d0e865b4b20c78 [0,1,0,0,0,0|1,1,1]=4 86 B6R0.1 CN(CO)CCF e5dd1ecfdd1f28e155abf2012a360c21 [0,1,0,0,0,0|1,1,0]=3 87 B6R0.1 CN(CO)CCO 54f662b94257417f82a22aa2c84d65c3 [0,1,0,0,0,0|1,1,0]=3 88 B6R0.1 C[C@@H](CO)NC#N 139f5cc18c10fce938a3acd4b6e91304 [0,1,0,0,0,0|1,1,1]=4 89 B6R0.1 C[C@@H](CO)NC=O ec3f1323844b2b166f286f44082a1734 [0,1,0,0,0,0|1,1,1]=4 90 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,1,0,0,0,0|1,1,0]=3 91 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,1,0,0,0,0|1,1,0]=3 92 B6R0.1 C[C@H](CO)NC#N 169e9f99802281ff5010262eba8da425 [0,1,0,0,0,0|1,1,1]=4 93 B6R0.1 C[C@H](CO)NC=O 3cbedcbe22de2e07327f619fdeffeaec [0,1,0,0,0,0|1,1,1]=4 94 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,1,0,0,0,0|1,1,0]=3 95 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,1,0,0,0,0|1,1,0]=3 96 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,1,0,0,0,0|1,0,0]=2 97 B6R0.3 CC(C)N(C)C=O ed819c6af0078a1de69f07f4fd8d9ee5 [0,1,0,0,0,0|1,1,1]=4 98 B6R0.3 CC(C)N(C)CF d3c40e8bfc08dfa1b44a8a87aef31e93 [0,1,0,0,0,0|2,0,0]=3 99 B6R0.3 CC(C)N(C)CO 68aaa92996932618c2ea955d854bb5c7 [0,1,0,0,0,0|1,1,0]=3 100 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,0,0,0,0|1,1,1]=4 101 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,1,0,0,0,0|2,0,0]=3 102 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [0,0,0,1,0,0|2,0,0]=3 103 B6R1.6 FCN1CCC1 be36fe433e3b5fde99e14f4c177c697e [0,0,0,1,0,0|2,0,0]=3 104 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [0,0,0,1,0,0|1,1,1]=4 105 B6R1.6 OCN1CCC1 f3cac714768fc30717bf6da5686dc581 [0,0,0,1,0,0|1,1,0]=3 106 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [1,1,0,0,0,0|1,0,1]=4 107 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,1,0,0,0,0|0,0,0]=2 109 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,1,0,0,0,0|1,0,1]=4 110 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,1,0,0,0,0|1,0,1]=4 111 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,1,0,0,0,0|1,0,1]=4 112 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,1,0,0,0,0|0,1,1]=4 113 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,1,0,0,0,0|1,0,0]=3 114 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,1,0,0,0,0|1,0,0]=3 115 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|0,1,0]=3 116 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,1,0,0,0,0|1,0,0]=3 117 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,1,0,0,0,0|1,0,0]=3 118 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,1,0,0,0,0|1,0,0]=3 120 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,1,0,0,0,0|1,0,0]=3 121 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,1,0,0,0,0|1,0,0]=3 122 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,1,0,0,0,0|0,1,0]=3 123 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,1,0,0,0,0|0,0,0]=2 124 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,1,0,0,0,0|1,0,1]=4 125 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,1,0,0,0,0|1,0,0]=3 126 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|0,0,0]=2 127 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,1,0,0,0,0|1,1,0]=4 128 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,1,0,0,0,0|2,0,0]=4 129 B5R0.2 FCCNCF 3f146e38f81fa4f5bf67d0f4217d666d [1,1,0,0,0,0|2,0,0]=4 130 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.2 FCNCCBr ebb4ae71bfedb68f39fc2b9156885a92 [1,1,0,0,0,0|2,0,0]=4 132 B5R0.2 FCNCCI 6147f2646233ff1a06aa8fb273c4329d [1,1,0,0,0,0|2,0,0]=4 133 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.2 N#CNCCS acd2c3aea28fc33dac0673fcfba0648d [1,1,0,0,0,0|1,0,1]=4 136 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,1,0,0,0,0|1,0,1]=4 137 B5R0.2 OCCNCF 7003ba7efdea8413ef4364037c1001a7 [1,1,0,0,0,0|1,1,0]=4 138 B5R0.2 OCCNCO 7bb8121d6904fe92ecf2faab37be4b2d [1,1,0,0,0,0|1,1,0]=4 139 B5R0.2 OCNCCBr ee34e5972b0522a370fb51b29c6bc7a6 [1,1,0,0,0,0|1,1,0]=4 140 B5R0.2 OCNCCF 01aec1945c7d4caf55669189450aba19 [1,1,0,0,0,0|1,1,0]=4 141 B5R0.2 OCNCCI d2779603e8c1e9f18b9fbe00ccefa227 [1,1,0,0,0,0|1,1,0]=4 142 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [1,1,0,0,0,0|1,0,0]=3 143 B7R0.2 C#CC(C)NC(C)C 1adfd08d21a60fe3922bad2a8cac6fc5 [0,2,0,0,0,0|1,0,1]=4 144 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.2 C#C[C@@H](C)NC(C)C 4fb0ba4a4d14b34bf0f7402f8af0e7a0 [0,2,0,0,0,0|1,0,1]=4 146 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [0,2,0,0,0,0|1,0,1]=4 147 B7R0.2 C#C[C@H](C)NC(C)C 9a0729fd31b9e7a065041f3f67ecd743 [0,2,0,0,0,0|1,0,1]=4 148 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.2 C=C(Br)CN(C)CC a95e900b3ccec6668bc411630f5decf3 [0,2,0,0,0,0|2,0,0]=4 150 B7R0.2 C=C(C)CN(C)CC f46aa4737385fde5ecca127cfe0fb11b [0,2,0,0,0,0|2,0,0]=4 151 B7R0.2 C=C(Cl)CN(C)CC 85a42652568d865a3db0ed61404dde1c [0,2,0,0,0,0|2,0,0]=4 152 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,2,0,0,0,0|1,0,1]=4 155 B7R0.2 CC(=O)NC(C)CO 5b33fe0ccef9f04a2ffcb97aafaea882 [0,2,0,0,0,0|0,1,1]=4 156 B7R0.2 CC(=O)N[C@@H](C)CO 6858caa5d94a6988c3c1bcaa83d0b2b8 [0,2,0,0,0,0|0,1,1]=4 157 B7R0.2 CC(=O)N[C@H](C)CO 0b20f01b94b45fad0762ce944038f07e [0,2,0,0,0,0|0,1,1]=4 158 B7R0.2 CC(C)CN(C)CF f2a6b79f5877628929a1b31fd183a5d0 [0,2,0,0,0,0|2,0,0]=4 159 B7R0.2 CC(C)CN(C)CO 0b6bf7cc82aa91188fc000497729e3d4 [0,2,0,0,0,0|1,1,0]=4 160 B7R0.2 CC(C)NC(C)C#N 67530a843e87041c95d3c81be4de1aa8 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.2 CC(C)NC(C)CO 7d97b958c7e2d8819c7c1f63bb18ce94 [0,2,0,0,0,0|0,1,0]=3 162 B7R0.2 CC(C)N[C@@H](C)CO cb1d68f0941324aa0f3206f5b48bd94c [0,2,0,0,0,0|0,1,0]=3 163 B7R0.2 CC(C)N[C@H](C)CO f1b0a39369263dcbc11a080cbeb93c35 [0,2,0,0,0,0|0,1,0]=3 164 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,2,0,0,0,0|0,1,1]=4 166 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,2,0,0,0,0|1,0,0]=3 167 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,2,0,0,0,0|0,0,0]=2 168 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,2,0,0,0,0|0,1,1]=4 169 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,2,0,0,0,0|0,0,0]=2 170 B7R0.2 CC(O)CN(C)CF c09526189cafd23891f682c66649d125 [0,2,0,0,0,0|2,0,0]=4 171 B7R0.2 CC(O)CN(C)CO 3b7f6558a4b553a3af9a1035d866a39e [0,2,0,0,0,0|1,1,0]=4 172 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,2,0,0,0,0|0,1,1]=4 173 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,2,0,0,0,0|1,0,0]=3 175 B7R0.2 CCN(C)CC(=O)N 58c4f2962e11e395e9dd8c9fccee33dd [0,2,0,0,0,0|1,1,0]=4 176 B7R0.2 CCN(C)CC(=O)O ed00a192e609f5d5786e1c989c44eb8f [0,2,0,0,0,0|1,1,0]=4 177 B7R0.2 CCN(C)CC(C)C b1801f5d5c3a2fe65e0c5338da1b288f [0,2,0,0,0,0|2,0,0]=4 178 B7R0.2 CCN(C)CC(C)O 22c796f149474196e01f5a861b83c652 [0,2,0,0,0,0|1,1,0]=4 179 B7R0.2 CCN(C)CC(F)F ffb0011f568ae55bb7bb9747777b52af [0,2,0,0,0,0|2,0,0]=4 180 B7R0.2 CCN(C)CN(C)C f99659c98f126cf47210322e6b249111 [0,2,0,0,0,0|2,0,0]=4 181 B7R0.2 CCN(C)C[C@@H](C)O e1fc7c21afedf382169569842ae9d9da [0,2,0,0,0,0|1,1,0]=4 182 B7R0.2 CCN(C)C[C@H](C)O 2fe5de7e3e442679b65eac3f37bae166 [0,2,0,0,0,0|1,1,0]=4 183 B7R0.2 CCN(C)C[N+](=O)[O-] 1747c815c0bddd9b3eea2e8a91b60fbe [0,2,0,0,0,0|1,1,0]=4 184 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,2,0,0,0,0|0,1,1]=4 185 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,2,0,0,0,0|1,0,0]=3 187 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,2,0,0,0,0|0,1,1]=4 188 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,2,0,0,0,0|1,0,0]=3 189 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,2,0,0,0,0|1,0,0]=3 190 B7R0.2 CN(CF)CC(F)F 3ce67ecd067dc3b5c0409e5a64b0bbbe [0,2,0,0,0,0|2,0,0]=4 191 B7R0.2 CN(CO)CC(F)F c19961e26bc0fd66197092950a862b42 [0,2,0,0,0,0|1,1,0]=4 192 B7R0.2 C[C@H](O)CN(C)CF 5a09021deee6ed4ea8f52ce12dc22c90 [0,2,0,0,0,0|2,0,0]=4 193 B7R0.2 C[C@H](O)CN(C)CO c3ae4b5b307547a59cb2b787e087330e [0,2,0,0,0,0|1,1,0]=4 194 B7R0.3 C#CC(C)NCCBr 9f42b4006e47fe369c2f3107df33b480 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.3 C#CC(C)NCCC 0f597b1bca0c5618e6a85d1db7ea6731 [0,2,0,0,0,0|1,0,1]=4 196 B7R0.3 C#CC(C)NCCF fd51cf145bf51fb8f190e2a94657f5ec [0,2,0,0,0,0|1,0,1]=4 197 B7R0.3 C#CC(C)NCCI af50158c9b957a00bc39c9afdd4565fc [0,2,0,0,0,0|1,0,1]=4 198 B7R0.3 C#CC(C)NCCO bbba0c1d2ecd1db2e38885169cb41ae5 [0,2,0,0,0,0|1,0,1]=4 199 B7R0.3 C#CC(C)NCCS b58af2565a34ae4c8683d861488fa2fd [0,2,0,0,0,0|0,0,2]=4 200 B7R0.3 C#CC(C)NCOC 1d5be434cad6021f3ae75f538f01d843 [0,2,0,0,0,0|1,0,1]=4 201 B7R0.3 C#CC(C)NCSC 434c4c9786a3911e5c250e046533c62b [0,2,0,0,0,0|0,0,2]=4 202 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,2,0,0,0,0|1,0,1]=4 203 B7R0.3 C#CC(C)OCCF 7774b00cacd5f01f93b97c582c22aebc [0,2,0,0,0,0|1,0,1]=4 204 B7R0.3 C#CC(C)OCCS 677d2cf41c5776b9322f569b2e20ad78 [0,2,0,0,0,0|0,0,2]=4 205 B7R0.3 C#CC(C)OCOC f493f96c2be9b9205978c019e3195ea7 [0,2,0,0,0,0|1,0,1]=4 206 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,2,0,0,0,0|0,0,2]=4 207 B7R0.3 C#CCCN(C)CC 01ca83eb61fbc9c94adbced8a51db44e [0,2,0,0,0,0|2,0,0]=4 208 B7R0.3 C#CCCN(C)CF 8781b25d330c2c44a7bf5d53e0d878d0 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.3 C#CCCN(C)CO 3456b7202c86ce20c9db5825f2600d97 [0,2,0,0,0,0|1,1,0]=4 210 B7R0.3 C#CCNC(C)CC 1c8cf786a7bf62a91e9eb3f09e0e4cb9 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.3 C#CCNC(C)CO e217aadc6ae2184f287cc75033468347 [0,2,0,0,0,0|0,1,1]=4 212 B7R0.3 C#CCN[C@@H](C)CC 48b5b4e4c3419c4d390c7be2cfb833e7 [0,2,0,0,0,0|1,0,0]=3 213 B7R0.3 C#CCN[C@@H](C)CO be23745c4a1394ef26cd9ad9ba61e848 [0,2,0,0,0,0|0,1,1]=4 214 B7R0.3 C#CCN[C@H](C)CC 301aa888349cf4ee28848f6c9d611572 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.3 C#CCN[C@H](C)CO d868e6c27f5fba5003a802e374564049 [0,2,0,0,0,0|0,1,1]=4 216 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [0,2,0,0,0,0|1,0,0]=3 217 B7R0.3 C#CCOC(C)CF 221cd713b73297c7e5f97bde204915de [0,2,0,0,0,0|1,0,1]=4 218 B7R0.3 C#CCOC(C)CS 7e7645935526fd9fe5b548e99a949915 [0,2,0,0,0,0|0,0,1]=3 219 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [0,2,0,0,0,0|1,0,0]=3 220 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [0,2,0,0,0,0|1,0,0]=3 221 B7R0.3 C#CCO[C@H](C)CS ab6f4be9fefb8635e941439c0052c852 [0,2,0,0,0,0|0,0,1]=3 222 B7R0.3 C#C[C@@H](C)NCCC 27ba225c67029d8236c87fc6721fad3a [0,2,0,0,0,0|1,0,1]=4 223 B7R0.3 C#C[C@@H](C)NCCF e0c1990c39ed030f0d8b393a1e64d078 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.3 C#C[C@@H](C)NCCO e9414cfb46cc033f4806e66f84d2f19c [0,2,0,0,0,0|1,0,1]=4 225 B7R0.3 C#C[C@@H](C)NCCS da71f9d45152d302b76aca07f2f11d0d [0,2,0,0,0,0|0,0,2]=4 226 B7R0.3 C#C[C@@H](C)NCOC 2ba0e1451bb24cea5ca970d61b987735 [0,2,0,0,0,0|1,0,1]=4 227 B7R0.3 C#C[C@@H](C)NCSC 8f6e840d3701f2c63b7704ceead9241a [0,2,0,0,0,0|0,0,2]=4 228 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [0,2,0,0,0,0|1,0,1]=4 229 B7R0.3 C#C[C@@H](C)OCCF 3310abc989f1679a61ca80b2a539306c [0,2,0,0,0,0|1,0,1]=4 230 B7R0.3 C#C[C@@H](C)OCCS 4e04a11dc65e84e3c6145d59508cdb0d [0,2,0,0,0,0|0,0,2]=4 231 B7R0.3 C#C[C@@H](C)OCOC b5f2510f611fba5c0b90597284089504 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.3 C#C[C@@H](C)OCSC 060fcb199844a627b435f5fafc8ceb52 [0,2,0,0,0,0|0,0,2]=4 233 B7R0.3 C#C[C@H](C)NCCC 870e3ac73d57aa9963af4d33ccaf86fd [0,2,0,0,0,0|1,0,1]=4 234 B7R0.3 C#C[C@H](C)NCCF 91841d87b09af0e4d1ea5c7e42ff8931 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.3 C#C[C@H](C)NCCO 1a07e9f5216c88dd837e816c5c857fca [0,2,0,0,0,0|1,0,1]=4 236 B7R0.3 C#C[C@H](C)NCCS ad5eb5d5c390d7b62d5a78c32a63c091 [0,2,0,0,0,0|0,0,2]=4 237 B7R0.3 C#C[C@H](C)NCOC 08b281a3f645396c68d81ab72641dee6 [0,2,0,0,0,0|1,0,1]=4 238 B7R0.3 C#C[C@H](C)NCSC 30c5342dedc1c53040a94f0706e543bc [0,2,0,0,0,0|0,0,2]=4 239 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.3 C#C[C@H](C)OCCF 16f3c962063cbc9a1612a19a77fc207b [0,2,0,0,0,0|1,0,1]=4 241 B7R0.3 C#C[C@H](C)OCCS 42ab997997a9001ee9da9446c6900cb0 [0,2,0,0,0,0|0,0,2]=4 242 B7R0.3 C#C[C@H](C)OCOC 7a874ba6eb8c315241b513f50f519c90 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.3 C#C[C@H](C)OCSC f64fdd53dcb15fef3872aae26753e4e1 [0,2,0,0,0,0|0,0,2]=4 244 B7R0.3 C/C=C/CN(C)CC a833def0c5a9483904429a6d4fa647bf [0,2,0,0,0,0|2,0,0]=4 245 B7R0.3 C/C=C\CN(C)CC 0d52835f1d4ec546901139cc9ef0efe3 [0,2,0,0,0,0|2,0,0]=4 246 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,2,0,0,0,0|1,0,1]=4 247 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,2,0,0,0,0|1,0,1]=4 248 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,2,0,0,0,0|1,0,1]=4 249 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,2,0,0,0,0|1,0,1]=4 250 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,2,0,0,0,0|1,0,1]=4 251 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,2,0,0,0,0|1,0,1]=4 252 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,2,0,0,0,0|1,0,1]=4 253 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,2,0,0,0,0|0,0,2]=4 254 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,2,0,0,0,0|1,0,1]=4 255 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,2,0,0,0,0|0,0,2]=4 256 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,2,0,0,0,0|1,0,1]=4 258 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,2,0,0,0,0|0,0,2]=4 259 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,2,0,0,0,0|1,0,1]=4 260 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,2,0,0,0,0|0,0,2]=4 261 B7R0.3 C=CCCN(C)CC 224a5773b1b84beacfc8f44066799c60 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.3 C=CCCN(C)CF 5463399a5f95f1fae09b7b6e3e379754 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.3 C=CCCN(C)CO 579b9235661212985211ec5a8a4dba41 [0,2,0,0,0,0|1,1,0]=4 264 B7R0.3 C=CCNC(C)CC d45d48be61d418ef3d95cad9c5582bbe [0,2,0,0,0,0|1,0,0]=3 265 B7R0.3 C=CCNC(C)CO a948e20f9bd4754ec87302b6fdce81b3 [0,2,0,0,0,0|0,1,1]=4 266 B7R0.3 C=CCN[C@@H](C)CC c610fd310f1909b965f637191eeb2b15 [0,2,0,0,0,0|1,0,0]=3 267 B7R0.3 C=CCN[C@@H](C)CO e3ac2dff9fa8b94ad1bb6f4b16ad0799 [0,2,0,0,0,0|0,1,1]=4 268 B7R0.3 C=CCN[C@H](C)CC 0c789cf00460bd8cdb23c51009c4742c [0,2,0,0,0,0|1,0,0]=3 269 B7R0.3 C=CCN[C@H](C)CO 45438ab57072f0e042c82a4659374125 [0,2,0,0,0,0|0,1,1]=4 270 B7R0.3 C=CCOC(C)CC 787a9267d8fe014db706087d78f6c857 [0,2,0,0,0,0|1,0,0]=3 271 B7R0.3 C=CCOC(C)CF fb11bf0cefab4ea0e38b93cfcee01743 [0,2,0,0,0,0|1,0,1]=4 272 B7R0.3 C=CCOC(C)CS 0ddb9af989e9e9c33b24b66863a996b5 [0,2,0,0,0,0|0,0,1]=3 273 B7R0.3 C=CCO[C@@H](C)CC b304fc3faf864b09563f01310febaac7 [0,2,0,0,0,0|1,0,0]=3 274 B7R0.3 C=CCO[C@H](C)CC 15018d65de2076ec221d9660c184c296 [0,2,0,0,0,0|1,0,0]=3 275 B7R0.3 C=CCO[C@H](C)CS fd43ed19bf853317b3a063b2977abf8d [0,2,0,0,0,0|0,0,1]=3 276 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,2,0,0,0,0|1,0,1]=4 277 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,2,0,0,0,0|1,0,1]=4 278 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,2,0,0,0,0|0,0,2]=4 279 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,2,0,0,0,0|1,0,1]=4 280 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,2,0,0,0,0|0,0,2]=4 281 B7R0.3 CC(C#N)CNCF 02f8a851e28be19b2d3117630e8e3370 [0,2,0,0,0,0|1,0,1]=4 282 B7R0.3 CC(C#N)CNCO cdcd1d8e558d8fe031d84eda06590263 [0,2,0,0,0,0|1,0,1]=4 283 B7R0.3 CC(C#N)COCF 5bd96783c2c616ddb9bb1c10857135df [0,2,0,0,0,0|1,0,1]=4 284 B7R0.3 CC(C#N)NCCF 6450985545dd0e0dd5088eee8ecc2f46 [0,2,0,0,0,0|1,0,1]=4 285 B7R0.3 CC(C#N)NCCI 54ae9bb95a89c9caa452fd5f086326eb [0,2,0,0,0,0|1,0,1]=4 286 B7R0.3 CC(C#N)NCCO 55b7405319dad98407f3509b935a08d4 [0,2,0,0,0,0|1,0,1]=4 287 B7R0.3 CC(C#N)NCCS adfd8836ca4622423073fd00e5aa980d [0,2,0,0,0,0|1,0,1]=4 288 B7R0.3 CC(C#N)OCCS 54ef71d430fa96d7cb92c30410fb9da9 [0,2,0,0,0,0|1,0,1]=4 289 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,2,0,0,0,0|0,1,1]=4 290 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,2,0,0,0,0|0,1,1]=4 291 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,2,0,0,0,0|0,1,1]=4 292 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,2,0,0,0,0|0,1,1]=4 293 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,2,0,0,0,0|0,1,1]=4 294 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|0,1,1]=4 295 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|0,1,1]=4 296 B7R0.3 CC(CF)OCC#N 6cc0a505593a119a3106139b239e6163 [0,2,0,0,0,0|1,0,1]=4 297 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,2,0,0,0,0|1,0,1]=4 298 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [0,2,0,0,0,0|1,0,0]=3 299 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [0,2,0,0,0,0|1,0,0]=3 300 B7R0.3 CC(CO)CNC#N f081c9853066c36f1feb71f0d0ee5f22 [0,2,0,0,0,0|0,1,1]=4 301 B7R0.3 CC(CO)CNC=O 24fbd7aa61fab8c89f8d9333e1a09567 [0,2,0,0,0,0|0,1,1]=4 302 B7R0.3 CC(CO)CNCF 8062cd63b1d1a450c851a630bc24bbef [0,2,0,0,0,0|0,1,0]=3 303 B7R0.3 CC(CO)CNCO 21fb23aa708a9b1afe928be1d7d3777a [0,2,0,0,0,0|0,1,0]=3 304 B7R0.3 CC(CO)NCC#N c15c6c891d1b54cfdcadaff4df95022a [0,2,0,0,0,0|0,1,1]=4 305 B7R0.3 CC(CO)NCC=O abc80e1c9772f639d76c5de7d6ae2b6e [0,2,0,0,0,0|0,1,1]=4 306 B7R0.3 CC(CO)NCCBr 9d4fd176b9f7156afcd17616b9df73f4 [0,2,0,0,0,0|0,1,0]=3 307 B7R0.3 CC(CO)NCCF 3fb2f9d7a1fb44ff3a81b0f43c3cecd1 [0,2,0,0,0,0|0,1,0]=3 308 B7R0.3 CC(CO)NCCI 5c0bfbc53939f51e926c19c25f286c71 [0,2,0,0,0,0|0,1,0]=3 309 B7R0.3 CC(CO)NCCO 5cd093cef9425d970f2779cfd472d185 [0,2,0,0,0,0|0,1,0]=3 310 B7R0.3 CC(CO)NCCS 7e1b4b642ac91e5af00fd08799aa6e2e [0,2,0,0,0,0|0,1,0]=3 311 B7R0.3 CC(CS)OCC#N 676888cdcec921bfd46a956f5c3d5131 [0,2,0,0,0,0|0,0,1]=3 312 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,2,0,0,0,0|0,0,1]=3 313 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,2,0,0,0,0|0,0,0]=2 314 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,2,0,0,0,0|0,0,0]=2 315 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [0,2,0,0,0,0|1,0,1]=4 316 B7R0.3 CCC(C)CNC#N 2745cea8547630c0663889b1b93db18f [0,2,0,0,0,0|1,0,0]=3 317 B7R0.3 CCC(C)CNC=O ebd419a28eb79e00a55acb30bf712ff2 [0,2,0,0,0,0|0,1,0]=3 318 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,2,0,0,0,0|1,0,0]=3 319 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,2,0,0,0,0|0,1,0]=3 320 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,2,0,0,0,0|0,1,0]=3 321 B7R0.3 CCC(C)NCC#N 9dccc3b7b0f5034900215eb41b1410b6 [0,2,0,0,0,0|1,0,0]=3 322 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,2,0,0,0,0|0,1,0]=3 323 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,2,0,0,0,0|1,0,0]=3 324 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,2,0,0,0,0|1,0,0]=3 325 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,2,0,0,0,0|1,0,0]=3 326 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,2,0,0,0,0|0,1,0]=3 327 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,2,0,0,0,0|0,0,0]=2 328 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,2,0,0,0,0|0,1,0]=3 329 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,2,0,0,0,0|0,0,0]=2 330 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [0,2,0,0,0,0|1,0,0]=3 331 B7R0.3 CCC(C)OCC=O 3048fa7b9eb03a623d9ab002261defa2 [0,2,0,0,0,0|0,1,0]=3 332 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [0,2,0,0,0,0|1,0,0]=3 333 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [0,2,0,0,0,0|0,0,0]=2 334 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [0,2,0,0,0,0|0,1,0]=3 335 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [0,2,0,0,0,0|0,0,0]=2 336 B7R0.3 CCC(O)CNC#N 812e6acb20ff52259cbcafc7e21eafbc [0,2,0,0,0,0|2,0,0]=4 337 B7R0.3 CCC(O)CNC=O 3e7e1c1d57179570b5ce8a6f87ec4444 [0,2,0,0,0,0|1,1,0]=4 338 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,2,0,0,0,0|2,0,0]=4 339 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,2,0,0,0,0|1,1,0]=4 340 B7R0.3 CCCCN(C)CC 89876d3ca82726715f2f995cd8bda708 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.3 CCCCN(C)CF be372279d4be2902bb76b9de8a48abc5 [0,2,0,0,0,0|2,0,0]=4 342 B7R0.3 CCCCN(C)CO 3f062a8d7718607e7a9f891ee2c89bec [0,2,0,0,0,0|1,1,0]=4 343 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.3 CCCNC(C)C#N e68d5a808283376392b45cfe49aa2551 [0,2,0,0,0,0|1,0,1]=4 345 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,2,0,0,0,0|0,1,1]=4 346 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,2,0,0,0,0|0,1,0]=3 348 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,2,0,0,0,0|1,0,0]=3 349 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,2,0,0,0,0|0,1,0]=3 350 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,2,0,0,0,0|0,1,1]=4 351 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,2,0,0,0,0|1,0,0]=3 352 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,2,0,0,0,0|0,1,0]=3 353 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,2,0,0,0,0|0,1,1]=4 355 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,2,0,0,0,0|1,0,0]=3 356 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,2,0,0,0,0|1,0,0]=3 357 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,2,0,0,0,0|0,0,0]=2 358 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,2,0,0,0,0|1,0,0]=3 359 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,2,0,0,0,0|0,1,1]=4 360 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,2,0,0,0,0|1,0,0]=3 361 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,2,0,0,0,0|0,0,0]=2 362 B7R0.3 CCN(C)C/C=C/Cl 823585dad91397251f5e992cc63297db [0,2,0,0,0,0|2,0,0]=4 363 B7R0.3 CCN(C)C/C=C\Cl c5e2db65672dae81ab8ccdee907a4957 [0,2,0,0,0,0|2,0,0]=4 364 B7R0.3 CCN(C)C/C=C\O 60deab8000357700021216d9934790c2 [0,2,0,0,0,0|1,1,0]=4 365 B7R0.3 CCN(C)CCC#N 911157a043342786564f3eb320b58369 [0,2,0,0,0,0|2,0,0]=4 366 B7R0.3 CCN(C)CCC=O 7943cc4d9a1ab8d439ad27cf7b079146 [0,2,0,0,0,0|1,1,0]=4 367 B7R0.3 CCN(C)CCCF 58d987982e58376deaac7a021f590114 [0,2,0,0,0,0|2,0,0]=4 368 B7R0.3 CCN(C)CCCO b1a93de8904fff1ed54369ee01ff1bc7 [0,2,0,0,0,0|1,1,0]=4 369 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [0,2,0,0,0,0|1,0,0]=3 370 B7R0.3 CCN(C)CCOC 4abfef839ac1a01d5b0d90f7c9bd6930 [0,2,0,0,0,0|1,1,0]=4 371 B7R0.3 CCN(C)CCON dca6e8ee84d04b2409e73b61f0963e17 [0,2,0,0,0,0|1,1,0]=4 372 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.3 CCN(C)CSC#N b0b55ce00011d51251f4eb1912f76d61 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [0,2,0,0,0,0|2,0,0]=4 375 B7R0.3 CCNCC(C)C#N 1b59514d6c984e33a792bbce41493380 [0,2,0,0,0,0|1,0,1]=4 376 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,2,0,0,0,0|0,1,0]=3 378 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,2,0,0,0,0|1,1,0]=4 379 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,2,0,0,0,0|2,0,0]=4 380 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,2,0,0,0,0|1,1,0]=4 381 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,2,0,0,0,0|1,0,0]=3 382 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,2,0,0,0,0|1,1,0]=4 384 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,2,0,0,0,0|1,1,0]=4 385 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,2,0,0,0,0|0,1,0]=3 386 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,2,0,0,0,0|2,0,0]=4 387 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,2,0,0,0,0|1,1,0]=4 388 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,2,0,0,0,0|2,0,0]=4 389 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,2,0,0,0,0|1,1,0]=4 390 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [0,2,0,0,0,0|1,0,1]=4 392 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,2,0,0,0,0|0,1,0]=3 393 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,2,0,0,0,0|1,1,0]=4 394 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,2,0,0,0,0|1,0,0]=3 396 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [0,2,0,0,0,0|1,1,0]=4 397 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,2,0,0,0,0|0,1,0]=3 398 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,2,0,0,0,0|1,1,0]=4 399 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,2,0,0,0,0|0,1,0]=3 400 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,2,0,0,0,0|1,1,0]=4 401 B7R0.3 CC[C@@H](C)CNC#N c544182635f262c6345531d07f549545 [0,2,0,0,0,0|1,0,0]=3 402 B7R0.3 CC[C@@H](C)COCF 27ee9a97e87757a57bbd2473b47c8a0b [0,2,0,0,0,0|0,1,0]=3 403 B7R0.3 CC[C@@H](C)NCC#N 349bbcd477486d683d830b5721177924 [0,2,0,0,0,0|1,0,0]=3 404 B7R0.3 CC[C@@H](C)NCC=O 728ce0e6b12a20079c33ab77be7d6271 [0,2,0,0,0,0|0,1,0]=3 405 B7R0.3 CC[C@@H](C)NCCF 93d07692499e3b9aec2552214e2ff53f [0,2,0,0,0,0|1,0,0]=3 406 B7R0.3 CC[C@@H](C)NCCO 72cce7ce1a4c2aadd49ed6fa51eb30e5 [0,2,0,0,0,0|0,1,0]=3 407 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [0,2,0,0,0,0|0,0,0]=2 408 B7R0.3 CC[C@@H](C)NCOC 6f18e43812c50f5929ea1f0282d55276 [0,2,0,0,0,0|0,1,0]=3 409 B7R0.3 CC[C@@H](C)NCSC b2ccc0121f9ed49266567b6f15a655a0 [0,2,0,0,0,0|0,0,0]=2 410 B7R0.3 CC[C@@H](C)OCC#N 967f2c3fca95251181598ab565d2caef [0,2,0,0,0,0|1,0,0]=3 411 B7R0.3 CC[C@@H](C)OCC=O fcdaaaea8501897d08b7daa2ec02db5c [0,2,0,0,0,0|0,1,0]=3 412 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [0,2,0,0,0,0|1,0,0]=3 413 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [0,2,0,0,0,0|0,0,0]=2 414 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [0,2,0,0,0,0|0,1,0]=3 415 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [0,2,0,0,0,0|0,0,0]=2 416 B7R0.3 CC[C@@H](O)CNC=O 35e0b928eef0050ada3a4c2a6cc4db4c [0,2,0,0,0,0|1,1,0]=4 417 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,2,0,0,0,0|2,0,0]=4 418 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,2,0,0,0,0|1,1,0]=4 419 B7R0.3 CC[C@H](C)CNC#N 2d01ca5f7fbda4ac4ea7b7d65717717e [0,2,0,0,0,0|1,0,0]=3 420 B7R0.3 CC[C@H](C)CNC=O 8ddf4a7afc076d1492904a4e2d1a92ee [0,2,0,0,0,0|0,1,0]=3 421 B7R0.3 CC[C@H](C)CNCF d271465589c016cce21e3753bb72dfde [0,2,0,0,0,0|1,0,0]=3 422 B7R0.3 CC[C@H](C)CNCO 0fe58ceb43d0411047b54aeefa27fcda [0,2,0,0,0,0|0,1,0]=3 423 B7R0.3 CC[C@H](C)COCF 4d1b50442964dee0f36120907b5bf9ca [0,2,0,0,0,0|0,1,0]=3 424 B7R0.3 CC[C@H](C)NCC#N 79fe87b82bd2f5a7dcac84c0d29fce58 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.3 CC[C@H](C)NCC=O b6d86a7489e7187a7b6be26ba88b7b85 [0,2,0,0,0,0|0,1,0]=3 426 B7R0.3 CC[C@H](C)NCCF c11007e79ee49cb1e974e79b53eb68c8 [0,2,0,0,0,0|1,0,0]=3 427 B7R0.3 CC[C@H](C)NCCO 14df35d641eb74814d616543d777742c [0,2,0,0,0,0|0,1,0]=3 428 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [0,2,0,0,0,0|0,0,0]=2 429 B7R0.3 CC[C@H](C)NCOC 487baefd593a366fd401fe5a0b33d07a [0,2,0,0,0,0|0,1,0]=3 430 B7R0.3 CC[C@H](C)NCSC b4999c020810a33e4d86f949175dda2d [0,2,0,0,0,0|0,0,0]=2 431 B7R0.3 CC[C@H](C)OCC#N ea9aeb285d0ece3233263861719aeec4 [0,2,0,0,0,0|1,0,0]=3 432 B7R0.3 CC[C@H](C)OCC=O 1749dffdbae3c22c50ca54c1db5fd2b4 [0,2,0,0,0,0|0,1,0]=3 433 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [0,2,0,0,0,0|0,0,0]=2 435 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [0,2,0,0,0,0|0,1,0]=3 436 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [0,2,0,0,0,0|0,0,0]=2 437 B7R0.3 CN(CF)CCC#N db1fa58dc9f9facd080815f5d029a9e9 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.3 CN(CF)CCCO d4f0b34db0d9c626af3b938b320480ee [0,2,0,0,0,0|2,0,0]=4 439 B7R0.3 CN(CF)CCON b28b71744b9420d3fe5bec0f9f3e697f [0,2,0,0,0,0|2,0,0]=4 440 B7R0.3 CN(CO)CCC#N e77ebb921e94a58b4ab05bdb73cc9833 [0,2,0,0,0,0|1,1,0]=4 441 B7R0.3 CN(CO)CCCO 50d216450d408b356dcec2a42a299a65 [0,2,0,0,0,0|1,1,0]=4 442 B7R0.3 CN(CO)CCON 9c2ef7d0d0911f18089b0c9ab5d1316f [0,2,0,0,0,0|1,1,0]=4 443 B7R0.3 COC(C)CNC#N 91875f2280c0290e923e7b3aea16a1e4 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.3 COC(C)COCF c722a3f5401ca397f89df05f571bb3b2 [0,2,0,0,0,0|1,1,0]=4 445 B7R0.3 COCCN(C)CF cbc818a22d9e0a334cc2dbb905dc990d [0,2,0,0,0,0|2,0,0]=4 446 B7R0.3 COCCN(C)CO f3ab77dcf49e4ea629dcebe32a49a2b1 [0,2,0,0,0,0|1,1,0]=4 447 B7R0.3 COCNC(C)C#N ba246a7aa0bebb2f328a27e597041eea [0,2,0,0,0,0|1,0,1]=4 448 B7R0.3 COCNC(C)CO d9fc4f8dca5bf8aac173b2beda690449 [0,2,0,0,0,0|0,1,0]=3 449 B7R0.3 COCN[C@@H](C)CO 9f63bce992902a4f83c57ec0b08063e7 [0,2,0,0,0,0|0,1,0]=3 450 B7R0.3 COCN[C@H](C)CO c2d3c8f32c0c9b24129dc2255add4931 [0,2,0,0,0,0|0,1,0]=3 451 B7R0.3 COCOC(C)C#N 85e904d8cb0c25f94e972581402e1470 [0,2,0,0,0,0|1,0,1]=4 452 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,2,0,0,0,0|0,1,1]=4 453 B7R0.3 COCOC(C)CF 6a9dcf8f1b1aaa2624756f79d32e8649 [0,2,0,0,0,0|1,0,0]=3 454 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,2,0,0,0,0|0,1,1]=4 455 B7R0.3 CO[C@@H](C)CNC#N 874a7eb040c9314a32d3047a8385e5ee [0,2,0,0,0,0|2,0,0]=4 456 B7R0.3 CO[C@@H](C)CNC=O cbdf409ea735afb7a574d69375fb28db [0,2,0,0,0,0|1,1,0]=4 457 B7R0.3 CO[C@@H](C)CNCF d565ed3e1243bb1223e9664c2fc97af8 [0,2,0,0,0,0|2,0,0]=4 458 B7R0.3 CO[C@@H](C)CNCO ff28fd2c886f6ee1545aaf943963c99e [0,2,0,0,0,0|1,1,0]=4 459 B7R0.3 CO[C@@H](C)COCF 6e6ff1c74d26861c98bac3895e10d598 [0,2,0,0,0,0|1,1,0]=4 460 B7R0.3 CO[C@H](C)CNC#N 9e41f009ca9048dba1538743d127a2bb [0,2,0,0,0,0|2,0,0]=4 461 B7R0.3 CO[C@H](C)CNC=O 943b01dc3bd1c6157c7dfb62f870e0a6 [0,2,0,0,0,0|1,1,0]=4 462 B7R0.3 CO[C@H](C)CNCF ceaa416f9fa3f4676b4c6f05e53da533 [0,2,0,0,0,0|2,0,0]=4 463 B7R0.3 CO[C@H](C)CNCO ef2aaae2be2c576592de749a4d18a6e8 [0,2,0,0,0,0|1,1,0]=4 464 B7R0.3 CO[C@H](C)COCF 0c169ac11c6c9290a799aeebebac70a7 [0,2,0,0,0,0|1,1,0]=4 465 B7R0.3 CSCCN(C)CF 890b5ffb8cf7a6973b2ee7dfd458ffb1 [0,2,0,0,0,0|2,0,0]=4 466 B7R0.3 CSCCN(C)CO 3bce2c59e540fe3e66c7fb7a4d29cc3f [0,2,0,0,0,0|1,1,0]=4 467 B7R0.3 CSCNC(C)C#N 909ed7ecab76fb168afeb2c1846e5c40 [0,2,0,0,0,0|1,0,1]=4 468 B7R0.3 CSCNC(C)CO 6d4e5438054fc7d727ab269c682f1f18 [0,2,0,0,0,0|0,1,0]=3 469 B7R0.3 CSCN[C@@H](C)CO 902809602258c785ac8e71bdd59c992c [0,2,0,0,0,0|0,1,0]=3 470 B7R0.3 CSCN[C@H](C)CO a6e9f797fabfba51a16375762c3c5872 [0,2,0,0,0,0|0,1,0]=3 471 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,2,0,0,0,0|0,1,1]=4 472 B7R0.3 CSCOC(C)CF 65e26bd5fd3fba937ab56c5fd2b72624 [0,2,0,0,0,0|1,0,0]=3 473 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [0,2,0,0,0,0|0,0,0]=2 474 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [0,2,0,0,0,0|0,0,0]=2 475 B7R0.3 C[C@@H](CO)CNC#N 7a344dd06ac74d3463a9149daec39991 [0,2,0,0,0,0|0,1,1]=4 476 B7R0.3 C[C@@H](CO)NCC#N d8554bf09d9bf0f3b9c5c96f6682e84c [0,2,0,0,0,0|0,1,1]=4 477 B7R0.3 C[C@@H](CO)NCC=O 20c7bf02d372e36cba042ac5b28907f5 [0,2,0,0,0,0|0,1,1]=4 478 B7R0.3 C[C@@H](CO)NCCBr 5bfdda3a2e7eed27dfaa991ff0ef97da [0,2,0,0,0,0|0,1,0]=3 479 B7R0.3 C[C@@H](CO)NCCF c52aa10a04722f940d2009fa7a4930ad [0,2,0,0,0,0|0,1,0]=3 480 B7R0.3 C[C@@H](CO)NCCI 6bdc75e50c6dc3234bc69f090327544f [0,2,0,0,0,0|0,1,0]=3 481 B7R0.3 C[C@@H](CO)NCCO f533b151726db8df114b2e138c242e75 [0,2,0,0,0,0|0,1,0]=3 482 B7R0.3 C[C@@H](CO)NCCS 7391d6153b1cb03960b0fd4a99934217 [0,2,0,0,0,0|0,1,0]=3 483 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,2,0,0,0,0|0,1,1]=4 484 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,2,0,0,0,0|0,1,1]=4 485 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,2,0,0,0,0|0,1,1]=4 486 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,2,0,0,0,0|0,1,1]=4 487 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,2,0,0,0,0|0,1,1]=4 488 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,2,0,0,0,0|0,1,1]=4 489 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,2,0,0,0,0|0,1,1]=4 490 B7R0.3 C[C@H](CO)CNC#N 2a6f52445ff6cd319e157e5dd9f01c27 [0,2,0,0,0,0|0,1,1]=4 491 B7R0.3 C[C@H](CO)CNC=O 32037413a41facbb9dd3661f525eb476 [0,2,0,0,0,0|0,1,1]=4 492 B7R0.3 C[C@H](CO)CNCF f5548f2764a66a9258eff90a77f81616 [0,2,0,0,0,0|0,1,0]=3 493 B7R0.3 C[C@H](CO)CNCO e7c0a7e8a9580f5a7445a0921a5a0780 [0,2,0,0,0,0|0,1,0]=3 494 B7R0.3 C[C@H](CO)NCC#N eeac0d90e9037dcf16f1babdaf474c04 [0,2,0,0,0,0|0,1,1]=4 495 B7R0.3 C[C@H](CO)NCC=O 1a3e3f6cab470e0221e0a223d10de41c [0,2,0,0,0,0|0,1,1]=4 496 B7R0.3 C[C@H](CO)NCCBr cfab7907db9e63f890c879384e24e5b4 [0,2,0,0,0,0|0,1,0]=3 497 B7R0.3 C[C@H](CO)NCCF cb91bb5edb2a0c63c570d34f11071d1c [0,2,0,0,0,0|0,1,0]=3 498 B7R0.3 C[C@H](CO)NCCI 7e2db315aeaaac49480cb09083a749f2 [0,2,0,0,0,0|0,1,0]=3 499 B7R0.3 C[C@H](CO)NCCO 57e737113b903a53b0864be81471f1e6 [0,2,0,0,0,0|0,1,0]=3 500 B7R0.3 C[C@H](CO)NCCS ca2eaea9731c563c60cf01430832dca9 [0,2,0,0,0,0|0,1,0]=3 501 B7R0.3 C[C@H](CS)OCC#N 8dcfe103d095e6274fbc4d899e558965 [0,2,0,0,0,0|0,0,1]=3 502 B7R0.3 C[C@H](CS)OCC=O 54b8c633a4f5d8e7a615987326df81f2 [0,2,0,0,0,0|0,0,1]=3 503 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [0,2,0,0,0,0|0,0,0]=2 504 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [0,2,0,0,0,0|0,0,0]=2 505 B7R0.3 FCNCC(Br)CBr 1ef63de9bcba29a9921cdc72d2881d43 [0,2,0,0,0,0|2,0,0]=4 506 B7R0.3 FCOCC(Br)CBr 7f15e80ef386e790b46d1e9fe9404558 [0,2,0,0,0,0|2,0,0]=4 507 B7R0.3 FCOCC(Cl)CCl 1e9e33554394af661816cb29dc417019 [0,2,0,0,0,0|2,0,0]=4 508 B7R0.3 FCOCC(S)CS 34815cee2df2ec40989f80ad6dd621e0 [0,2,0,0,0,0|1,0,0]=3 509 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [0,2,0,0,0,0|1,0,1]=4 510 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [0,2,0,0,0,0|1,0,1]=4 511 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [0,2,0,0,0,0|1,0,1]=4 512 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [0,2,0,0,0,0|1,0,1]=4 513 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [0,2,0,0,0,0|1,0,1]=4 514 B7R0.3 OCC(F)CNCF 607206b62b5f23920999166b86623bd5 [0,2,0,0,0,0|1,1,0]=4 515 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,2,0,0,0,0|1,1,0]=4 516 B7R0.3 OCNCC(Br)CBr 7725489d16006f372c378046176c1017 [0,2,0,0,0,0|2,0,0]=4 517 B7R0.3 OCNCC(F)CO d003daa9df0bedf54497bab67e067e4d [0,2,0,0,0,0|1,1,0]=4 518 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,2,0,0,0,0|1,1,0]=4 519 B7R0.3 OCNC[C@@H](F)CO a28128c9f2e18b65078fba4a8d404dfa [0,2,0,0,0,0|1,1,0]=4 520 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,2,0,0,0,0|1,1,0]=4 521 B7R0.3 OCNC[C@H](F)CO 1d5b8cea390941ee3134c3e285008ef4 [0,2,0,0,0,0|1,1,0]=4 522 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,2,0,0,0,0|1,1,0]=4 523 B7R0.3 OC[C@@H](F)CNCF 3aebdfd263b5ec6aa79bef613f450fad [0,2,0,0,0,0|1,1,0]=4 524 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,2,0,0,0,0|1,1,0]=4 525 B7R0.3 OC[C@H](F)CNCF a1aedce676f9a92f11db3a848c02f5ec [0,2,0,0,0,0|1,1,0]=4 526 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,2,0,0,0,0|1,1,0]=4 527 B7R0.5 C#CCN(C)C(C)C 3dbde8408e4d2a075d256a7d30b5765d [0,2,0,0,0,0|2,0,0]=4 528 B7R0.5 C=CCN(C)C(C)C 96de01368c533ec0e3507154958af2ed [0,2,0,0,0,0|2,0,0]=4 529 B7R0.5 CC(=O)C(C)OCF 7c6a7a2752d146ccb367c2a6ec272a5d [0,2,0,0,0,0|1,0,1]=4 530 B7R0.5 CC(C)C(C)NC#N c1d5db6fd1627cb82f8f7326c8a6c7a2 [0,2,0,0,0,0|1,0,1]=4 531 B7R0.5 CC(C)C(C)NC=O 4e819ff0160e7ed0f2ff22f1b3980c8f [0,2,0,0,0,0|0,1,1]=4 532 B7R0.5 CC(C)C(C)NCF 643136cdaccdc2c2feaceaf8387098cb [0,2,0,0,0,0|1,0,0]=3 533 B7R0.5 CC(C)C(C)NCO 3e5c534ac08ff52ad797b9ecde6db54e [0,2,0,0,0,0|0,1,0]=3 534 B7R0.5 CC(C)C(C)OCF 80276d10e0b66e37d961ea14d47b0969 [0,2,0,0,0,0|1,0,0]=3 535 B7R0.5 CC(C)N(C)CC#N d0d15547a218aac9b3147a62c8b0ad53 [0,2,0,0,0,0|2,0,0]=4 536 B7R0.5 CC(C)N(C)CC=O dce9ec45ecad4267effdc3296bdfc642 [0,2,0,0,0,0|1,1,0]=4 537 B7R0.5 CC(C)N(C)CCF bb72ad0b6f8866b4436bef306a64fc30 [0,2,0,0,0,0|2,0,0]=4 538 B7R0.5 CC(C)N(C)CCO 81a28f5ee4f12e11b2d2f617ef1d3581 [0,2,0,0,0,0|1,1,0]=4 539 B7R0.5 CC(C)N(C)CCS c1764d6a23c86a90688037664afc4e82 [0,2,0,0,0,0|1,0,0]=3 540 B7R0.5 CC(C)[C@@H](C)NC=O 83a0d0bfb3b7ec5a070ad221a7115b67 [0,2,0,0,0,0|0,1,1]=4 541 B7R0.5 CC(C)[C@@H](C)NCF b41e18f15d7a7a980d0fe6a1eba98267 [0,2,0,0,0,0|1,0,0]=3 542 B7R0.5 CC(C)[C@@H](C)NCO dae9283d092fb775f557bbf40fd5342a [0,2,0,0,0,0|0,1,0]=3 543 B7R0.5 CC(C)[C@@H](C)OCF 424651f56e9c7a59f079f55fb4486da5 [0,2,0,0,0,0|1,0,0]=3 544 B7R0.5 CC(C)[C@H](C)NC=O bcc2ba4727ee5d240548f8fc29a1480b [0,2,0,0,0,0|0,1,1]=4 545 B7R0.5 CC(C)[C@H](C)NCF e48701e9d3440c0ecd05eac322b8d2d3 [0,2,0,0,0,0|1,0,0]=3 546 B7R0.5 CC(C)[C@H](C)NCO 8adad5810c92a16d836b9deea9f0a802 [0,2,0,0,0,0|0,1,0]=3 547 B7R0.5 CC(C)[C@H](C)OCF 6f8956e151353b4df44e100c25e804da [0,2,0,0,0,0|1,0,0]=3 548 B7R0.5 CC(O)C(C)NC=O 260810e8bba0286df97574f1b44d4d22 [0,2,0,0,0,0|0,1,1]=4 549 B7R0.5 CC(O)C(C)NCF bf97ad3ecde72b9ce907773444f2ac7d [0,2,0,0,0,0|1,0,0]=3 550 B7R0.5 CC(O)C(C)NCO f5ad7a8ea3ea402c77cd7eb338910db7 [0,2,0,0,0,0|0,1,0]=3 551 B7R0.5 CC(OCF)C(F)F 16365069207606d0fbef2881afd73236 [0,2,0,0,0,0|2,0,0]=4 552 B7R0.5 CC(S)C(C)OCF c7099e5b1e3a4f16ef567413c6077b3f [0,2,0,0,0,0|1,0,0]=3 553 B7R0.5 CCCN(C)C(C)C 3141e8fbdc6c20712cffde27068901ab [0,2,0,0,0,0|2,0,0]=4 554 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,2,0,0,0,0|0,1,1]=4 555 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,2,0,0,0,0|0,1,1]=4 556 B7R0.5 CCNC(C)C(C)C 6ff6c70a41ff0de8b891e50966ef9339 [0,2,0,0,0,0|1,0,0]=3 557 B7R0.5 CCNC(C)C(C)O 392d96cf423ba6d8f5882a82ddace883 [0,2,0,0,0,0|0,1,0]=3 558 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,2,0,0,0,0|0,1,1]=4 559 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,2,0,0,0,0|0,1,1]=4 560 B7R0.5 CCN[C@@H](C)C(C)C 54d4aa17c71caa18f971b7cc220c5c61 [0,2,0,0,0,0|1,0,0]=3 561 B7R0.5 CCN[C@@H](C)C(F)F f76fde6ed819e493c6854180a8253124 [0,2,0,0,0,0|1,0,0]=3 562 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,2,0,0,0,0|0,1,1]=4 563 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,2,0,0,0,0|0,1,1]=4 564 B7R0.5 CCN[C@H](C)C(C)C 26ce300d7da809c460e59e21a4343853 [0,2,0,0,0,0|1,0,0]=3 565 B7R0.5 CCN[C@H](C)C(F)F 9d31d6515dd78ca74d9458514fa1e8c8 [0,2,0,0,0,0|1,0,0]=3 566 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,2,0,0,0,0|0,1,1]=4 567 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,2,0,0,0,0|0,1,1]=4 568 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,2,0,0,0,0|0,1,1]=4 569 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [0,2,0,0,0,0|1,0,0]=3 570 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [0,2,0,0,0,0|0,0,0]=2 571 B7R0.5 CCOC(C)C(F)F 6f25fcdcd396a613a3486f9e7e152366 [0,2,0,0,0,0|1,0,0]=3 572 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,2,0,0,0,0|0,1,1]=4 573 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,2,0,0,0,0|0,1,1]=4 574 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [0,2,0,0,0,0|1,0,0]=3 575 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,2,0,0,0,0|0,1,1]=4 576 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,2,0,0,0,0|0,1,1]=4 577 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,2,0,0,0,0|1,0,0]=3 578 B7R0.5 COCN(C)C(C)C 56238f6328cf364463db0f0876210615 [0,2,0,0,0,0|1,1,0]=4 579 B7R0.5 CSCN(C)C(C)C 6bade958cb762672bfe3ad82fb307ca1 [0,2,0,0,0,0|1,0,0]=3 580 B7R0.5 C[C@@H](NCF)C(F)F 4ddc824ca2e661f3486a62a61d8cf460 [0,2,0,0,0,0|2,0,0]=4 581 B7R0.5 C[C@@H](NCO)C(F)F 38642516c345d28e61569cfbe9318217 [0,2,0,0,0,0|1,1,0]=4 582 B7R0.5 C[C@H](NCF)C(F)F 356f58b31e1952584ab32862c122a5a9 [0,2,0,0,0,0|2,0,0]=4 583 B7R0.5 C[C@H](NCO)C(F)F 5e56f11b7a9591f06cfba0d673d3d347 [0,2,0,0,0,0|1,1,0]=4 584 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,2,0,0,0,0|1,0,0]=3 585 B7R0.7 C#CCC(C)OCF 16061fafa3f4241ec92e731e35fafd1d [0,2,0,0,0,0|1,0,1]=4 586 B7R0.7 C#CCN(C)CCC 612e0a8dc259a7d3bd70bcd5ce21a061 [0,2,0,0,0,0|2,0,0]=4 587 B7R0.7 C#CCN(C)CCF df29886d4ac161a548a9953e69193c99 [0,2,0,0,0,0|2,0,0]=4 588 B7R0.7 C#CCN(C)CCO 2ad3b74ccac932faf05fc96ebabb73e8 [0,2,0,0,0,0|2,0,0]=4 589 B7R0.7 C#CCN(C)CCS ea6c92d51fb4602fb7890a8adec77ea4 [0,2,0,0,0,0|1,0,1]=4 590 B7R0.7 C#CCN(C)COC e8633b7f971effc12aa02cc6c8d437b8 [0,2,0,0,0,0|2,0,0]=4 591 B7R0.7 C#CCN(C)CSC cf6cea4b6865efb6652c07d118f3814d [0,2,0,0,0,0|1,0,1]=4 592 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,2,0,0,0,0|1,0,1]=4 593 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [0,2,0,0,0,0|1,0,1]=4 594 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|1,0,0]=3 595 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,2,0,0,0,0|1,0,1]=4 596 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,2,0,0,0,0|2,0,0]=4 597 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [0,2,0,0,0,0|2,0,0]=4 598 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,2,0,0,0,0|2,0,0]=4 599 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [0,2,0,0,0,0|1,0,1]=4 600 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [0,2,0,0,0,0|2,0,0]=4 601 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,2,0,0,0,0|1,0,1]=4 602 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|1,0,0]=3 603 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,2,0,0,0,0|1,0,1]=4 604 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|1,0,0]=3 605 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,2,0,0,0,0|1,0,1]=4 606 B7R0.7 CC#CC(C)OCC 7d169bd73109df0adecd56f315bb5686 [0,2,0,0,0,0|1,0,1]=4 607 B7R0.7 CC#CC(C)OCF 120399d6c9f7a5f34dd4ff1f36895efd [0,2,0,0,0,0|1,0,1]=4 608 B7R0.7 CC(CC#N)NCF f2820184ed483d3978246ff4804f27c4 [0,2,0,0,0,0|1,0,1]=4 609 B7R0.7 CC(CC#N)NCO 285fc00c27a8813f2c741df2c2c44678 [0,2,0,0,0,0|0,1,1]=4 610 B7R0.7 CC(CC#N)OCF 0972addb855c14f5b1b9ae512dd7d335 [0,2,0,0,0,0|1,0,1]=4 611 B7R0.7 CC(CCO)NC#N e70b82d41e1ede507c7c5722bde31959 [0,2,0,0,0,0|1,0,1]=4 612 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,2,0,0,0,0|0,1,1]=4 613 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,2,0,0,0,0|1,0,0]=3 614 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,2,0,0,0,0|0,1,0]=3 615 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,2,0,0,0,0|1,0,1]=4 616 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [0,2,0,0,0,0|1,0,1]=4 617 B7R0.7 CCCC(C)NC#N 6ccb4a7f9bfbd442a47f4d4e2e5f0f39 [0,2,0,0,0,0|1,0,1]=4 618 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,2,0,0,0,0|0,1,1]=4 619 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,2,0,0,0,0|1,0,0]=3 620 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,2,0,0,0,0|1,0,0]=3 621 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,2,0,0,0,0|0,1,0]=3 622 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,2,0,0,0,0|1,0,0]=3 623 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,2,0,0,0,0|1,0,0]=3 624 B7R0.7 CCCN(C)CC#N c34e551c8e457e324f03b5cf2a22f014 [0,2,0,0,0,0|2,0,0]=4 625 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,2,0,0,0,0|1,1,0]=4 626 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,2,0,0,0,0|2,0,0]=4 627 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,2,0,0,0,0|2,0,0]=4 628 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,2,0,0,0,0|1,1,0]=4 629 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,2,0,0,0,0|1,0,0]=3 630 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,2,0,0,0,0|1,1,0]=4 631 B7R0.7 CCCN(C)CSC 08af67ba2c61bafd912a4ccbd1478a94 [0,2,0,0,0,0|1,0,0]=3 632 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,2,0,0,0,0|1,0,0]=3 633 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,2,0,0,0,0|1,0,0]=3 634 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,2,0,0,0,0|0,1,1]=4 635 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,2,0,0,0,0|1,0,0]=3 636 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,2,0,0,0,0|1,0,0]=3 637 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,2,0,0,0,0|0,1,0]=3 638 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,2,0,0,0,0|1,0,0]=3 639 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,2,0,0,0,0|1,0,0]=3 640 B7R0.7 CCNC(C)CC#N 896c231cd495c6357e72819fab470c66 [0,2,0,0,0,0|1,0,0]=3 641 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,2,0,0,0,0|0,1,0]=3 642 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,2,0,0,0,0|0,1,0]=3 643 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,2,0,0,0,0|0,1,0]=3 644 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,2,0,0,0,0|0,1,0]=3 645 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,2,0,0,0,0|0,1,0]=3 646 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,2,0,0,0,0|0,1,0]=3 647 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,2,0,0,0,0|1,0,0]=3 648 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,2,0,0,0,0|0,1,0]=3 649 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,2,0,0,0,0|0,0,0]=2 650 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,2,0,0,0,0|1,0,0]=3 651 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,2,0,0,0,0|0,1,0]=3 652 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,2,0,0,0,0|1,0,0]=3 653 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,2,0,0,0,0|0,1,0]=3 654 B7R0.7 CN(CC#N)CCF 3bc0828dbbba171bdbab8b6e58123b51 [0,2,0,0,0,0|2,0,0]=4 655 B7R0.7 CN(CC#N)CCO da549d8b05a367d96c2eb82090c24747 [0,2,0,0,0,0|2,0,0]=4 656 B7R0.7 CN(CC#N)CCS 6dd3033cb5ef37d53747570dda931809 [0,2,0,0,0,0|1,0,1]=4 657 B7R0.7 CN(CC=O)CCF e000d0184f9f374c5d6d2759945d9138 [0,2,0,0,0,0|1,1,0]=4 658 B7R0.7 CN(CC=O)CCO c9392a8ee79c46afd21599c8df016274 [0,2,0,0,0,0|1,1,0]=4 659 B7R0.7 CN(CCF)CCF bdb46c56f93255441856b85ff01eb9dd [0,2,0,0,0,0|2,0,0]=4 660 B7R0.7 CN(CCF)CCS 51a5a054c764c97b1b3f4764ff1b15f7 [0,2,0,0,0,0|1,0,0]=3 661 B7R0.7 CN(CCO)CCF 423bb7df0641cc2b0b9f40d044f22314 [0,2,0,0,0,0|1,1,0]=4 662 B7R0.7 CN(CCO)CCO ef0e337ef14d25ff6ba8a3c07f6d7053 [0,2,0,0,0,0|1,1,0]=4 663 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,2,0,0,0,0|1,0,0]=3 664 B7R0.7 COCC(C)NC#N 871d3e288a7c4756795571eac781bef6 [0,2,0,0,0,0|1,0,1]=4 665 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,2,0,0,0,0|0,1,1]=4 666 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,2,0,0,0,0|1,0,0]=3 667 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,2,0,0,0,0|0,1,0]=3 668 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,2,0,0,0,0|1,0,0]=3 669 B7R0.7 COCN(C)CC#N 44d137899a7a4587fa067b642019fa42 [0,2,0,0,0,0|2,0,0]=4 670 B7R0.7 COCN(C)CCF 462c4168e49a87fc94c059780d3b18c2 [0,2,0,0,0,0|1,1,0]=4 671 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,2,0,0,0,0|1,1,0]=4 672 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,2,0,0,0,0|0,1,1]=4 673 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,2,0,0,0,0|1,0,0]=3 674 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,2,0,0,0,0|0,1,0]=3 675 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,2,0,0,0,0|1,0,0]=3 676 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,2,0,0,0,0|0,1,1]=4 677 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,2,0,0,0,0|1,0,0]=3 678 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,2,0,0,0,0|0,1,0]=3 679 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,2,0,0,0,0|1,0,0]=3 680 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,2,0,0,0,0|1,0,0]=3 681 B7R0.7 CSCN(C)CC#N 63f0ea4e5ce933e4951dd83f4f114974 [0,2,0,0,0,0|1,0,1]=4 682 B7R0.7 CSCN(C)CCF 9d16e27a475cba1630b67c24ce2c9bd7 [0,2,0,0,0,0|1,0,0]=3 683 B7R0.7 CSCN(C)CCO 7ed81f2aa884158a210c057b422414ea [0,2,0,0,0,0|1,0,0]=3 684 B7R0.7 C[C@@H](CC#N)OCF 69332a263c9d59474fcf15322740989a [0,2,0,0,0,0|1,0,1]=4 685 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,2,0,0,0,0|0,1,1]=4 686 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,2,0,0,0,0|1,0,0]=3 687 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,2,0,0,0,0|0,1,0]=3 688 B7R0.7 C[C@H](CC#N)OCF 9dbd768d6224ac240ada1a649aeb97a3 [0,2,0,0,0,0|1,0,1]=4 689 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,2,0,0,0,0|0,1,1]=4 690 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,2,0,0,0,0|1,0,0]=3 691 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,2,0,0,0,0|0,1,0]=3 692 B7R0.10 C#CC(C)N(C)CC da354114903036d1fea5b0938f681f0b [0,2,0,0,0,0|1,0,1]=4 693 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,2,0,0,0,0|1,0,1]=4 694 B7R0.10 CC(CO)N(C)C=O 4659927dd4489ef42e67e78276d3b1b4 [0,2,0,0,0,0|1,1,0]=4 695 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [0,2,0,0,0,0|2,0,0]=4 696 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,2,0,0,0,0|0,1,1]=4 697 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,2,0,0,0,0|1,0,0]=3 698 B7R0.10 CCC(C)N(C)CF d256e2823039dc8016c48630c6e9d811 [0,2,0,0,0,0|1,0,0]=3 699 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [0,2,0,0,0,0|0,1,0]=3 700 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [0,2,0,0,0,0|2,0,0]=4 701 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [0,2,0,0,0,0|1,1,0]=4 702 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [0,2,0,0,0,0|1,0,0]=3 703 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,2,0,0,0,0|0,1,1]=4 704 B7R0.10 CCN(C)C(C)CO bebabfe649434d11c02db23f8c999491 [0,2,0,0,0,0|0,1,0]=3 705 B7R0.10 CCN(C)[C@@H](C)CO 0928581d52d4c504aa98f7d51aa86889 [0,2,0,0,0,0|0,1,0]=3 706 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,2,0,0,0,0|0,1,1]=4 707 B7R0.10 CCN(C)[C@H](C)CO 9f8b649df632bf19345f656ecd33a6ed [0,2,0,0,0,0|0,1,0]=3 708 B7R0.10 C[C@@H](CO)N(C)C=O b94b965b512745cf284fdc052a9474ae [0,2,0,0,0,0|1,1,0]=4 709 B7R0.10 C[C@H](CO)N(C)C=O c4c1d9e89c0731cbc76ea32ef421fbca [0,2,0,0,0,0|1,1,0]=4 710 B7R0.11 C#CC(C)(C)NCC 4e7a2dc62b6da47e4e55e15fbb84ccfc [0,2,0,0,0,0|1,0,1]=4 711 B7R0.11 CC(C)(CF)NCF 0afbbc1eb13e221acd054d95be70b2bb [0,2,0,0,0,0|2,0,0]=4 712 B7R0.11 CC(C)(CF)NCO c940ff355764cfdd76020cc0b4ab5253 [0,2,0,0,0,0|1,1,0]=4 713 B7R0.11 CC(C)(CO)NCF ff77a8ad6259112da8c0c0f8599c831a [0,2,0,0,0,0|1,1,0]=4 714 B7R0.11 CC(C)(CO)NCO 578f64725530e197f863ff1a0df69a3b [0,2,0,0,0,0|1,1,0]=4 715 B7R0.11 CCC(C)(C)NC=O 467bc47a116e7d37bf8e07bc1f187838 [0,2,0,0,0,0|0,1,1]=4 716 B7R0.11 CCC(C)(C)NCF 43464e32d81406c57eda8518b346c632 [0,2,0,0,0,0|1,0,0]=3 717 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [0,2,0,0,0,0|0,1,0]=3 718 B7R0.11 CCNC(C)(C)C#N a6aa7c2beec82958604a84b90bc324e8 [0,2,0,0,0,0|1,0,1]=4 719 B7R0.11 CCNC(C)(C)CC adae57986ab49a20b402c3b11b898ff8 [0,2,0,0,0,0|1,0,0]=3 720 B7R0.11 CCNC(C)(C)CF bb534d52eb5abb944f47ed497fecbe74 [0,2,0,0,0,0|1,0,0]=3 721 B7R0.11 CCNC(C)(C)CO cfe1036a3afdbdcb353cbcf66ecedd65 [0,2,0,0,0,0|0,1,0]=3 722 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [0,2,0,0,0,0|1,0,1]=4 723 B7R0.12 C#CC(CC)OCF 8bef453312f7ac6f09d4b91d036d83cb [0,2,0,0,0,0|1,0,1]=4 724 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,2,0,0,0,0|1,0,1]=4 725 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,2,0,0,0,0|1,0,1]=4 726 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,2,0,0,0,0|0,1,1]=4 727 B7R0.12 CCC(C#N)OCF c9ae646c0f0951391fec3ccfa891e7b4 [0,2,0,0,0,0|1,0,1]=4 728 B7R0.12 CCC(CC)NC#N 656055097bc6f06330a152946e9b48af [0,2,0,0,0,0|1,0,1]=4 729 B7R0.12 CCC(CC)NC=O 4175bd0bc40e9e83245363507b336b46 [0,2,0,0,0,0|0,1,1]=4 730 B7R0.12 CCC(CC)NCF 3d9bfd0de6efff0c7eb71abdfe1f3338 [0,2,0,0,0,0|1,0,0]=3 731 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,2,0,0,0,0|0,1,0]=3 732 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,2,0,0,0,0|1,0,0]=3 733 B7R0.12 CCC(CO)NC#N cb7de5b96a5581c4dc7a1322b8ea92a1 [0,2,0,0,0,0|0,1,1]=4 734 B7R0.12 CCC(CO)NC=O 742cd9cb7df8523077fcd6bd9de1d480 [0,2,0,0,0,0|0,1,1]=4 735 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [0,2,0,0,0,0|0,1,0]=3 736 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [0,2,0,0,0,0|0,1,0]=3 737 B7R0.12 CCCN(CC)CC cee9a7f56e1e423b5ee592f89dcd5a79 [0,2,0,0,0,0|2,0,0]=4 738 B7R0.12 CCCN(CC)CF bb959a7f19e3a674eec89c0630b059f9 [0,2,0,0,0,0|2,0,0]=4 739 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [0,2,0,0,0,0|1,1,0]=4 740 B7R0.12 CCN(CC)CC#N baf1f2b8d0cd11729ec166826a7b6f8a [0,2,0,0,0,0|2,0,0]=4 741 B7R0.12 CCN(CC)CCCl af83f640ef226b8187817c489013777d [0,2,0,0,0,0|2,0,0]=4 742 B7R0.12 CCN(CC)CCO 3ebc0ce6d105088470f67e45ca611640 [0,2,0,0,0,0|1,1,0]=4 743 B7R0.12 CCN(CF)CC#N e46af3e074483ce73bb5319ac4407aa6 [0,2,0,0,0,0|2,0,0]=4 744 B7R0.12 CCN(CF)CCCl 43d98c1b9c6047c990dec488ba94ffde [0,2,0,0,0,0|2,0,0]=4 745 B7R0.12 CCN(CF)CCO 94620f9ce7407b818d47be3cba0eb6a5 [0,2,0,0,0,0|1,1,0]=4 746 B7R0.12 CCN(CO)CC#N 152f943a829d371696d46679569d19ac [0,2,0,0,0,0|1,1,0]=4 747 B7R0.12 CCN(CO)CCCl d55a60f7f194d512983e9fafa067d11c [0,2,0,0,0,0|1,1,0]=4 748 B7R0.12 CCN(CO)CCO 7d4857243f6d87024376644d456f8437 [0,2,0,0,0,0|1,1,0]=4 749 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [0,2,0,0,0,0|1,0,0]=3 750 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,2,0,0,0,0|0,1,0]=3 751 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [0,2,0,0,0,0|0,1,0]=3 752 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,2,0,0,0,0|0,1,0]=3 753 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,2,0,0,0,0|0,1,0]=3 754 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [0,2,0,0,0,0|1,0,1]=4 755 B7R0.12 CCOC(CBr)CBr d03e7afda2ca8d59d0335adb3716d943 [0,2,0,0,0,0|1,0,0]=3 756 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,2,0,0,0,0|1,0,0]=3 757 B7R0.12 CCOC(CCl)CBr 76ba5a657a7ea572d523f589d344dc39 [0,2,0,0,0,0|1,0,0]=3 758 B7R0.12 CCOC(CCl)CCl ce294a182f4713785d493074caf459e2 [0,2,0,0,0,0|1,0,0]=3 759 B7R0.12 CCOC(CF)CF ce94a3a5b0a102e0773db6b18934a605 [0,2,0,0,0,0|1,0,0]=3 760 B7R0.12 CCO[C@@H](CCl)CI 960e9d223c1c4a6537b1692e0aa03922 [0,2,0,0,0,0|1,0,0]=3 761 B7R0.12 CCO[C@H](CCl)CI eaef576ad3d7bec19924ce3c27aa4ce5 [0,2,0,0,0,0|1,0,0]=3 762 B7R0.12 CC[C@@H](CO)NC=O 637c953e48cb45b4be088640a9f26fb2 [0,2,0,0,0,0|0,1,1]=4 763 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [0,2,0,0,0,0|0,1,0]=3 764 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [0,2,0,0,0,0|0,1,0]=3 765 B7R0.12 CC[C@H](CO)NC=O c5c2fc5e70a5e94955887b0f6db6a1a2 [0,2,0,0,0,0|0,1,1]=4 766 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [0,2,0,0,0,0|0,1,0]=3 767 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [0,2,0,0,0,0|0,1,0]=3 768 B7R0.12 FCOC(CBr)CBr 760611b5804515a02db886829643f317 [0,2,0,0,0,0|2,0,0]=4 769 B7R0.12 FCOC(CCl)CBr 72519e805199b04a3a2f9222669bc455 [0,2,0,0,0,0|2,0,0]=4 770 B7R0.12 FCOC(CCl)CCl 118ddee96acf874a0a1fb0d0ff930d02 [0,2,0,0,0,0|2,0,0]=4 771 B7R0.12 FCOC(CF)CF 705408821521684268dfce4a5f529fde [0,2,0,0,0,0|2,0,0]=4 772 B7R0.12 FCO[C@@H](CCl)CI 311aefa9fd8da5acbb1bd157cd237075 [0,2,0,0,0,0|2,0,0]=4 773 B7R0.12 FCO[C@H](CCl)CI cd5a66f48a11f01a3a244c8c713b4bbc [0,2,0,0,0,0|2,0,0]=4 774 B7R0.12 OCC(CO)NCF dacc789514f2a3ea025a73d05b6732a8 [0,2,0,0,0,0|1,1,0]=4 775 B7R0.12 OCCN(CO)CF 94232a15791d81cb37b410703626fccb [0,2,0,0,0,0|1,1,0]=4 776 B7R0.12 OCCN(CO)CO af187b1f9b2cead4db8e768592df40f7 [0,2,0,0,0,0|1,1,0]=4 777 B7R0.12 OCNC(CO)CO eaa00950e285c87d17b1d0c52282992e [0,2,0,0,0,0|1,1,0]=4 778 B7R0.14 CCN(C)C(C)(C)C b713cbd327d098cb797fd38b303de500 [0,2,0,0,0,0|2,0,0]=4 779 B7R0.14 CN(CF)C(C)(C)C 4c8ae3f84dc11de32f781b27fe629ecc [0,2,0,0,0,0|2,0,0]=4 780 B7R0.14 CN(CO)C(C)(C)C 3ca3e9150fd005aa114afb95e9a613ad [0,2,0,0,0,0|1,1,0]=4 781 B7R0.15 CCN(CC)C(C)C 3f01a351ede1b688c65b6abfdefd7c48 [0,2,0,0,0,0|2,0,0]=4 782 B7R0.15 CCN(CF)C(C)C 9d5cf24a52f779b8159ba787e901de86 [0,2,0,0,0,0|2,0,0]=4 783 B7R0.15 CCN(CO)C(C)C 2e5cc72f2eec9d2d5cbf0a379e663ee8 [0,2,0,0,0,0|1,1,0]=4 784 B7R0.16 CC(C)N(C)C(C)C abe10f19eddfed4a9330962779694b9d [0,2,0,0,0,0|2,0,0]=4 785 B7R1.1 CCN1CC=CC1 6c4c19a4974c3e71b2e06f869bc9eb5b [0,1,0,1,0,0|2,0,0]=4 786 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [0,1,0,1,0,0|1,0,0]=3 787 B7R1.1 FCN1CCSC1 280fb2e3c3c0e89c3fe1aee00c83a980 [0,1,0,1,0,0|1,0,0]=3 788 B7R1.1 O=CN1CCSC1 deebe3649f7643e16cec43e0dece7683 [0,1,0,1,0,0|1,0,1]=4 789 B7R1.1 OCN1CCSC1 eae95837dccffc2f7a7274fcca16f66d [0,1,0,1,0,0|1,0,0]=3 790 B7R1.5 CC1CC1NC=O 11d2e4098455fa895a61be5d2e846089 [0,1,0,1,0,0|0,1,1]=4 791 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [0,1,0,1,0,0|1,0,0]=3 792 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,1,0,1,0,0|0,1,0]=3 793 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,1,0,1,0,0|1,0,0]=3 794 B7R1.5 CCN[C@@H]1C[C@H]1F a9ed78f8f4d6551b032eaf6c64ed3753 [0,1,0,1,0,0|1,0,0]=3 795 B7R1.5 CCN[C@H]1C[C@@H]1F c6b3e7162a2649713fb720ae5883a3e7 [0,1,0,1,0,0|1,0,0]=3 796 B7R1.5 CCN[C@H]1C[C@H]1F f495a57898c13a33e7cadc888da3307f [0,1,0,1,0,0|1,0,0]=3 797 B7R1.5 FCN[C@@H]1C[C@H]1F 85280cfa96aef3574f1a732db8092b29 [0,1,0,1,0,0|2,0,0]=4 798 B7R1.5 FCN[C@H]1C[C@@H]1F 1f63cb641d6bd19939755765aa7189cf [0,1,0,1,0,0|2,0,0]=4 799 B7R1.5 FCN[C@H]1C[C@H]1F 2caca4e65c5956ad486cd33521d8a5ac [0,1,0,1,0,0|2,0,0]=4 800 B7R1.5 OCN[C@@H]1C[C@H]1F 3df34e466ae971e7539960ae02b859ec [0,1,0,1,0,0|1,1,0]=4 801 B7R1.5 OCN[C@H]1C[C@@H]1F c189de4ce3986a31a5c69dca6c280199 [0,1,0,1,0,0|1,1,0]=4 802 B7R1.5 OCN[C@H]1C[C@H]1F 9d9be3ca1e72afafdc1357d9fb78bbb0 [0,1,0,1,0,0|1,1,0]=4 803 B7R1.6 C#CCN1CCC1 a67036b39eea70b25fe5aa470b5dece0 [0,1,0,1,0,0|2,0,0]=4 804 B7R1.6 C=CCN1CCC1 e2cc8c962668cfacc8166017adc3ac9b [0,1,0,1,0,0|2,0,0]=4 805 B7R1.6 CCCN1CCC1 a259a8722cbac8bcd506f8443743eda0 [0,1,0,1,0,0|2,0,0]=4 806 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,1,0,1,0,0|1,0,0]=3 807 B7R1.6 CCNC1COC1 43258951421d9554a9c394ad23b1cfb7 [0,1,0,1,0,0|0,1,0]=3 808 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,1,0,1,0,0|1,0,0]=3 809 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,1,0,0|0,1,0]=3 810 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,1,0,1,0,0|0,0,0]=2 811 B7R1.6 COCN1CCC1 fdad72c8566c59cd906eeb990103d9b4 [0,1,0,1,0,0|1,1,0]=4 812 B7R1.6 CSCN1CCC1 8d8000922b7cbeced70675a205703dc0 [0,1,0,1,0,0|1,0,0]=3 813 B7R1.6 FCCN1CCC1 52ac16ebd7ad59d3186f1b7ac85be8d4 [0,1,0,1,0,0|2,0,0]=4 814 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [0,1,0,1,0,0|1,0,0]=3 815 B7R1.6 FCNC1COC1 0688b607086181c74c3be657cc5d310c [0,1,0,1,0,0|1,1,0]=4 816 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,1,0,1,0,0|1,0,0]=3 817 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [0,1,0,1,0,0|1,1,0]=4 818 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [0,1,0,1,0,0|1,0,0]=3 819 B7R1.6 N#CCN1CCC1 d0490af96e6e986bbe19ad53bdee2c58 [0,1,0,1,0,0|2,0,0]=4 820 B7R1.6 N#CNC1CCC1 df21ae79cac4678f13f10027af64cd57 [0,1,0,1,0,0|1,0,1]=4 821 B7R1.6 O=CCN1CCC1 c2093fa3a09c779905e30743087db6d6 [0,1,0,1,0,0|1,1,0]=4 822 B7R1.6 OCCN1CCC1 1d260cf3c54be4529d167a32e498c498 [0,1,0,1,0,0|1,1,0]=4 823 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,1,0,1,0,0|0,1,0]=3 824 B7R1.6 OCNC1COC1 70c7bde4c76017dd84cc14dbc8c4b262 [0,1,0,1,0,0|1,1,0]=4 825 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [0,1,0,1,0,0|1,0,0]=3 826 B7R1.10 CCN1CC(C1)F 32dfb695f78a1b5517c30939c82ebced [0,1,0,1,0,0|2,0,0]=4 827 B7R1.10 CCN1CC(C1)O 64169be24f24ac0d0d4e63cfda9c5a6f [0,1,0,1,0,0|1,1,0]=4 828 B7R1.10 FCN1CC(C1)F 9d65814a937cc70495afa4b165d3de7e [0,1,0,1,0,0|2,0,0]=4 829 B7R1.10 OC1CN(C1)CF 00533f4df47086d1b9435610d4d9a2c0 [0,1,0,1,0,0|2,0,0]=4 830 B7R1.10 OCN1CC(C1)F 19e43561c9bc42c0c5d943ae8dadd218 [0,1,0,1,0,0|1,1,0]=4 831 B7R1.10 OCN1CC(C1)O 9ae7c55c7b7297a67fda8e2d11f0601d [0,1,0,1,0,0|1,1,0]=4 832 B7R1.21 CC1(CC1)NC=O 07b8dc5a3dd0a56dffd330aa7b75c69f [0,1,0,1,0,0|0,1,1]=4 833 B7R1.21 CC1(CC1)NCF ca95094546b9f047a7e9abc6602efda5 [0,1,0,1,0,0|1,0,0]=3 834 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [0,1,0,1,0,0|0,1,0]=3 835 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [0,1,0,1,0,0|1,0,0]=3 836 B7R1.22 CCN(C)C1CC1 476aa428dda8fdb06e16725a89d0042d [0,1,0,1,0,0|2,0,0]=4 837 B7R1.22 CN(CF)C1CC1 54383ec2d9da18df279ed6de4a3d8d6d [0,1,0,1,0,0|2,0,0]=4 838 B7R1.22 CN(CO)C1CC1 6f2172a1520d8d373b29f297b52bc26d [0,1,0,1,0,0|1,1,0]=4 839 B7R1.18 CC(C)N1CCC1 d44ed514bb3d90dbfe71cc985ec56a8b [0,1,0,1,0,0|2,0,0]=4 840 B7R1.23 CC1(CN1CF)C fef1f23f1b47177073871a5580ee83cf [0,1,0,1,0,0|2,0,0]=4 841 B7R1.23 CC1(CN1CO)C e0279fee84fe6f7f5186cbf1fccd93be [0,1,0,1,0,0|1,1,0]=4 842 B7R1.23 CCN1CC1(C)C c470c4a7bc80dec5721690a60993dfb1 [0,1,0,1,0,0|2,0,0]=4