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C#C[C@@H](C)OCF 84c9a69113565387c92718924a808d76 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 C#C[C@H](C)NCF f03102ed4263cb5dbc188dbc384a5e8f [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 C#C[C@H](C)NCO debd11bbb9ca9c2de8c9f91e833e2b10 [0,1,0,0,0,0|2,0,1]=4 17 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,1,0,0,0,0|1,0,1]=3 18 B6R0.1 C#C[C@H](C)OCF 8667845c9da8dd8e24b1d3a8f6a93aa8 [0,1,0,0,0,0|1,0,1]=3 19 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,1,0,0,0,0|2,0,1]=4 20 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,1,0,0,0,0|2,0,1]=4 22 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,1,0,0,0,0|1,0,1]=3 23 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,1,0,0,0,0|1,0,1]=3 25 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,1,0,0,0,0|1,0,1]=3 26 B6R0.1 CC(C#N)NCF b8014a86217c2b8a6f13da005da0a028 [0,1,0,0,0,0|3,0,0]=4 27 B6R0.1 CC(C#N)NCO b7d0900ad4a8bef1fe42d0e02db02103 [0,1,0,0,0,0|3,0,0]=4 28 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,1,0,0,0,0|2,0,0]=3 29 B6R0.1 CC(CF)OCF 32adde0cda0df7ca13f616d81360f718 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.1 CC(CO)NCF ab7f612930dc9a706824818dda371d27 [0,1,0,0,0,0|3,0,0]=4 31 B6R0.1 CC(CO)NCO 220515de56991eed80ebf3de2b03eb11 [0,1,0,0,0,0|3,0,0]=4 32 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [0,1,0,0,0,0|2,0,0]=3 33 B6R0.1 CCC(C)NC#N c755bc17a86225b89fbcb7b323cbfbb8 [0,1,0,0,0,0|2,0,1]=4 34 B6R0.1 CCC(C)NC=O b39ff0b918608a651b17fb1bcfe748b2 [0,1,0,0,0,0|2,0,1]=4 35 B6R0.1 CCC(C)NCF cd789606d14d277b4095dc11d6d1f629 [0,1,0,0,0,0|2,0,0]=3 36 B6R0.1 CCC(C)NCO 2f150bbe96920869e15d5d5aa816b484 [0,1,0,0,0,0|2,0,0]=3 37 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [0,1,0,0,0,0|1,0,0]=2 38 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,1,0,0,0,0|3,0,0]=4 39 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [0,1,0,0,0,0|3,0,0]=4 40 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [0,1,0,0,0,0|3,0,0]=4 41 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [0,1,0,0,0,0|3,0,0]=4 42 B6R0.1 CCN(C)COC 2dba1e0fec030895fe26248c793df52e [0,1,0,0,0,0|2,0,0]=3 43 B6R0.1 CCN(C)CSC 613c63b39ee46a6bdda90b076e70e35a [0,1,0,0,0,0|2,1,0]=4 44 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,1,0,0,0,0|3,0,0]=4 45 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,1,0,0,0,0|2,0,0]=3 46 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,1,0,0,0,0|3,0,0]=4 47 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,1,0,0,0,0|2,0,0]=3 48 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,1,0,0,0,0|3,0,0]=4 49 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,1,0,0,0,0|2,0,0]=3 50 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,1,0,0,0,0|3,0,0]=4 51 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,1,0,0,0,0|2,0,0]=3 52 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,1,0,0,0,0|1,0,0]=2 53 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,1,0,0,0,0|2,0,0]=3 54 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,1,0,0,0,0|1,0,0]=2 56 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,1,0,0,0,0|2,0,0]=3 58 B6R0.1 CC[C@@H](C)NC=O b2daaabeaf297395c554f58ded1a06ac [0,1,0,0,0,0|2,0,1]=4 59 B6R0.1 CC[C@@H](C)NCF 6dbb95a50e3976893bdb1627db012fbb [0,1,0,0,0,0|2,0,0]=3 60 B6R0.1 CC[C@@H](C)NCO ac0974a6f9b0bb6d16f90be7439490a9 [0,1,0,0,0,0|2,0,0]=3 61 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.1 CC[C@H](C)NC=O de5ee03736ab09026768085a3122631f [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 CC[C@H](C)NCF 5d430afc33b47de08bdee5a967987e85 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.1 CC[C@H](C)NCO 3a0d2629be7074b261ab0759e7061769 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [0,1,0,0,0,0|1,0,0]=2 66 B6R0.1 C[C@@H](CO)NCF 2b92b0d94fc310efd060ea85fc1ec030 [0,1,0,0,0,0|3,0,0]=4 67 B6R0.1 C[C@@H](CO)NCO f2447992c21252c0f96361e913fb5f29 [0,1,0,0,0,0|3,0,0]=4 68 B6R0.1 C[C@H](CO)NCF 769b646e43e30d6b70ca628125c680bc [0,1,0,0,0,0|3,0,0]=4 69 B6R0.1 C[C@H](CO)NCO 8d1246dd802e302de647e53829f5ca23 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.3 CCN(C)C(=O)C ad9227383f4996d412a5ced11e9c5417 [0,1,0,0,0,0|3,0,0]=4 72 B6R0.3 CCN(C)C(C)C 515b7690a64e89945d29d623804849df [0,1,0,0,0,0|3,0,0]=4 73 B6R1.6 CCN1CCC1 23b7abd822d5f351048cbd744915c161 [0,0,0,1,0,0|3,0,0]=4 74 B5R0.1 CC(C)NC#N ca654f29c9678ccae3e6761ddb91602e [1,1,0,0,0,0|1,0,1]=4 75 B5R0.1 CC(C)OCF fea4e57e7bb4fa505ef4ea18bd2ede99 [1,1,0,0,0,0|0,0,0]=2 76 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,1,0,0,0,0|0,0,0]=2 77 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,1,0,0,0,0|1,0,1]=4 78 B5R0.2 C#CCOCF 0e978033291daf7dd93639008f4f2560 [1,1,0,0,0,0|1,0,1]=4 79 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,1,0,0,0,0|2,0,0]=4 80 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,1,0,0,0,0|2,0,0]=4 81 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,1,0,0,0,0|2,0,0]=4 82 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,1,0,0,0,0|1,0,0]=3 83 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,1,0,0,0,0|2,0,0]=4 85 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,1,0,0,0,0|2,0,0]=4 86 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,1,0,0,0,0|2,0,0]=4 87 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,1,0,0,0,0|0,0,0]=2 88 B5R0.2 COCNC#N 6538804d39cac1707c9f03c6cddb6366 [1,1,0,0,0,0|1,0,1]=4 89 B5R0.2 COCOCF 8b21adc85de0de107e0e54e13944287c [1,1,0,0,0,0|0,0,0]=2 90 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [1,1,0,0,0,0|2,0,0]=4 91 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [1,1,0,0,0,0|2,0,0]=4 92 B5R0.2 N#CCOCF a376014f96206b9d86fce99546d2dc7b [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 C#CC(C)OC(C)C bd395c473397c0df03907e2995614562 [0,2,0,0,0,0|1,0,1]=4 94 B7R0.2 C#C[C@@H](C)OC(C)C 57b406fc1bff6e055637741c210d864a [0,2,0,0,0,0|1,0,1]=4 95 B7R0.2 C#C[C@H](C)OC(C)C 20fe24039694ac0ddbbae904a1c50c14 [0,2,0,0,0,0|1,0,1]=4 96 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,2,0,0,0,0|1,0,1]=4 98 B7R0.2 CC(C)OC(C)C#N d367aad557142d52591f863ae6f1ec70 [0,2,0,0,0,0|2,0,0]=4 99 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,2,0,0,0,0|2,0,0]=4 100 B7R0.2 CC(C)OC(C)CF 4c1a23ea77490e2b6e1f5f1f7c7a9ead [0,2,0,0,0,0|2,0,0]=4 101 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [0,2,0,0,0,0|2,0,0]=4 102 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,2,0,0,0,0|2,0,0]=4 103 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [0,2,0,0,0,0|2,0,0]=4 104 B7R0.2 CCC(C)NC(=O)C d52a9bb324dcdb60d53e4e9e2013cb50 [0,2,0,0,0,0|2,0,0]=4 105 B7R0.2 CCC(C)NC(C)C 0cb605662148972b343a2865e41d2f95 [0,2,0,0,0,0|2,0,0]=4 106 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [0,2,0,0,0,0|1,0,0]=3 107 B7R0.2 CC[C@@H](C)NC(=O)C c6d5d80303dcfd2ae6eb945ac41b31c0 [0,2,0,0,0,0|2,0,0]=4 108 B7R0.2 CC[C@@H](C)NC(C)C fbd46dfde63f10a9f545bd04d72d3565 [0,2,0,0,0,0|2,0,0]=4 109 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [0,2,0,0,0,0|1,0,0]=3 110 B7R0.2 CC[C@H](C)NC(=O)C 96d2ad332d2a7d6643a2730e644df4f3 [0,2,0,0,0,0|2,0,0]=4 111 B7R0.2 CC[C@H](C)NC(C)C df85b8e0c4ded03d149c43327f4a7c4a [0,2,0,0,0,0|2,0,0]=4 112 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [0,2,0,0,0,0|1,0,0]=3 113 B7R0.3 C#CC(C)NCOC 1d5be434cad6021f3ae75f538f01d843 [0,2,0,0,0,0|1,0,1]=4 114 B7R0.3 C#CC(C)OCC#N 776839989fec014f8570126654f84a26 [0,2,0,0,0,0|1,0,1]=4 115 B7R0.3 C#CC(C)OCC=C 35c2ceb14425d29fdc0391a672c4f5e1 [0,2,0,0,0,0|1,0,1]=4 116 B7R0.3 C#CC(C)OCC=O ba88f9e6c584cf37d447c8f942df3466 [0,2,0,0,0,0|1,0,1]=4 117 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,2,0,0,0,0|1,0,1]=4 118 B7R0.3 C#CC(C)OCCF 7774b00cacd5f01f93b97c582c22aebc [0,2,0,0,0,0|1,0,1]=4 119 B7R0.3 C#CC(C)OCCS 677d2cf41c5776b9322f569b2e20ad78 [0,2,0,0,0,0|1,0,1]=4 120 B7R0.3 C#CC(C)OCOC f493f96c2be9b9205978c019e3195ea7 [0,2,0,0,0,0|1,0,1]=4 121 B7R0.3 C#CC(C)OCSC a9126d93da8afb9e755338e1f2ad5cd7 [0,2,0,0,0,0|1,0,1]=4 122 B7R0.3 C#CCNC(C)CC 1c8cf786a7bf62a91e9eb3f09e0e4cb9 [0,2,0,0,0,0|2,0,0]=4 123 B7R0.3 C#CCN[C@@H](C)CC 48b5b4e4c3419c4d390c7be2cfb833e7 [0,2,0,0,0,0|2,0,0]=4 124 B7R0.3 C#CCN[C@H](C)CC 301aa888349cf4ee28848f6c9d611572 [0,2,0,0,0,0|2,0,0]=4 125 B7R0.3 C#CCOC(C)C#C ac46d7c9626cea6292eaf25d65145422 [0,2,0,0,0,0|1,0,1]=4 126 B7R0.3 C#CCOC(C)C#N 7d48702f1e3c791c4efee90ca7065e57 [0,2,0,0,0,0|2,0,0]=4 127 B7R0.3 C#CCOC(C)C=C e6ff6e85d796cdae2d545ee222db4a28 [0,2,0,0,0,0|1,0,1]=4 128 B7R0.3 C#CCOC(C)C=O 5e078bffbbf24660e1e42ec455de06b7 [0,2,0,0,0,0|2,0,0]=4 129 B7R0.3 C#CCOC(C)CC 59388fb49cbbdba7f912f977834cecae [0,2,0,0,0,0|1,0,0]=3 130 B7R0.3 C#CCOC(C)CF 221cd713b73297c7e5f97bde204915de [0,2,0,0,0,0|2,0,0]=4 131 B7R0.3 C#CCOC(C)CS 7e7645935526fd9fe5b548e99a949915 [0,2,0,0,0,0|2,0,0]=4 132 B7R0.3 C#CCO[C@@H](C)C#C 54d49d2704402a5e30c36d9bfbcabc3c [0,2,0,0,0,0|1,0,1]=4 133 B7R0.3 C#CCO[C@@H](C)C=C 48a89e2f373160fd6c17148e75feea17 [0,2,0,0,0,0|1,0,1]=4 134 B7R0.3 C#CCO[C@@H](C)CC 0638932b66273b5968485ec5247ca338 [0,2,0,0,0,0|1,0,0]=3 135 B7R0.3 C#CCO[C@H](C)C#C d94ed9147dcbb5973eda13aaaa78e8e6 [0,2,0,0,0,0|1,0,1]=4 136 B7R0.3 C#CCO[C@H](C)C=O 3dffa8d1b413bae459ea6e9776898d1a [0,2,0,0,0,0|2,0,0]=4 137 B7R0.3 C#CCO[C@H](C)CC 846e054615825e240b725005682063ae [0,2,0,0,0,0|1,0,0]=3 138 B7R0.3 C#CCO[C@H](C)CS ab6f4be9fefb8635e941439c0052c852 [0,2,0,0,0,0|2,0,0]=4 139 B7R0.3 C#C[C@@H](C)NCOC 2ba0e1451bb24cea5ca970d61b987735 [0,2,0,0,0,0|1,0,1]=4 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B7R0.3 CC(C=O)OCC#N 63783513853e77240eef1d91c3d59345 [0,2,0,0,0,0|2,0,0]=4 190 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [0,2,0,0,0,0|2,0,0]=4 191 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,2,0,0,0,0|2,0,0]=4 192 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,2,0,0,0,0|2,0,0]=4 193 B7R0.3 CC(CF)OCC#N 6cc0a505593a119a3106139b239e6163 [0,2,0,0,0,0|2,0,0]=4 194 B7R0.3 CC(CF)OCC=O 41897813684ca2355d787ae430508b45 [0,2,0,0,0,0|2,0,0]=4 195 B7R0.3 CC(CF)OCCF 61970d4a8d2156da592b0c1d02226f38 [0,2,0,0,0,0|2,0,0]=4 196 B7R0.3 CC(CF)OCCS 1b0e427f947de38ae03c6161eb7f3753 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.3 CC(CS)OCC#N 676888cdcec921bfd46a956f5c3d5131 [0,2,0,0,0,0|2,0,0]=4 198 B7R0.3 CC(CS)OCC=O 4070359928b4f2d4ef682a3d0e169b5c [0,2,0,0,0,0|2,0,0]=4 199 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [0,2,0,0,0,0|2,0,0]=4 200 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.3 CCC(C)CNCF b50ea40d2446dde4a785720e8c9ab76e [0,2,0,0,0,0|2,0,0]=4 202 B7R0.3 CCC(C)CNCO a95514de2db5be0c68571e33ca613f6e [0,2,0,0,0,0|2,0,0]=4 203 B7R0.3 CCC(C)COCF d83d0a95392ef09a2490e51164140783 [0,2,0,0,0,0|1,0,0]=3 204 B7R0.3 CCC(C)NCC#N 9dccc3b7b0f5034900215eb41b1410b6 [0,2,0,0,0,0|2,0,0]=4 205 B7R0.3 CCC(C)NCC=O e7aeaed45b54a2e3fad4afa638418830 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.3 CCC(C)NCCBr a824f3363a2868a7206559546a3484f0 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.3 CCC(C)NCCF 2a8d3394dec4d41ce38c860bf4ab17dd [0,2,0,0,0,0|2,0,0]=4 208 B7R0.3 CCC(C)NCCI 6c2db2487fbf25506eed8cabe391bbb0 [0,2,0,0,0,0|2,0,0]=4 209 B7R0.3 CCC(C)NCCO 513c7a6bd13dc3bbf026a87954b89604 [0,2,0,0,0,0|2,0,0]=4 210 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [0,2,0,0,0,0|2,0,0]=4 211 B7R0.3 CCC(C)NCOC 7706fa764743624f662862fda01b7a28 [0,2,0,0,0,0|1,0,0]=3 212 B7R0.3 CCC(C)NCSC c04eb7da5ed0a2a03e68485c2016666a [0,2,0,0,0,0|1,1,0]=4 213 B7R0.3 CCC(C)OCC#N 50ba24c28a608cb499d346735f93665e [0,2,0,0,0,0|1,0,0]=3 214 B7R0.3 CCC(C)OCC=O 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[0,2,0,0,0,0|2,0,0]=4 337 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,2,0,0,0,0|2,0,0]=4 338 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [0,2,0,0,0,0|1,0,0]=3 339 B7R0.5 COCN(C)C(C)C 56238f6328cf364463db0f0876210615 [0,2,0,0,0,0|2,0,0]=4 340 B7R0.5 C[C@@H](OCF)C(=O)N a8a242c6e5e7f1df942e8a00c665aaa2 [0,2,0,0,0,0|2,0,0]=4 341 B7R0.5 C[C@@H](OCF)C(=O)O eca3562769119aefebca30b8cb46ef3d [0,2,0,0,0,0|2,0,0]=4 342 B7R0.5 C[C@H](OCF)C(=O)N cc20e1724629715f568aafa6de2ccb26 [0,2,0,0,0,0|2,0,0]=4 343 B7R0.5 C[C@H](OCF)C(=O)O 3b1dcb29a34b79a18541896ae618cad0 [0,2,0,0,0,0|2,0,0]=4 344 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,2,0,0,0,0|1,0,1]=4 345 B7R0.7 C#CCC(C)OCF 16061fafa3f4241ec92e731e35fafd1d [0,2,0,0,0,0|1,0,1]=4 346 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,2,0,0,0,0|1,0,0]=3 347 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [0,2,0,0,0,0|1,0,0]=3 348 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,2,0,0,0,0|1,0,1]=4 349 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,2,0,0,0,0|1,0,1]=4 350 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,2,0,0,0,0|1,0,1]=4 353 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,2,0,0,0,0|1,0,1]=4 354 B7R0.7 CC#CC(C)OCC 7d169bd73109df0adecd56f315bb5686 [0,2,0,0,0,0|1,0,0]=3 355 B7R0.7 CC#CC(C)OCF 120399d6c9f7a5f34dd4ff1f36895efd [0,2,0,0,0,0|1,0,0]=3 356 B7R0.7 CC(CC#N)OCF 0972addb855c14f5b1b9ae512dd7d335 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.7 CC(CCO)NCF e6f0c96e8564a4ffab447e5924afc7ff [0,2,0,0,0,0|2,0,0]=4 358 B7R0.7 CC(CCO)NCO dcf0cce30bbba94ae1bdb2661837885d [0,2,0,0,0,0|2,0,0]=4 359 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [0,2,0,0,0,0|1,0,0]=3 361 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,2,0,0,0,0|2,0,0]=4 362 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,2,0,0,0,0|2,0,0]=4 363 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,2,0,0,0,0|2,0,0]=4 364 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,2,0,0,0,0|1,0,0]=3 366 B7R0.7 CCCN(C)COC 1bec3c8fb3df3a096c65e4d1b6c5e3f1 [0,2,0,0,0,0|2,0,0]=4 367 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,2,0,0,0,0|1,0,0]=3 368 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,2,0,0,0,0|2,0,0]=4 370 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,2,0,0,0,0|2,0,0]=4 371 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,2,0,0,0,0|2,0,0]=4 372 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,2,0,0,0,0|2,0,0]=4 375 B7R0.7 CCNC(C)COC af3d09b9c16b18b44031a6b489b2fd56 [0,2,0,0,0,0|1,0,0]=3 376 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,2,0,0,0,0|2,0,0]=4 377 B7R0.7 CCN[C@@H](C)COC 3587673ce83b198299c531f233570bde [0,2,0,0,0,0|1,0,0]=3 378 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,2,0,0,0,0|2,0,0]=4 379 B7R0.7 CCN[C@H](C)COC 769259f23e0c7be858a9664721e9e588 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,2,0,0,0,0|1,0,1]=4 381 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,2,0,0,0,0|0,0,0]=2 382 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,2,0,0,0,0|0,1,0]=3 383 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,2,0,0,0,0|1,0,1]=4 384 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,2,0,0,0,0|0,0,0]=2 385 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,2,0,0,0,0|1,0,1]=4 386 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,2,0,0,0,0|0,0,0]=2 387 B7R0.7 COCC(C)NC#N 871d3e288a7c4756795571eac781bef6 [0,2,0,0,0,0|1,0,1]=4 388 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,2,0,0,0,0|1,0,1]=4 389 B7R0.7 COCC(C)NCF 37ce3660c3b090e9f9edd5124bcdcd9a [0,2,0,0,0,0|1,0,0]=3 390 B7R0.7 COCC(C)NCO 6c5d5187b65d28bd76ca5cd109efad49 [0,2,0,0,0,0|1,0,0]=3 391 B7R0.7 COCC(C)OCF ba759e057fe1b6bc36072f0ed66c672a [0,2,0,0,0,0|0,0,0]=2 392 B7R0.7 COCN(C)CCF 462c4168e49a87fc94c059780d3b18c2 [0,2,0,0,0,0|2,0,0]=4 393 B7R0.7 COCN(C)CCO 5aba17f9d68b8c1f364bdcdaa93aa01e [0,2,0,0,0,0|2,0,0]=4 394 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,2,0,0,0,0|1,0,1]=4 395 B7R0.7 COC[C@@H](C)NCF a6548424f9201b13ac58df133eb2a24a [0,2,0,0,0,0|1,0,0]=3 396 B7R0.7 COC[C@@H](C)NCO 5b123b6ebd0e85051da558c3ea88e6ed [0,2,0,0,0,0|1,0,0]=3 397 B7R0.7 COC[C@@H](C)OCF 8f42f68524f58334b9b291fd96846ba2 [0,2,0,0,0,0|0,0,0]=2 398 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,2,0,0,0,0|1,0,1]=4 399 B7R0.7 COC[C@H](C)NCF 7304476e002e28def6ba549158f64fb0 [0,2,0,0,0,0|1,0,0]=3 400 B7R0.7 COC[C@H](C)NCO d58653f64afc5f3d3534e35a74eeeaa8 [0,2,0,0,0,0|1,0,0]=3 401 B7R0.7 COC[C@H](C)OCF a6a8493c8eb55af12b084ba1e2d842c6 [0,2,0,0,0,0|0,0,0]=2 402 B7R0.7 CSCC(C)OCF 689a149956402544a2d3e6be9443efc2 [0,2,0,0,0,0|0,1,0]=3 403 B7R0.7 C[C@@H](CC#N)OCF 69332a263c9d59474fcf15322740989a [0,2,0,0,0,0|1,0,1]=4 404 B7R0.7 C[C@@H](CCO)NCF 35f1d2cdbf2c5b52cb9e37f48197b555 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.7 C[C@@H](CCO)NCO d1bf1253e6c406f96778567e6d5de8e7 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.7 C[C@H](CC#N)OCF 9dbd768d6224ac240ada1a649aeb97a3 [0,2,0,0,0,0|1,0,1]=4 407 B7R0.7 C[C@H](CCO)NCF dcb503816f0fded4b6581421c9c4b10d [0,2,0,0,0,0|2,0,0]=4 408 B7R0.7 C[C@H](CCO)NCO ccd004333d3de23c28e090d6ff4977aa [0,2,0,0,0,0|2,0,0]=4 409 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,2,0,0,0,0|2,0,0]=4 410 B7R0.10 CCC(C)N(C)CC 7f98f3cb5d001a509589f6f457ffe6ca [0,2,0,0,0,0|2,0,0]=4 411 B7R0.10 CCC(C)N(C)CF d256e2823039dc8016c48630c6e9d811 [0,2,0,0,0,0|2,0,0]=4 412 B7R0.10 CCC(C)N(C)CO 1b36e6675b647f3c2b421b00c5b597a7 [0,2,0,0,0,0|2,0,0]=4 413 B7R0.11 CCC(C)(C)NCF 43464e32d81406c57eda8518b346c632 [0,2,0,0,0,0|2,0,0]=4 414 B7R0.11 CCC(C)(C)NCO 5370363c3b1f98f0757110805d0db933 [0,2,0,0,0,0|2,0,0]=4 415 B7R0.11 CCNC(C)(C)CC adae57986ab49a20b402c3b11b898ff8 [0,2,0,0,0,0|2,0,0]=4 416 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [0,2,0,0,0,0|1,0,1]=4 417 B7R0.12 C#CC(CC)OCF 8bef453312f7ac6f09d4b91d036d83cb [0,2,0,0,0,0|1,0,1]=4 418 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,2,0,0,0,0|1,0,1]=4 419 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,2,0,0,0,0|1,0,1]=4 420 B7R0.12 CCC(C#N)OCF c9ae646c0f0951391fec3ccfa891e7b4 [0,2,0,0,0,0|1,0,1]=4 421 B7R0.12 CCC(CC)NCF 3d9bfd0de6efff0c7eb71abdfe1f3338 [0,2,0,0,0,0|2,0,0]=4 422 B7R0.12 CCC(CC)NCO 63242e3a6c349fa4dc8099f989675ea6 [0,2,0,0,0,0|2,0,0]=4 423 B7R0.12 CCC(CC)OCF 636355b0b109acffc3ac81270024a401 [0,2,0,0,0,0|1,0,0]=3 424 B7R0.12 CCC(CO)NCF 78a0b6c825ca62e5f537e0313224ae30 [0,2,0,0,0,0|2,0,0]=4 425 B7R0.12 CCC(CO)NCO 3c794c1fdc16d6ba628977ba610b2f38 [0,2,0,0,0,0|2,0,0]=4 426 B7R0.12 CCNC(CC)CC dd1a7011b4f855f8c1ad87e5ad908f9a [0,2,0,0,0,0|2,0,0]=4 427 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,2,0,0,0,0|2,0,0]=4 428 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,2,0,0,0,0|2,0,0]=4 429 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,2,0,0,0,0|2,0,0]=4 430 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [0,2,0,0,0,0|1,0,1]=4 431 B7R0.12 CCOC(CBr)CBr d03e7afda2ca8d59d0335adb3716d943 [0,2,0,0,0,0|2,0,0]=4 432 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [0,2,0,0,0,0|1,0,0]=3 433 B7R0.12 CCOC(CCl)CBr 76ba5a657a7ea572d523f589d344dc39 [0,2,0,0,0,0|2,0,0]=4 434 B7R0.12 CCOC(CCl)CCl ce294a182f4713785d493074caf459e2 [0,2,0,0,0,0|2,0,0]=4 435 B7R0.12 CCOC(CF)CF ce94a3a5b0a102e0773db6b18934a605 [0,2,0,0,0,0|2,0,0]=4 436 B7R0.12 CCO[C@@H](CCl)CI 960e9d223c1c4a6537b1692e0aa03922 [0,2,0,0,0,0|2,0,0]=4 437 B7R0.12 CCO[C@H](CCl)CI eaef576ad3d7bec19924ce3c27aa4ce5 [0,2,0,0,0,0|2,0,0]=4 438 B7R0.12 CC[C@@H](CO)NCF 839ec889c8fe0848d31935b9dbdfcd38 [0,2,0,0,0,0|2,0,0]=4 439 B7R0.12 CC[C@@H](CO)NCO c3ea7a2fb8cac1d4f9b9352f27d46e24 [0,2,0,0,0,0|2,0,0]=4 440 B7R0.12 CC[C@H](CO)NCF f04a8d368ea68193b9688c8e4f4f4f35 [0,2,0,0,0,0|2,0,0]=4 441 B7R0.12 CC[C@H](CO)NCO 31d6dbcb1b8a1065d54c94ad93fd2f0d [0,2,0,0,0,0|2,0,0]=4 442 B7R0.12 FCOC(CBr)CBr 760611b5804515a02db886829643f317 [0,2,0,0,0,0|2,0,0]=4 443 B7R0.12 FCOC(CCl)CBr 72519e805199b04a3a2f9222669bc455 [0,2,0,0,0,0|2,0,0]=4 444 B7R0.12 FCOC(CCl)CCl 118ddee96acf874a0a1fb0d0ff930d02 [0,2,0,0,0,0|2,0,0]=4 445 B7R0.12 FCOC(CF)CF 705408821521684268dfce4a5f529fde [0,2,0,0,0,0|2,0,0]=4 446 B7R0.12 FCO[C@@H](CCl)CI 311aefa9fd8da5acbb1bd157cd237075 [0,2,0,0,0,0|2,0,0]=4 447 B7R0.12 FCO[C@H](CCl)CI cd5a66f48a11f01a3a244c8c713b4bbc [0,2,0,0,0,0|2,0,0]=4 448 B7R1.5 CC1CC1NCF a80d6604729f7f2bce9bccef0f1b4434 [0,1,0,1,0,0|2,0,0]=4 449 B7R1.5 CC1CC1NCO d401c45702bc5f310a419d102b35b78c [0,1,0,1,0,0|2,0,0]=4 450 B7R1.5 CCNC1CC1C f508b0aca7d0eee090ca628f208f8e9f [0,1,0,1,0,0|2,0,0]=4 451 B7R1.6 CCNC1CCC1 70dad6b0302b94a460da5136f772c3a8 [0,1,0,1,0,0|2,0,0]=4 452 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [0,1,0,1,0,0|1,0,0]=3 453 B7R1.6 CCOC1COC1 5ee51175a5d1fbea3fd7b3b34e98d1ce [0,1,0,1,0,0|2,0,0]=4 454 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [0,1,0,1,0,0|2,0,0]=4 455 B7R1.6 COCN1CCC1 fdad72c8566c59cd906eeb990103d9b4 [0,1,0,1,0,0|2,0,0]=4 456 B7R1.6 FCNC1CCC1 0b3b99e19517ff72296b77b01d86ca54 [0,1,0,1,0,0|2,0,0]=4 457 B7R1.6 FCOC1CCC1 9e1f264b6931548d5472d7bf95e89d96 [0,1,0,1,0,0|1,0,0]=3 458 B7R1.6 FCOC1COC1 34c857acb95e7e5066efa9e8f851b6c5 [0,1,0,1,0,0|2,0,0]=4 459 B7R1.6 FCOC1CSC1 c3629ce88eeefd302ac1510ed7a5efdb [0,1,0,1,0,0|2,0,0]=4 460 B7R1.6 OCNC1CCC1 8514f35646cacb22efc5d7fadc2f3b2f [0,1,0,1,0,0|2,0,0]=4 461 B7R1.21 CC1(CC1)NCF ca95094546b9f047a7e9abc6602efda5 [0,1,0,1,0,0|2,0,0]=4 462 B7R1.21 CC1(CC1)NCO 531fb08d002be0f82ba9f2a9eeb36d37 [0,1,0,1,0,0|2,0,0]=4 463 B7R1.21 CCNC1(CC1)C 49ee171fcc771c5e16d08c11c421eefd [0,1,0,1,0,0|2,0,0]=4