0 B6R0.1 C#CC(C)NCC 85cc62c068fe8347941753880600425b [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 C#CC(C)OCC 788c44cbb46959d6943b8cac1e896fa7 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 C#C[C@@H](C)NCC 500769c3a32c8a4fe4bacf70b2bb6f30 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C#C[C@@H](C)OCC c7465ab1da07bbdf42877ee57642c1cd [0,0,0,0,0,0|2,0,2]=4 4 B6R0.1 C#C[C@H](C)NCC 996961b9a4ddcbb2cfb9dcd81ac9d63f [0,0,0,0,0,0|2,0,2]=4 5 B6R0.1 C#C[C@H](C)OCC e1b8dec53e104261dd95078ad7e6d539 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 C=CC(C)NC#N 2a7109b4baa8d6cba377db19db0fc72f [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,0,0,0,0,0|2,0,0]=2 10 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,0,0,0,0,0|3,0,0]=3 12 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,0,0,0,0,0|2,0,0]=2 13 B6R0.1 C=CC(C)OCF 703d6773683044b537087d8c1dd5b1e2 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,0,0,0,0,0|2,0,0]=2 15 B6R0.1 C=C[C@H](C)OCF c364441950765d3e5b6d38d7dfe0e6ea [0,0,0,0,0,0|3,0,0]=3 16 B6R0.1 CC(C=O)OCF 65789c25ac421199f1e20366eb603500 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.1 CCCN(C)C=O f55d615150194d8a2881f113e75957ad [0,0,0,0,0,0|3,0,0]=3 18 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [0,0,0,0,0,0|2,0,2]=4 19 B6R0.1 CCCN(C)CF 5c995bfd39cfefd185b6001ca8e730f3 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.1 CCCN(C)CO fa8c399923bf908abe4d1198e252c43d [0,0,0,0,0,0|3,0,1]=4 21 B6R0.1 CCNC(C)C#N c11bb97931a96bb8667e2c19bb27e47b [0,0,0,0,0,0|3,0,1]=4 22 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.1 CCNC(C)CO 31c32677d35319c7bce72f49aa59533d [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [0,0,0,0,0,0|2,0,2]=4 25 B6R0.1 CCN[C@@H](C)CO 1b5cec79590e2129f58d3514073a1390 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.1 CCN[C@H](C)CO 4334eb4497c625ddabbfceeac7d82066 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.1 CCOC(C)C=O 4021b7076259f80e1751543881198165 [0,0,0,0,0,0|3,0,0]=3 29 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [0,0,0,0,0,0|2,0,2]=4 30 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [0,0,0,0,0,0|3,0,1]=4 31 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [0,0,0,0,0,0|3,0,1]=4 32 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [0,0,0,0,0,0|2,0,2]=4 33 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [0,0,0,0,0,0|3,0,1]=4 35 B6R0.1 CN(C=O)CCF 566a91d7f905563b8be9527ff042caf1 [0,0,0,0,0,0|4,0,0]=4 36 B6R0.1 CN(C=O)CCO dd7ac64299075a3391875b374e6c88cd [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 C#CCNCC b7f456a7c0046d69162917c7df90472c [1,0,0,0,0,0|1,0,2]=4 39 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 C=CCNC#N e8c6da75dd11dcee984b80ea6a85e924 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 CCCNC#N e55413a0eea711c89a0029efe46eb0b1 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 CCCNC=O 394eea314e4a7e284e23571b2081e74b [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [1,0,0,0,0,0|1,0,2]=4 44 B5R0.2 CCCNCF 5221ca3b6142d54e68ddcdccc04ade24 [1,0,0,0,0,0|2,0,1]=4 45 B5R0.2 CCCNCO d60b753d66bdce688dd2adf0f18abf34 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [1,0,0,0,0,0|1,0,2]=4 47 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [1,0,0,0,0,0|2,0,1]=4 48 B5R0.2 CCNCC#N 8afea2f1bf8bfbfa2907ffe05f260d21 [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [1,0,0,0,0,0|2,0,1]=4 57 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 O=CNCCBr 7c28f652da8d817ffdc4b1e301878e6d [1,0,0,0,0,0|3,0,0]=4 59 B5R0.2 O=CNCCF cc6ab20072548fa955497a25033be1e2 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.2 O=CNCCI 782f0f8ecb3f6f21bf51449dd497a309 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.2 O=CNCCO 0b79256f67d9aeba37165bf9fc8ffac5 [1,0,0,0,0,0|3,0,0]=4 62 B5R0.2 O=CNCCS 22fad8cac4457d75d73ab95d2ca38298 [1,0,0,0,0,0|3,0,0]=4 63 B5R0.3 CCN(C)C=O 60ddb02da2ac3e0bbf46f02c328ae40d [1,0,0,0,0,0|3,0,0]=4 64 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,1,0,0,0,0|2,0,1]=4 65 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.2 C=CC(C)OC(C)C 532c4624b978961a1c4eda7e3050b228 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.2 C=C[C@H](C)OC(C)C 0e0bab0a84cd6e94202f911cf430b03e [0,1,0,0,0,0|2,0,0]=3 68 B7R0.2 CC(C)CN(C)C=O b4351ddc68e0590149228e0a5cd05648 [0,1,0,0,0,0|3,0,0]=4 69 B7R0.2 CC(C)OC(C)C=O 46dcc605c08f0d0f96a7a481f23b4bf0 [0,1,0,0,0,0|3,0,0]=4 70 B7R0.2 CC(C)O[C@H](C)C=O 3f46dec97b43d031419f8bec573ffcd6 [0,1,0,0,0,0|3,0,0]=4 71 B7R0.2 CC(O)CN(C)C=O 327f1a278ffacbbe3e88f0ce0c9edbdc [0,1,0,0,0,0|3,0,0]=4 72 B7R0.2 C[C@H](O)CN(C)C=O 25d41e47dcdadeb17ce6f98cdd60ebbc [0,1,0,0,0,0|3,0,0]=4 73 B7R0.3 C#CC(C)NCCC 0f597b1bca0c5618e6a85d1db7ea6731 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.3 C#CC(C)OCCC c2d572d3a7d4f8e4badc3f3253860e31 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.3 C#CCNC(C)C=C d8b354c113299f6016f99071889ca40d [0,1,0,0,0,0|1,0,2]=4 76 B7R0.3 C#CCOC(C)C=C e6ff6e85d796cdae2d545ee222db4a28 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.3 C#CCO[C@@H](C)C=C 48a89e2f373160fd6c17148e75feea17 [0,1,0,0,0,0|1,0,2]=4 78 B7R0.3 C#C[C@@H](C)NCCC 27ba225c67029d8236c87fc6721fad3a [0,1,0,0,0,0|1,0,2]=4 79 B7R0.3 C#C[C@@H](C)OCCC a39fbb6b92cf783620dba7ac3eacba0f [0,1,0,0,0,0|1,0,2]=4 80 B7R0.3 C#C[C@H](C)NCCC 870e3ac73d57aa9963af4d33ccaf86fd [0,1,0,0,0,0|1,0,2]=4 81 B7R0.3 C#C[C@H](C)OCCC 8d5793d1e4a3c963bf10c09c5da5ac91 [0,1,0,0,0,0|1,0,2]=4 82 B7R0.3 C=C(C=O)OCCC 04efcca188a8b47a61c5130fe82b341f [0,1,0,0,0,0|2,0,1]=4 83 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,0,0,0,0|0,0,2]=3 85 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,1,0,0,0,0|1,0,2]=4 86 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,1,0,0,0,0|1,0,2]=4 87 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,1,0,0,0,0|1,0,2]=4 89 B7R0.3 C=CC(C)COCC de472e64667dabd8a37119adef312e1a [0,1,0,0,0,0|1,0,0]=2 90 B7R0.3 C=CC(C)COCF 94166e7d56c97db7f73328a301d86af6 [0,1,0,0,0,0|2,0,0]=3 91 B7R0.3 C=CC(C)NCC#N 1b5b3f0a2e623d05694422618a44cc9e [0,1,0,0,0,0|2,0,1]=4 92 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,1,0,0,0,0|2,0,0]=3 94 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,1,0,0,0,0|2,0,0]=3 100 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.3 C=CC(C)OCC#N 87e0eff24f93b5f1a0aea138d5825835 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [0,1,0,0,0,0|2,0,1]=4 103 B7R0.3 C=CC(C)OCCC 8464afc7aadbd92a9fa5abdf7f0413c4 [0,1,0,0,0,0|1,0,0]=2 104 B7R0.3 C=CC(C)OCCF c4042df7cc19bde943cbddaef845e060 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.3 C=CC(C)OCCS 678429951381d6b0018777cbf0867dfc [0,1,0,0,0,0|2,0,0]=3 106 B7R0.3 C=CC(C)OCOC 7dfff84d56617c217e04946b11681e6b [0,1,0,0,0,0|2,0,0]=3 107 B7R0.3 C=CC(C)OCSC 359f7f1d84b7f76c37b0f03448dae423 [0,1,0,0,0,0|2,0,0]=3 108 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [0,1,0,0,0,0|1,0,1]=3 109 B7R0.3 C=CC(O)CNCC 6606560bfc6ac678a6e77f699b5ea9b4 [0,1,0,0,0,0|0,0,0]=1 110 B7R0.3 C=CC(O)CNCF 45fea0cdfc9533f811af25c5a7464b1f [0,1,0,0,0,0|1,0,0]=2 111 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [0,1,0,0,0,0|1,0,0]=2 112 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [0,1,0,0,0,0|1,0,2]=4 113 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [0,1,0,0,0,0|1,0,2]=4 114 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [0,1,0,0,0,0|1,0,2]=4 115 B7R0.3 C=C[C@H](C)OCC#N 87ed494e61b6a628355bc93049d8b261 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [0,1,0,0,0,0|2,0,1]=4 117 B7R0.3 C=C[C@H](C)OCCC a65433c10fca3bf1d0678a7bf1f757da [0,1,0,0,0,0|1,0,0]=2 118 B7R0.3 C=C[C@H](C)OCCF 7f042cd75a5ba0def48be8560ce23a60 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.3 C=C[C@H](C)OCCS db8d09200d0a97bd0c688972016cc7f4 [0,1,0,0,0,0|2,0,0]=3 120 B7R0.3 C=C[C@H](C)OCOC 7f6d09d69f15e79837c2da39f85862eb [0,1,0,0,0,0|2,0,0]=3 121 B7R0.3 C=C[C@H](C)OCSC 542e0c94386f5c75ff061222cd69cc9b [0,1,0,0,0,0|2,0,0]=3 122 B7R0.3 CC(C=O)NCCBr e62dcd68debd83fbc562e7642602b43a [0,1,0,0,0,0|3,0,0]=4 123 B7R0.3 CC(C=O)NCCF 3f043d9316d202555af83ac46b0372cc [0,1,0,0,0,0|3,0,0]=4 124 B7R0.3 CC(C=O)NCCI 0d60b9f4140097c5e41c90179bcb853b [0,1,0,0,0,0|3,0,0]=4 125 B7R0.3 CC(C=O)NCCO 96981c8499c542f7fb2722dd0795dded [0,1,0,0,0,0|3,0,0]=4 126 B7R0.3 CC(C=O)NCCS 2cf826365eb6ff97374090530c3ccaf5 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.3 CC(C=O)OCCF 9676f45a56098fb26857cb4b8fa0bcb0 [0,1,0,0,0,0|3,0,0]=4 128 B7R0.3 CC(C=O)OCCS 707059ad8fea5768d8b6a96e20ccb88c [0,1,0,0,0,0|3,0,0]=4 129 B7R0.3 CCC(O)CNCF 7b1de8624516487080ebd1a2aadc352e [0,1,0,0,0,0|1,0,2]=4 130 B7R0.3 CCC(O)CNCO 979e1feff1eac75f1747d85e3216f621 [0,1,0,0,0,0|1,0,2]=4 131 B7R0.3 CCCCN(C)C=O 9e1fd6b74517af7f400dd8faea413d3e [0,1,0,0,0,0|3,0,0]=4 132 B7R0.3 CCCNC(=O)C=O d7ca29ecc0d8770667a3b66f38c8ad0e [0,1,0,0,0,0|1,0,2]=4 133 B7R0.3 CCCNC(C)C#N e68d5a808283376392b45cfe49aa2551 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.3 CCCNC(C)C=O 7e933d948c2e669e598ddc3c695365b5 [0,1,0,0,0,0|2,0,0]=3 135 B7R0.3 CCCNC(C)CC 943eb030d61b8e5bd9a7ef7a782a9e18 [0,1,0,0,0,0|1,0,2]=4 136 B7R0.3 CCCNC(C)CO ef58a4cf57fdde87a0f1c08020c4e142 [0,1,0,0,0,0|2,0,1]=4 137 B7R0.3 CCCN[C@@H](C)CC 9b5d6f86dd01bda6e2759939f83bc7a8 [0,1,0,0,0,0|1,0,2]=4 138 B7R0.3 CCCN[C@@H](C)CO 9717e8befa87e4e1275959dce684e068 [0,1,0,0,0,0|2,0,1]=4 139 B7R0.3 CCCN[C@H](C)C=O 7a63958ebc59429c5dcc5f06d2683ced [0,1,0,0,0,0|2,0,0]=3 140 B7R0.3 CCCN[C@H](C)CC 1516fdad8637f0b3c763f64cc7a7beb7 [0,1,0,0,0,0|1,0,2]=4 141 B7R0.3 CCCN[C@H](C)CO 7bbdc293a56e3b9e5394e782c67eaddd [0,1,0,0,0,0|2,0,1]=4 142 B7R0.3 CCCOC(C)C#N 3bbed55fa64cdbf50db9e06b38c864a7 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.3 CCCOC(C)C=O 64f7abc1e62101b123e23f4c74164a7e [0,1,0,0,0,0|2,0,0]=3 144 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [0,1,0,0,0,0|1,0,2]=4 145 B7R0.3 CCCOC(C)CF 9754423e03bd9c1680aa4f64130d3218 [0,1,0,0,0,0|2,0,1]=4 146 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [0,1,0,0,0,0|2,0,1]=4 147 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [0,1,0,0,0,0|1,0,2]=4 148 B7R0.3 CCCO[C@H](C)C=O 08508c09bba0136bf81083f7b07956d8 [0,1,0,0,0,0|2,0,0]=3 149 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [0,1,0,0,0,0|1,0,2]=4 150 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [0,1,0,0,0,0|2,0,1]=4 151 B7R0.3 CCNCC(Br)CBr d36ffe1e96eb7cbab2cfb7f783eab3ca [0,1,0,0,0,0|2,0,1]=4 152 B7R0.3 CCNCC(C)C#N 1b59514d6c984e33a792bbce41493380 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.3 CCNCC(C)CC 1a6ded6349edd095188d6a9fb8900c29 [0,1,0,0,0,0|1,0,2]=4 154 B7R0.3 CCNCC(C)CO ded6e5c82cb05dc8e16cf8630e1ca3b5 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.3 CCNCC(F)CO 117f22342a13aa75ee6537d043ca9a79 [0,1,0,0,0,0|2,0,1]=4 156 B7R0.3 CCNCC(O)CC dc31e5e4e5da5852b809f33f35b18fd2 [0,1,0,0,0,0|0,0,2]=3 157 B7R0.3 CCNCC(O)CO 912f6e9829a436a31980d4e7e51ccc17 [0,1,0,0,0,0|1,0,1]=3 158 B7R0.3 CCNC[C@@H](C)CC 79edf92db75b8292301b7cbe642600de [0,1,0,0,0,0|1,0,2]=4 159 B7R0.3 CCNC[C@@H](C)OC 6e88fe4f7175c837d5238f2168d0e9a3 [0,1,0,0,0,0|2,0,1]=4 160 B7R0.3 CCNC[C@@H](F)CO 67c2661f5a7f3a3662b0ed433a86c18e [0,1,0,0,0,0|2,0,1]=4 161 B7R0.3 CCNC[C@@H](O)CO 3dd3012db0550f06ef7a0ae24c6afc49 [0,1,0,0,0,0|1,0,1]=3 162 B7R0.3 CCNC[C@H](C)CO ef051a7bca96170e9f6bad04a99231e7 [0,1,0,0,0,0|2,0,1]=4 163 B7R0.3 CCNC[C@H](C)OC 0584eeded494335d50fae9461e407d42 [0,1,0,0,0,0|2,0,1]=4 164 B7R0.3 CCNC[C@H](F)CO f2842022ba0aab28ac2537444b2b8a9e [0,1,0,0,0,0|2,0,1]=4 165 B7R0.3 CCNC[C@H](O)CC b4686830d8510fcc2b704c38b72f0503 [0,1,0,0,0,0|0,0,2]=3 166 B7R0.3 CCNC[C@H](O)CO f2bf6c02d84b0a754d29868d7e541576 [0,1,0,0,0,0|1,0,1]=3 167 B7R0.3 CCOC/C(=C/I)/C 92df24ec990a3895db2ac49e1b5a7038 [0,1,0,0,0,0|2,0,1]=4 168 B7R0.3 CCOCC(=CI)C fb53346fffa55ab558f152fe4ff2ec43 [0,1,0,0,0,0|2,0,1]=4 169 B7R0.3 CCOCC(Br)CBr 899bba2d1c5835949acb4e9662ed4011 [0,1,0,0,0,0|2,0,1]=4 170 B7R0.3 CCOCC(C)C#N fb9ba785541d03acabb35183d7927e09 [0,1,0,0,0,0|2,0,1]=4 171 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [0,1,0,0,0,0|1,0,2]=4 172 B7R0.3 CCOCC(C)OC 00214de46f1604d32f121bd91c115789 [0,1,0,0,0,0|2,0,1]=4 173 B7R0.3 CCOCC(Cl)CCl 72c4c6886b79925133380a5669de62f5 [0,1,0,0,0,0|2,0,1]=4 174 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [0,1,0,0,0,0|1,1,1]=4 175 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [0,1,0,0,0,0|1,0,2]=4 176 B7R0.3 CCOC[C@@H](C)OC ecceb3df9b78b58b5b76fdc0f6911e92 [0,1,0,0,0,0|2,0,1]=4 177 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [0,1,0,0,0,0|1,0,2]=4 178 B7R0.3 CCOC[C@H](C)OC fd13d8de7d92a89af8eab0e711a6bd02 [0,1,0,0,0,0|2,0,1]=4 179 B7R0.3 CC[C@@H](O)CNCF 7d1b814c6cda97ec1056049a0891a12c [0,1,0,0,0,0|1,0,2]=4 180 B7R0.3 CC[C@@H](O)CNCO 3c3de5c9d0ff6c16983c8a1b36ce8a94 [0,1,0,0,0,0|1,0,2]=4 181 B7R0.3 CN(C=O)CCCO d9d91dbce26e2eec91c5287e49989c6b [0,1,0,0,0,0|3,0,0]=4 182 B7R0.3 COCCN(C)C=O 31e1cd7ac14afa72fee2870fbd09d003 [0,1,0,0,0,0|3,0,0]=4 183 B7R0.3 COCOC(C)C=O 3707afff98f056c5534ccbc658911b1f [0,1,0,0,0,0|3,0,0]=4 184 B7R0.3 COCO[C@H](C)C=O 34de2462dae77151365395b9e28ef026 [0,1,0,0,0,0|3,0,0]=4 185 B7R0.3 CSCCN(C)C=O a6a4e8ea5b94212ce62d31147e5f4a78 [0,1,0,0,0,0|3,0,0]=4 186 B7R0.3 CSCOC(C)C=O f3e4026b3b027885c21fad548f08eb1c [0,1,0,0,0,0|3,0,0]=4 187 B7R0.3 C[C@H](C=O)NCCBr 1c88aafc7cf0e6ecf5a695c971d96c26 [0,1,0,0,0,0|3,0,0]=4 188 B7R0.3 C[C@H](C=O)NCCF 312336c63755d0cb499e935eb3842567 [0,1,0,0,0,0|3,0,0]=4 189 B7R0.3 C[C@H](C=O)NCCI 365ac184287fbb3cff12bb64cb86f31d [0,1,0,0,0,0|3,0,0]=4 190 B7R0.3 C[C@H](C=O)NCCO c2af2d81a42c507f9635465d1a70fd23 [0,1,0,0,0,0|3,0,0]=4 191 B7R0.3 C[C@H](C=O)NCCS e667bec1b7d47f2ddf6d0ff1e8c85311 [0,1,0,0,0,0|3,0,0]=4 192 B7R0.3 C[C@H](C=O)OCCF a0a5cbe08a1078c6900a6f0acbda2a8d [0,1,0,0,0,0|3,0,0]=4 193 B7R0.3 C[C@H](C=O)OCCS 15879fc18488d12b970460b0830cdd69 [0,1,0,0,0,0|3,0,0]=4 194 B7R0.3 OCC(O)CNCF 54971f62d7287b56e74fe02f927edb77 [0,1,0,0,0,0|2,0,1]=4 195 B7R0.3 OCNCC(O)CO ad4847d74dfd25e9300f25de22da97d8 [0,1,0,0,0,0|2,0,1]=4 196 B7R0.3 OCNC[C@@H](O)CO 6469a515a17b686ce644b12380429cda [0,1,0,0,0,0|2,0,1]=4 197 B7R0.3 OCNC[C@H](O)CO 89675afb1a2671c32b6a45a2d43885a6 [0,1,0,0,0,0|2,0,1]=4 198 B7R0.3 OC[C@@H](O)CNCF 1a0547f242500a499661bc379e80c14b [0,1,0,0,0,0|2,0,1]=4 199 B7R0.3 OC[C@H](O)CNCF 46f2aba6770b910f7cb8b43985603267 [0,1,0,0,0,0|2,0,1]=4 200 B7R0.5 CCCN(C)C(=O)C 2d9bc06e064dcb0b82800ab570f2482e [0,1,0,0,0,0|2,0,1]=4 201 B7R0.5 CCNC(C)C(=O)N 7d9101ed45213ee882e4c1680fbf78d8 [0,1,0,0,0,0|3,0,0]=4 202 B7R0.5 CCNC(C)C(=O)O a9b19181316f90f96751c71a39f085a0 [0,1,0,0,0,0|3,0,0]=4 203 B7R0.5 CCNC(O)C(=O)O e57bdce4aa01317f2f019ff8528e5629 [0,1,0,0,0,0|2,0,0]=3 204 B7R0.5 CCN[C@@H](C)C(=O)N d3ef0fda784c6fd3be35dd07570fe081 [0,1,0,0,0,0|3,0,0]=4 205 B7R0.5 CCN[C@@H](C)C(=O)O fcc04b18ffb8702755c5613065d53d85 [0,1,0,0,0,0|3,0,0]=4 206 B7R0.5 CCN[C@H](C)C(=O)N ced1ae1ac0990c4f7a1ff4ddde70a04d [0,1,0,0,0,0|3,0,0]=4 207 B7R0.5 CCN[C@H](C)C(=O)O 461a17ce9e067f5c1d30933bc07d8775 [0,1,0,0,0,0|3,0,0]=4 208 B7R0.5 CCOC(C)C(=O)C 04432572fe22b740e86ca5259d0a3bbf [0,1,0,0,0,0|2,0,1]=4 209 B7R0.5 CCOC(C)C(=O)N 3ce53fe24b247e6bbc8d0161ba8adc8b [0,1,0,0,0,0|3,0,0]=4 210 B7R0.5 CCOC(C)C(=O)O 1968a3bf4eb23bbce80f27001c40e3aa [0,1,0,0,0,0|3,0,0]=4 211 B7R0.5 CCO[C@@H](C)C(=O)N 886b096e99d61dadf66cd020bfb7d1de [0,1,0,0,0,0|3,0,0]=4 212 B7R0.5 CCO[C@@H](C)C(=O)O f2b03ca68b0ab7d2700716b8fff09b6d [0,1,0,0,0,0|3,0,0]=4 213 B7R0.5 CCO[C@H](C)C(=O)N 8689cd95b03a5d9ff73691cd92fc4b07 [0,1,0,0,0,0|3,0,0]=4 214 B7R0.5 CCO[C@H](C)C(=O)O 156314018bee2c048aecc9ba30245a68 [0,1,0,0,0,0|3,0,0]=4 215 B7R0.5 O=C(O)C(O)NCF debbdbf9e1d3d8838357ca1b62835c9a [0,1,0,0,0,0|3,0,0]=4 216 B7R0.5 O=C(O)C(O)NCO 6aca03582d286fba98508921a1d70ae3 [0,1,0,0,0,0|3,0,0]=4 217 B7R0.7 C/C=C/C(C)OCC 2ab4f7797f6c67b991e2e31923687bf2 [0,1,0,0,0,0|2,0,0]=3 218 B7R0.7 C/C=C/C(C)OCF 3320ba4ae2d9fdbf44f9979a869dffee [0,1,0,0,0,0|3,0,0]=4 219 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,1,0,0,0,0|2,0,0]=3 220 B7R0.7 C=CCC(C)OCF 2ea57e9504db84bdaa251cea2b6d235a [0,1,0,0,0,0|3,0,0]=4 221 B7R0.7 C=CCN(C)CCC 4db190253ad01fc85a9136b104142548 [0,1,0,0,0,0|2,0,0]=3 222 B7R0.7 C=CCN(C)CCF b31bc09de38c09b7eacc67cab349dd8e [0,1,0,0,0,0|3,0,0]=4 223 B7R0.7 C=CCN(C)CCO 979ac659399c5cc5526a5ffaafb300dd [0,1,0,0,0,0|3,0,0]=4 224 B7R0.7 C=CCN(C)CCS 39ef2c909095bde90a27bd83d01eb339 [0,1,0,0,0,0|3,0,0]=4 225 B7R0.7 C=CCN(C)COC 36534bf3b31eb577cc61ba87a9d55a6b [0,1,0,0,0,0|3,0,0]=4 226 B7R0.7 C=CCN(C)CSC f1be06c214da72bca84cecc462a1a3ad [0,1,0,0,0,0|3,0,0]=4 227 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,1,0,0,0,0|2,0,0]=3 228 B7R0.7 C=CC[C@@H](C)OCF 51977b3390daf4ec7d8c8b67e41f6ec4 [0,1,0,0,0,0|3,0,0]=4 229 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,1,0,0,0,0|2,0,0]=3 230 B7R0.7 C=CC[C@H](C)OCF e1a26aac47576e318dc06827e291df9a [0,1,0,0,0,0|3,0,0]=4 231 B7R0.7 CC(CCO)NC=O 892cc7a0d08c79535b8216399ec9a52d [0,1,0,0,0,0|3,0,0]=4 232 B7R0.7 CC=CC(C)OCC 5361522f2e573115d5b96113c76c93d1 [0,1,0,0,0,0|2,0,0]=3 233 B7R0.7 CC=CC(C)OCF 320a75cf236278cddb0a50a5acdd75bf [0,1,0,0,0,0|3,0,0]=4 234 B7R0.7 CCCC(C)NC#N 6ccb4a7f9bfbd442a47f4d4e2e5f0f39 [0,1,0,0,0,0|2,0,1]=4 235 B7R0.7 CCCC(C)NC=O 3b3fdc3aff176c80def2c27de1055661 [0,1,0,0,0,0|2,0,0]=3 236 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,1,0,0,0,0|1,0,2]=4 237 B7R0.7 CCCC(C)NCF 6fe7178c87e8240823259ce8a94eea0d [0,1,0,0,0,0|2,0,1]=4 238 B7R0.7 CCCC(C)NCO a80a7e4a0f1d75fc2436d616e073099f [0,1,0,0,0,0|2,0,1]=4 239 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,1,0,0,0,0|1,0,2]=4 240 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,1,0,0,0,0|2,0,1]=4 241 B7R0.7 CCCN(C)CC=O 1c62a002dac50aaed88f0fc6ab9f5e8c [0,1,0,0,0,0|2,0,1]=4 242 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,1,0,0,0,0|1,0,2]=4 243 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,1,0,0,0,0|2,0,1]=4 244 B7R0.7 CCC[C@H](C)NC=O d7593154c1a9fc5db070af269735e419 [0,1,0,0,0,0|2,0,0]=3 245 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,1,0,0,0,0|1,0,2]=4 246 B7R0.7 CCC[C@H](C)NCF bb5a2f2a6bcb2a0616cca7690ac17090 [0,1,0,0,0,0|2,0,1]=4 247 B7R0.7 CCC[C@H](C)NCO b51a8cc4d30d5ddff8232517fc6ea6d0 [0,1,0,0,0,0|2,0,1]=4 248 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,1,0,0,0,0|1,0,2]=4 249 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,1,0,0,0,0|2,0,1]=4 250 B7R0.7 COCC(C)NC=O 45a0b649e4600219d555cc1f9498bdc8 [0,1,0,0,0,0|3,0,0]=4 251 B7R0.7 COC[C@@H](C)NC=O d1500602ed7da53624fa7ed4337a50c3 [0,1,0,0,0,0|3,0,0]=4 252 B7R0.7 COC[C@H](C)NC=O 9ace0af38b8cac4dc5e5d6d9564d36a8 [0,1,0,0,0,0|3,0,0]=4 253 B7R0.7 C[C@@H](CCO)NC=O eb95ec52954fcdf5dbae515a1b580040 [0,1,0,0,0,0|3,0,0]=4 254 B7R0.7 C[C@H](CCO)NC=O b74e456417922c93cc7901b1f7160ec1 [0,1,0,0,0,0|3,0,0]=4 255 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,1,0,0,0,0|1,0,2]=4 256 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,1,0,0,0,0|2,0,0]=3 257 B7R0.10 CCC(C)N(C)C=O aaa2a77e867aed83923621e3629d674e [0,1,0,0,0,0|3,0,0]=4 258 B7R0.10 CCN(C)C(C)C=O 3a064273f8f7f25930c79a89d95b0e17 [0,1,0,0,0,0|3,0,0]=4 259 B7R0.10 CCN(C)[C@H](C)C=O 193bc5a546dbc7ad240f6d8ae5d9f8d3 [0,1,0,0,0,0|3,0,0]=4 260 B7R0.12 C#CC(C=C)OCC 709b537a4e9a5b4501f9d5eca1f1cb34 [0,1,0,0,0,0|2,0,0]=3 261 B7R0.12 C#CC(C=C)OCF 1638b7a3d70bcf7e50d6b59cef687704 [0,1,0,0,0,0|3,0,0]=4 262 B7R0.12 C=CC(C=C)OCC 7de0118a4df6b31edc8ac929ff93e6e2 [0,1,0,0,0,0|2,0,0]=3 263 B7R0.12 C=CC(C=C)OCF b220aa0fb5154e59155cc47011e4e4f2 [0,1,0,0,0,0|3,0,0]=4 264 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [0,1,0,0,0,0|2,0,0]=3 265 B7R0.12 C=CC(CC)OCF ee733990df23ecaaae0d0e8a90e9d715 [0,1,0,0,0,0|3,0,0]=4 266 B7R0.12 C=C[C@@H](CO)NC=O 5d09ef4825c604a2efc4917c4ac324ba [0,1,0,0,0,0|2,0,1]=4 267 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,1,0,0,0,0|1,0,0]=2 268 B7R0.12 C=C[C@@H](CO)NCF 45f46d0e2d45b5ffe56c443ad856d301 [0,1,0,0,0,0|2,0,0]=3 269 B7R0.12 C=C[C@@H](CO)NCO d2fd6b67e1270056665850c4f76e47e8 [0,1,0,0,0,0|2,0,0]=3 270 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [0,1,0,0,0,0|3,0,0]=4 271 B7R0.12 CCCN(CC)CO 0db6153d76ded508e5655e9e69753d11 [0,1,0,0,0,0|1,0,2]=4 272 B7R0.12 CCNC(CC)CO 69eb8cb0bab039daf9654224be723bd4 [0,1,0,0,0,0|1,0,2]=4 273 B7R0.12 CCNC(CO)CO c3e79c4c97ee2b42d70122fc2549f86f [0,1,0,0,0,0|2,0,1]=4 274 B7R0.12 CCN[C@@H](CC)CO 58754a8a804d698e6257db6bc4cb95b3 [0,1,0,0,0,0|1,0,2]=4 275 B7R0.12 CCN[C@H](CC)CO 5b608cb220323f541c9afa99df78f847 [0,1,0,0,0,0|1,0,2]=4 276 B7R0.12 O=CN(CO)CCO 04adc48d7b0506cc852e54ed640113a1 [0,1,0,0,0,0|3,0,0]=4 277 B7R1.22 CN(C=O)C1CC1 928f5a4e3607cba3f0183c684f92be70 [0,0,0,1,0,0|3,0,0]=4 278 B6R0.4 C=C(Br)CNCC 6e3319104262483598a48b6dc3c212f9 [1,1,0,0,0,0|1,0,1]=4 279 B6R0.4 C=C(Br)COCC 4e277d2c9c73644afe7a0bce57cdf0b5 [1,1,0,0,0,0|1,0,1]=4 280 B6R0.4 C=C(C)CNCC ebc18c3c665b43c324efb5852b5613cc [1,1,0,0,0,0|1,0,1]=4 281 B6R0.4 C=C(C)COCC 6d74b37620be58d1bea5b1911ab2feb1 [1,1,0,0,0,0|1,0,1]=4 282 B6R0.4 C=C(Cl)COCC 7e83f9548d27b7a69b77fbea42966073 [1,1,0,0,0,0|1,0,1]=4 283 B6R0.4 C=C(F)COCC 1657b1ef40f20a415ed1946b6e445fbb [1,1,0,0,0,0|1,0,1]=4 284 B6R0.4 C=C(I)COCC 91286c7e570d24c12cb1f7709ecbaf14 [1,1,0,0,0,0|1,0,1]=4 285 B6R0.4 CC(O)CNCF 144c0c9eef2933c1009167efe9e078a9 [1,1,0,0,0,0|1,0,1]=4 286 B6R0.4 CC(O)CNCO e374449d449cacbe0a46d6d64f7dfbfc [1,1,0,0,0,0|1,0,1]=4 287 B6R0.4 CCCNC(C)C 4cc952815a9d9d6816d0fb90ac14a178 [1,1,0,0,0,0|1,0,1]=4 288 B6R0.4 CCCOC(C)C 9e8901dd10ed96aa593b6a5525365a05 [1,1,0,0,0,0|1,0,1]=4 289 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [1,1,0,0,0,0|1,0,1]=4 290 B6R0.4 CCNCC(C)C 7e39c7f79a4a74429f1ae559b7eef67a [1,1,0,0,0,0|1,0,1]=4 291 B6R0.4 CCNCC(C)O 23f38b24d1514a42c01693786c45a1e6 [1,1,0,0,0,0|0,0,1]=3 292 B6R0.4 CCNCC(F)F 378c0d6ca4a67a557b47e015a9ac5778 [1,1,0,0,0,0|2,0,0]=4 293 B6R0.4 CCNC[C@@H](C)O 72a96453a23c9791f4ab7ea0647d5c76 [1,1,0,0,0,0|0,0,1]=3 294 B6R0.4 CCNC[C@H](C)O 8a893664491d34251811ef315cfcf0f6 [1,1,0,0,0,0|0,0,1]=3 295 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [1,1,0,0,0,0|1,0,1]=4 296 B6R0.4 CCOCC(C)C 2ccacce0745bb2fe2e67c6f95de49a4c [1,1,0,0,0,0|1,0,1]=4 297 B6R0.4 CCOCC(C)F 44ebcc9497b122666f7d5bc3ab3ef961 [1,1,0,0,0,0|1,0,1]=4 298 B6R0.4 CCOCC(C)S 1b6e2c538b0c5040f1c381953bd73f14 [1,1,0,0,0,0|0,1,1]=4 299 B6R0.4 CCOCC(F)F 7bbeb9fafaa3b77bf5c2f88368607c83 [1,1,0,0,0,0|2,0,0]=4 300 B6R0.4 CCOCS(=O)O 631a28bb34068ba6343c83c466f36b33 [1,1,0,0,0,0|2,0,0]=4 301 B6R0.4 CCOC[C@@H](C)F 2d70ac2d3ad9d2770f50309e83cd9521 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.4 CCOC[C@H](C)F b1411946299fa054261b7f4dedb203a5 [1,1,0,0,0,0|1,0,1]=4 303 B6R0.4 C[C@@H](O)CNCF 8bc2039df53fc164c6fcbe4ce553b9bc [1,1,0,0,0,0|1,0,1]=4 304 B6R0.4 C[C@@H](O)CNCO 41205defeb3accd5b70255f13cc7fa6b [1,1,0,0,0,0|1,0,1]=4 305 B6R0.4 C[C@H](O)CNCF 7add29147fcdb7b1f2a2a32e12f20796 [1,1,0,0,0,0|1,0,1]=4 306 B6R0.4 C[C@H](O)CNCO 9710122b7591011cacd5f47cf98b8818 [1,1,0,0,0,0|1,0,1]=4 307 B6R0.6 C#CCCNCC 1f87af2c40b1a88e3547559e235746b5 [1,1,0,0,0,0|0,0,2]=4 308 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,1,0,0,0,0|0,0,2]=4 309 B6R0.6 C#CCNCC=C 8a6691866f7ad7e25dfae0189494fb97 [1,1,0,0,0,0|0,0,2]=4 310 B6R0.6 C#CCNCCC 2f565aea009adc9794b09620d2466479 [1,1,0,0,0,0|0,0,2]=4 311 B6R0.6 C#CCOCC=C 9ee4b3b7cf76c12c4527cb9a8ab9f5f0 [1,1,0,0,0,0|0,0,2]=4 312 B6R0.6 C#CCOCCC 07db973fd9ed633d1826ec45446b3187 [1,1,0,0,0,0|0,0,2]=4 313 B6R0.6 C/C=C/COCC 38bee8c8a9ca6a51c65d50ef4a373d85 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.6 C/C=C/COCF f876c9a9946a26dc2666a1d7b3c464e2 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.6 C/C=C\COCC ec2c513a47c68c3910a66e2b1ca05a58 [1,1,0,0,0,0|1,0,0]=3 316 B6R0.6 C/C=C\COCF 4437c9e2b6a458c6fd2a427b36a619ed [1,1,0,0,0,0|2,0,0]=4 317 B6R0.6 C=CCCNC#N 7f6209637e037705b943b176b9fa9994 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [1,1,0,0,0,0|1,0,1]=4 319 B6R0.6 C=CCCNCC e2aebda5e16fd2d2916f2bc1829c315b [1,1,0,0,0,0|0,0,0]=2 320 B6R0.6 C=CCCNCF fca4fb2fca81e90a9b1427341f54ef98 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [1,1,0,0,0,0|1,0,0]=3 322 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,1,0,0,0,0|0,0,0]=2 323 B6R0.6 C=CCCOCF 1140c1cbcbb8259323b1b9c3ac3dcca1 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.6 C=CCNCC#N e6dacd4b5043db0119c1a8003acadd33 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.6 C=CCNCCBr d1cd80db7a6870786d1584d60bd0065f [1,1,0,0,0,0|1,0,0]=3 326 B6R0.6 C=CCNCCC 4ba17ed70ce803f63c3c4c2f245e9995 [1,1,0,0,0,0|0,0,0]=2 327 B6R0.6 C=CCNCCF 85f09006962bd46f781b5a9c20f77250 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.6 C=CCNCCI 8e0cfe94ef7f657b46a21b3c9050a31b [1,1,0,0,0,0|1,0,0]=3 329 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [1,1,0,0,0,0|1,0,0]=3 330 B6R0.6 C=CCNCCS ef73696c34150349c2400a6c9866494e [1,1,0,0,0,0|1,0,0]=3 331 B6R0.6 C=CCOCC#N 74b14a6e6555166ef6d735282c8bae13 [1,1,0,0,0,0|1,0,1]=4 332 B6R0.6 C=CCOCCC 1dbb1c31b2e886af57d9e977bbb54c80 [1,1,0,0,0,0|0,0,0]=2 333 B6R0.6 C=CCOCCF 5c80aaae5b6c5ce04c06e7032d640ec0 [1,1,0,0,0,0|1,0,0]=3 334 B6R0.6 C=CCOCCS 0645f95678036203e123867906f767b0 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.6 C=CCOCOC 10a689a63bf52a96b5eea3af932877d6 [1,1,0,0,0,0|1,0,0]=3 336 B6R0.6 CC=CCNCC bcab2e681f9487cbafa8d0c52ed70b5a [1,1,0,0,0,0|1,0,0]=3 337 B6R0.6 CC=CCNCF 92c4cdfc4b494474241467ecc4ab1212 [1,1,0,0,0,0|2,0,0]=4 338 B6R0.6 CC=CCNCO c2d6aa2f6263348f8e93d5ad39fb9704 [1,1,0,0,0,0|2,0,0]=4 339 B6R0.6 CC=CCOCC 1bf4842cf68ff7130be8f9549d740c80 [1,1,0,0,0,0|1,0,0]=3 340 B6R0.6 CC=CCOCF edbe5371c567ee2412f3784e58a84892 [1,1,0,0,0,0|2,0,0]=4 341 B6R0.6 CCCCNC#N 2fcfe24b87d3fb74c30aadce76da6bba [1,1,0,0,0,0|1,0,1]=4 342 B6R0.6 CCCCNC=O 1d6cf15c52b7bdddc1e5bbdb0b9deb3d [1,1,0,0,0,0|1,0,0]=3 343 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,1,0,0,0,0|0,0,2]=4 344 B6R0.6 CCCCNCF 2dc017f5f1e2c9397dbf0c4166cd224f [1,1,0,0,0,0|1,0,1]=4 345 B6R0.6 CCCCNCO 618fd93ff0c440b25c4141ff5dfc5703 [1,1,0,0,0,0|1,0,1]=4 346 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,1,0,0,0,0|0,0,2]=4 347 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,1,0,0,0,0|1,0,1]=4 348 B6R0.6 CCCNCC#N 700c5060d13b84376c28debe23872de5 [1,1,0,0,0,0|1,0,1]=4 349 B6R0.6 CCCNCC=O 6f90aab08cc8a4799f8c9819fe03dcf0 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,1,0,0,0,0|1,0,1]=4 351 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,1,0,0,0,0|0,0,2]=4 352 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,1,0,0,0,0|1,0,1]=4 353 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,1,0,0,0,0|1,0,1]=4 354 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,1,0,0,0,0|1,0,1]=4 356 B6R0.6 CCCNCOC e97c2d5a22ce001afa1236daa1cad7bc [1,1,0,0,0,0|1,0,1]=4 357 B6R0.6 CCCNCSC 9d2bba1337aa149b0d3e1fa022653bf5 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.6 CCCOCC#N e105adcae6a2d05300d2abe580f4db2b [1,1,0,0,0,0|1,0,1]=4 359 B6R0.6 CCCOCC=O a311990c6ea11edb5945b3bbc64330c1 [1,1,0,0,0,0|1,0,0]=3 360 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,1,0,0,0,0|0,0,2]=4 361 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,1,0,0,0,0|1,0,1]=4 362 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,1,0,0,0,0|1,0,1]=4 363 B6R0.6 CCCOCOC c11e71c41afe194d616e687f4176c864 [1,1,0,0,0,0|1,0,1]=4 364 B6R0.6 CCCOCSC 1c1d3e4eeaee5d66440c30d368585d8f [1,1,0,0,0,0|1,0,1]=4 365 B6R0.6 CCNCCC#N c72118a2f8fbc184811608d26943fad0 [1,1,0,0,0,0|1,0,1]=4 366 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.6 CCNCCOC f1fb223c89b0752d151e88a41e5b29d9 [1,1,0,0,0,0|1,0,1]=4 369 B6R0.6 CCNCCON 8ffd4b6dce6c6f323c5766eadd20f707 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.6 CCNCCSC 3a09ff3676749a10d2a9ca69484831c2 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.6 CCOC/C=C/Cl da3696907b7fb9db442b9b20d9bcb8d2 [1,1,0,0,0,0|1,0,0]=3 372 B6R0.6 CCOCC=CCl c81d128531002285a68f4ce8014c7151 [1,1,0,0,0,0|1,0,0]=3 373 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,1,0,0,0,0|1,0,1]=4 374 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,1,0,0,0,0|1,0,0]=3 375 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,1,0,0,0,0|1,0,1]=4 376 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,1,0,0,0,0|1,0,1]=4 377 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,1,0,0,0,0|1,0,1]=4 378 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,1,0,0,0,0|1,0,1]=4 379 B6R0.6 COCCNC=O a492c5e448492de86be811dda47a14fa [1,1,0,0,0,0|2,0,0]=4 380 B6R0.6 COCOCC=O 8fbd0ca4cabb5e823c04e12302889616 [1,1,0,0,0,0|2,0,0]=4 381 B6R0.6 CSCCNC=O 64c5f2b7b4373c36dc6e266bf8eaef67 [1,1,0,0,0,0|2,0,0]=4 382 B6R0.6 FCOC/C=C/Cl b004e8b2046201bd100e010636144deb [1,1,0,0,0,0|2,0,0]=4 383 B6R0.6 FCOCC=CCl 73af65b88ff3f3e74144a7afcc6be997 [1,1,0,0,0,0|2,0,0]=4 384 B6R0.6 O=CCCOCF 8caf1bfe380e15fd4f770dc31d80b710 [1,1,0,0,0,0|2,0,0]=4 385 B6R0.6 O=CCNCCBr 7f568f9e360d41a253fcf8819356fa07 [1,1,0,0,0,0|2,0,0]=4 386 B6R0.6 O=CCNCCF dd3d83ca6df75c2a1eb5d1658b3a79f1 [1,1,0,0,0,0|2,0,0]=4 387 B6R0.6 O=CCNCCI 6fab095304600b7f13dbb8e04b2ca4cb [1,1,0,0,0,0|2,0,0]=4 388 B6R0.6 O=CCNCCO e6f1437c7e7236c4dcd52e0503433b68 [1,1,0,0,0,0|2,0,0]=4 389 B6R0.6 O=CCNCCS 370a4d5b8fa12c00fc5b9baca6825542 [1,1,0,0,0,0|2,0,0]=4 390 B6R0.6 O=CCOCCF 52eac958c7e22959ee04b75c2f64dd9f [1,1,0,0,0,0|2,0,0]=4 391 B6R0.6 O=CCOCCS 87be380c7b8a8ef700f2d28d409dd9de [1,1,0,0,0,0|2,0,0]=4 392 B6R0.6 O=CNCCCCl 3c2b93c26ca4c02fdf2ab75c703ceca5 [1,1,0,0,0,0|2,0,0]=4 393 B6R0.6 O=CNCCCO a96c8d7ee94dc67d16d365c33488e6be [1,1,0,0,0,0|2,0,0]=4 394 B8R0.2 C=CC(C)N(C)C(C)C eaca476269d7cf2cf36348600ca17898 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.5 C/C=C/C(C)OC(C)C 3fc3b71e5112498c32ab71ebfb48689d [0,2,0,0,0,0|2,0,0]=4 396 B8R0.5 C=C(Br)CN(C)CCC fb2b399db1881507b03f49296dad3a42 [0,2,0,0,0,0|2,0,0]=4 397 B8R0.5 C=C(C)CN(C)CCC 67a547626d9fe48bc4d555dd9d8ee25d [0,2,0,0,0,0|2,0,0]=4 398 B8R0.5 C=C(Cl)CN(C)CCC 40fce807c5ffbcb654536672bed9a3b8 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.5 C=CCC(C)OC(C)C 45825ae26f455c78095404e7f4d38fa0 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.5 C=CCN(C)CC(C)C 3fa9ce8ec18690500d13d39f3e47e37f [0,2,0,0,0,0|2,0,0]=4 401 B8R0.5 C=CCN(C)CC(C)O 98078d051a2aa42feeb30365cf9eac59 [0,2,0,0,0,0|2,0,0]=4 402 B8R0.5 C=CCN(C)C[C@@H](C)O e167456bc4052769be3cf4c12ee18525 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.5 C=CCN(C)C[C@H](C)O d30282dbd8bfd187bc5b269104a4a2c3 [0,2,0,0,0,0|2,0,0]=4 404 B8R0.5 C=CC[C@@H](C)OC(C)C d81df3e229a2355212eeaf2dac2b4426 [0,2,0,0,0,0|2,0,0]=4 405 B8R0.5 C=CC[C@H](C)OC(C)C 2ebaf3f133b5c58d9bd9bf758c41b800 [0,2,0,0,0,0|2,0,0]=4 406 B8R0.5 CC(C)CC(C)NC=O e933238982de5f0216c89e274f51b483 [0,2,0,0,0,0|2,0,0]=4 407 B8R0.5 CC(O)CC(C)NC=O 76dc14d6eeea3df57c426497eec6d958 [0,2,0,0,0,0|2,0,0]=4 408 B8R0.5 CC=CC(C)OC(C)C 4d526ed4c4791e35f130177176885572 [0,2,0,0,0,0|2,0,0]=4 409 B8R0.5 CCCC(C)NC(=O)C 1ed0caa6bab6b1d79a8ed0b0c0e539ad [0,2,0,0,0,0|1,0,1]=4 410 B8R0.5 CCC[C@H](C)NC(=O)C 95c9eaebbb0a0de223f5b617f08585d8 [0,2,0,0,0,0|1,0,1]=4 411 B8R0.16 C#CC(C=C)OC(C)C 70f3ae03b151359cc58599ae1dbcff59 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.16 C=CC(C=C)OC(C)C d52270769618bbb9ffdd6080fb107203 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.16 C=CC(CC)OC(C)C 54a2ef8638860ea6d3922727d18450c8 [0,2,0,0,0,0|2,0,0]=4 414 B8R0.16 C=C[C@@H](CO)NC(=O)C aeb66beba94c776e664bf89f304fa11b [0,2,0,0,0,0|1,0,1]=4 415 B8R0.16 C=C[C@@H](CO)NC(C)C 0ba4a157b4c2e9c46c8446adb8942bfc [0,2,0,0,0,0|1,0,0]=3 416 B8R0.19 C#CC(C)NC(C)C=C 1e59c346f3f75aac195d01ad4bbad141 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.19 C#CC(C)OC(C)C=C 5821fa0d8044ca1cd14dc9a883f9aac7 [0,2,0,0,0,0|2,0,0]=4 418 B8R0.19 C#CC(C)O[C@@H](C)C=C c729490699dac30c1ccb2f051ea5e786 [0,2,0,0,0,0|2,0,0]=4 419 B8R0.19 C#C[C@@H](C)NC(C)C=C 2d1bf9107846765d73d377c20379221d [0,2,0,0,0,0|2,0,0]=4 420 B8R0.19 C#C[C@@H](C)OC(C)C=C cb635d9180603729604a3935ccdae82c [0,2,0,0,0,0|2,0,0]=4 421 B8R0.19 C#C[C@H](C)NC(C)C=C dde0786391d0c414619fa5a6c9a5813d [0,2,0,0,0,0|2,0,0]=4 422 B8R0.19 C#C[C@H](C)OC(C)C=C 46866a2d62cbcd93b3d4ab8ae5907f2f [0,2,0,0,0,0|2,0,0]=4 423 B8R0.19 C=CC(=O)NC(C)CC 618b63daf38e12edf0af1cf418a0bd56 [0,2,0,0,0,0|0,0,2]=4 424 B8R0.19 C=CC(=O)N[C@@H](C)CC a3ffc6e9f98d3fec0068c30de1c1aa9d [0,2,0,0,0,0|0,0,2]=4 425 B8R0.19 C=CC(=O)N[C@H](C)CC 7381476a5c4cd38996f0fa157a298c50 [0,2,0,0,0,0|0,0,2]=4 426 B8R0.19 C=CC(C)NC(=O)CC 839432ec7d3f0e80c7881e3c8ea6f7fd [0,2,0,0,0,0|1,0,1]=4 427 B8R0.19 C=CC(C)NC(C)C#N 277fe4d0596b72ea232504fa4a9b5517 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.19 C=CC(C)NC(C)C=C 6564b9b3d21080b06ef30999ebe61cab [0,2,0,0,0,0|2,0,0]=4 429 B8R0.19 C=CC(C)NC(C)C=O d8f597c784a2041960a60a9dc346cd97 [0,2,0,0,0,0|2,0,0]=4 430 B8R0.19 C=CC(C)NC(C)CC e9ebdce484176221c839f82d3478dfcf [0,2,0,0,0,0|1,0,0]=3 431 B8R0.19 C=CC(C)NC(C)CO 16bfb84f1a59540a82679309d4dc3f25 [0,2,0,0,0,0|2,0,0]=4 432 B8R0.19 C=CC(C)N[C@@H](C)CC 2f0eb31eec332386adfd7c08306c8c8e [0,2,0,0,0,0|1,0,0]=3 433 B8R0.19 C=CC(C)N[C@@H](C)CO 9318e8c97a9de64d7856b7d040f6852d [0,2,0,0,0,0|2,0,0]=4 434 B8R0.19 C=CC(C)N[C@H](C)C=O adfed9aa775ef8e8e064edcb3c13e273 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.19 C=CC(C)N[C@H](C)CC 89c11e3a57bbd19c7277e9fb736a8310 [0,2,0,0,0,0|1,0,0]=3 436 B8R0.19 C=CC(C)N[C@H](C)CO f4599183896b7f79d673f6126dc6f883 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.19 C=CC(C)OC(C)C#N 272a3d0a5f1504134dc933f5740bcf56 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.19 C=CC(C)OC(C)C=C c0e3cfbca0a5d666688337dd943e6d74 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.19 C=CC(C)OC(C)C=O a14f8a144662325980f92a7e34f44b0b [0,2,0,0,0,0|2,0,0]=4 440 B8R0.19 C=CC(C)OC(C)CC bc030ee1d54310e4e42e3ca28b627322 [0,2,0,0,0,0|1,0,0]=3 441 B8R0.19 C=CC(C)OC(C)CF 80a71e0ab2b4abfb59a24e3df79a0f69 [0,2,0,0,0,0|2,0,0]=4 442 B8R0.19 C=CC(C)OC(C)CS 2cc450a10d759d671dcc3fb3c455e286 [0,2,0,0,0,0|2,0,0]=4 443 B8R0.19 C=CC(C)O[C@@H](C)C=C bcef73d7927d51df0aab7940543d5d6c [0,2,0,0,0,0|2,0,0]=4 444 B8R0.19 C=CC(C)O[C@@H](C)CC 3c69a31efdac74917d5815feffec4931 [0,2,0,0,0,0|1,0,0]=3 445 B8R0.19 C=CC(C)O[C@H](C)C=O e975c1c193e8cf59eee0e378968c8133 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.19 C=CC(C)O[C@H](C)CC 23874840195e0ea82a3608089cd552e1 [0,2,0,0,0,0|1,0,0]=3 447 B8R0.19 C=CC(C)O[C@H](C)CS 30e7db33263b822e66e2cdbb0d7f9f01 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.19 C=C[C@H](C)OC(C)C#N 58a7b54afc8fae266fe543d1e9479560 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.19 C=C[C@H](C)OC(C)C=O a02b9a9621b22abf0486857e14467d72 [0,2,0,0,0,0|2,0,0]=4 450 B8R0.19 C=C[C@H](C)OC(C)CC 8317ad39d31f9c390bbb41cff204bc88 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.19 C=C[C@H](C)O[C@H](C)C=O 2397bf9740e727b553b1618d19461d4c [0,2,0,0,0,0|2,0,0]=4 452 B8R0.19 CCC(C)NC(C)C=O 610b4a8ffb3807f31c76d2eb3d0b9780 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.19 CCC(C)N[C@H](C)C=O bcb94071dd29361c15a01b7c88596d57 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.19 CCC(C)OC(C)C=O eff298f26322e5014e51cb58e37ec95a [0,2,0,0,0,0|2,0,0]=4 455 B8R0.19 CCC(C)O[C@H](C)C=O 8b0db61f6f95e4e0ee500a8429036305 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.19 CCC(O)CN(C)CC 05ba2ce1cbf52722b11091eb58aa8124 [0,2,0,0,0,0|0,0,2]=4 457 B8R0.19 CCN(C)CC(O)CF 9b5f95856fc2428b6d2e975cfa34b30b [0,2,0,0,0,0|1,0,1]=4 458 B8R0.19 CCN(C)CC(O)CO 1d1312ada3c341da8de27cc3789abca2 [0,2,0,0,0,0|1,0,1]=4 459 B8R0.19 CCN(C)C[C@@H](O)CO e64e4131d671816539b2429b245cd316 [0,2,0,0,0,0|1,0,1]=4 460 B8R0.19 CCN(C)C[C@H](O)CO f45fa40fd7de9da18f9df806f59986f2 [0,2,0,0,0,0|1,0,1]=4 461 B8R0.19 CC[C@@H](C)NC(C)C=O abf2de4d64d8367bf152827fa19c8747 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.19 CC[C@@H](C)N[C@H](C)C=O 3342a1648b9263897ca0c454c43aa5e6 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.19 CC[C@@H](C)OC(C)C=O 665da496f78ef9cbb93bd2fbabb6c4bb [0,2,0,0,0,0|2,0,0]=4 464 B8R0.19 CC[C@@H](C)O[C@H](C)C=O 89b33ea7698450df463669e4946abea4 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.19 CC[C@H](C)NC(C)C=O 018c527e97f5ffc308f69037c7d3a009 [0,2,0,0,0,0|2,0,0]=4 466 B8R0.19 CC[C@H](C)N[C@H](C)C=O d64bf9f3a5fe53c581afe2fb82ccfd54 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.19 CC[C@H](C)OC(C)C=O 0ca2a7fbf13c00f26ded9cafaaef3a1d [0,2,0,0,0,0|2,0,0]=4 468 B8R0.19 CC[C@H](C)O[C@H](C)C=O 65f006b95602312ad77964961ea5b1e5 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.23 CC(C)NC(O)C(=O)O 9854a2bbdccc28b8651cc97fd5606c53 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.24 C=CC(C)NC(C)(C)C d673f85c9fb9c3ebb977d5b21bfc990e [0,2,0,0,0,0|2,0,0]=4 471 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,2,0,0,0,0|0,0,2]=4 472 B8R0.1 C/C=C/C(C)OCCC 63733f028ee2622e94a5b800971df6ec [0,2,0,0,0,0|1,0,0]=3 473 B8R0.1 C/C=C/C(C)OCCF c7f42edd3c181e39c4262c0cf6c522fc [0,2,0,0,0,0|2,0,0]=4 474 B8R0.1 C/C=C/C(C)OCCS ffa90dbc8d97398889c970ed403d64c7 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.1 C/C=C/C(C)OCOC e0edb19b0a5a02663f9d52b5b2441e89 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.1 C/C=C/C(C)OCSC 7bd1b57eaf0e1c7256baeb02ffe2e648 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.1 C/C=C/CN(C)CCC 68fa4beb90f4e459d9bc957a029629eb [0,2,0,0,0,0|2,0,0]=4 478 B8R0.1 C/C=C\CN(C)CCC d8f36325b90dad42a1f23b0fb5c73ea6 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,2,0,0,0,0|0,0,2]=4 480 B8R0.1 C=CCC(C)COCC 1270be54942bfc9267f93a523dae28a1 [0,2,0,0,0,0|1,0,0]=3 481 B8R0.1 C=CCC(C)COCF 1addc2f48251cfde760e48a173ade9f6 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.1 C=CCC(C)OCCC a45dcff5acaff24e8a928ffef7da10dd [0,2,0,0,0,0|1,0,0]=3 483 B8R0.1 C=CCC(C)OCCF 876f3a417169ab4b1923ee788d5dc5a1 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.1 C=CCC(C)OCCS fc0c953432b2651d92b5a8e3c428c38d [0,2,0,0,0,0|2,0,0]=4 485 B8R0.1 C=CCC(C)OCOC 281b0bbcfd0d56f0759e511db89fe2ba [0,2,0,0,0,0|2,0,0]=4 486 B8R0.1 C=CCC(C)OCSC 22615d5f2d03cd17a008d29371245f31 [0,2,0,0,0,0|2,0,0]=4 487 B8R0.1 C=CCC(O)CNC=O bd60316b28a4da54cc901c5bd26e442c [0,2,0,0,0,0|1,0,1]=4 488 B8R0.1 C=CCC(O)CNCC aa1682f0a7f6c65d6e9eb9dff4402815 [0,2,0,0,0,0|0,0,0]=2 489 B8R0.1 C=CCC(O)CNCF c0bdf6f8ca06080a80ef62d0a41a2190 [0,2,0,0,0,0|1,0,0]=3 490 B8R0.1 C=CCC(O)CNCO 204a1c2d99d2ab906e0c45b9fba04cd9 [0,2,0,0,0,0|1,0,0]=3 491 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,2,0,0,0,0|2,0,0]=4 492 B8R0.1 C=CCCN(C)CCC dab57175e9273de33949da20b7fb71b3 [0,2,0,0,0,0|2,0,0]=4 493 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,2,0,0,0,0|2,0,0]=4 494 B8R0.1 C=CCN(C)CCCC 7e690a78fa00c036d6b524400b1b2762 [0,2,0,0,0,0|2,0,0]=4 495 B8R0.1 C=CCN(C)CCCF 321f3b1711738193a09039846d139e57 [0,2,0,0,0,0|2,0,0]=4 496 B8R0.1 C=CCN(C)CCCO 9b92752ecae5d7c0bd7bb52b6f94bdc6 [0,2,0,0,0,0|2,0,0]=4 497 B8R0.1 C=CCN(C)CCCS 61cf49fc564e4db05ae16346ec0e4e78 [0,2,0,0,0,0|2,0,0]=4 498 B8R0.1 C=CCN(C)CCOC 35c6a7bb506c9bbb574bc4cf97ada70e [0,2,0,0,0,0|2,0,0]=4 499 B8R0.1 C=CCN(C)CCSC ee9f42aa31f4a8a97ec7d7c915a6bf5a [0,2,0,0,0,0|2,0,0]=4 500 B8R0.1 C=CCN(C)COCC 5ff4c124ad3f579f89631f8abd7975f7 [0,2,0,0,0,0|2,0,0]=4 501 B8R0.1 C=CCNC(C)CCC 36451e2cb7be8df5f7670577a1f566ee [0,2,0,0,0,0|1,0,0]=3 502 B8R0.1 C=CCNC(C)CCO 20392bc249adb293d88033c472c5ba70 [0,2,0,0,0,0|2,0,0]=4 503 B8R0.1 C=CCNC(C)COC 8be0a1a3efe06201dfdebdb472d4b60d [0,2,0,0,0,0|2,0,0]=4 504 B8R0.1 C=CCN[C@@H](C)CCC d5fcdf262c72aeb1e02dde87ad10c66b [0,2,0,0,0,0|1,0,0]=3 505 B8R0.1 C=CCN[C@@H](C)CCO 1b9f49ff05f45441652baa86b54c33fb [0,2,0,0,0,0|2,0,0]=4 506 B8R0.1 C=CCN[C@@H](C)COC aab98976808482653489089b6e41eaad [0,2,0,0,0,0|2,0,0]=4 507 B8R0.1 C=CCN[C@H](C)CCO a742a5ac3ea9b1a9e5ba170dc2102a99 [0,2,0,0,0,0|2,0,0]=4 508 B8R0.1 C=CCN[C@H](C)COC da94bb1b36f0e4246472ca31a9988767 [0,2,0,0,0,0|2,0,0]=4 509 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,2,0,0,0,0|0,1,1]=4 510 B8R0.1 C=CCOC(C)CCC fbdc613bc45f6b8caccc8ec8a52f0c2d [0,2,0,0,0,0|1,0,0]=3 511 B8R0.1 C=CCOC(C)COC 5cdae24e3deb217752566671cd1e864c [0,2,0,0,0,0|2,0,0]=4 512 B8R0.1 C=CCOC(C)CSC 66d2cdb6f488bc931466771d9a4d5e16 [0,2,0,0,0,0|2,0,0]=4 513 B8R0.1 C=CCO[C@@H](C)CCC 709aabbb80656eae64c78055179b3126 [0,2,0,0,0,0|1,0,0]=3 514 B8R0.1 C=CCO[C@@H](C)COC ddb97d53499bbb5a741daaae71316e95 [0,2,0,0,0,0|2,0,0]=4 515 B8R0.1 C=CCO[C@H](C)CCC 0d000bc310de5de3a03499af588f23c5 [0,2,0,0,0,0|1,0,0]=3 516 B8R0.1 C=CCO[C@H](C)COC 517e372db2b6b0cbc809bc89ea1bfb62 [0,2,0,0,0,0|2,0,0]=4 517 B8R0.1 C=CC[C@@H](C)OCCC d5c9cea8bbf114b9070cd8c5746c3116 [0,2,0,0,0,0|1,0,0]=3 518 B8R0.1 C=CC[C@@H](C)OCCF 0e221b4e3777ac0e75fec6bc777769f9 [0,2,0,0,0,0|2,0,0]=4 519 B8R0.1 C=CC[C@@H](C)OCCS a793bef9b5fb1aecc9937aaba2cf4ca4 [0,2,0,0,0,0|2,0,0]=4 520 B8R0.1 C=CC[C@@H](C)OCOC fcb1b5a2c21edbd89383d6033a63e9ae [0,2,0,0,0,0|2,0,0]=4 521 B8R0.1 C=CC[C@@H](C)OCSC c7295f0bbc48ced0b90bfdbfbefa2e81 [0,2,0,0,0,0|2,0,0]=4 522 B8R0.1 C=CC[C@H](C)OCCC 25f96375986637102dbe5a79fcef6427 [0,2,0,0,0,0|1,0,0]=3 523 B8R0.1 C=CC[C@H](C)OCCF de84939ff1a4fae7b057243706dea173 [0,2,0,0,0,0|2,0,0]=4 524 B8R0.1 C=CC[C@H](C)OCCS 061bef58b35add8d9c046c4e85b43a74 [0,2,0,0,0,0|2,0,0]=4 525 B8R0.1 C=CC[C@H](C)OCOC f258f69d76f9669905c9f9c961e70ed3 [0,2,0,0,0,0|2,0,0]=4 526 B8R0.1 C=CC[C@H](C)OCSC daeb07a08dc35c24216d7d76c9c166e7 [0,2,0,0,0,0|2,0,0]=4 527 B8R0.1 CC(CCCO)NC=O 15bbe5f218049b8debf6ff63d25de29f [0,2,0,0,0,0|2,0,0]=4 528 B8R0.1 CC=CC(C)OCCC d62e55aefb4912836b720106d29ce9c5 [0,2,0,0,0,0|1,0,0]=3 529 B8R0.1 CC=CC(C)OCCF ba6301f6f87e211fb33c607df00d8a0c [0,2,0,0,0,0|2,0,0]=4 530 B8R0.1 CC=CC(C)OCCS 02646f09bd8a02cbc22c0c81965c173c [0,2,0,0,0,0|2,0,0]=4 531 B8R0.1 CC=CC(C)OCOC 1574b59a1545c116aef18dabe2c45084 [0,2,0,0,0,0|2,0,0]=4 532 B8R0.1 CC=CC(C)OCSC 649acf68090c01608c547993a8bbff15 [0,2,0,0,0,0|2,0,0]=4 533 B8R0.1 CCCC(C)NCC=O 9f1868c3f1326c5a8444197e6058548a [0,2,0,0,0,0|1,0,1]=4 534 B8R0.1 CCCC(C)OCC=O bf24684220a55c36790abbdedb1b3799 [0,2,0,0,0,0|1,0,1]=4 535 B8R0.1 CCCC(O)CNC=O 3e50ed85c9c916875e196c40b2fc51de [0,2,0,0,0,0|0,0,1]=3 536 B8R0.1 CCCC(O)CNCC 832780b22c4621b899b7afcc4f4f0de1 [0,2,0,0,0,0|0,0,2]=4 537 B8R0.1 CCCC(O)CNCF 9e922850e385a2cbcd148cdd0ed96f6f [0,2,0,0,0,0|0,0,2]=4 538 B8R0.1 CCCC(O)CNCO 64eda460853947fa76aaab0ea9fa11c8 [0,2,0,0,0,0|0,0,2]=4 539 B8R0.1 CCCCC(C)NC=O 203907a44368850c8dee59ecad001a1f [0,2,0,0,0,0|2,0,0]=4 540 B8R0.1 CCCC[C@@H](C)NC=O 85ae0f7eb97c9ecc6858b3133cc13253 [0,2,0,0,0,0|2,0,0]=4 541 B8R0.1 CCCN(C)C/C=C/Cl 053be1c3804b0f40a9cdad829ccbf7bd [0,2,0,0,0,0|2,0,0]=4 542 B8R0.1 CCCN(C)C/C=C\Cl 1125c72ad5f10029dac46adbd18ceff1 [0,2,0,0,0,0|2,0,0]=4 543 B8R0.1 CCCN(C)C/C=C\O 2a082a41c2329b960b6a0761624140ea [0,2,0,0,0,0|2,0,0]=4 544 B8R0.1 CCCNC(=O)/C=C/Br b1926545c958d5233a97eecf45ef793e [0,2,0,0,0,0|0,0,2]=4 545 B8R0.1 CCCNC(=O)/C=C/Cl 5d162a53ee9ec44c434e097fbf07a78f [0,2,0,0,0,0|0,0,2]=4 546 B8R0.1 CCCNC(=O)/C=C/I 3483980bedd76cbe76739ba0675640bc [0,2,0,0,0,0|0,0,2]=4 547 B8R0.1 CCCNC(=O)/C=C\Br 587063f23ad9d4c3a5d091f654b1750d [0,2,0,0,0,0|0,0,2]=4 548 B8R0.1 CCCNC(=O)/C=C\Cl 80de1f593bb86fc7c7361689ff20ca17 [0,2,0,0,0,0|0,0,2]=4 549 B8R0.1 CCCNC(=O)/C=C\I 30402a319b6c1a883b3206c216549b42 [0,2,0,0,0,0|0,0,2]=4 550 B8R0.1 CCCNC(=O)C=CBr 9a0fc142e13566664539b9eb458de53b [0,2,0,0,0,0|0,0,2]=4 551 B8R0.1 CCCNC(=O)C=CI 68a3e0e9c9707da402b670771198154c [0,2,0,0,0,0|0,0,2]=4 552 B8R0.1 CCC[C@@H](C)OCC=O 81402cca9611ddb40901d5fa2d62e285 [0,2,0,0,0,0|1,0,1]=4 553 B8R0.1 CCC[C@H](C)NCC=O 344319cad1a5cb6c553f571432cf347f [0,2,0,0,0,0|1,0,1]=4 554 B8R0.1 CCC[C@H](C)OCC=O cd3513e181af862dd8891792f8677966 [0,2,0,0,0,0|1,0,1]=4 555 B8R0.1 CCNCC(O)COC f6b0536e22df73e563264ad1928c3a48 [0,2,0,0,0,0|0,0,2]=4 556 B8R0.1 CCNC[C@H](O)COC 5c0728270cf850017ded59cb547c9167 [0,2,0,0,0,0|0,0,2]=4 557 B8R0.1 COCC(O)CNC=O dcf0e3098a4084e4af6a40d5ee812c91 [0,2,0,0,0,0|1,0,1]=4 558 B8R0.1 COC[C@@H](O)CNC=O 17b12184b93d1444bd3c1cfdf3acf27b [0,2,0,0,0,0|1,0,1]=4 559 B8R0.1 C[C@H](CCCO)NC=O 76787ce64f2b79059513d880ee57c0da [0,2,0,0,0,0|2,0,0]=4 560 B8R0.3 C=CC(=O)N(C)CCC f05c81ec6e4b8b88c210d66f3d63ec26 [0,2,0,0,0,0|0,0,2]=4 561 B8R0.3 C=CC(C)N(C)CCC dcaf3d979e8229a6a7227fc47437ea40 [0,2,0,0,0,0|1,0,0]=3 562 B8R0.3 C=CC(C)N(C)CCF 431bf90c5cbf771c69561c6fc0fefdf1 [0,2,0,0,0,0|2,0,0]=4 563 B8R0.3 C=CC(C)N(C)CCO 31b5ed7aa5a205519e8ef808de3cf2e1 [0,2,0,0,0,0|2,0,0]=4 564 B8R0.3 C=CCN(C)C(C)CC 0f1e60581fe569ba5c9e9daeaa046c78 [0,2,0,0,0,0|2,0,0]=4 565 B8R0.3 C=C[C@@H](C)[C@@H](C)OCC 7174985858b6754d29082e0523030593 [0,2,0,0,0,0|1,0,0]=3 566 B8R0.3 C=C[C@@H](C)[C@@H](C)OCF 320b871b90b1c6d7a8787c064ee27dad [0,2,0,0,0,0|2,0,0]=4 567 B8R0.3 C=C[C@@H](C)[C@H](C)OCC 1539f179cedf60643533cb2e64df525b [0,2,0,0,0,0|1,0,0]=3 568 B8R0.3 C=C[C@@H](C)[C@H](C)OCF 11edcfbd0cfd8e4b244efb2293fea096 [0,2,0,0,0,0|2,0,0]=4 569 B8R0.3 C=C[C@H](C)[C@@H](C)OCC d464e2ddb3652873a2501204a8efab8b [0,2,0,0,0,0|1,0,0]=3 570 B8R0.3 C=C[C@H](C)[C@@H](C)OCF 555ee22c25d28a7f3906408dffd4a54b [0,2,0,0,0,0|2,0,0]=4 571 B8R0.3 C=C[C@H](C)[C@H](C)OCC 0a872f2d6d98f6438e7af34bb761da4a [0,2,0,0,0,0|1,0,0]=3 572 B8R0.3 C=C[C@H](C)[C@H](C)OCF 8aa41afefc83e43b6fae7a503395bafa [0,2,0,0,0,0|2,0,0]=4 573 B8R0.3 CCC(C)C(C)NC=O 4790f87f99d2631c4d7242b87ea52752 [0,2,0,0,0,0|2,0,0]=4 574 B8R0.3 CCCN(C)C(=O)C=O ae9046810fc57b836f1225fb4fa409a0 [0,2,0,0,0,0|2,0,0]=4 575 B8R0.3 CCCN(C)C(C)C=O e6473a1a6d02a5e82b6c038acd576da0 [0,2,0,0,0,0|2,0,0]=4 576 B8R0.3 CCCN(C)[C@H](C)C=O 3790552277429781db5f53610a8878f0 [0,2,0,0,0,0|2,0,0]=4 577 B8R0.6 C#CCCNC(C)C=C 8395928348861800aa4c32b9fe974e18 [0,2,0,0,0,0|1,0,1]=4 578 B8R0.6 C#CCCOC(C)C=C bd80accd250ead8312285d622a47adc4 [0,2,0,0,0,0|1,0,1]=4 579 B8R0.6 C#CCCO[C@@H](C)C=C 89452d5801aa9ec45f7b3f9c957db4c6 [0,2,0,0,0,0|1,0,1]=4 580 B8R0.6 C#CCNCC(O)C=C 8e9c0d7e1ff1c84b2b4fa6685ea9e369 [0,2,0,0,0,0|0,0,1]=3 581 B8R0.6 C#CCOCC(C)C=C dd0e29553acd4bd953aaaa612c32ae82 [0,2,0,0,0,0|1,0,1]=4 582 B8R0.6 C=CC(=O)NCCCC 4c95ec79288c2f88fcb23d3a93f15b5c [0,2,0,0,0,0|0,0,2]=4 583 B8R0.6 C=CC(=O)NCCCCl b3fefab619db0213f8f1d61d24e52747 [0,2,0,0,0,0|0,0,2]=4 584 B8R0.6 C=CC(=O)NCCCO 971fc82f543bd7f497b8eaa8021aa4fb [0,2,0,0,0,0|0,0,2]=4 585 B8R0.6 C=CC(=O)NCCOC b4d5b95024e0e2b99e47a72a56678c9c [0,2,0,0,0,0|0,0,2]=4 586 B8R0.6 C=CC(=O)NCCSC a0da03e1803175b8dbc6aea3d0fc86fe [0,2,0,0,0,0|0,0,2]=4 587 B8R0.6 C=CC(=O)NCOCC a3acdb74bd061db7f0f50fdf176f3404 [0,2,0,0,0,0|0,0,2]=4 588 B8R0.6 C=CC(C)COCC#N f6b1029e285372ae7e0605851243c174 [0,2,0,0,0,0|1,0,1]=4 589 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [0,2,0,0,0,0|1,0,1]=4 590 B8R0.6 C=CC(C)COCCC 44d56174efc54cb83bc77db41ae3625b [0,2,0,0,0,0|1,0,0]=3 591 B8R0.6 C=CC(C)COCCF 52bd07118bb081edc55a2a545a753f00 [0,2,0,0,0,0|1,0,0]=3 592 B8R0.6 C=CC(C)COCCS 54add0fb8811a240b8fe42ef348cdf83 [0,2,0,0,0,0|1,0,0]=3 593 B8R0.6 C=CC(C)COCOC 36b22a073b85f5a3908a00fc993d396f [0,2,0,0,0,0|1,0,0]=3 594 B8R0.6 C=CC(C)COCSC d60c37c9b8b9544a4942aa0b359a9dd7 [0,2,0,0,0,0|1,0,0]=3 595 B8R0.6 C=CC(C)NC/C=C/C 3ebd305f80d0eef48b82ba2f2f79a757 [0,2,0,0,0,0|1,0,1]=4 596 B8R0.6 C=CC(C)NC/C=C\C a60e9b866134addf0e7bba21cae06bf7 [0,2,0,0,0,0|1,0,1]=4 597 B8R0.6 C=CC(C)NCC#CC 78e16e680d23cd2e7cd58c085241f642 [0,2,0,0,0,0|1,0,1]=4 598 B8R0.6 C=CC(C)NCC=CC 5cd0f6764943359222fc0226d62052a3 [0,2,0,0,0,0|1,0,1]=4 599 B8R0.6 C=CC(C)NCCC#N 862bbb94033c366c1e5a23a5f3d797bb [0,2,0,0,0,0|1,0,1]=4 600 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [0,2,0,0,0,0|1,0,1]=4 601 B8R0.6 C=CC(C)NCCCC d3c1bcd103c726a70c57dba401d7cda5 [0,2,0,0,0,0|1,0,0]=3 602 B8R0.6 C=CC(C)NCCCCl 2c0425a355b93be0cccbe28b5737630a [0,2,0,0,0,0|1,0,0]=3 603 B8R0.6 C=CC(C)NCCCF 81a11e1ce99b4e8f25c40cbbc2e8fee0 [0,2,0,0,0,0|1,0,0]=3 604 B8R0.6 C=CC(C)NCCCO 2d9cfab7f333bcb59c9f88b477754a7a [0,2,0,0,0,0|1,0,0]=3 605 B8R0.6 C=CC(C)NCCCS 17b570e4bd0573fa5e2cb191fe00ce05 [0,2,0,0,0,0|1,0,0]=3 606 B8R0.6 C=CC(C)NCCOC a710c3e2053d147ad52da620b12b4dba [0,2,0,0,0,0|1,0,0]=3 607 B8R0.6 C=CC(C)NCCON ed2f503e16ffb89e0dac84ef89b6d5f2 [0,2,0,0,0,0|2,0,0]=4 608 B8R0.6 C=CC(C)NCCSC 8425f511f44ba9a1b0ec38b4e3fde6ae [0,2,0,0,0,0|1,0,0]=3 609 B8R0.6 C=CC(C)NCOCC 82446d644bc5bc51b133501fed7cbaa9 [0,2,0,0,0,0|1,0,0]=3 610 B8R0.6 C=CC(C)OC/C=C/C aebdee5aafe913b6df3bb26f25910347 [0,2,0,0,0,0|1,0,1]=4 611 B8R0.6 C=CC(C)OC/C=C\C 3a53396281882a624be088094f92c47f [0,2,0,0,0,0|1,0,1]=4 612 B8R0.6 C=CC(C)OCC#CC 82e9de3a22e461456cf79f4ba712a618 [0,2,0,0,0,0|1,0,1]=4 613 B8R0.6 C=CC(C)OCC=CC 9191e9101695b30a824edf8bbd483f58 [0,2,0,0,0,0|1,0,1]=4 614 B8R0.6 C=CC(C)OCCC#N 41c567b20393f731447c885d2891aa28 [0,2,0,0,0,0|1,0,1]=4 615 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [0,2,0,0,0,0|1,0,1]=4 616 B8R0.6 C=CC(C)OCCCC 3812f369847623dc787403ff6cc0c7db [0,2,0,0,0,0|1,0,0]=3 617 B8R0.6 C=CC(C)OCCCF 391e75342a3a96d48fa172784afc3e86 [0,2,0,0,0,0|1,0,0]=3 618 B8R0.6 C=CC(C)OCCCS d82bea49057cfbf3bfb207fb972caab6 [0,2,0,0,0,0|1,0,0]=3 619 B8R0.6 C=CC(C)OCCOC 09d77702067eb13bcf91be584839041e [0,2,0,0,0,0|1,0,0]=3 620 B8R0.6 C=CC(C)OCCSC c47a8adc31b21580a72d0c35a8639530 [0,2,0,0,0,0|1,0,0]=3 621 B8R0.6 C=CC(C)OCOCC b3fe987ebcbd70b56a9292725d5f1628 [0,2,0,0,0,0|1,0,0]=3 622 B8R0.6 C=CC(O)CNCC#N 76d6768f7af787d55d6485d13fe2530e [0,2,0,0,0,0|0,0,1]=3 623 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [0,2,0,0,0,0|0,0,1]=3 624 B8R0.6 C=CC(O)CNCCC 250d400a4869db06d0ddc8aa5ab26738 [0,2,0,0,0,0|0,0,0]=2 625 B8R0.6 C=CC(O)CNCCF 0d4993498a1055847724e70ade581451 [0,2,0,0,0,0|0,0,0]=2 626 B8R0.6 C=CC(O)CNCCO 7f00d2ff0d27f8b814277143a2bc18f9 [0,2,0,0,0,0|0,0,0]=2 627 B8R0.6 C=CC(O)CNCCS 4e0c558cb75acbabb0690b53be293642 [0,2,0,0,0,0|0,0,0]=2 628 B8R0.6 C=CC(O)CNCOC 9e4daa80151f490572899ba2872e6457 [0,2,0,0,0,0|0,0,0]=2 629 B8R0.6 C=CC(O)CNCSC ccd36626b3942410e77d689a28d70952 [0,2,0,0,0,0|0,0,0]=2 630 B8R0.6 C=CCCNC(C)C=C 179131ef32d265cc53bf24485b5dc8f2 [0,2,0,0,0,0|1,0,1]=4 631 B8R0.6 C=CCCOC(C)C=C 91a0dff969d2c8970d5b63def8a13bb6 [0,2,0,0,0,0|1,0,1]=4 632 B8R0.6 C=CCCO[C@@H](C)C=C 56271c33fd2bf9c171b07a61fece43cc [0,2,0,0,0,0|1,0,1]=4 633 B8R0.6 C=CCNCC(O)C=C 75dc427957c2a57c3f167770f9ed3467 [0,2,0,0,0,0|0,0,1]=3 634 B8R0.6 C=CCOCC(C)C=C 5db5d2f554c677cc7c48ba3eef3d0aaa [0,2,0,0,0,0|1,0,1]=4 635 B8R0.6 C=C[C@H](C)OC/C=C/C d9c811e78410ea96eb828b68e437a452 [0,2,0,0,0,0|1,0,1]=4 636 B8R0.6 C=C[C@H](C)OC/C=C\C 736906b3237f70f0c6c14fbb4b396053 [0,2,0,0,0,0|1,0,1]=4 637 B8R0.6 C=C[C@H](C)OCC#CC b3efbbabd1e09b25e6104725d8a15722 [0,2,0,0,0,0|1,0,1]=4 638 B8R0.6 C=C[C@H](C)OCCC#N c910e676dc005678aff7c1f27e31dd90 [0,2,0,0,0,0|1,0,1]=4 639 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [0,2,0,0,0,0|1,0,1]=4 640 B8R0.6 C=C[C@H](C)OCCCC 6f75a1cf1960988ac4681ce717df1b6f [0,2,0,0,0,0|1,0,0]=3 641 B8R0.6 C=C[C@H](C)OCCCF f055e825519b792e80e87c473a2174e6 [0,2,0,0,0,0|1,0,0]=3 642 B8R0.6 C=C[C@H](C)OCCCS c53c343e3514792868d832724fd010d7 [0,2,0,0,0,0|1,0,0]=3 643 B8R0.6 C=C[C@H](C)OCCOC 10518672c3d1ae8f1a6ef4d9db274776 [0,2,0,0,0,0|1,0,0]=3 644 B8R0.6 C=C[C@H](C)OCCSC 8f4acec3cd799969e87a449279b388d4 [0,2,0,0,0,0|1,0,0]=3 645 B8R0.6 C=C[C@H](C)OCOCC 0e2d8b797005792bb10559c557f6c5b7 [0,2,0,0,0,0|1,0,0]=3 646 B8R0.6 CC(C=O)NCCCCl 0d8db3a83469f62234c1856a431acaf4 [0,2,0,0,0,0|2,0,0]=4 647 B8R0.6 CC(C=O)NCCCO f3e3ec90d7bece69f286a3910d2673a3 [0,2,0,0,0,0|2,0,0]=4 648 B8R0.6 CC(C=O)OCCCF 408a8a894fa836110edbe4772bda1c05 [0,2,0,0,0,0|2,0,0]=4 649 B8R0.6 CC(C=O)OCCCS 1b21635ff592fc3c755d4caa250cdcb4 [0,2,0,0,0,0|2,0,0]=4 650 B8R0.6 CCC(O)CNCCBr e2edc0ed761b04f9e42e0bfe3130b7c4 [0,2,0,0,0,0|0,0,2]=4 651 B8R0.6 CCC(O)CNCCF 7c3f9931d25397f538ac2b825e8e2390 [0,2,0,0,0,0|0,0,2]=4 652 B8R0.6 CCC(O)CNCCI ec21990b8ca8b131d3bfcc4fdea9ff92 [0,2,0,0,0,0|0,0,2]=4 653 B8R0.6 CCC(O)CNCCO 0f04ff5d22921fddd4b4780d1da4ee6b [0,2,0,0,0,0|0,0,2]=4 654 B8R0.6 CCC(O)CNCCS af4d3531d9811cf0462def51ad90232b [0,2,0,0,0,0|0,0,2]=4 655 B8R0.6 CCC(O)CNCOC 7e726222b7d1cf65b1b34e06014a8122 [0,2,0,0,0,0|0,0,2]=4 656 B8R0.6 CCC(O)CNCSC 90eb85890f9346ff85a79d6fda8b686c [0,2,0,0,0,0|0,0,2]=4 657 B8R0.6 CCCCNC(C)C=O c990dbf02cb6f8344eb0c4b5b1c5bf1a [0,2,0,0,0,0|2,0,0]=4 658 B8R0.6 CCCCN[C@H](C)C=O a8c57992d16bbaafdc8ecce6752aa20e [0,2,0,0,0,0|2,0,0]=4 659 B8R0.6 CCCCOC(C)C=O 3da272a8eb2eb108a59ce2b6af2c590a [0,2,0,0,0,0|2,0,0]=4 660 B8R0.6 CCCCO[C@H](C)C=O e407b3f8d89671debf616b7fa7dc0ddb [0,2,0,0,0,0|2,0,0]=4 661 B8R0.6 CCCNCC(O)CC 418992374fd97112480430826829281d [0,2,0,0,0,0|0,0,2]=4 662 B8R0.6 CCCNCC(O)CF 6b148f8c0ee064ed8d543b5039e523f2 [0,2,0,0,0,0|1,0,1]=4 663 B8R0.6 CCCNCC(O)CO ef4d49b8ea36802719349f3b133e1e99 [0,2,0,0,0,0|1,0,1]=4 664 B8R0.6 CCCNC[C@@H](O)CO dafe9b91bd25493db5b4fd00556e2ba2 [0,2,0,0,0,0|1,0,1]=4 665 B8R0.6 CCCNC[C@H](O)CC 9211d5b7ca8f98bcbe3545d0e681e4b6 [0,2,0,0,0,0|0,0,2]=4 666 B8R0.6 CCCNC[C@H](O)CO 96300a66a4a3502656d1a73cb7a7e894 [0,2,0,0,0,0|1,0,1]=4 667 B8R0.6 CCCOCC(O)CO e3d68b35eac8a2da37baf7fe7e391754 [0,2,0,0,0,0|1,0,1]=4 668 B8R0.6 CCCOC[C@@H](O)CO 292517bf917aa7914b143c3ebbc55ed5 [0,2,0,0,0,0|1,0,1]=4 669 B8R0.6 CCCOC[C@H](O)CO ae68310a2d1586d5cf02e87027d392be [0,2,0,0,0,0|1,0,1]=4 670 B8R0.6 CCNCCC(O)CO 922f46c9d655f5bd845de1a77bb9960c [0,2,0,0,0,0|1,0,1]=4 671 B8R0.6 CCOCOC(C)C=O 5cb78e20849eab5525da894ea8af7e0c [0,2,0,0,0,0|2,0,0]=4 672 B8R0.6 CC[C@@H](O)CNCCF ab2179a61a0061db8ccb5d6628318056 [0,2,0,0,0,0|0,0,2]=4 673 B8R0.6 CC[C@@H](O)CNCCO 2d13f38d004c7cf2314b4c12b78a382f [0,2,0,0,0,0|0,0,2]=4 674 B8R0.6 CC[C@@H](O)CNCCS f07a3a4faf31bc76369ee3588298a97a [0,2,0,0,0,0|0,0,2]=4 675 B8R0.6 CC[C@@H](O)CNCOC c15579c32ff0b418e45b4ce562e1544d [0,2,0,0,0,0|0,0,2]=4 676 B8R0.6 CC[C@@H](O)CNCSC 602f6216f9b7c4d64254ea6d16f3608f [0,2,0,0,0,0|0,0,2]=4 677 B8R0.6 COCCNC(C)C=O b04cbb0a4cdf90a8659326a2cf39eb2e [0,2,0,0,0,0|2,0,0]=4 678 B8R0.6 COCCN[C@H](C)C=O 07f0113f3333cc700db2bdba012dc811 [0,2,0,0,0,0|2,0,0]=4 679 B8R0.6 COCCOC(C)C=O 2a67c0ff4cec0a7502a789fa42942c5d [0,2,0,0,0,0|2,0,0]=4 680 B8R0.6 COCCO[C@H](C)C=O 0298f0978f907e5e704651f508aa22b0 [0,2,0,0,0,0|2,0,0]=4 681 B8R0.6 COCNCC(O)CO f34d96d8e4b68d1058fd44662e3e2171 [0,2,0,0,0,0|1,0,1]=4 682 B8R0.6 COCNC[C@@H](O)CO d03c7948f8713a4dcb41d4452ede6ace [0,2,0,0,0,0|1,0,1]=4 683 B8R0.6 COCNC[C@H](O)CO ef23d47a36d140c4af988d3ff04c8ad3 [0,2,0,0,0,0|1,0,1]=4 684 B8R0.6 COCOCC(O)CO 4362e0a65d2987caa67ddd9f8dca3e6f [0,2,0,0,0,0|1,0,1]=4 685 B8R0.6 COCOC[C@@H](O)CO c3e8fda1105283052f872560b7347fec [0,2,0,0,0,0|1,0,1]=4 686 B8R0.6 COCOC[C@H](O)CO f5c2a14fa6c66c5e35a3f6f7277438fa [0,2,0,0,0,0|1,0,1]=4 687 B8R0.6 CSCCNC(C)C=O 286c4e550db8cb5119661e7962d8357e [0,2,0,0,0,0|2,0,0]=4 688 B8R0.6 CSCCN[C@H](C)C=O 768bae1d4934c91a34c8e3922ada33b7 [0,2,0,0,0,0|2,0,0]=4 689 B8R0.6 CSCCOC(C)C=O 8eef5310c6a16cef75ae44a0d99083e0 [0,2,0,0,0,0|2,0,0]=4 690 B8R0.6 CSCCO[C@H](C)C=O 9648e4c84642a1c7a6b140c2bb515679 [0,2,0,0,0,0|2,0,0]=4 691 B8R0.6 CSCNCC(O)CO cb05f125dcbccb30b28b53900d8a0755 [0,2,0,0,0,0|1,0,1]=4 692 B8R0.6 CSCNC[C@@H](O)CO d50aeb52d7e9e038cf848ed9329fb9af [0,2,0,0,0,0|1,0,1]=4 693 B8R0.6 CSCNC[C@H](O)CO 543435a3cd29a0d217aec1eaeca7cd36 [0,2,0,0,0,0|1,0,1]=4 694 B8R0.6 C[C@H](C=O)NCCCCl c9aa0b7b106e210f3da0b2a7b7b494b0 [0,2,0,0,0,0|2,0,0]=4 695 B8R0.6 C[C@H](C=O)NCCCO 8f472ce1305fcb3f83b357c37349df87 [0,2,0,0,0,0|2,0,0]=4 696 B8R0.6 C[C@H](C=O)OCCCF bdc4dc4cbe2cde044d3c10a313632ac7 [0,2,0,0,0,0|2,0,0]=4 697 B8R0.6 C[C@H](C=O)OCCCS 9971ffaf5c0c56ccc1660bb6715f0a74 [0,2,0,0,0,0|2,0,0]=4 698 B8R0.6 OC(CF)CNCCBr e2c1408e25a44b6932edb2be746900e3 [0,2,0,0,0,0|1,0,1]=4 699 B8R0.6 OC(CF)CNCCF c225cb98c86411ffda99f751f7b49303 [0,2,0,0,0,0|1,0,1]=4 700 B8R0.6 OC(CF)CNCCI f15bd7c7d12035ee4db1d06a44e576a8 [0,2,0,0,0,0|1,0,1]=4 701 B8R0.6 OC(CF)CNCCS 748ff82e8c92c38cb89a0edd56be368e [0,2,0,0,0,0|1,0,1]=4 702 B8R0.6 OCC(O)CCNCF 6ae225196f47d62edfde75946a275dce [0,2,0,0,0,0|1,0,1]=4 703 B8R0.6 OCC(O)CNCCBr 48456846c30fb2cd80410df91ba922cd [0,2,0,0,0,0|1,0,1]=4 704 B8R0.6 OCC(O)CNCCF 486ad0be20ac234fb97d554cd4725cdb [0,2,0,0,0,0|1,0,1]=4 705 B8R0.6 OCC(O)CNCCI ab7c4efe16eae56960cfd4f29da1069e [0,2,0,0,0,0|1,0,1]=4 706 B8R0.6 OCC(O)CNCCS 1b433268079bae75a899d333ee138ba8 [0,2,0,0,0,0|1,0,1]=4 707 B8R0.6 OCC(O)COCCF 91309beab62a92e3962cdec5b23bbec6 [0,2,0,0,0,0|1,0,1]=4 708 B8R0.6 OCC(O)COCCS 11c4145305017c20d95afef8228be481 [0,2,0,0,0,0|1,0,1]=4 709 B8R0.6 OCCNCC(O)CF 055c6757713e7b161c53f55599d9e270 [0,2,0,0,0,0|1,0,1]=4 710 B8R0.6 OCCNCC(O)CO 2bd81f0952b437dd5d8c74e7e9498d67 [0,2,0,0,0,0|1,0,1]=4 711 B8R0.6 OCCNC[C@@H](O)CO 3a70652799d086adb423c669e6a10903 [0,2,0,0,0,0|1,0,1]=4 712 B8R0.6 OCCNC[C@H](O)CO 23828904787e116a56e14e243225b589 [0,2,0,0,0,0|1,0,1]=4 713 B8R0.6 OCNCCC(O)CO ab112e92fa7cfd97de47cb5c63a031d1 [0,2,0,0,0,0|1,0,1]=4 714 B8R0.6 OC[C@@H](O)CNCCBr 52f574822f1298d63a718b1dee2a4aaf [0,2,0,0,0,0|1,0,1]=4 715 B8R0.6 OC[C@@H](O)CNCCF 450926fc7ce18700450c0b4c4bd1c0d5 [0,2,0,0,0,0|1,0,1]=4 716 B8R0.6 OC[C@@H](O)CNCCI 31bcea4d23bdd252f39e029d81fc1798 [0,2,0,0,0,0|1,0,1]=4 717 B8R0.6 OC[C@@H](O)CNCCS 30f3b5378aa5b2a47490fac8435ddd30 [0,2,0,0,0,0|1,0,1]=4 718 B8R0.6 OC[C@@H](O)COCCF 68d80ce8e60326c47efc2884d2701380 [0,2,0,0,0,0|1,0,1]=4 719 B8R0.6 OC[C@@H](O)COCCS 8eeeb5965531d9c08bb7cf1971a2b79f [0,2,0,0,0,0|1,0,1]=4 720 B8R0.6 OC[C@H](O)CNCCBr 859058731099b8f26ddf9f9d530149c2 [0,2,0,0,0,0|1,0,1]=4 721 B8R0.6 OC[C@H](O)CNCCF e342de38ae2803b296d0aa7f308aa239 [0,2,0,0,0,0|1,0,1]=4 722 B8R0.6 OC[C@H](O)CNCCI 801400b956b9ae578f0f68405c58f9e8 [0,2,0,0,0,0|1,0,1]=4 723 B8R0.6 OC[C@H](O)CNCCS 3b4563590bbd3562521224e97a0dd6f5 [0,2,0,0,0,0|1,0,1]=4 724 B8R0.6 OC[C@H](O)COCCF a74dc5b935c262c75710fe9902cacfdd [0,2,0,0,0,0|1,0,1]=4 725 B8R0.6 OC[C@H](O)COCCS c083125ce8b89ea9b3c6795662743fb9 [0,2,0,0,0,0|1,0,1]=4 726 B8R0.8 C=C(Br)C(=O)NCCC 2837c9555b8dd6316a0bf9942b0335eb [0,2,0,0,0,0|0,0,2]=4 727 B8R0.8 C=C(C)C(=O)NCCC 2afd5e95dd9734696b78b1287c8e40c3 [0,2,0,0,0,0|0,0,2]=4 728 B8R0.8 C=C(Cl)C(=O)NCCC 7fabd2186cb29ffd4c2fa87ca91a4c93 [0,2,0,0,0,0|0,0,2]=4 729 B8R0.8 C=C(F)C(=O)NCCC 94823a38af8f5e8e7e73928fc821ff79 [0,2,0,0,0,0|0,0,2]=4 730 B8R0.8 CCCNC(C)C(=O)C 6c20f55484fcd603f7867a7e61cb3d7e [0,2,0,0,0,0|1,0,1]=4 731 B8R0.8 CCCNC(C)C(=O)N b2fc625c38ab8c709841d5c7372d4adf [0,2,0,0,0,0|2,0,0]=4 732 B8R0.8 CCCNC(C)C(=O)O 0bb3e38e8c1f88931a7fe4405f55b48f [0,2,0,0,0,0|2,0,0]=4 733 B8R0.8 CCCNC(F)C(=O)N 887433dddf04b7504891cb2e153136a8 [0,2,0,0,0,0|2,0,0]=4 734 B8R0.8 CCCNC(O)C(=O)O cc97d4d167b9765bc7e9641f2f876d2e [0,2,0,0,0,0|1,0,0]=3 735 B8R0.8 CCCN[C@@H](C)C(=O)N 02dd18b86b56ba975cc40a36af64e278 [0,2,0,0,0,0|2,0,0]=4 736 B8R0.8 CCCN[C@@H](C)C(=O)O ef0370d06100564dc30ac92abf332f2f [0,2,0,0,0,0|2,0,0]=4 737 B8R0.8 CCCN[C@H](C)C(=O)N 99c67abc53ca408bd7a07e11216e0931 [0,2,0,0,0,0|2,0,0]=4 738 B8R0.8 CCCN[C@H](C)C(=O)O a8f2478751dbbc6b16132b4c2221ee6f [0,2,0,0,0,0|2,0,0]=4 739 B8R0.8 CCCOC(C)C(=O)C f2ac291285b506c3aa995ed18a49b95f [0,2,0,0,0,0|1,0,1]=4 740 B8R0.8 CCCOC(C)C(=O)N 960017c2975c35a65e9a919d09986bae [0,2,0,0,0,0|2,0,0]=4 741 B8R0.8 CCCOC(C)C(=O)O 1322f7b5e7c49e969524d97c6c86e731 [0,2,0,0,0,0|2,0,0]=4 742 B8R0.8 CCCOC(F)C(=O)N e307f7bcd27dd26468887c129da73e20 [0,2,0,0,0,0|2,0,0]=4 743 B8R0.8 CCCO[C@@H](C)C(=O)N b8c1d5a3f29f788c88f92112d4a6c2ab [0,2,0,0,0,0|2,0,0]=4 744 B8R0.8 CCCO[C@@H](C)C(=O)O 6d34f6dc5dea70a72e909784584aa3d0 [0,2,0,0,0,0|2,0,0]=4 745 B8R0.8 CCCO[C@H](C)C(=O)N ca342d08f32f80afdbcc627d7b3ff5e4 [0,2,0,0,0,0|2,0,0]=4 746 B8R0.8 CCCO[C@H](C)C(=O)O c80966cb853c5464154df7c1b20e2fad [0,2,0,0,0,0|2,0,0]=4 747 B8R0.8 CCNCC(C)C(=O)O f1d53d3e850c3e5f7eacfd1722a00821 [0,2,0,0,0,0|2,0,0]=4 748 B8R0.8 CCNCC(F)C(=O)O 3b295cc4c966015ef89d181bb2cf0fd1 [0,2,0,0,0,0|2,0,0]=4 749 B8R0.8 CCNCC(O)C(=O)O 199a2ff9ee4d2808377aac2de3a1300d [0,2,0,0,0,0|1,0,0]=3 750 B8R0.8 CCNCC(O)C(C)C f8af42d48f65ab067207d55022c8343a [0,2,0,0,0,0|0,0,2]=4 751 B8R0.8 CCNCC(O)C(F)F 4195e393f381e12facb2c706d4ee4413 [0,2,0,0,0,0|1,0,1]=4 752 B8R0.8 CCNC[C@@H](C)C(=O)O c248e05b45d9e657c31f93c9072982c9 [0,2,0,0,0,0|2,0,0]=4 753 B8R0.8 CCNC[C@@H](O)C(=O)O 0b3a1c0d41c6b74588ef5eb637fd0fb0 [0,2,0,0,0,0|1,0,0]=3 754 B8R0.8 CCNC[C@H](C)C(=O)O 0c2e6d5b0da6964440e6e3ec89c9de07 [0,2,0,0,0,0|2,0,0]=4 755 B8R0.8 CCNC[C@H](O)C(=O)O 8f48edbc7af4278b5a62e9966729660b [0,2,0,0,0,0|1,0,0]=3 756 B8R0.8 CCOCC(C)C(=O)C 7ed02ca7a024702f528cad10b88a8859 [0,2,0,0,0,0|1,0,1]=4 757 B8R0.8 CCOCC(C)C(=O)O c058fb39790cebd08b409e3f0067a53c [0,2,0,0,0,0|2,0,0]=4 758 B8R0.8 CCOC[C@@H](C)C(=O)O caa5ba1722b2330e21dcd6c456bf8574 [0,2,0,0,0,0|2,0,0]=4 759 B8R0.8 CCOC[C@H](C)C(=O)O 3f7f39bbd0ce3dcf45d784eca89b738a [0,2,0,0,0,0|2,0,0]=4 760 B8R0.8 COCNC(O)C(=O)O c63f3dcbd9e54c8057b6fa82b7adfdd8 [0,2,0,0,0,0|2,0,0]=4 761 B8R0.8 CSCNC(O)C(=O)O 1719d5d27357fbe544a3b6bde16529a0 [0,2,0,0,0,0|2,0,0]=4 762 B8R0.8 O=C(O)C(O)CNCF b50e1442b5c6266934863854576a8d3d [0,2,0,0,0,0|2,0,0]=4 763 B8R0.8 O=C(O)C(O)CNCO 898dc7e3ebc74408e9fbb99b51d98f75 [0,2,0,0,0,0|2,0,0]=4 764 B8R0.8 O=C(O)C(O)NCCF f448ef4ffbf11843dbee1bb8436d2a0c [0,2,0,0,0,0|2,0,0]=4 765 B8R0.8 O=C(O)C(O)NCCO 698911e1d3457f5b9e37a340d950957a [0,2,0,0,0,0|2,0,0]=4 766 B8R0.8 O=C(O)C(O)NCCS 5346421c4abaa0529702e1282d1c5a95 [0,2,0,0,0,0|2,0,0]=4 767 B8R0.8 O=C(O)[C@@H](O)CNCF dfc3ee5c735555d7aca49144f695826d [0,2,0,0,0,0|2,0,0]=4 768 B8R0.8 O=C(O)[C@@H](O)CNCO cdd1082cc3946b226b2ffbc1066fef89 [0,2,0,0,0,0|2,0,0]=4 769 B8R0.8 O=C(O)[C@H](O)CNCF 5dbad60ab052faf0f2f5f615bfe59344 [0,2,0,0,0,0|2,0,0]=4 770 B8R0.8 O=C(O)[C@H](O)CNCO 71211b0d7c7b20837b97e49988848369 [0,2,0,0,0,0|2,0,0]=4 771 B8R0.9 C=CC(=O)NCC(C)C 9fff6936d747446fa6c6ac1bd8338bdd [0,2,0,0,0,0|0,0,2]=4 772 B8R0.9 C=CC(=O)NCC(C)O fa01455d59425b08f532ebd991dbb1af [0,2,0,0,0,0|0,0,2]=4 773 B8R0.9 C=CC(=O)NC[C@@H](C)O 60f11a39a2f100903af1f56f3c922ad0 [0,2,0,0,0,0|0,0,2]=4 774 B8R0.9 C=CC(=O)NC[C@H](C)O c21baab8154cbdc7ba440bfa062d6fdc [0,2,0,0,0,0|0,0,2]=4 775 B8R0.9 C=CC(C)COC(C)C 19cf5fe9d616c2621a235c9cc79e808d [0,2,0,0,0,0|1,0,0]=3 776 B8R0.9 C=CC(C)NCC(=C)C 0eca40f29db4f236b1c1ddaee93e9a36 [0,2,0,0,0,0|1,0,1]=4 777 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,2,0,0,0,0|1,0,1]=4 778 B8R0.9 C=CC(C)NCC(C)C 7a35880eed0ef215a0c00470a636579c [0,2,0,0,0,0|1,0,0]=3 779 B8R0.9 C=CC(C)NCC(C)O 5144cb9722b00c930d39b008230dd71b [0,2,0,0,0,0|1,0,0]=3 780 B8R0.9 C=CC(C)NCC(F)F 957776446ddf9b9bc5cbdb6a868fb2b9 [0,2,0,0,0,0|2,0,0]=4 781 B8R0.9 C=CC(C)NCN(C)C ae3b99b0f4071460e357fa6d8f963404 [0,2,0,0,0,0|2,0,0]=4 782 B8R0.9 C=CC(C)NC[C@@H](C)O 6cab4c064f4e4a3576f4614dc457cfe2 [0,2,0,0,0,0|1,0,0]=3 783 B8R0.9 C=CC(C)NC[C@H](C)O aa1119f23f12ec0262686c78c2712eec [0,2,0,0,0,0|1,0,0]=3 784 B8R0.9 C=CC(C)OCC(=C)C 0d3391aea882dd5c3878f3b3d582478c [0,2,0,0,0,0|1,0,1]=4 785 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,2,0,0,0,0|1,0,1]=4 786 B8R0.9 C=CC(C)OCC(C)C 71af5c71e84583a0ab5121668b3ae2e9 [0,2,0,0,0,0|1,0,0]=3 787 B8R0.9 C=CC(C)OCC(C)F 0042c0a7d8106728b1eea817db903cdd [0,2,0,0,0,0|1,0,0]=3 788 B8R0.9 C=CC(C)OCC(C)S e29952298d4142c307e95f6fe542e21e [0,2,0,0,0,0|1,0,0]=3 789 B8R0.9 C=CC(C)OCC(F)F b9bca156f0ef2232e6a9add62a919f15 [0,2,0,0,0,0|2,0,0]=4 790 B8R0.9 C=CC(C)OCN(C)C 3433af02a0a20dd7a0746ce0bc4549e6 [0,2,0,0,0,0|2,0,0]=4 791 B8R0.9 C=CC(C)OC[C@@H](C)F d2223c8cf7072146d3527eed3a3a161d [0,2,0,0,0,0|1,0,0]=3 792 B8R0.9 C=CC(C)OC[C@H](C)F 5080369e03b7a37278437f5c44a0145f [0,2,0,0,0,0|1,0,0]=3 793 B8R0.9 C=CC(O)CNC(=O)C 81607a1da75c9494462df99b512c5607 [0,2,0,0,0,0|0,0,1]=3 794 B8R0.9 C=CC(O)CNC(C)C 254002c1439ccf47813784fa50338918 [0,2,0,0,0,0|0,0,0]=2 795 B8R0.9 C=C[C@H](C)OCC(=C)C 36bf8fb48505495f4a9f1836e7a25b25 [0,2,0,0,0,0|1,0,1]=4 796 B8R0.9 C=C[C@H](C)OCC(C)C 275b6c20fe3580ee4a4871d9838c8c79 [0,2,0,0,0,0|1,0,0]=3 797 B8R0.9 C=C[C@H](C)OCC(F)F c450cffaa8f3f925bca0f143542c7ad5 [0,2,0,0,0,0|2,0,0]=4 798 B8R0.9 C=C[C@H](C)OCN(C)C 6c737237117448901a74fb150c9f766a [0,2,0,0,0,0|2,0,0]=4 799 B8R0.9 CC(C)CNC(C)C=O 03449348422393b4e0bdd254036a8d58 [0,2,0,0,0,0|2,0,0]=4 800 B8R0.9 CC(C)CN[C@H](C)C=O 7c782c131d4d366690f182c8ead9a413 [0,2,0,0,0,0|2,0,0]=4 801 B8R0.9 CC(C)COC(C)C=O 0b8c6cf115c2322fa1674f79e1d3c4dd [0,2,0,0,0,0|2,0,0]=4 802 B8R0.9 CC(C)CO[C@H](C)C=O 5c45a366049badd5e36b154ae522c338 [0,2,0,0,0,0|2,0,0]=4 803 B8R0.9 CC(C)NCC(O)CO c4c4b95ef9e7e99b58507370307de3cd [0,2,0,0,0,0|1,0,1]=4 804 B8R0.9 CC(C)NC[C@@H](O)CO 4ed7ffd88ee5a4ec2e5ace2cbcdac84e [0,2,0,0,0,0|1,0,1]=4 805 B8R0.9 CC(C)NC[C@H](O)CO a6cbe2fe699ae5eae98d67fbc9aac7de [0,2,0,0,0,0|1,0,1]=4 806 B8R0.9 CC(C)OCC(O)CO 0e89e061c2e4cf11ff7262059210fdde [0,2,0,0,0,0|1,0,1]=4 807 B8R0.9 CC(C)OC[C@@H](O)CO 3849c2737d80ec90a6ea6c8da3ef06fb [0,2,0,0,0,0|1,0,1]=4 808 B8R0.9 CC(C)OC[C@H](O)CO 24bdf2b3dd73700f7d482e7b53b23924 [0,2,0,0,0,0|1,0,1]=4 809 B8R0.9 CC(C=O)NC[C@@H](C)O d6dc2629bd4430c3bd67a8f081c11379 [0,2,0,0,0,0|2,0,0]=4 810 B8R0.9 CC(C=O)NC[C@H](C)O 7869ad4f3cbe7e38dea9b0d6c90c6141 [0,2,0,0,0,0|2,0,0]=4 811 B8R0.9 CC(C=O)OC[C@@H](C)F 44348d98ecea104d30821f34423bd4e0 [0,2,0,0,0,0|2,0,0]=4 812 B8R0.9 CC(C=O)OC[C@H](C)F 9637178c90bdbe6a1061955c6d3c749b [0,2,0,0,0,0|2,0,0]=4 813 B8R0.9 CC(F)COC(C)C=O a88f9eb602b828f938892defccbfe947 [0,2,0,0,0,0|2,0,0]=4 814 B8R0.9 CC(F)CO[C@H](C)C=O ab2b879912e041805a15c42eb98ff36e [0,2,0,0,0,0|2,0,0]=4 815 B8R0.9 CC(O)CNC(C)C=O 383ad87f47185da30b4a1f76d3fc6516 [0,2,0,0,0,0|2,0,0]=4 816 B8R0.9 CC(O)CN[C@H](C)C=O 8a0a71f4d2dc211ad7713289d588e2ee [0,2,0,0,0,0|2,0,0]=4 817 B8R0.9 CC(S)COC(C)C=O 3be1d5c17e9ab7f7a6674fa02b1f8eb9 [0,2,0,0,0,0|2,0,0]=4 818 B8R0.9 CC(S)CO[C@H](C)C=O 6171e06cfb5a5db48bbba1b7f4375842 [0,2,0,0,0,0|2,0,0]=4 819 B8R0.9 CCC(O)CNC(C)C 71d0e78d5d3d6ddfb7afb7fb5ab010cd [0,2,0,0,0,0|0,0,2]=4 820 B8R0.9 CC[C@@H](O)CNC(C)C 0b13dd23b5427cc29a52929b73be7d43 [0,2,0,0,0,0|0,0,2]=4 821 B8R0.9 C[C@H](C=O)NC[C@@H](C)O e7c9c037399ac257f04fd04c210bf172 [0,2,0,0,0,0|2,0,0]=4 822 B8R0.9 C[C@H](C=O)OC[C@@H](C)F 1f5893c2e9eac3fefa5fe404e93fe70a [0,2,0,0,0,0|2,0,0]=4 823 B8R0.9 C[C@H](F)CO[C@H](C)C=O 02995616d1e99566d5726c66b80d922d [0,2,0,0,0,0|2,0,0]=4 824 B8R0.9 C[C@H](O)CN[C@H](C)C=O 53b9e59588b92175a902e97408217ade [0,2,0,0,0,0|2,0,0]=4 825 B8R0.11 C#CC(C=C)OCCC 014d44756b52de3dcfb3ac07bca77abe [0,2,0,0,0,0|1,0,0]=3 826 B8R0.11 C#CC(C=C)OCCF 01c73c4fdf0bfc2cbb71eda8f9ad49e5 [0,2,0,0,0,0|2,0,0]=4 827 B8R0.11 C#CC(C=C)OCCS 44a1ebe442ddd67d72e6af6aa9dddbb7 [0,2,0,0,0,0|2,0,0]=4 828 B8R0.11 C#CC(C=C)OCOC c55ef1d2844bbc2e6ac1940ecbe62148 [0,2,0,0,0,0|2,0,0]=4 829 B8R0.11 C#CC(C=C)OCSC 5ac63bed14acf9d4302d27508fd8b8c6 [0,2,0,0,0,0|2,0,0]=4 830 B8R0.11 C#CCN[C@@H](C=C)CO 456cb9a971b2be86a1ea9d518f263c7c [0,2,0,0,0,0|0,0,2]=4 831 B8R0.11 C=CC(C=C)OCCC 0eb8e1875fc000470def9b6dcff1b924 [0,2,0,0,0,0|1,0,0]=3 832 B8R0.11 C=CC(C=C)OCCF 353936957364b759bb77d9d6d693be37 [0,2,0,0,0,0|2,0,0]=4 833 B8R0.11 C=CC(C=C)OCCS 36374a312a29017e27cd90441c86ce97 [0,2,0,0,0,0|2,0,0]=4 834 B8R0.11 C=CC(C=C)OCOC 5666c635c087a4e11ddbf21c90e2c7df [0,2,0,0,0,0|2,0,0]=4 835 B8R0.11 C=CC(C=C)OCSC 26192961af28ce70a8cc356e931c2a5b [0,2,0,0,0,0|2,0,0]=4 836 B8R0.11 C=CC(CC)OCCC 105fea4587e7e9d452a89f90aa2748e8 [0,2,0,0,0,0|1,0,0]=3 837 B8R0.11 C=CC(CC)OCCF 111d3d9408db9e7004d21878ee3769fd [0,2,0,0,0,0|2,0,0]=4 838 B8R0.11 C=CC(CC)OCCS 609e6a905685795ee0729035c337410f [0,2,0,0,0,0|2,0,0]=4 839 B8R0.11 C=CC(CC)OCOC 2705b37ec86e92e63729e769ccc0ecb9 [0,2,0,0,0,0|2,0,0]=4 840 B8R0.11 C=CC(CC)OCSC 8ad41cd97e56cb5ea78fa59e1c98869b [0,2,0,0,0,0|2,0,0]=4 841 B8R0.11 C=CCN[C@@H](C=C)CO ea4e290d64c2b0479b5ef64f282e8fb5 [0,2,0,0,0,0|0,0,2]=4 842 B8R0.11 C=C[C@@H](CO)NCC#N a38c16aa1431c2d5f60ef319a05c3c78 [0,2,0,0,0,0|1,0,1]=4 843 B8R0.11 C=C[C@@H](CO)NCC=O 96c62156ed48d64dc2a89031f5b19033 [0,2,0,0,0,0|1,0,1]=4 844 B8R0.11 C=C[C@@H](CO)NCCC dbf80c876fbb8dcf06535205d9e2b255 [0,2,0,0,0,0|0,0,0]=2 845 B8R0.11 C=C[C@@H](CO)NCCF 7360bfe71c6608a9714d8065c084a0de [0,2,0,0,0,0|1,0,0]=3 846 B8R0.11 C=C[C@@H](CO)NCCO 70da69a0d043cb17907bdb5cbae75f95 [0,2,0,0,0,0|1,0,0]=3 847 B8R0.11 C=C[C@@H](CO)NCCS f674ac0aa0e41fadcc5d0177ae3ce30f [0,2,0,0,0,0|1,0,0]=3 848 B8R0.11 C=C[C@@H](CO)NCOC 0153530615bf1a82e20beea532a20ae7 [0,2,0,0,0,0|1,0,0]=3 849 B8R0.11 C=C[C@@H](CO)NCSC de61dd601a1d75bc767e90a7378569d3 [0,2,0,0,0,0|1,0,0]=3 850 B8R0.11 CCCNC(C#N)C=O bb6eeeeb0f4e88a5ae86d21120ed4af3 [0,2,0,0,0,0|2,0,0]=4 851 B8R0.11 CCCNC(C=O)C=O 61c64ea3c5c386d29c1c97169c33ddfe [0,2,0,0,0,0|1,0,1]=4 852 B8R0.11 CCCNC(C=O)CC 8b5e0e2daf5f0f35115de8e725402fa5 [0,2,0,0,0,0|2,0,0]=4 853 B8R0.11 CCCNC(CC)CO 18fc997e699e711c2231a1e18c184815 [0,2,0,0,0,0|0,0,2]=4 854 B8R0.11 CCCNC(CO)CO 00a487eecd6e21acf35e21d6fc5bcc45 [0,2,0,0,0,0|1,0,1]=4 855 B8R0.11 CCCN[C@@H](CC)CO f14436f2737b9dbc3051d6d9b364b94f [0,2,0,0,0,0|0,0,2]=4 856 B8R0.11 CCCN[C@H](CC)CO 81a649534946bc6ce248c71efca3ef7e [0,2,0,0,0,0|0,0,2]=4 857 B8R0.11 CCCOC(C=O)C=O 07af7786a553a96d7cd2f6465c693e9f [0,2,0,0,0,0|1,0,1]=4 858 B8R0.11 CCCOC(C=O)CC 5c5bd3caba387b7aed9948606b55ead9 [0,2,0,0,0,0|2,0,0]=4 859 B8R0.11 CCCOC(CO)CO 3fab4738851b0062dfd9d64d8b9970f3 [0,2,0,0,0,0|1,0,1]=4 860 B8R0.11 CCNCC(CC)CO af6af2e10d8202238ef5944a294c025c [0,2,0,0,0,0|0,0,2]=4 861 B8R0.11 CCNCC(CO)CO 78f9a8f41e658c533084dd84cea09cea [0,2,0,0,0,0|1,0,1]=4 862 B8R0.11 CCNCC(OC)OC 26fa377ed2d7d3b7dcf0856e2500bca6 [0,2,0,0,0,0|1,0,1]=4 863 B8R0.11 CCNC[C@H](CO)OC f1b838e35b3971f2096ee819dd16e94f [0,2,0,0,0,0|1,0,1]=4 864 B8R0.11 CCOCC(CC)OC 77f87423c25a9b6cc7e7d85adf6c40fb [0,2,0,0,0,0|0,0,2]=4 865 B8R0.11 CCOCC(OC)OC b71dbc024373adcdb0cb2f1e19de9934 [0,2,0,0,0,0|1,0,1]=4 866 B8R0.25 C=CC(C)(C)COCC 092152ae0505f84656e6afc6a71d8bf4 [0,2,0,0,0,0|1,0,0]=3 867 B8R0.25 C=CC(C)(C)COCF 3c6dec0bb3cfb114956f64665b34fae4 [0,2,0,0,0,0|2,0,0]=4 868 B8R0.25 CCNCC(C)(O)CC 05a77a31f97cf4dd6fcb6c8791dfcc13 [0,2,0,0,0,0|0,0,2]=4 869 B8R0.25 CCOCC(C)(C)C=O afc3613500561350cd2dee2c25c83151 [0,2,0,0,0,0|2,0,0]=4 870 B8R0.15 C=CC(NCC)C(=O)O b4ac7d60381bf72b1b23118f771cafec [0,2,0,0,0,0|1,0,0]=3 871 B8R0.15 C=CC(NCF)C(=O)O 3b1cadf10156d31d21dabae90070459b [0,2,0,0,0,0|2,0,0]=4 872 B8R0.15 C=CC(NCO)C(=O)O 02434f0cc2ab88a157fbbfde94d9a490 [0,2,0,0,0,0|2,0,0]=4 873 B8R0.15 C=CC(OCC)C(C)C 27434b9578280007aa064ab6388289aa [0,2,0,0,0,0|2,0,0]=4 874 B8R0.15 C=C[C@H](NCC)C(=O)O 5c2988d6d8a73101b114f1f85def6c90 [0,2,0,0,0,0|1,0,0]=3 875 B8R0.15 C=C[C@H](NCF)C(=O)O d143ab86678a93c80c8a056198d3e9e0 [0,2,0,0,0,0|2,0,0]=4 876 B8R0.15 C=C[C@H](NCO)C(=O)O 91a74614650e784312c5d23758a5a16b [0,2,0,0,0,0|2,0,0]=4 877 B8R0.15 CCNC(CO)C(=O)N 4333fef656a065c1ba68ae2f13ae5e8b [0,2,0,0,0,0|2,0,0]=4 878 B8R0.15 CCNC(CO)C(=O)O ebf98372f13717a9df2df682387bdc5a [0,2,0,0,0,0|2,0,0]=4 879 B8R0.15 CCN[C@@H](CO)C(=O)N 3e6763ebcb86b94e60fc4ae0e4be563a [0,2,0,0,0,0|2,0,0]=4 880 B8R0.15 CCN[C@@H](CO)C(=O)O e2d91799e466e2d5ad0fbeab938b0c5a [0,2,0,0,0,0|2,0,0]=4 881 B8R0.15 CCN[C@H](CO)C(=O)O ceca2f5f870f50fddc0292e18011d619 [0,2,0,0,0,0|2,0,0]=4 882 B8R0.22 C#CC(CCC)OCC f22d8bf31fea2adfe9fa207ed6558425 [0,2,0,0,0,0|0,0,2]=4 883 B8R0.22 C#CC(CCC)OCF 066ad6ea4f1bb05c6805ea87622709a8 [0,2,0,0,0,0|0,0,2]=4 884 B8R0.22 C=CC(CC#N)OCC 6d7720c623083fa33dbc7137d4f81f0f [0,2,0,0,0,0|1,0,1]=4 885 B8R0.22 C=CC(CC#N)OCF 320ef0c1adadf9517ddc755547417d24 [0,2,0,0,0,0|1,0,1]=4 886 B8R0.22 C=CC(CCC)OCC 83f7ef8d30a51e1e5c4db64e2faf14e7 [0,2,0,0,0,0|0,0,0]=2 887 B8R0.22 C=CC(CCC)OCF f2ad51c370e6c1e95441feeeebf65549 [0,2,0,0,0,0|0,0,0]=2 888 B8R0.22 C=CCC(C=C)OCC 5d0bf26e0c4bee7b3d9e9113ae9cf8eb [0,2,0,0,0,0|0,0,2]=4 889 B8R0.22 C=CCC(C=C)OCF 5f6785e651bf070ea0c0186dea4a71a7 [0,2,0,0,0,0|0,0,2]=4 890 B8R0.22 C=CCN(C#N)CCC 6bfc4c9f7a986244d153ac08b4bd32fb [0,2,0,0,0,0|2,0,0]=4 891 B8R0.22 C=CCN(C=O)CCC 8915f0bd4ca3257466688dc7b8e97b40 [0,2,0,0,0,0|1,0,1]=4 892 B8R0.22 C=CCN(CC)CCC 7aebbfb3f75baa8bbab14ad7e2fc6fe2 [0,2,0,0,0,0|2,0,0]=4 893 B8R0.22 C=CCN(CF)CCC 49aab59b80da8d4589be20d7460f1c51 [0,2,0,0,0,0|2,0,0]=4 894 B8R0.22 C=CCN(CO)CCC 5b800a0a1d2f8747fb56a06f460cf028 [0,2,0,0,0,0|1,0,0]=3 895 B8R0.22 C=CCN(CO)CCO f0ed49e61829cc15ffae0d7c16eb2733 [0,2,0,0,0,0|2,0,0]=4 896 B8R0.22 CCCC(C#N)OCC a338cf0a28ea8309ca076bf548560d98 [0,2,0,0,0,0|1,0,1]=4 897 B8R0.22 CCCC(C#N)OCF 265d20fb781fbc2157e4f384484b9c1b [0,2,0,0,0,0|1,0,1]=4 898 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,2,0,0,0,0|0,0,2]=4 899 B8R0.22 CCCC(CC)OCF ce7c200aebd362fbdb26e3cffa550e7b [0,2,0,0,0,0|0,0,2]=4 900 B8R0.22 CCCC(CO)NC=O 41f5afc0296d6847bc820d8afc2b5787 [0,2,0,0,0,0|1,0,0]=3 901 B8R0.22 CCCC(CO)NCC b8c7f0be112f24c01dd7f8415b0a6e3f [0,2,0,0,0,0|0,0,2]=4 902 B8R0.22 CCCC(CO)NCF 599320bd2be0747b8bed7df28621facb [0,2,0,0,0,0|1,0,1]=4 903 B8R0.22 CCCC(CO)NCO 9c3e40eec7a20c9c6bcd4b99ddb42413 [0,2,0,0,0,0|1,0,1]=4 904 B8R0.22 CCCN(C=O)CCO 05c7e3c748b410d220017381f77da8d3 [0,2,0,0,0,0|2,0,0]=4 905 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,2,0,0,0,0|0,0,2]=4 906 B8R0.22 CCC[C@@H](CC)OCF 7aa5f0ec7ab4c268dbb1cc54d34ff94b [0,2,0,0,0,0|0,0,2]=4 907 B8R0.22 CCC[C@@H](CO)NC=O 3c94a70b3970ecaf12f548b2138bdede [0,2,0,0,0,0|1,0,0]=3 908 B8R0.22 CCC[C@@H](CO)NCC 56ab3d096c6223ec587ad816d0445356 [0,2,0,0,0,0|0,0,2]=4 909 B8R0.22 CCC[C@@H](CO)NCF b4bd85eb9c57e1dedb8d9d2040f14dab [0,2,0,0,0,0|1,0,1]=4 910 B8R0.22 CCC[C@@H](CO)NCO 4ac90204e4f97fc46e69b3f0ded63d81 [0,2,0,0,0,0|1,0,1]=4 911 B8R0.22 CCC[C@H](CO)NC=O 930af0e5fd8674584b8a8514e2d4657f [0,2,0,0,0,0|1,0,0]=3 912 B8R0.22 CCC[C@H](CO)NCC 9c47d0227f2e89819e7d2ecbd9f9d4a0 [0,2,0,0,0,0|0,0,2]=4 913 B8R0.22 CCC[C@H](CO)NCF 105c0bc98bbce77139d17902b348729a [0,2,0,0,0,0|1,0,1]=4 914 B8R0.22 CCC[C@H](CO)NCO e0683eee624d27f46b1a3348d30863a7 [0,2,0,0,0,0|1,0,1]=4 915 B8R0.22 COCC(CO)NC=O 7cb927b980bd90d760ca02f17ab63be0 [0,2,0,0,0,0|2,0,0]=4 916 B8R0.22 CSCC(CO)NC=O dbcc07b4bda20d44a07ec89880e75884 [0,2,0,0,0,0|2,0,0]=4 917 B8R0.22 O=CNC(CO)CCO 1c386d33bbd7c581f75e6c17d6cd6e2e [0,2,0,0,0,0|2,0,0]=4 918 B8R0.22 O=CN[C@@H](CO)CCO eb8f36be4729f323a89920f2afd3da27 [0,2,0,0,0,0|2,0,0]=4 919 B6R1.6 O=CN1CCC1 68439d1e88ecdc5685aec9c6c23ee2b6 [1,0,0,1,0,0|2,0,0]=4 920 B8R1.1 CCN1CCC(C1)O 1fbe07547593a6faa177084d503fc6f1 [0,1,0,1,0,0|0,0,2]=4 921 B8R1.1 CCN1CC[C@@H](C1)O 70cbbe96f459a233588b5761b6688faa [0,1,0,1,0,0|0,0,2]=4 922 B8R1.1 CCN1CC[C@H](C1)O 8caeefff584b981372b55b1e6e9f82dc [0,1,0,1,0,0|0,0,2]=4 923 B8R1.40 C=CC(=O)NC1CC1 ae1867ae5f1dd1acb685caa201da262d [0,1,0,1,0,0|0,0,2]=4 924 B8R1.40 C=CC(C)NC1CC1 8b8889a102e9ab03cefafa84c6ba9b22 [0,1,0,1,0,0|1,0,0]=3 925 B8R1.40 C=CC(C)OC1CC1 c4555d3282a816c367083c1a03c48a68 [0,1,0,1,0,0|1,0,0]=3 926 B8R1.40 C=C[C@H](C)OC1CC1 aee4e5bffcd126c9d1f0f3e9ad16a764 [0,1,0,1,0,0|1,0,0]=3 927 B8R1.40 CC(C=O)NC1CC1 691e0889ed251bf8aa7c3b68c5df0349 [0,1,0,1,0,0|2,0,0]=4 928 B8R1.40 CC(C=O)OC1CC1 23105afb975e278e4885544692b945fa [0,1,0,1,0,0|2,0,0]=4 929 B8R1.40 C[C@H](C=O)NC1CC1 b2dc22049a6d22620bf79363de94a32e [0,1,0,1,0,0|2,0,0]=4 930 B8R1.40 C[C@H](C=O)OC1CC1 0bd45590cb6813e5f06145925c580d8f [0,1,0,1,0,0|2,0,0]=4 931 B8R1.2 O=CN1CCCOC1 f5641b081c81baeb630a926cccc2dad9 [0,1,0,1,0,0|2,0,0]=4 932 B8R1.9 C=C1CC1COCC e60a01e41c746d08a053302fe8867db6 [0,1,0,1,0,0|1,0,0]=3 933 B8R1.9 C=C1CC1COCF 2ec32cf386c3f6aa6cd63403e7b0f2a1 [0,1,0,1,0,0|2,0,0]=4 934 B8R1.10 CCNCC1CCO1 adc8bc943b2800391aa94f7416a09286 [0,1,0,1,0,0|0,0,2]=4 935 B8R1.10 CCNC[C@@H]1CCO1 9aba48d1f47470a09a7d35987a5e8ef0 [0,1,0,1,0,0|0,0,2]=4 936 B8R1.10 CCNC[C@H]1CCO1 31fbc41ff0d13846dbeceac9b5a26021 [0,1,0,1,0,0|0,0,2]=4 937 B8R1.10 CCOCC1CCO1 46f20f884871fb02e5439ea768f341df [0,1,0,1,0,0|0,0,2]=4 938 B8R1.10 CCOC[C@@H]1CCO1 8e7e4c4711f67b56ad5c5f6f6bf92524 [0,1,0,1,0,0|0,0,2]=4 939 B8R1.10 CCOC[C@H]1CCO1 4172e43302b2071a73023d12b6c9bf61 [0,1,0,1,0,0|0,0,2]=4 940 B8R1.13 CCNC1CCC1O fb70cd93332b5942b9400efe3b54dca5 [0,1,0,1,0,0|0,0,2]=4 941 B8R1.13 CCN[C@@H]1CC[C@@H]1O a44a1131ac7553e4f969af4276e28d55 [0,1,0,1,0,0|0,0,2]=4 942 B8R1.13 CCN[C@@H]1CC[C@H]1O 4f0278655b9d968ff2d102bbaed0b37a [0,1,0,1,0,0|0,0,2]=4 943 B8R1.13 CCN[C@H]1CC[C@@H]1O 3bed658078592c5d2659e64ff05d8887 [0,1,0,1,0,0|0,0,2]=4 944 B8R1.13 CCN[C@H]1CC[C@H]1O 89451e4a9e80a1548ed036e94f478963 [0,1,0,1,0,0|0,0,2]=4 945 B8R1.38 C=CC(=O)N1CCC1 d0139f7b17a74aad2f7c1656c4595cf8 [0,1,0,1,0,0|0,0,2]=4 946 B8R1.38 C=CC(C)N1CCC1 a1d5ee1714f3f83fc5189dcd00a0c111 [0,1,0,1,0,0|1,0,0]=3 947 B8R1.38 CC(C=O)N1CCC1 b3b552e7b160cd5acb51c776f72f7634 [0,1,0,1,0,0|2,0,0]=4 948 B8R1.38 C[C@H](C=O)N1CCC1 92650f4896a859e9500741deb7ae1705 [0,1,0,1,0,0|2,0,0]=4 949 B8R1.41 CCNCC1(CC1)O 73d481860929ec0f2bc61c4a786c0e18 [0,1,0,1,0,0|0,0,2]=4 950 B8R1.37 C=CCN(C)C1CC1 1719ae8d2105217ae7863bb23ae93ade [0,1,0,1,0,0|2,0,0]=4 951 B8R1.37 C[C@@H](NC=O)C1CC1 6df7776a8a6084e948c30aaa6bcc8106 [0,1,0,1,0,0|2,0,0]=4 952 B8R1.37 C[C@H](NC=O)C1CC1 a44318147b26c551e56d43565edc198d [0,1,0,1,0,0|2,0,0]=4 953 B8R1.8 CCCN1CC=CC1 dffb66591d4209c0345506bebd28f7c4 [0,1,0,1,0,0|2,0,0]=4 954 B8R1.8 CCNC1CC=CC1 a91d0c1c4516e5b7b75119739c97d720 [0,1,0,1,0,0|2,0,0]=4 955 B8R1.8 CCNc1ccno1 c991bcc5829788fabf092ecd54bd220e [0,1,0,1,0,0|1,0,1]=4 956 B8R1.8 CCNc1ccon1 1b2b81379cbfa300ef6ff7f035534561 [0,1,0,1,0,0|1,0,1]=4 957 B8R1.8 CCNc1ncco1 9fef4809a1ac3d1c666a8faacb65e06b [0,1,0,1,0,0|1,0,1]=4 958 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,1,0,1,0,0|2,0,0]=4 959 B8R1.8 CCOC1CC=CC1 e0d02274580f3ec492bcb66ee71bce9b [0,1,0,1,0,0|2,0,0]=4 960 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,1,0,1,0,0|0,0,2]=4 961 B8R1.8 CCOc1ccco1 e09af78840aa7c50339c3ce236ba2f4c [0,1,0,1,0,0|1,0,1]=4 962 B8R1.8 FCOC1CCCO1 341775c5b3881699fcb9a13a61611ec4 [0,1,0,1,0,0|1,0,1]=4 963 B8R1.8 O=CNC1CCCC1 9941fb95f5bfd095412442670e9f2499 [0,1,0,1,0,0|2,0,0]=4 964 B8R1.11 CC1CCCN1C=O 3ea4d1e6647fbd09960c2c26417f1af4 [0,1,0,1,0,0|2,0,0]=4 965 B8R1.11 CCN1CCCC1O 146566e537ef7a9790c7ffe7385bae77 [0,1,0,1,0,0|0,0,2]=4 966 B8R1.11 C[C@@H]1CCCN1C=O 5b11f1ed15ba14e3311dd9d4b620d01b [0,1,0,1,0,0|2,0,0]=4 967 B8R1.11 C[C@H]1CCCN1C=O 47ce3e99eee2f4d382d5e118e22fa773 [0,1,0,1,0,0|2,0,0]=4 968 B8R1.11 O=CN1CCCC1O a26ec465eebf98c295c9d7f5c4bb6e0a [0,1,0,1,0,0|1,0,0]=3 969 B8R1.11 OC1CCCN1CF c790b4455a65a534413a9c15340a6b8e [0,1,0,1,0,0|1,0,1]=4 970 B8R1.11 OCN1CCCC1O 2e2202d296df0fbf3a7f469e1d91c122 [0,1,0,1,0,0|1,0,1]=4 971 B8R1.16 CC1CC(N1C=O)C 68c6aa262d7808ae64f1cc90fbae1b29 [0,1,0,1,0,0|2,0,0]=4 972 B8R1.16 C[C@@H]1C[C@@H](N1C=O)C 860cbeb088034e7b4fcbfe6227656475 [0,1,0,1,0,0|2,0,0]=4 973 B8R1.16 C[C@@H]1C[C@H](N1C=O)C a942dc7508eed2df043adb56af93c0ca [0,1,0,1,0,0|2,0,0]=4 974 B8R1.16 C[C@H]1C[C@@H](N1C=O)C e7d0a04d7866353e7bd9f9d9825a0417 [0,1,0,1,0,0|2,0,0]=4 975 B8R1.66 CC1(CCC1)NC=O c4f5dcbe0c8abcae670d3c633c591542 [0,1,0,1,0,0|2,0,0]=4