0 B7R0.7 C#CCC(C)OCC c1f6c314cdd73a7fa8ad58ddb797863b [0,0,0,0,0,0|2,0,2]=4 1 B7R0.7 C=CCC(C)OCC e661cd10cce572a7601633678f7f6510 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.7 C=CC[C@@H](C)OCC 077d825b2d79fe5b7d34cfc8a591b694 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.7 C=CC[C@H](C)OCC 67560b27043d123cb27b1dfe36dce4bb [0,0,0,0,0,0|2,0,2]=4 4 B7R0.7 CCCC(=O)NC#N 766b016c5624be50103f3a22e25698f4 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.7 CCCC(=S)OCC 1c7e19bdea536ef2f89edad836560238 [0,0,0,0,0,0|1,1,0]=2 6 B7R0.7 CCCC(=S)OCF 8dc901968f3491ced45b3f4cde755440 [0,0,0,0,0,0|2,1,0]=3 7 B7R0.7 CCCC(C)NCC 30687af6c4de8dad0ff98831d5157fbe [0,0,0,0,0,0|3,0,1]=4 8 B7R0.7 CCCC(C)OCC f8a13dff786165aad9d4cfd77470c868 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.7 CCCC(C)OCF e53aa9a0be571d844376e05ef43b0243 [0,0,0,0,0,0|3,0,1]=4 10 B7R0.7 CCCN(C)CCC e4ba1afb5991f60dfc5178c264d147ac [0,0,0,0,0,0|4,0,0]=4 11 B7R0.7 CCCN(C)CCF 20bdd855ba3f41de089f8838592d613e [0,0,0,0,0,0|4,0,0]=4 12 B7R0.7 CCCN(C)CCO 78d0d1ebbc45bccd6d086b71283c0541 [0,0,0,0,0,0|3,1,0]=4 13 B7R0.7 CCCN(C)CCS b66b0b7cd1a916850f3ad9b440f8c270 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.7 CCC[C@@H](C)OCC ad566fabe40b68a5eff8830d607c6d5f [0,0,0,0,0,0|2,0,1]=3 15 B7R0.7 CCC[C@@H](C)OCF 7663802c803efdb5ffdb71e415c741b7 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.7 CCC[C@H](C)NCC 753d5a7572fe2b9f2fd164a2491a308c [0,0,0,0,0,0|3,0,1]=4 17 B7R0.7 CCC[C@H](C)OCC 1fee3bcf808f20e21cce64abf5182523 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.7 CCC[C@H](C)OCF aaf4041a99f006e154459098e0beb231 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.7 CCNC(C)CCO 6d74a4cbe1e8603263eb7a06e9e0b8fd [0,0,0,0,0,0|2,1,1]=4 20 B7R0.7 CCN[C@@H](C)CCO 120d76e4d5f3a5851fb1fd775a67dcd3 [0,0,0,0,0,0|2,1,1]=4 21 B7R0.7 CCN[C@H](C)CCO d88e997127477e2d2a92514b9d55e900 [0,0,0,0,0,0|2,1,1]=4 22 B7R0.7 CCOC(C)CC#N 74c7ff950e02e978c381dad00f0222ea [0,0,0,0,0,0|2,0,2]=4 23 B7R0.7 CCOC(C)COC fe243350564a7dc6ae1ae7113d5524f6 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.7 CCOC(C)CSC e325c79726bf48130f9e676fa3908dca [0,0,0,0,0,0|3,0,1]=4 25 B7R0.7 CCO[C@@H](C)CC#N 79f640333f75719e0019c555e2ed7c25 [0,0,0,0,0,0|2,0,2]=4 26 B7R0.7 CCO[C@@H](C)COC f439908527642fb0fb69029fa9f8bc89 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.7 CCO[C@H](C)CC#N 853352ce16f989e76716e5f2635f2407 [0,0,0,0,0,0|2,0,2]=4 28 B7R0.7 CCO[C@H](C)COC 9a86a7ea1ccd0f751a8074ffc2bb4277 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.7 CN(CCF)CCS 51a5a054c764c97b1b3f4764ff1b15f7 [0,0,0,0,0,0|4,0,0]=4 30 B7R0.7 CN(CCO)CCS 8f9521937335f69fe4f66a692ec136fa [0,0,0,0,0,0|4,0,0]=4 31 B7R0.7 N#CNC(=O)CCF 2d38b0a901d33b11182071085ffedd88 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.7 N#CNC(=O)CCO 21159348c5eb316e27f10d66411c699d [0,0,0,0,0,0|2,1,1]=4 33 B7R0.7 N#CNC(=O)CCS 4c8d70dcb6c079601a678239569cd2dc [0,0,0,0,0,0|2,0,1]=3 34 B6R0.1 C=C(C=O)OCC 64c18fcc04a22b045ebc35a9eb4d4363 [1,0,0,0,0,0|1,1,1]=4 35 B6R0.1 CC(CS)OCF 3aa76e588b94fa8c0abffd230ad3c80a [1,0,0,0,0,0|2,0,1]=4 36 B6R0.1 CCC(=O)NC#N 73537d427a9f3c7ed521fc0320b94de6 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.1 CCC(C)OCF b1f4704464bbfd0265fa8845c1d734e2 [1,0,0,0,0,0|2,0,1]=4 38 B6R0.1 CCCN(C)CC 063caa89be0fdd356f6455d1751457ac [1,0,0,0,0,0|3,0,0]=4 39 B6R0.1 CCN(C)CCF 15aa448f2958342e872fe1eff4da2f7c [1,0,0,0,0,0|3,0,0]=4 40 B6R0.1 CCN(C)CCO d3ce6c3bd65198b22911f821b13f3685 [1,0,0,0,0,0|2,1,0]=4 41 B6R0.1 CCN(C)CCS 1ccbd256497b3a342f1d9474525ca49a [1,0,0,0,0,0|2,0,0]=3 42 B6R0.1 CCNC(C)CC 396d13a5c682c09283d5fcc86ff55a86 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.1 CCN[C@@H](C)CC 8864275bc593322b499f8ffa253a175e [1,0,0,0,0,0|2,0,1]=4 44 B6R0.1 CCN[C@H](C)CC 2ca98ce961a0f1b51c5b9bb18e4cf730 [1,0,0,0,0,0|2,0,1]=4 45 B6R0.1 CCOC(C)CC 56a4de537882754d70714e008cda003f [1,0,0,0,0,0|1,0,1]=3 46 B6R0.1 CCOC(C)CF 65f06da7a639a9baf133860813b79ea3 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.1 CCOC(C)CS eb3404d1a98d8fb6f364ecf6e98ac96e [1,0,0,0,0,0|1,0,1]=3 48 B6R0.1 CCO[C@@H](C)CC 1c34d8425f39e9be808db66bb381a14c [1,0,0,0,0,0|1,0,1]=3 49 B6R0.1 CCO[C@H](C)CC 08a1e8fcc5a32008da3650c30e1472a7 [1,0,0,0,0,0|1,0,1]=3 50 B6R0.1 CCO[C@H](C)CS 7d1ac13ead965fd5112ee05598239ca1 [1,0,0,0,0,0|1,0,1]=3 51 B6R0.1 CC[C@@H](C)OCF f4fa7810a1d84f0f9cde4476fd8e3f60 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.1 CC[C@H](C)OCF 7272126d7b60c9c2f9744715a5cbda1c [1,0,0,0,0,0|2,0,1]=4 53 B6R0.1 C[C@H](CS)OCF db899319a56836cd7d73603a0da16225 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.6 C#CCCOCC 949a5248ab77dc0ee2e21f1625533803 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.6 C=CCCOCC 6e23d9941af9b2d0c85f8cbdda9dfc6d [1,0,0,0,0,0|1,0,2]=4 56 B6R0.6 CCCCNCC 92b5580e2e0a5bde623d85d4114fa5b8 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 CCCCOCC 95dd02bf16a1c429e6d73e015abd355f [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 CCCCOCF 0477e5eebf9ea464372af9c3f610bbb3 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 CCCNCCBr 4580e94d6156274002f94ca88fed008a [1,0,0,0,0,0|3,0,0]=4 60 B6R0.6 CCCNCCC 1b094650055fd0b18522f92a665c0499 [1,0,0,0,0,0|3,0,0]=4 61 B6R0.6 CCCNCCF 735cf6bc8c20816e92fa14d59534e4a3 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.6 CCCNCCI 005cf13853f56eac57a7dac0ea522018 [1,0,0,0,0,0|3,0,0]=4 63 B6R0.6 CCCNCCO 6b27698ebbebd4cb74f83b272f0d15e6 [1,0,0,0,0,0|2,1,0]=4 64 B6R0.6 CCCNCCS 99a3fb47b747dc1242515be7d85bbd80 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.6 CCCOCCC 0a4e87c7914309a78635e74e08d2777c [1,0,0,0,0,0|3,0,0]=4 66 B6R0.6 CCCOCCF 89739e8ca8e097a040faf9b1b5d8fe97 [1,0,0,0,0,0|3,0,0]=4 67 B6R0.6 CCCOCCS 0132493e794a98d77c26358a94dc4e29 [1,0,0,0,0,0|2,0,0]=3 68 B6R0.6 CCNCCCCl f420c80c72cde7ae412c1f8074858784 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.6 CCNCCCO 8cb6c3a632b620aeb28c86d99bc4b414 [1,0,0,0,0,0|1,1,1]=4 70 B6R0.6 CCOCCC#N d9853a6ec1c1aeff0229e06f57e329f8 [1,0,0,0,0,0|1,0,2]=4 71 B6R0.6 CCOCCC=O d3b853feb6192f624a9d6e96cbf29efa [1,0,0,0,0,0|0,1,2]=4 72 B6R0.6 CCOCCCF c39806e94fc6c284e7443799411e61ef [1,0,0,0,0,0|1,0,1]=3 73 B6R0.6 CCOCCCS 1518d71ef49a78a374e5431ada0f3cb8 [1,0,0,0,0,0|0,0,1]=2 74 B6R0.6 CCOCCOC dd0438a106c25c5532b546a1007f90ac [1,0,0,0,0,0|2,0,1]=4 75 B6R0.6 CCOCCSC 5ebca3b7e051ee8b31eb2b56fedcebce [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 COCNCCS 786afdf72bf335f5d127e835a740393a [1,0,0,0,0,0|3,0,0]=4 77 B6R0.6 COCOCCS fcfa81efb868e68483c1465ed07af8f4 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.6 CSCNCCS b1c5df5844cf8935aabb3648e61465f2 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.6 CSCOCCS 4bd5c15be5c967caa94433f55b38b0fd [1,0,0,0,0,0|3,0,0]=4 80 B6R0.6 FCCCOCF 0d2e96eb165fd76b18d8df4690900872 [1,0,0,0,0,0|2,0,1]=4 81 B6R0.6 FCCNCCS 5771e4e946cf04a10b11168c2a26cfba [1,0,0,0,0,0|3,0,0]=4 82 B6R0.6 FCCOCCS e5c5db3e08a0f53018e2b973416b7c32 [1,0,0,0,0,0|3,0,0]=4 83 B6R0.6 FCOCCCS d4006571dbef2280a4ff5f23f38e7165 [1,0,0,0,0,0|1,0,1]=3 84 B6R0.6 OCCNCCS 3dc5bdb4440e31f22d01b06893c66b5e [1,0,0,0,0,0|3,0,0]=4 85 B6R0.6 SCCNCCBr c48d02c84e30a7b9706b2ad380ca4923 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.6 SCCNCCI 36ec37d0883791420ffed69138b467d3 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.6 SCCNCCS 69e177fa948b956df81550ba37304c74 [1,0,0,0,0,0|3,0,0]=4 88 B6R0.6 SCCOCCS 87c2cb04f9bb7dbaacc12a2547a6f936 [1,0,0,0,0,0|3,0,0]=4 89 B8R0.1 C#CCC(=O)NCCBr 4f440cf4aa09e3206cdd4605bcf9c58a [0,1,0,0,0,0|2,0,1]=4 90 B8R0.1 C#CCC(=O)NCCC 02e18d00f6cac127c3ba925ff7cc6fd1 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.1 C#CCC(=O)NCCF 3341dd3a6feefef883ce57321d1fc3ac [0,1,0,0,0,0|2,0,1]=4 92 B8R0.1 C#CCC(=O)NCCI f8d66d321b4bbc9c77f62120eae5ed27 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.1 C#CCC(=O)NCCO 2552cbe45ed2acb76bf35f0ed2d399d1 [0,1,0,0,0,0|2,0,1]=4 94 B8R0.1 C#CCC(=O)NCCS 476873863e83bab04e03ba1c343d1800 [0,1,0,0,0,0|1,0,2]=4 95 B8R0.1 C#CCNC(=O)CCC 988fe137497a657fd02a96648cfc31de [0,1,0,0,0,0|2,0,1]=4 96 B8R0.1 C#CCNC(=O)CCF e0694077da982de0e89a1640dd836e88 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.1 C#CCNC(=O)CCO 96fe99b94bbe3f359921b98b2650505f [0,1,0,0,0,0|1,1,1]=4 98 B8R0.1 C#CCNC(=O)CCS 2ccb181d20fbfebe9499fb936abe7e8c [0,1,0,0,0,0|1,0,1]=3 99 B8R0.1 C#CCOC(=S)CCC 666ad0aff10dc8dec2740f151b5514b6 [0,1,0,0,0,0|1,1,1]=4 100 B8R0.1 C/C=C/C(=O)NCCBr 1a948754dff20d168e9361d04d66258d [0,1,0,0,0,0|2,0,1]=4 101 B8R0.1 C/C=C/C(=O)NCCC 3112d70c0159afb044aaeb01584dde68 [0,1,0,0,0,0|2,0,1]=4 102 B8R0.1 C/C=C/C(=O)NCCF f849769f8bdb582b93b497aea7baa092 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.1 C/C=C/C(=O)NCCI 52e8106e222480d032713c2c859846aa [0,1,0,0,0,0|2,0,1]=4 104 B8R0.1 C/C=C/C(=O)NCCO a9d7e927df580e87cdbec0136302f443 [0,1,0,0,0,0|1,1,1]=4 105 B8R0.1 C/C=C/C(=O)NCCS 5eb021a8ec06b5b9d6208abe4a08327e [0,1,0,0,0,0|1,0,1]=3 106 B8R0.1 C=CCC(=O)NCCBr 88693f23f16092ca5dd266571e10a0e0 [0,1,0,0,0,0|2,0,1]=4 107 B8R0.1 C=CCC(=O)NCCC 0464f3619ee0131de1206f24520111fa [0,1,0,0,0,0|2,0,1]=4 108 B8R0.1 C=CCC(=O)NCCF b423ce63ff163e8a3f1e834dcf6b878a [0,1,0,0,0,0|2,0,1]=4 109 B8R0.1 C=CCC(=O)NCCI 3e84a2a94db213ccfed4bfa0a31b248c [0,1,0,0,0,0|2,0,1]=4 110 B8R0.1 C=CCC(=O)NCCO 463fba4a469c234daf13b2d2f72392b1 [0,1,0,0,0,0|2,0,1]=4 111 B8R0.1 C=CCC(=O)NCCS 6f95ca251253e31286d39bbf0aa786fe [0,1,0,0,0,0|1,0,2]=4 112 B8R0.1 C=CCCC(C)OCC 12ed926926e8651e3a80017bb67d145a [0,1,0,0,0,0|2,0,1]=4 113 B8R0.1 C=CCC[C@@H](C)OCC 0ab76f3ece4d8150e9e76a16d7bb942b [0,1,0,0,0,0|2,0,1]=4 114 B8R0.1 C=CCOC(=S)CCC 0e2b2dcb05bb2d160479b58f052e05d1 [0,1,0,0,0,0|1,1,1]=4 115 B8R0.1 CC#CC(=O)NCCBr 88fb977d43b76e3334f184344ba493ef [0,1,0,0,0,0|2,0,1]=4 116 B8R0.1 CC#CC(=O)NCCC f3929637650271102a5b6c505641e7e8 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.1 CC#CC(=O)NCCF 1227adeb43ec7455199bd22620e5253c [0,1,0,0,0,0|2,0,1]=4 118 B8R0.1 CC#CC(=O)NCCI dbbc6bd9b3b670571c9a53642d339035 [0,1,0,0,0,0|2,0,1]=4 119 B8R0.1 CC#CC(=O)NCCO f885362aa6b004ac92e1add94f791e9e [0,1,0,0,0,0|1,1,1]=4 120 B8R0.1 CC#CC(=O)NCCS 40eb9ceaf9e9d627793690711560ba71 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.1 CCCC(=O)CNC#N e78fa428bf173d6f49d20b0b4ac2f117 [0,1,0,0,0,0|2,0,1]=4 122 B8R0.1 CCCC(=O)NCC#N 97e0c91f0cf4974f9847be1f27d8b9ac [0,1,0,0,0,0|2,0,1]=4 123 B8R0.1 CCCC(=O)NCCBr e3424ddfe0e4582b4445faadedeca9f3 [0,1,0,0,0,0|2,0,0]=3 124 B8R0.1 CCCC(=O)NCCF abd86ad1a4854f306fa4ec91802cd24f [0,1,0,0,0,0|2,0,0]=3 125 B8R0.1 CCCC(=O)NCCI effb943f4ec1dba1ee2232662d0cb367 [0,1,0,0,0,0|2,0,0]=3 126 B8R0.1 CCCC(=O)NCCO d2bc78e5bd2f73aa8619f010857f1926 [0,1,0,0,0,0|1,1,0]=3 127 B8R0.1 CCCC(=O)NCCS c2ef67720d0b2ef54134f82538ee13fd [0,1,0,0,0,0|1,0,0]=2 128 B8R0.1 CCCC(=S)OCC#N ff06a334ddac1bbecb7d6c22783d4308 [0,1,0,0,0,0|1,1,1]=4 129 B8R0.1 CCCC(=S)OCC=O ee4851bc3a15d19c33e510859df38ec8 [0,1,0,0,0,0|1,1,1]=4 130 B8R0.1 CCCC(=S)OCCF 4a3f66968fafe65a13eab591dccc8c9f [0,1,0,0,0,0|1,1,0]=3 131 B8R0.1 CCCC(=S)OCCS 7161c28940ff0dc6e0b2d32d8bc2d5dc [0,1,0,0,0,0|1,1,0]=3 132 B8R0.1 CCCC(=S)OCOC d7c66aa0be93e71a0e10702c93e66ce1 [0,1,0,0,0,0|1,1,0]=3 133 B8R0.1 CCCC(=S)OCSC aaf32ff7376d2185d5b81bb017266ecd [0,1,0,0,0,0|1,1,0]=3 134 B8R0.1 CCCC(C)COCC 93903632c96b35063d92ad4a88f1870f [0,1,0,0,0,0|2,0,1]=4 135 B8R0.1 CCCC(C)NCCS ae0edf47df652752132304246cff565d [0,1,0,0,0,0|2,0,1]=4 136 B8R0.1 CCCC(C)OCCF 51dd4182d40ab8df7fc597096aea8427 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.1 CCCC(C)OCCS 69475e4324fe3c939d55cdf50e8476b5 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.1 CCCC(C)OCOC 7c2918bfa8ffaddb181d24a90d0ac5c3 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.1 CCCC(C)OCSC 75e51c2393446b0133ca8c8523cf3bf1 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.1 CCCCC(C)OCC e43df0ae121ab44cb6194c6546aa1e41 [0,1,0,0,0,0|2,0,1]=4 141 B8R0.1 CCCCN(C)CCS 3e265071a664b45e2ee59abc544de5e5 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.1 CCCC[C@@H](C)OCC d38acbfc54d47c4bbd565f1b434e5e73 [0,1,0,0,0,0|2,0,1]=4 143 B8R0.1 CCCC[C@H](C)OCC f8165a8926a10ebcbdb8675cf31f0cb1 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.1 CCCN(C)CCCS 13f800e972129b543eca8df52c669ca8 [0,1,0,0,0,0|3,0,0]=4 145 B8R0.1 CCCN(C)CCSC 124c992bab27aab465124a43552a6d9d [0,1,0,0,0,0|3,0,0]=4 146 B8R0.1 CCCN(C)COCC cf6f2674ada2fc38b6be0d5d76fba32b [0,1,0,0,0,0|3,0,0]=4 147 B8R0.1 CCCNC(=O)CC#N a35df4e334c2327f92e0bafe31098739 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.1 CCCNC(=O)CC=O c387c4bc3ea86b21200effc59fe151db [0,1,0,0,0,0|1,1,1]=4 149 B8R0.1 CCCNC(=O)CCC 3a4ef615081398a2acfdf5d3349655c4 [0,1,0,0,0,0|2,0,0]=3 150 B8R0.1 CCCNC(=O)CCF 80cac466548133e31f593852e3638107 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.1 CCCNC(=O)CCO 1e17d6cf040450a0042d7883a84b4d20 [0,1,0,0,0,0|1,1,0]=3 152 B8R0.1 CCCNC(=O)CCS 5ca47d6ccf33cee73df146cfd5794783 [0,1,0,0,0,0|1,0,0]=2 153 B8R0.1 CCCNC(=O)COC d992f0c3466a56e61d0974e6b6e8669f [0,1,0,0,0,0|3,0,0]=4 154 B8R0.1 CCCNC(=O)CON 9840c2139f1e78498e25b8fce4d164d2 [0,1,0,0,0,0|3,0,0]=4 155 B8R0.1 CCCNC(=O)CSC 6ae58cb75ea789964eebc3d4df556317 [0,1,0,0,0,0|3,0,0]=4 156 B8R0.1 CCCOC(=S)CCC 553859e26557f67ca84075cb05814f3e [0,1,0,0,0,0|1,1,0]=3 157 B8R0.1 CCCOC(C)CCC 5072af5c5b154601df0153ecc4f9a62c [0,1,0,0,0,0|2,0,1]=4 158 B8R0.1 CCCO[C@@H](C)CCC 3768650ef68ec2d5f66e51478eb2c0cf [0,1,0,0,0,0|2,0,1]=4 159 B8R0.1 CCCO[C@H](C)CCC d9937f3512bcf6b6a2b04993e218c5dc [0,1,0,0,0,0|2,0,1]=4 160 B8R0.1 CCC[C@@H](C)OCCF 551477ebd941c69308556a318357406d [0,1,0,0,0,0|2,0,1]=4 161 B8R0.1 CCC[C@@H](C)OCCS 32dc180121f7e6b2463f9b82f724d60f [0,1,0,0,0,0|2,0,1]=4 162 B8R0.1 CCC[C@@H](C)OCOC 424856e8f73d9733e5e6cd61105c8f9c [0,1,0,0,0,0|2,0,1]=4 163 B8R0.1 CCC[C@@H](C)OCSC c99c99286eba63cefa83ea33456022c2 [0,1,0,0,0,0|2,0,1]=4 164 B8R0.1 CCC[C@H](C)NCCS 4b977739e63bd4bdba50b1434c29865f [0,1,0,0,0,0|2,0,1]=4 165 B8R0.1 CCC[C@H](C)OCCF e12d025f332e1847a0a0c8377933b294 [0,1,0,0,0,0|2,0,1]=4 166 B8R0.1 CCC[C@H](C)OCCS 9c981c47f7c3ead27a21a510681a21c3 [0,1,0,0,0,0|2,0,1]=4 167 B8R0.1 CCC[C@H](C)OCOC f3c5c84cdb332795f207cd42cee3605b [0,1,0,0,0,0|2,0,1]=4 168 B8R0.1 CCC[C@H](C)OCSC 32a5d497847cfe259fd9a3968696750a [0,1,0,0,0,0|2,0,1]=4 169 B8R0.1 CCNC(=O)CNC#N 28aad3bf6750798c50b9e71af37b9d22 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.1 CCNC(=O)CNC=O d640e3fac3bdd04f4eea38aa909b37a0 [0,1,0,0,0,0|1,1,1]=4 171 B8R0.1 CCNC(=O)CNCF 00b80b6827b81d8895e54234ac75d43c [0,1,0,0,0,0|2,0,0]=3 172 B8R0.1 CCNC(=O)CNCO ce3cba50f7ed87e7409428e42c23fd71 [0,1,0,0,0,0|1,1,0]=3 173 B8R0.1 CCNC(=O)COCC c84e7c49da6c2baea65be933f5b80bea [0,1,0,0,0,0|2,0,0]=3 174 B8R0.1 CCNC(=O)COCF 07accf9dfadaaccc536f5c34a66ac1b1 [0,1,0,0,0,0|2,0,0]=3 175 B8R0.1 CCNCC(=O)NCC 85e3c6c463358c2ceb6c3f3c07ea189c [0,1,0,0,0,0|2,0,0]=3 176 B8R0.1 CCNCC(=O)OCC 13e479e123264c7bc2cd9986b04b4c24 [0,1,0,0,0,0|1,0,0]=2 177 B8R0.1 CCNCC(C)OCC eada9db090733897974960683afe5496 [0,1,0,0,0,0|2,0,1]=4 178 B8R0.1 CCOC(=O)CNC#N 5d84038a545807021d0d5d796040f780 [0,1,0,0,0,0|1,0,1]=3 179 B8R0.1 CCOC(=O)CNC=O 9f57910f0884d9a30d5951af969e11f6 [0,1,0,0,0,0|0,1,1]=3 180 B8R0.1 CCOC(=O)CNCF 7d02e761e530b1a2e8b4937d75024162 [0,1,0,0,0,0|1,0,0]=2 181 B8R0.1 CCOC(=O)CNCO be258da79336855a99e7f18427102b1b [0,1,0,0,0,0|0,1,0]=2 182 B8R0.1 CCOC(=O)COCF e0f65d48f1d596b5b0dcd0c878bc5d05 [0,1,0,0,0,0|1,0,0]=2 183 B8R0.1 CCOC(C)CCOC 196511f67d8eda011d6f33c8b16809a7 [0,1,0,0,0,0|1,1,1]=4 184 B8R0.1 CCOC(C)CCSC 324d3536b5929c293af9b175b80533e8 [0,1,0,0,0,0|1,0,1]=3 185 B8R0.1 CCOC(C)CNCF be2ee28f67404fc5b60bff7ea6d449a0 [0,1,0,0,0,0|2,0,1]=4 186 B8R0.1 CCOC(C)CNCO 3791a70ca25acb67327e3b2673fe76fd [0,1,0,0,0,0|1,1,1]=4 187 B8R0.1 CCOC(C)COCF e0bd0d7aebb310cf311ec127f701e0f8 [0,1,0,0,0,0|2,0,1]=4 188 B8R0.1 CCOCC(=O)NC#N b14d7678dab8d31dfd317a29925c01b8 [0,1,0,0,0,0|2,0,1]=4 189 B8R0.1 CCOCC(=O)OCC a71429e2784f27b770f80be9d4ceb826 [0,1,0,0,0,0|1,0,0]=2 190 B8R0.1 CCOCC(C)OCC 20a9fb9f86ef4d51ef11c7f7a467151a [0,1,0,0,0,0|2,0,1]=4 191 B8R0.1 CCOCN(C)CCF 15f09a6694334e8fa617a47fe167018e [0,1,0,0,0,0|3,0,0]=4 192 B8R0.1 CCOCN(C)CCO d229648483b22399699fd2ff299b7b3c [0,1,0,0,0,0|2,1,0]=4 193 B8R0.1 CN(CCS)CCCO 128d6d2fd1d0f5cb95de704956d68fe8 [0,1,0,0,0,0|3,0,0]=4 194 B8R0.1 COCC(=O)NCCBr e1d7efa2beb897f6fe8c723e5fef1d8c [0,1,0,0,0,0|3,0,0]=4 195 B8R0.1 COCC(=O)NCCF 5b27f9df05a07da8459d8e50096ac5ef [0,1,0,0,0,0|3,0,0]=4 196 B8R0.1 COCC(=O)NCCI 555339bd86b0ca69dc4cdec31caa1894 [0,1,0,0,0,0|3,0,0]=4 197 B8R0.1 COCC(=O)NCCO 5ced7d6cbd9eed1c30b901e6485d694c [0,1,0,0,0,0|2,1,0]=4 198 B8R0.1 COCC(=O)NCCS 730709bdb2536a5f7519c33efb71b705 [0,1,0,0,0,0|2,0,0]=3 199 B8R0.1 COCCN(C)CCS 83f03283cbacd33730b90834828ac225 [0,1,0,0,0,0|3,0,0]=4 200 B8R0.1 CSCC(=O)NCCBr 98705a0f39eb077061bcbd29b0672e6a [0,1,0,0,0,0|3,0,0]=4 201 B8R0.1 CSCC(=O)NCCF dfda28d66fa36cfb5ce50a1350224197 [0,1,0,0,0,0|3,0,0]=4 202 B8R0.1 CSCC(=O)NCCI 7bfc8d164efaef654c34edd5d1d07835 [0,1,0,0,0,0|3,0,0]=4 203 B8R0.1 CSCC(=O)NCCO 8fe8e72aaf0bb9f5644b18e3c790996d [0,1,0,0,0,0|2,1,0]=4 204 B8R0.1 CSCC(=O)NCCS 0c7243c53eb1aa5322c2775032ee2b33 [0,1,0,0,0,0|2,0,0]=3 205 B8R0.1 CSCCC(=O)NC#N aef0d4e74706fd59073e203e77c34320 [0,1,0,0,0,0|2,0,1]=4 206 B8R0.1 CSCCC(C)OCF ca44d8152c82433feb356f43eb2aa4aa [0,1,0,0,0,0|2,0,1]=4 207 B8R0.1 CSCCN(C)CCS 81ba41fb7d6f3f42166f9514690c9e2c [0,1,0,0,0,0|3,0,0]=4 208 B8R0.1 N#CCC(=O)NCCBr ad62f176467caad7b89cb9f715b01ba4 [0,1,0,0,0,0|2,0,1]=4 209 B8R0.1 N#CCC(=O)NCCF d2c6af9dd4cb0f6e3a3d2d5222fcc74a [0,1,0,0,0,0|2,0,1]=4 210 B8R0.1 N#CCC(=O)NCCI 52006da7cf9f86f57bb751ce4f17b4c1 [0,1,0,0,0,0|2,0,1]=4 211 B8R0.1 N#CCC(=O)NCCO ebc737fc9565f0412dd7bc9620fd665d [0,1,0,0,0,0|2,0,1]=4 212 B8R0.1 N#CCC(=O)NCCS 9a38bc12ba4791c01f29716cb2165a91 [0,1,0,0,0,0|2,0,1]=4 213 B8R0.1 N#CCNC(=O)CCF df94db636624542224dff79afd456c89 [0,1,0,0,0,0|2,0,1]=4 214 B8R0.1 N#CCNC(=O)CCO 4cb7ec4d29a04c5392c09b8643634927 [0,1,0,0,0,0|1,1,1]=4 215 B8R0.1 N#CCNC(=O)CCS 65ac0fd9c89bd91cbedcee8c7da4e74a [0,1,0,0,0,0|1,0,1]=3 216 B8R0.1 N#CNC(=O)CCCS 97d957bc025416f4428f830074eec472 [0,1,0,0,0,0|2,0,1]=4 217 B8R0.1 N#CNC(=O)NCCS 413289437f7e3a1195982700998e12a4 [0,1,0,0,0,0|2,0,1]=4 218 B8R0.1 NOCC(=O)NCCBr c0babb816ff6ad071d50637a90f5b53a [0,1,0,0,0,0|3,0,0]=4 219 B8R0.1 NOCC(=O)NCCF 9e810ff41c2108c50e8d8b1b8bd5f2d7 [0,1,0,0,0,0|3,0,0]=4 220 B8R0.1 NOCC(=O)NCCI 1fcbed4147de39f8976794c95925d11c [0,1,0,0,0,0|3,0,0]=4 221 B8R0.1 NOCC(=O)NCCO fd618ddcd2c6c81b594a362cc110fd22 [0,1,0,0,0,0|3,0,0]=4 222 B8R0.1 NOCC(=O)NCCS 18d27bf78c6e7759f1c46eb3797eeb7e [0,1,0,0,0,0|3,0,0]=4 223 B8R0.1 O=C(/C=C/Br)NCCS e568a16b4119ada4cca36ec8f376e641 [0,1,0,0,0,0|2,0,1]=4 224 B8R0.1 O=C(/C=C/Cl)NCCS ebaf3f76b817cf6c0ee5d569d39ee8e6 [0,1,0,0,0,0|2,0,1]=4 225 B8R0.1 O=C(/C=C/I)NCCS c63d44009a9e9423041fc2622495ac37 [0,1,0,0,0,0|2,0,1]=4 226 B8R0.1 O=C(/C=C\Br)NCCS 3c5c32890df8ec6c6da81de2c929ef92 [0,1,0,0,0,0|2,0,1]=4 227 B8R0.1 O=C(/C=C\Cl)NCCS 9e3e405079d8ba00ef4cedcb031a68c3 [0,1,0,0,0,0|2,0,1]=4 228 B8R0.1 O=C(/C=C\I)NCCS c252a1c153f5d69267d73179b790b13c [0,1,0,0,0,0|2,0,1]=4 229 B8R0.1 O=C(C#CBr)NCCS a4f97c97ad461c529b842c067d17194c [0,1,0,0,0,0|2,0,1]=4 230 B8R0.1 O=C(C=CBr)NCCS 622633ae69bd67969b3fa370ab6b804f [0,1,0,0,0,0|2,0,1]=4 231 B8R0.1 O=C(C=CI)NCCS f422101a0882459e9f592858e4dcb701 [0,1,0,0,0,0|2,0,1]=4 232 B8R0.1 O=C(CCF)NCCBr 4e6a83a04fff0ae2002d06f5532a71cf [0,1,0,0,0,0|2,0,0]=3 233 B8R0.1 O=C(CCF)NCCF 3ee47b2b4a969933bf6a2b7769d886d8 [0,1,0,0,0,0|2,0,0]=3 234 B8R0.1 O=C(CCF)NCCI 0514d32be9a459d35ff2d3dd8e59c8c1 [0,1,0,0,0,0|2,0,0]=3 235 B8R0.1 O=C(CCF)NCCO 8a006b90c0f677be977fd587da748001 [0,1,0,0,0,0|2,0,0]=3 236 B8R0.1 O=C(CCF)NCCS cc499bcf14cc4ef20c4a540fd4249535 [0,1,0,0,0,0|2,0,0]=3 237 B8R0.1 O=C(CCO)NCCBr 0598e39f87524871b714a958e56557af [0,1,0,0,0,0|1,1,0]=3 238 B8R0.1 O=C(CCO)NCCF fc3c58338add0c048e7e192017336dc4 [0,1,0,0,0,0|1,1,0]=3 239 B8R0.1 O=C(CCO)NCCI f4b9eac1b1d1ab1205b4f68c01e683b0 [0,1,0,0,0,0|1,1,0]=3 240 B8R0.1 O=C(CCO)NCCO baa85bba8951a71c692dae57f4f0b055 [0,1,0,0,0,0|1,1,0]=3 241 B8R0.1 O=C(CCO)NCCS 67e704856b61f7f4ce061f14d041dc6c [0,1,0,0,0,0|1,1,0]=3 242 B8R0.1 O=C(CCS)NCCBr 0eb47b0aecf2287af30d9b3e94e8bc58 [0,1,0,0,0,0|1,0,0]=2 243 B8R0.1 O=C(CCS)NCCF b7e186cad638003cfed1aa574b20f812 [0,1,0,0,0,0|1,0,0]=2 244 B8R0.1 O=C(CCS)NCCI 56f9d8039c6ce5f07f13c307d4e588bf [0,1,0,0,0,0|1,0,0]=2 245 B8R0.1 O=C(CCS)NCCO 41c5fbd04fe40888bf540f13522d8b85 [0,1,0,0,0,0|1,0,0]=2 246 B8R0.1 O=C(CCS)NCCS a425fac0fa57c463ae17426b0d0c8bcc [0,1,0,0,0,0|1,0,0]=2 247 B8R0.1 O=CCC(=O)NCCBr 8b1b2be7d6ffc84641a1c6691a60af35 [0,1,0,0,0,0|1,1,1]=4 248 B8R0.1 O=CCC(=O)NCCF 4ea801c19e9d5e221b09c0d94e9d22d6 [0,1,0,0,0,0|1,1,1]=4 249 B8R0.1 O=CCC(=O)NCCI 5e46bfbd499e49eb692800cabe7dbb38 [0,1,0,0,0,0|1,1,1]=4 250 B8R0.1 O=CCC(=O)NCCO f600ea136456fb823bf20010f6243059 [0,1,0,0,0,0|1,1,1]=4 251 B8R0.1 O=CCC(=O)NCCS a557fd8735c6b5636e1772043f123e46 [0,1,0,0,0,0|1,1,1]=4 252 B8R0.3 C#CCC(=O)N(C)CC 73ca8c63a4707a0b6119f039b47faca5 [0,1,0,0,0,0|2,0,1]=4 253 B8R0.3 C=CCC(=O)N(C)CC f1b04e365d34b887e43935a62308491d [0,1,0,0,0,0|2,0,1]=4 254 B8R0.3 CCC(C)N(C)CCS 4bdb870fddc268a2f497a46b052eb447 [0,1,0,0,0,0|3,0,0]=4 255 B8R0.3 CCCC(=O)N(C)CC d5f34bd9db3ccc82fc95365990f29579 [0,1,0,0,0,0|2,0,0]=3 256 B8R0.3 CCN(C)C(=O)CC#N dcebfd9a9f7d27a407319d1e05af0791 [0,1,0,0,0,0|2,0,1]=4 257 B8R0.3 CCN(C)C(=O)CC=O b54fcccc9e3ee76ebae8e137ce96a008 [0,1,0,0,0,0|1,1,1]=4 258 B8R0.3 CCN(C)C(=O)CCF e5a9ff21e8c2fcaad476896c3478fe71 [0,1,0,0,0,0|2,0,0]=3 259 B8R0.3 CCN(C)C(=O)CCO a768fc1ddb9cd71dd31e098b1227291c [0,1,0,0,0,0|1,1,0]=3 260 B8R0.3 CCN(C)C(=O)CCS 9063f4e5b939dc91c720aeb631377d8b [0,1,0,0,0,0|1,0,0]=2 261 B8R0.3 CCN(C)C(=O)COC bc075abf9590b9fbb9912b8588e5739b [0,1,0,0,0,0|3,0,0]=4 262 B8R0.3 CCN(C)C(=O)CON 6e0d14f683e9faf9643ea856a165130f [0,1,0,0,0,0|3,0,0]=4 263 B8R0.3 CCN(C)C(=O)CSC de841dcb44287d75dce30d4bffb7e292 [0,1,0,0,0,0|3,0,0]=4 264 B8R0.3 CCOC(C)C(C)CC bb6404bf405bb18f7200bca5bcafe98a [0,1,0,0,0,0|2,0,1]=4 265 B8R0.5 CC(C)CN(C)CCS 0b3ba8d7f9060567fc9ae93ef8f9a73d [0,1,0,0,0,0|3,0,0]=4 266 B8R0.5 CC(O)CN(C)CCS e7d6706e63901057284fa2788897ed93 [0,1,0,0,0,0|3,0,0]=4 267 B8R0.5 CCCC(=S)OC(C)C 79ff90d7e7d68c5664ea5acd6b8154a5 [0,1,0,0,0,0|1,1,0]=3 268 B8R0.5 CCCC(C)OC(C)C af28c67907ad8e9b80a1443e1881a09f [0,1,0,0,0,0|2,0,1]=4 269 B8R0.5 CCC[C@@H](C)OC(C)C 38af500727caf5ac56759d6ba34645ea [0,1,0,0,0,0|2,0,1]=4 270 B8R0.5 CCC[C@H](C)OC(C)C 39fe789680e7206034f6b275f2ba377c [0,1,0,0,0,0|2,0,1]=4 271 B8R0.5 CCOC(C)CC(C)C 30e2f8e558cfdda4b507d2297dd2dc70 [0,1,0,0,0,0|2,0,1]=4 272 B8R0.5 CCO[C@@H](C)CC(C)C 1e2bdc5c56411fd3cd17ac1c2858063c [0,1,0,0,0,0|2,0,1]=4 273 B8R0.5 CCO[C@H](C)CC(C)C 914881db7ee4a9dab17d292ad412afd8 [0,1,0,0,0,0|2,0,1]=4 274 B8R0.5 C[C@H](O)CN(C)CCS 4eb7ed53de9d466688e0eafcb5798f80 [0,1,0,0,0,0|3,0,0]=4 275 B8R0.22 C#CC(CCC)OCC f22d8bf31fea2adfe9fa207ed6558425 [0,1,0,0,0,0|2,0,1]=4 276 B8R0.22 C=CC(CCC)OCC 83f7ef8d30a51e1e5c4db64e2faf14e7 [0,1,0,0,0,0|2,0,1]=4 277 B8R0.22 CCCC(C#N)OCC a338cf0a28ea8309ca076bf548560d98 [0,1,0,0,0,0|2,0,1]=4 278 B8R0.22 CCCC(CC)OCC 2f33f90cfe6f34bcef6403a269e3e2c2 [0,1,0,0,0,0|2,0,1]=4 279 B8R0.22 CCCN(C=O)CCC b8d16e0fe5e219991097fa7af52168fc [0,1,0,0,0,0|3,0,0]=4 280 B8R0.22 CCCN(C=O)CCO 05c7e3c748b410d220017381f77da8d3 [0,1,0,0,0,0|2,1,0]=4 281 B8R0.22 CCCN(CC)CCS d13e9cb0503ea391c9c728c78375cf51 [0,1,0,0,0,0|3,0,0]=4 282 B8R0.22 CCC[C@@H](CC)OCC b58a52b0075a76b2b518807461776ed4 [0,1,0,0,0,0|2,0,1]=4 283 B8R0.22 CCOC(CBr)CCBr bf0b9f756baa32efc7ef5720cc6f409c [0,1,0,0,0,0|2,0,1]=4 284 B8R0.22 CCOC(CCl)CCCl 5c073036ccca816860f171e244686a83 [0,1,0,0,0,0|2,0,1]=4 285 B8R1.6 CCOC1CC(C1)C 67b3f93a8ec637ab1677a5244b5d5ac6 [0,0,0,1,0,0|2,0,1]=4 286 B8R1.6 CCOC1CC(C1)F 477477cd5ae524e7ec653702a607b82d [0,0,0,1,0,0|2,0,1]=4 287 B8R1.6 CCO[C@H]1C[C@@H](C1)F 4d0f90d423ad0f13c1d6efb260a96866 [0,0,0,1,0,0|2,0,1]=4 288 B8R1.6 CCO[C@H]1C[C@H](C1)F 78a70dff2abfb804b6b22550ffaf11eb [0,0,0,1,0,0|2,0,1]=4 289 B8R1.8 CCCN1CCSC1 4eb37c52d022d9b252d68ff1a2c12b91 [0,0,0,1,0,0|3,0,0]=4 290 B8R1.8 CCNC1CCSC1 aee8ffe16d160a5605af118e8c8a851c [0,0,0,1,0,0|2,0,1]=4 291 B8R1.8 CCOC1C=CCC1 162e1fb9b4b82c464c65e76d497ac2cf [0,0,0,1,0,0|2,0,1]=4 292 B8R1.8 CCOC1CCCC1 ce4ece9e93729f2dc32c7121b6646f41 [0,0,0,1,0,0|2,0,1]=4 293 B8R1.8 CCOC1CCCO1 ace7c24bdcea053e870832c56c8928c4 [0,0,0,1,0,0|1,0,2]=4 294 B8R1.8 CCOC1CCOC1 84e689fe0b2aea2f8383349931affd9e [0,0,0,1,0,0|1,1,1]=4 295 B8R1.8 CCOC1CCSC1 04aaf8fedcad347e8e4be0984e30209b [0,0,0,1,0,0|1,0,1]=3 296 B8R1.8 CCO[C@@H]1CCOC1 dbd17ccad3cb41f9c7226e5aa5839784 [0,0,0,1,0,0|1,1,1]=4 297 B8R1.8 CCO[C@@H]1CCSC1 6024b564e26ca7e04d7b02930d2316cc [0,0,0,1,0,0|1,0,1]=3 298 B8R1.8 CCO[C@H]1CCOC1 086f16e0470dc00d3e8d35a058f10144 [0,0,0,1,0,0|1,1,1]=4 299 B8R1.8 CCO[C@H]1CCSC1 2e0bfb0e7ce3291350197a8c174a6264 [0,0,0,1,0,0|1,0,1]=3 300 B8R1.8 CCOc1ccsc1 e97ca04b8e5d46ec67b2ebe625463cd4 [0,0,0,1,0,0|1,0,2]=4 301 B8R1.8 CCOc1cnsn1 cbc3d4fcb65623e96692df78fdd7dcfd [0,0,0,1,0,0|2,0,1]=4 302 B8R1.8 FCOC1CCSC1 f8f6f296ad6ade850e96ba039dea79ec [0,0,0,1,0,0|2,0,1]=4 303 B8R1.8 FCO[C@@H]1CCSC1 167bc92bd5239abe1a03b8937d910bee [0,0,0,1,0,0|2,0,1]=4 304 B8R1.8 FCO[C@H]1CCSC1 2d17ed5a52b01d81f24848fd9cde0e5b [0,0,0,1,0,0|2,0,1]=4 305 B8R1.37 CCOC(C)C1CC1 526fc3f0c823fc41b9199d1aa6541386 [0,0,0,1,0,0|2,0,1]=4 306 B8R1.37 CCO[C@@H](C)C1CC1 b9ad01da095d4dd4d383aa1d3c7eee6a [0,0,0,1,0,0|2,0,1]=4 307 B8R1.37 CCO[C@H](C)C1CC1 9827b3948c8d24070570177d9e2b7efe [0,0,0,1,0,0|2,0,1]=4 308 B8R1.37 CN(CCS)C1CC1 340ce15502d8807341f9362fff7ceb48 [0,0,0,1,0,0|3,0,0]=4 309 B5R0.1 CCOC(C)C e40579e838af0384b34ea3d488054b89 [2,0,0,0,0,0|1,0,1]=4 310 B5R0.2 C#CCOCC 625c68641a74502dc56dd1108cdba604 [2,0,0,0,0,0|1,0,1]=4 311 B5R0.2 CCCNCC 5224ca4332fe9f083a57aa92376290e9 [2,0,0,0,0,0|1,0,1]=4 312 B5R0.2 CCCOCC a0c48a14a19cfc2180230756acaf40ab [2,0,0,0,0,0|0,0,1]=3 313 B5R0.2 CCCOCF 3a09ada643594a0865eabd839c992d22 [2,0,0,0,0,0|1,0,1]=4 314 B5R0.2 CCNCCBr 6acf983ca8c05ad7adfc0e3d5b4f64f7 [2,0,0,0,0,0|2,0,0]=4 315 B5R0.2 CCNCCF f147a768cf60514004e1bcbf470c3410 [2,0,0,0,0,0|2,0,0]=4 316 B5R0.2 CCNCCI 8421b8d41316967e2680f733246bab7d [2,0,0,0,0,0|2,0,0]=4 317 B5R0.2 CCNCCO 2fc34530a6c959b43319124309163fa3 [2,0,0,0,0,0|1,1,0]=4 318 B5R0.2 CCNCCS e4a2a02ec4ecae7b609beae190ea9ee1 [2,0,0,0,0,0|1,0,0]=3 319 B5R0.2 CCOCC#N 0fd8a1783429ce080c52b3010d70b565 [2,0,0,0,0,0|1,0,1]=4 320 B5R0.2 CCOCCF e5d78433fc996ba51bd8a100b7998155 [2,0,0,0,0,0|1,0,0]=3 321 B5R0.2 CCOCCS 56f6087ed887f762fd2bdcb15935222f [2,0,0,0,0,0|0,0,0]=2 322 B5R0.2 CCOCOC 6cd815448945789916c4199ac0685ffd [2,0,0,0,0,0|1,0,1]=4 323 B5R0.2 FCCOCF ca742562f732a5154eefbdd51554f094 [2,0,0,0,0,0|2,0,0]=4 324 B5R0.2 FCNCCS ce51a6a3077027e3188387d313defd97 [2,0,0,0,0,0|2,0,0]=4 325 B5R0.2 FCOCCS 3aade357eac7f8414966cbb46c36a193 [2,0,0,0,0,0|1,0,0]=3 326 B5R0.2 OCNCCS 87671363bbc8ed0ee87af951e0008679 [2,0,0,0,0,0|2,0,0]=4 327 B5R0.3 CCN(C)CC ab5b03184b17818ff0d4295949ca4956 [2,0,0,0,0,0|2,0,0]=4 328 B7R0.2 CC(C)OC(C)CS f89a38446eb00d60fe9fa60b597f2b73 [1,1,0,0,0,0|1,0,1]=4 329 B7R0.2 CC(C)O[C@H](C)CS 75e7bc7c54e109d0d519f886fee3300f [1,1,0,0,0,0|1,0,1]=4 330 B7R0.2 CCC(C)OC(C)C 06c7f52afdb28395f9fa9574a364e474 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.2 CC[C@@H](C)OC(C)C be2816eab25b2a9101da766270106c57 [1,1,0,0,0,0|1,0,1]=4 332 B7R0.2 CC[C@H](C)OC(C)C 2c6d159b250df3bb005afd7417a4b5dc [1,1,0,0,0,0|1,0,1]=4 333 B7R0.3 C#CC(=O)NCCS 422c567f724a0e38807951b59910dcb8 [1,1,0,0,0,0|0,0,2]=4 334 B7R0.3 C#CCNC(=O)CC ef394171f7ba9dfda173330f309f7a5d [1,1,0,0,0,0|1,0,1]=4 335 B7R0.3 C#CCNC(=O)CS cd4e37f8b8830653a130a09363dce8f6 [1,1,0,0,0,0|1,0,1]=4 336 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [1,1,0,0,0,0|0,0,2]=4 337 B7R0.3 CC(CS)OCCF 5a14cb2acfb2d6d25be1b8f12b44b6ed [1,1,0,0,0,0|1,0,1]=4 338 B7R0.3 CC(CS)OCCS 4c5a0494234ba5cfb20d857e8ce0ca08 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.3 CCC(=O)CNC#N 5c4d1d2cbca480d29fea538bd5160350 [1,1,0,0,0,0|1,0,1]=4 340 B7R0.3 CCC(=O)COCF 0dfc429bc09e415d47df418ebade007a [1,1,0,0,0,0|1,0,0]=3 341 B7R0.3 CCC(=O)NCC#N 8ad58c7a251d01ba78f75279da47aa27 [1,1,0,0,0,0|1,0,1]=4 342 B7R0.3 CCC(=O)NCCBr 622c7e0d01006938ab3182a350e1ebd0 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.3 CCC(=O)NCCF 64c5d06137bf344ab2d9ef1c9d4f8989 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.3 CCC(=O)NCCI a607114f95a86326e4b8a49fc0dc2b27 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.3 CCC(=O)NCCO 7cd694fbe0a0792079b1131d041f8e7c [1,1,0,0,0,0|0,1,0]=3 346 B7R0.3 CCC(=O)NCCS 2d1553f99b093c5be0d2a8ed841e36c7 [1,1,0,0,0,0|0,0,0]=2 347 B7R0.3 CCC(C)NCCS 7a8d315a94e5493fa661ae8da8c0d7d5 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.3 CCC(C)OCCF b50b83f4cc04a33902077c0b3a238cbc [1,1,0,0,0,0|1,0,1]=4 349 B7R0.3 CCC(C)OCCS 0b195719e1e4b78092bc0c0213134f4f [1,1,0,0,0,0|1,0,1]=4 350 B7R0.3 CCC(C)OCOC 7b2a5b8cb8aef52b76ee0f9de192d2d0 [1,1,0,0,0,0|1,0,1]=4 351 B7R0.3 CCC(C)OCSC a5a0b25f047959799e9ece96fa20b187 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.3 CCCNC(=O)CC d52888c93ed9aa6cfb5138e6aae16063 [1,1,0,0,0,0|1,0,0]=3 353 B7R0.3 CCCNC(=O)CF 67a342107ae82918e7753da6150a6f54 [1,1,0,0,0,0|2,0,0]=4 354 B7R0.3 CCCNC(=O)CO 695700e0c0155474a56ee68a189e270e [1,1,0,0,0,0|1,1,0]=4 355 B7R0.3 CCCNC(=O)CS 91632e7a8866d5c8829272afb3b260d7 [1,1,0,0,0,0|1,0,0]=3 356 B7R0.3 CCCOC(C)CC 98a624a488dc392a35e8b0b44aac3f30 [1,1,0,0,0,0|1,0,1]=4 357 B7R0.3 CCCOC(C)CS 3831bbe85ee4c34ff42a76d0b53dbb5c [1,1,0,0,0,0|1,0,1]=4 358 B7R0.3 CCCO[C@@H](C)CC af9e77ade15ce19a7659cd0cba0e805a [1,1,0,0,0,0|1,0,1]=4 359 B7R0.3 CCCO[C@H](C)CC aceb38a7b284bb9c5e1ae0a6fb45caa0 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.3 CCCO[C@H](C)CS 34c71dbcb154ce995a79e0481e98962a [1,1,0,0,0,0|1,0,1]=4 361 B7R0.3 CCN(C)CCCS 4332e180b042c428772cc564602cf5d6 [1,1,0,0,0,0|2,0,0]=4 362 B7R0.3 CCN(C)CCSC 4e1bdb1a0d6eba176a369aa29a4d6d63 [1,1,0,0,0,0|2,0,0]=4 363 B7R0.3 CCNCC(=O)NC 6e0bba6a22fc3bc37e6c3e6f60c6e36a [1,1,0,0,0,0|2,0,0]=4 364 B7R0.3 CCNCC(=O)OC b1dca081e4a690ea6b077cbe8021ba9d [1,1,0,0,0,0|1,0,0]=3 365 B7R0.3 CCOCC(=O)CC 13cc2d887732afb318f359551753b6fc [1,1,0,0,0,0|0,0,0]=2 366 B7R0.3 CCOCC(=O)NC c799fcda6efa9f3f97fe8695cdef5794 [1,1,0,0,0,0|1,0,0]=3 367 B7R0.3 CCOCC(=O)OC b7ea85ad64af7662897e0490968d63a7 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.3 CCOCC(C)CC b48ffd68a9924a596413f28a1f26cd9a [1,1,0,0,0,0|1,0,1]=4 369 B7R0.3 CCOCC(S)CS d80bb4af4d3d9e7ea521ee7f1ce8c4cb [1,1,0,0,0,0|0,1,1]=4 370 B7R0.3 CCOCN(C)CC 943ae7cd82ee7e4032615894df227ae8 [1,1,0,0,0,0|2,0,0]=4 371 B7R0.3 CCOC[C@@H](C)CC 24d1c149f27d56a7b1370d3d84a93c4a [1,1,0,0,0,0|1,0,1]=4 372 B7R0.3 CCOC[C@H](C)CC e4857d3b038c108c7619c84891e8a2f7 [1,1,0,0,0,0|1,0,1]=4 373 B7R0.3 CC[C@@H](C)NCCS 34946916ab9d46b94332e25fb6d97f4b [1,1,0,0,0,0|1,0,1]=4 374 B7R0.3 CC[C@@H](C)OCCF 9a9e445f08d44c81e417052c615c3334 [1,1,0,0,0,0|1,0,1]=4 375 B7R0.3 CC[C@@H](C)OCCS c58b0dc1d2db79db526d0ab1218bffc7 [1,1,0,0,0,0|1,0,1]=4 376 B7R0.3 CC[C@@H](C)OCOC 5dd2de1ba91f6cde19e7a670f775c35c [1,1,0,0,0,0|1,0,1]=4 377 B7R0.3 CC[C@@H](C)OCSC 07780bc57acd6b7b99e87c445c42d82f [1,1,0,0,0,0|1,0,1]=4 378 B7R0.3 CC[C@H](C)NCCS e1691e0903c1eea23ce2232b4f4ff483 [1,1,0,0,0,0|1,0,1]=4 379 B7R0.3 CC[C@H](C)OCCF b495df4c5acd12e724246ab7aab5bcc3 [1,1,0,0,0,0|1,0,1]=4 380 B7R0.3 CC[C@H](C)OCCS d78ff3c7dda26d3bc7cef65283cd3558 [1,1,0,0,0,0|1,0,1]=4 381 B7R0.3 CC[C@H](C)OCOC 841bb4da5d82dffee5f6f29fdb10c40b [1,1,0,0,0,0|1,0,1]=4 382 B7R0.3 CC[C@H](C)OCSC 879c6380126ff9fd0bdc6f15a431ea23 [1,1,0,0,0,0|1,0,1]=4 383 B7R0.3 CNC(=O)CNCF d5935a4dfdc95c99073aff1d972a237b [1,1,0,0,0,0|2,0,0]=4 384 B7R0.3 CNC(=O)CNCO 2e658419398257218282eb38e85373dc [1,1,0,0,0,0|1,1,0]=4 385 B7R0.3 CNC(=O)COCF ee658a087bac7b7433b26d422d1c0261 [1,1,0,0,0,0|2,0,0]=4 386 B7R0.3 COC(=O)CNC#N 05f4cf7e93aff5d764fa5ad76ede0782 [1,1,0,0,0,0|1,0,1]=4 387 B7R0.3 COC(=O)CNC=O 4035363612cad4721a397e3e776f2bc3 [1,1,0,0,0,0|0,1,1]=4 388 B7R0.3 COC(=O)CNCF d0cb09e31ddbdd9ba78eb9af662306ae [1,1,0,0,0,0|1,0,0]=3 389 B7R0.3 COC(=O)CNCO 4580192aaef22809041b4d69cba5e872 [1,1,0,0,0,0|0,1,0]=3 390 B7R0.3 COC(=O)COCF fd3305c5ca341d194c1950aa91cbc248 [1,1,0,0,0,0|1,0,0]=3 391 B7R0.3 CSCOC(C)CS e72ba884b9015d7996527663a2b23dcf [1,1,0,0,0,0|1,0,1]=4 392 B7R0.3 CSCO[C@H](C)CS f2b1cd8743208a95078103d175668411 [1,1,0,0,0,0|1,0,1]=4 393 B7R0.3 C[C@H](CS)OCCF e802a848389fb605db8d861c1c53c8bb [1,1,0,0,0,0|1,0,1]=4 394 B7R0.3 C[C@H](CS)OCCS f4b2ba60b9ef84050b5c98d7dfd70389 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.3 N#CCNC(=O)CS 86a7da4cf1eaa1e98a4819073113dcc9 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.3 O=C(CF)NCCBr 673baad86e5eefbb1b8c6ebb8cd73ae0 [1,1,0,0,0,0|2,0,0]=4 397 B7R0.3 O=C(CF)NCCF 67f25bcd080b5d85cd6525c56f31ea47 [1,1,0,0,0,0|2,0,0]=4 398 B7R0.3 O=C(CF)NCCI 1267d8b8b0da94faf267955e2b6d3339 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.3 O=C(CF)NCCO 249c36c08dc5400834b319c39099c4e4 [1,1,0,0,0,0|1,1,0]=4 400 B7R0.3 O=C(CF)NCCS 6fbf26912db8657dfac73b7a38962924 [1,1,0,0,0,0|1,0,0]=3 401 B7R0.3 O=C(CO)NCCBr 0d2e958569fc4d07a30343b37bac9c1d [1,1,0,0,0,0|1,1,0]=4 402 B7R0.3 O=C(CO)NCCF b7f1aa95ae5b9ced38af3286ec11730a [1,1,0,0,0,0|1,1,0]=4 403 B7R0.3 O=C(CO)NCCI 800c7155616705269676d2b386ed78aa [1,1,0,0,0,0|1,1,0]=4 404 B7R0.3 O=C(CO)NCCO 50003864fda33c69c3e5fa91ade641a0 [1,1,0,0,0,0|1,1,0]=4 405 B7R0.3 O=C(CO)NCCS 26e52ec354a3b7189e72bcae6a8d0219 [1,1,0,0,0,0|1,0,0]=3 406 B7R0.3 O=C(CS)NCCBr 4b08241ea1d7b8a0c4334c82506d75b0 [1,1,0,0,0,0|1,0,0]=3 407 B7R0.3 O=C(CS)NCCF d3c5664c15544d35b4683a8663e5b57d [1,1,0,0,0,0|1,0,0]=3 408 B7R0.3 O=C(CS)NCCI 95020692b0f8665c0c31cb074bf3f310 [1,1,0,0,0,0|1,0,0]=3 409 B7R0.3 O=C(CS)NCCO 1770b4a33c0d2574e46d3e387e79cf7a [1,1,0,0,0,0|1,0,0]=3 410 B7R0.3 O=C(CS)NCCS a9285f587f9c002b8ab7f77509aee977 [1,1,0,0,0,0|1,0,0]=3 411 B7R0.3 O=CC(=O)NCCS 8f21f47feaeb7f9710321d6778c69f89 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.5 CC(C)N(C)CCS c1764d6a23c86a90688037664afc4e82 [1,1,0,0,0,0|2,0,0]=4 413 B7R0.5 CCOC(C)C(C)C bb142acd6bd0d3536405c513b06eea53 [1,1,0,0,0,0|1,0,1]=4 414 B7R0.5 CCOC(C)C(C)S e76d621ef1113c6e6d1e86237ce3aa29 [1,1,0,0,0,0|1,0,1]=4 415 B7R0.5 CCO[C@@H](C)C(C)C 730945e6bcfbc2b11622279903eef1de [1,1,0,0,0,0|1,0,1]=4 416 B7R0.5 CCO[C@H](C)C(C)C 443e2922f1cca86413940e6d728bd16d [1,1,0,0,0,0|1,0,1]=4 417 B7R0.10 CCC(=O)N(C)CC 307c98a15c6ddf11013971017d018a3f [1,1,0,0,0,0|1,0,0]=3 418 B7R0.10 CCN(C)C(=O)CF 54aaf1a54644f658afd3f400769d8763 [1,1,0,0,0,0|2,0,0]=4 419 B7R0.10 CCN(C)C(=O)CO ed09d31f2cea5da5288bffcd06a685cb [1,1,0,0,0,0|1,1,0]=4 420 B7R0.10 CCN(C)C(=O)CS 733bcf40a4acbb7ca1e0cf3589cee1e7 [1,1,0,0,0,0|1,0,0]=3 421 B7R0.12 C#CC(CC)OCC 6abeb838fcea8b6a2cba4e33dc1c0f32 [1,1,0,0,0,0|1,0,1]=4 422 B7R0.12 C=CC(CC)OCC 3384f4e6ac585bde2972dae19026fd2c [1,1,0,0,0,0|1,0,1]=4 423 B7R0.12 CCCN(C=O)CC c9c4d92e42201b75307332d9c7692aa9 [1,1,0,0,0,0|2,0,0]=4 424 B7R0.12 CCN(C=O)CCCl 03512ce3018e8845973ab6d439faef81 [1,1,0,0,0,0|2,0,0]=4 425 B7R0.12 CCN(C=O)CCO f06d113e63228ddd0fbad99b8e842127 [1,1,0,0,0,0|1,1,0]=4 426 B7R0.12 CCOC(C#N)CC 7e047b05d0e19c947a2b74261d14c997 [1,1,0,0,0,0|1,0,1]=4 427 B7R0.12 CCOC(CC)CC 60351d1ac9a51febe159ba00076742a6 [1,1,0,0,0,0|1,0,1]=4 428 B7R0.1 C#CCCCOCC 89b5785422e0fe7d3bd84144232498f7 [1,1,0,0,0,0|1,0,1]=4 429 B7R0.1 C#CCOCCCS d2780b6c136095e09224f9173c87e1a2 [1,1,0,0,0,0|0,0,2]=4 430 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [1,1,0,0,0,0|1,0,1]=4 431 B7R0.1 C=CCOCCCS 98c759132458623b822e3bded1f3e66b [1,1,0,0,0,0|0,0,2]=4 432 B7R0.1 CC/C=C/COCC d420f3a465c03dc90c07c9e880250d83 [1,1,0,0,0,0|1,0,1]=4 433 B7R0.1 CC/C=C/COCF 76630f28c8771d1514152e0bc31d0edd [1,1,0,0,0,0|2,0,0]=4 434 B7R0.1 CC/C=C\COCC bb199043dc18f58477d73da90b8039ab [1,1,0,0,0,0|1,0,1]=4 435 B7R0.1 CC/C=C\COCF 3d97aa00a2febfaa2982d62e55da7929 [1,1,0,0,0,0|2,0,0]=4 436 B7R0.1 CCCCCOCC bc8c76b482c8637477570a20a92424f9 [1,1,0,0,0,0|1,0,1]=4 437 B7R0.1 CCCCNCCS e10b263df14eb689519a5b45c170340c [1,1,0,0,0,0|1,0,1]=4 438 B7R0.1 CCCCOCCC e85630c69ee3c8e8f032efaf949c778a [1,1,0,0,0,0|1,0,1]=4 439 B7R0.1 CCCCOCCF 174e59bdf2395ea80ece65db27934915 [1,1,0,0,0,0|1,0,1]=4 440 B7R0.1 CCCCOCCS 74c4cbde8803965399df836274456678 [1,1,0,0,0,0|1,0,1]=4 441 B7R0.1 CCCCOCOC 9cbd5d2e1afa2f28354b07c6bb86bcff [1,1,0,0,0,0|1,0,1]=4 442 B7R0.1 CCCCOCSC 6214365bdf8f1aabc77c5be5879f4319 [1,1,0,0,0,0|1,0,1]=4 443 B7R0.1 CCCNCCCS fc06966689a479decefc05eb0a8ab32b [1,1,0,0,0,0|1,0,1]=4 444 B7R0.1 CCCNCCSC 3757aef87d98f69d6de97ecc900f7388 [1,1,0,0,0,0|2,0,0]=4 445 B7R0.1 CCCNCOCC f89dea50a122fa5932f7231cba792011 [1,1,0,0,0,0|1,0,1]=4 446 B7R0.1 CCCOCCCF 522fb4722b6639ce9c12cb71accf1c57 [1,1,0,0,0,0|1,0,1]=4 447 B7R0.1 CCCOCCCS c6a4adfcc507637ade07069cbc203677 [1,1,0,0,0,0|0,0,1]=3 448 B7R0.1 CCCOCCSC b3590bd253aafe46029a55cc708714f0 [1,1,0,0,0,0|2,0,0]=4 449 B7R0.1 CCCOCOCC e1fcffafca5dab827c13d8468a4e4aff [1,1,0,0,0,0|1,0,1]=4 450 B7R0.1 CCNCCCCS 4d91597b38f1a9587a1a3a986f181250 [1,1,0,0,0,0|1,0,1]=4 451 B7R0.1 CCNCCCSC aa8dfcab5e82af1c5df7e93c6119936d [1,1,0,0,0,0|1,0,1]=4 452 B7R0.1 CCNCCOCC e33ba910d026a1283fba761527911515 [1,1,0,0,0,0|1,0,1]=4 453 B7R0.1 CCOCCCC#N 948f97b854455bf5a7dc5b58c1f47f3e [1,1,0,0,0,0|1,0,1]=4 454 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [1,1,0,0,0,0|0,1,1]=4 455 B7R0.1 CCOCCCCF a309ddf8ba0f9055832bde37214b59d2 [1,1,0,0,0,0|1,0,1]=4 456 B7R0.1 CCOCCCCS 29d95ab249579051b9ba4b50c383360a [1,1,0,0,0,0|0,0,1]=3 457 B7R0.1 CCOCCCOC a7162a0b2ffcde779cbd4b369203415c [1,1,0,0,0,0|0,1,1]=4 458 B7R0.1 CCOCCCSC be404ed3e31ed74d0583a7b0fdd85c14 [1,1,0,0,0,0|0,0,1]=3 459 B7R0.1 CCOCCNCF 192b9172bb386f67e6f22749157a2b40 [1,1,0,0,0,0|1,0,1]=4 460 B7R0.1 CCOCCNCO e2eefbd861380598dec880b760814d85 [1,1,0,0,0,0|0,1,1]=4 461 B7R0.1 CCOCCOCC 0e67836f7951e4d542cdaecda70d9cec [1,1,0,0,0,0|1,0,1]=4 462 B7R0.1 CCOCCOCF 480e61a3f34351f7f6b3989331094335 [1,1,0,0,0,0|1,0,1]=4 463 B7R0.1 CCOCCSCC 15148439503b47dc3011533709c6631e [1,1,0,0,0,0|1,0,1]=4 464 B7R0.1 CCOCNCCBr 1827db2361912a3e925649aba42666a5 [1,1,0,0,0,0|1,0,1]=4 465 B7R0.1 CCOCNCCF b62ef1c74f3a371f515bff0f94e4a986 [1,1,0,0,0,0|1,0,1]=4 466 B7R0.1 CCOCNCCI dfc16f7c8e4cd71609ed0df3faf045e6 [1,1,0,0,0,0|1,0,1]=4 467 B7R0.1 CCOCNCCO f221c34d35f484f7601137254b505360 [1,1,0,0,0,0|0,1,1]=4 468 B7R0.1 CCOCNCCS 61cac2ef7667a598f9431aaf8578ce69 [1,1,0,0,0,0|0,0,1]=3 469 B7R0.1 CCOCOCCS f026d3a8c3aa4a6570f751e16a6f3578 [1,1,0,0,0,0|0,0,1]=3 470 B7R0.1 COCCNCCS c0a317f4b6286b56fe7eca7ac272c8f5 [1,1,0,0,0,0|2,0,0]=4 471 B7R0.1 COCCOCCS 8f2426725fd10f0093a25980f3885bf6 [1,1,0,0,0,0|2,0,0]=4 472 B7R0.1 COCOCCCF ea9ab696bc11b376553e55283bba40b0 [1,1,0,0,0,0|1,0,1]=4 473 B7R0.1 COCOCCCS c9a5ae4ccf577982766fcc6a9836964f [1,1,0,0,0,0|0,0,1]=3 474 B7R0.1 CSCCCOCF cac4a2023f18fecfef532a4dd1cfe7d1 [1,1,0,0,0,0|1,0,1]=4 475 B7R0.1 CSCCNCCS bdb5b2bb4b62742eac983ce8d1d9f54f [1,1,0,0,0,0|2,0,0]=4 476 B7R0.1 CSCCOCCS 88341594722383d10f6ed6cbf42a47db [1,1,0,0,0,0|2,0,0]=4 477 B7R0.1 CSCOCCCF 60ff695173cadbfa45054bdc1853270f [1,1,0,0,0,0|1,0,1]=4 478 B7R0.1 CSCOCCCS 4435e9a90a047badb2b6d713e0445552 [1,1,0,0,0,0|0,0,1]=3 479 B7R0.1 FCCCNCCS aa9cf5baa1390498a4d22fc5bb56f9a3 [1,1,0,0,0,0|2,0,0]=4 480 B7R0.1 FCCCOCCF fca0942a564795f2da96aa3bdfc98a19 [1,1,0,0,0,0|1,0,1]=4 481 B7R0.1 FCCCOCCS 81bc46547292bbd00e5f82ac34ad84ba [1,1,0,0,0,0|1,0,1]=4 482 B7R0.1 FCCNCCCS 1b80d3c194b1768a056ab7f50165e404 [1,1,0,0,0,0|1,0,1]=4 483 B7R0.1 FCCOCCCS c8ba8fe92c3ea035b23c022cec48d645 [1,1,0,0,0,0|0,0,1]=3 484 B7R0.1 FCOCCCCS 2a152d1f18d97aad9e2418d39187145d [1,1,0,0,0,0|1,0,1]=4 485 B7R0.1 N#CCOCCCS 3c2defd9fab2628e3af6d6b3cfddb262 [1,1,0,0,0,0|0,0,2]=4 486 B7R0.1 O=CCOCCCS cee0da51fe633a0479c401372ce33e5f [1,1,0,0,0,0|0,0,2]=4 487 B7R0.1 OCCCNCCS a78d7d11eead19ac41bdcdfaa23aa4c3 [1,1,0,0,0,0|2,0,0]=4 488 B7R0.1 OCCNCCCS c5d3e46e0ec074044c852191bd32ce81 [1,1,0,0,0,0|1,0,1]=4 489 B7R0.1 SCCCNCCBr c76d64532c3c4e30b8e88db0eb0574e0 [1,1,0,0,0,0|1,0,1]=4 490 B7R0.1 SCCCNCCI 9c2dc60770e500e6ef6356d791aa9449 [1,1,0,0,0,0|1,0,1]=4 491 B7R0.1 SCCCNCCS 6da2f9a140fa6ffc40782d51ddbbf523 [1,1,0,0,0,0|1,0,1]=4 492 B7R0.1 SCCCOCCS 51e8e4f1171e572a4260dbc376b0f4f6 [1,1,0,0,0,0|0,0,1]=3 493 B7R0.1 SCCNCCCCl f754f13d7aad8b18d312c4be1245ea2e [1,1,0,0,0,0|2,0,0]=4 494 B7R0.4 CC(C)CNCCS 0f3531c02e7e4d73732ad308afcb17e1 [1,1,0,0,0,0|2,0,0]=4 495 B7R0.4 CC(C)COCCS 84ea4ff8f634d7739886cdbaa6625a00 [1,1,0,0,0,0|2,0,0]=4 496 B7R0.4 CC(C)OCCCF 4d070417a783226fcc67bd342ecf7613 [1,1,0,0,0,0|1,0,1]=4 497 B7R0.4 CC(C)OCCCS 3817134d1cec338c192448359f8580cb [1,1,0,0,0,0|0,0,1]=3 498 B7R0.4 CC(F)COCCS 8d2984085a69d91abfeadd49afaeec93 [1,1,0,0,0,0|2,0,0]=4 499 B7R0.4 CC(O)CNCCS 460faff2bd822e3fb542bd4f386088ee [1,1,0,0,0,0|2,0,0]=4 500 B7R0.4 CC(S)COCCS 0983b2499bf7b6b754e79e2d709efcf5 [1,1,0,0,0,0|2,0,0]=4 501 B7R0.4 CCCCOC(C)C eb1bac952091f26d8e354583c355080c [1,1,0,0,0,0|1,0,1]=4 502 B7R0.4 CCCOCC(C)S be744eae5a3365df2c9fc241f88d0c34 [1,1,0,0,0,0|2,0,0]=4 503 B7R0.4 CCOCCC(C)C a81ef4c75f60509d0095bacdc570a8e6 [1,1,0,0,0,0|1,0,1]=4 504 B7R0.4 CCOCCC(F)F 465ac5bfc94ba71d3501c35192443249 [1,1,0,0,0,0|1,0,1]=4 505 B7R0.4 C[C@@H](F)COCCS bfd1f029789b1190dba2ea5476759c7f [1,1,0,0,0,0|2,0,0]=4 506 B7R0.4 C[C@@H](O)CNCCS 36bf6989b461aa9b67b95a0edd91af08 [1,1,0,0,0,0|2,0,0]=4 507 B7R0.4 C[C@H](F)COCCS 2e8d8a893b1bd1c8bd8b5bd8050b0a6b [1,1,0,0,0,0|2,0,0]=4 508 B7R0.4 C[C@H](O)CNCCS a9946cdb75b18365d5d002024cd9bdf6 [1,1,0,0,0,0|2,0,0]=4 509 B9R0.4 C/C(=C/C(=O)NCCS)/Cl 2289048cb48db5d1a7e7ef9f6e6df48c [0,2,0,0,0,0|1,0,1]=4 510 B9R0.4 C/C(=C/C(=O)NCCS)/I 701a81372bdb6e550efb051f8311b45b [0,2,0,0,0,0|1,0,1]=4 511 B9R0.4 C/C(=C\C(=O)NCCS)/Cl e4eb40cc101cec86249cdb869c14cd73 [0,2,0,0,0,0|1,0,1]=4 512 B9R0.4 C=C(C)CC(=O)NCCS 966c3ac370c4935b40bf91e5c8bf29bf [0,2,0,0,0,0|1,0,1]=4 513 B9R0.4 CC(=CC(=O)NCCS)C 87c3ecbe77a74ca18edcba4dbcdd8a13 [0,2,0,0,0,0|1,0,1]=4 514 B9R0.4 CC(=CC(=O)NCCS)I 97118e350934aed37511164d62db8bf3 [0,2,0,0,0,0|1,0,1]=4 515 B9R0.4 CC(=O)CC(=O)NCCS e51e8d1f67904b60c7319d33eadebd70 [0,2,0,0,0,0|1,0,1]=4 516 B9R0.4 CC(C)CC(=O)NCCBr f3f37f4a91caaf8874aac99404e28d0c [0,2,0,0,0,0|2,0,0]=4 517 B9R0.4 CC(C)CC(=O)NCCF 98c8b005291c000c685f2639e5baf1af [0,2,0,0,0,0|2,0,0]=4 518 B9R0.4 CC(C)CC(=O)NCCI ee01ae82d906b709e1de6da7bb133f21 [0,2,0,0,0,0|2,0,0]=4 519 B9R0.4 CC(C)CC(=O)NCCO 6c715f945a2b8842828200acbf60538e [0,2,0,0,0,0|1,1,0]=4 520 B9R0.4 CC(C)CC(=O)NCCS cefdecc229edd49f32be6a54aa54d3ae [0,2,0,0,0,0|1,0,0]=3 521 B9R0.4 CC(C)NC(=O)CNCF e2081d917b1f17629995eb911df72bf8 [0,2,0,0,0,0|2,0,0]=4 522 B9R0.4 CC(C)NC(=O)CNCO 2b7fcb85b750470effe64e00fc06dd1e [0,2,0,0,0,0|1,1,0]=4 523 B9R0.4 CC(C)NC(=O)COCF 1fd8a382c6a2d3762960ebe331d15d90 [0,2,0,0,0,0|2,0,0]=4 524 B9R0.4 CC(C)OC(=O)CNC#N c6f701100046e3a4e8578d338f8614e0 [0,2,0,0,0,0|1,0,1]=4 525 B9R0.4 CC(C)OC(=O)COCF f7410181de637c69760136afa1a62a91 [0,2,0,0,0,0|1,0,0]=3 526 B9R0.4 CC(O)CC(=O)NCCBr 7265682de9a84ddec65c34ea3939bed5 [0,2,0,0,0,0|1,1,0]=4 527 B9R0.4 CC(O)CC(=O)NCCF 786cfff5b497e6d223e9ba5ae35c5a70 [0,2,0,0,0,0|1,1,0]=4 528 B9R0.4 CC(O)CC(=O)NCCI d5e82af76f90322e609e6dce55b1762f [0,2,0,0,0,0|1,1,0]=4 529 B9R0.4 CC(O)CC(=O)NCCO 859a0f6b2813ebb22709a20a11ef68f4 [0,2,0,0,0,0|1,1,0]=4 530 B9R0.4 CC(O)CC(=O)NCCS c4825b4c0603e04c3edc801a419b69b0 [0,2,0,0,0,0|1,0,0]=3 531 B9R0.4 CCCNC(=O)CC(C)C 758b6e1cd25acf226be8847d4e56cf2d [0,2,0,0,0,0|2,0,0]=4 532 B9R0.4 CCCNC(=O)CC(C)O 7110cd96b9f553bdbd25c874da6cd8e3 [0,2,0,0,0,0|1,1,0]=4 533 B9R0.4 CCCNC(=O)CC(F)F 52c68a9d950bb2a6a33b5b1de9720b80 [0,2,0,0,0,0|2,0,0]=4 534 B9R0.4 CCCNC(=O)C[C@@H](C)O 3cf3a463b314165c7bf9273f0f25f256 [0,2,0,0,0,0|1,1,0]=4 535 B9R0.4 CCCNC(=O)C[C@H](C)O fa4a14e2d0b155af615e65989556a1f9 [0,2,0,0,0,0|1,1,0]=4 536 B9R0.4 CCNCC(=O)NC(C)C d0a476cf293a50ce526d48d0080d41db [0,2,0,0,0,0|2,0,0]=4 537 B9R0.4 CCOCC(=O)NC(C)C 18e0b25d15c2ef546bbcf6627c9ea33b [0,2,0,0,0,0|2,0,0]=4 538 B9R0.4 CCOCC(=O)OC(C)C a46f2e33e4c4b2ce3b4ebe5c5f8af7d8 [0,2,0,0,0,0|1,0,0]=3 539 B9R0.4 CN(C)CC(=O)NCCS 9a1bd523d3922d9565e4fb00fd7c0538 [0,2,0,0,0,0|2,0,0]=4 540 B9R0.4 CSCCC(C)OC(C)C eaddea528e3549d504874d9a0e18465f [0,2,0,0,0,0|1,0,1]=4 541 B9R0.4 C[C@@H](O)CC(=O)NCCBr 4162112a04e1def98a760cf92de0d4b2 [0,2,0,0,0,0|1,1,0]=4 542 B9R0.4 C[C@@H](O)CC(=O)NCCF 8ce16f8043c6632b89da237ae23d695e [0,2,0,0,0,0|1,1,0]=4 543 B9R0.4 C[C@@H](O)CC(=O)NCCI 7c9a56a4bd4a2de50ebc4ce96f107790 [0,2,0,0,0,0|1,1,0]=4 544 B9R0.4 C[C@@H](O)CC(=O)NCCO e706ccfcca3ab825e8ef1abe6c510a65 [0,2,0,0,0,0|1,1,0]=4 545 B9R0.4 C[C@@H](O)CC(=O)NCCS e0aedd0a825011b0a41fba2ef59047bf [0,2,0,0,0,0|1,0,0]=3 546 B9R0.4 C[C@H](O)CC(=O)NCCBr 5eb67d8a34d442861de65bfcd6b465db [0,2,0,0,0,0|1,1,0]=4 547 B9R0.4 C[C@H](O)CC(=O)NCCF 1a3551616ccb6c76691c75648c3a8d5b [0,2,0,0,0,0|1,1,0]=4 548 B9R0.4 C[C@H](O)CC(=O)NCCI e67499b28b25ae89473abf57f6939a89 [0,2,0,0,0,0|1,1,0]=4 549 B9R0.4 C[C@H](O)CC(=O)NCCO d5a139c3bfb8313edb0b04fbe3c45daa [0,2,0,0,0,0|1,1,0]=4 550 B9R0.4 C[C@H](O)CC(=O)NCCS 610a9a3cc25adf16dc1f3466a99d74ab [0,2,0,0,0,0|1,0,0]=3 551 B9R0.4 O=C(CC(F)F)NCCBr c6003dd6e2c80e4dfe2f6e5e36a6351a [0,2,0,0,0,0|2,0,0]=4 552 B9R0.4 O=C(CC(F)F)NCCF f8c24dc2d262770e6bce7242fb75d2f0 [0,2,0,0,0,0|2,0,0]=4 553 B9R0.4 O=C(CC(F)F)NCCI 9bdc0141d5633fff92597caf3e38e96c [0,2,0,0,0,0|2,0,0]=4 554 B9R0.4 O=C(CC(F)F)NCCO c37cdfd0aabae7f3520fcd31163f2af4 [0,2,0,0,0,0|2,0,0]=4 555 B9R0.4 O=C(CC(F)F)NCCS ae9971fead166894c59a8613a622ca0f [0,2,0,0,0,0|2,0,0]=4 556 B9R0.5 C#CCCNC(=O)CCC 010ec079c645d74cd5f900edc483ff97 [0,2,0,0,0,0|2,0,0]=4 557 B9R0.5 C#CCCNC(=O)CCF de024a9823621925541e30a3da65aff8 [0,2,0,0,0,0|2,0,0]=4 558 B9R0.5 C#CCCNC(=O)CCO 3148674dc40585de35d91a03f89504f9 [0,2,0,0,0,0|1,1,0]=4 559 B9R0.5 C#CCCNC(=O)CCS 4e6ee7c26b915f74e09fc6e59dede9e7 [0,2,0,0,0,0|1,0,0]=3 560 B9R0.5 C#CCCOC(=S)CCC d5e3e5bf11ed3e0160f0cb8e507cdb3d [0,2,0,0,0,0|1,1,0]=4 561 B9R0.5 C#CCNCC(=O)CCC 7c95775097695a11b7d7b3efd3645dc6 [0,2,0,0,0,0|2,0,0]=4 562 B9R0.5 C#CCNCC(=O)NCC 4f5b4284dcfcb07c742c59ba2461dc7b [0,2,0,0,0,0|2,0,0]=4 563 B9R0.5 C#CCNCC(=O)OCC 3caaed1b796817b3e6405fbf790c0d84 [0,2,0,0,0,0|1,0,0]=3 564 B9R0.5 C#CCOCC(=O)CCC 7694f2ae952970840898af50771d0440 [0,2,0,0,0,0|1,0,1]=4 565 B9R0.5 C#CCOCC(=O)NCC f5bed243e3481825a64b5138fc35719b [0,2,0,0,0,0|2,0,0]=4 566 B9R0.5 C#CCOCC(=O)OCC 5491ddb425f5118c7f41ad7bdc7f8f32 [0,2,0,0,0,0|1,0,0]=3 567 B9R0.5 C/C=C/C(=O)NCCSC 511f725aa22409925ae3fcaac286c68d [0,2,0,0,0,0|1,0,1]=4 568 B9R0.5 C/C=C/COC(=S)CCC e7cad298ccba9104c0d980de29f137f4 [0,2,0,0,0,0|1,1,0]=4 569 B9R0.5 C/C=C\COC(=S)CCC d856881e8d482988bbba7c3bfef6df70 [0,2,0,0,0,0|1,1,0]=4 570 B9R0.5 C=CCCNC(=O)CCC cf53a2db9c6b8bf112b423fceb3e3e88 [0,2,0,0,0,0|2,0,0]=4 571 B9R0.5 C=CCCNC(=O)CCF c61f7e4d0d1a195bb4cb7a9b057b48af [0,2,0,0,0,0|2,0,0]=4 572 B9R0.5 C=CCCNC(=O)CCO 1bd10e2ccd10ee5b0c20ae371bff9e47 [0,2,0,0,0,0|1,1,0]=4 573 B9R0.5 C=CCCNC(=O)CCS 3115b2d72af2b2f4934d11a466e05c75 [0,2,0,0,0,0|1,0,0]=3 574 B9R0.5 C=CCCOC(=S)CCC 2692822e92b8218c0255dd67b3275aa5 [0,2,0,0,0,0|1,1,0]=4 575 B9R0.5 C=CCNCC(=O)NCC 03bc30f2db00e8ff81a9bdce6586612d [0,2,0,0,0,0|2,0,0]=4 576 B9R0.5 C=CCNCC(=O)OCC 9c75fab8aca43806fda755027554c371 [0,2,0,0,0,0|1,0,0]=3 577 B9R0.5 C=CCOCC(=O)NCC 0c8b900e0707d7423d698d9813e6f594 [0,2,0,0,0,0|2,0,0]=4 578 B9R0.5 C=CCOCC(=O)OCC 9a263b5396d3bde89fbebf34ff6fb949 [0,2,0,0,0,0|1,0,0]=3 579 B9R0.5 C=COC(=O)CNCCS a7811feac419e0739763434f7b7270f6 [0,2,0,0,0,0|0,0,2]=4 580 B9R0.5 C=COC(=O)COCCS 67cab09cb8f1036cca6d2ef62c8fe19c [0,2,0,0,0,0|0,0,2]=4 581 B9R0.5 CC#CC(=O)NCCSC d8202abac41ad881e3e466bef9502ebb [0,2,0,0,0,0|1,0,1]=4 582 B9R0.5 CC#CCNC(=O)CCC 48984c428da435490cd648d1556c7272 [0,2,0,0,0,0|2,0,0]=4 583 B9R0.5 CC#CCNC(=O)CCF 01de46bd0b3c1231441896e6dc348432 [0,2,0,0,0,0|2,0,0]=4 584 B9R0.5 CC#CCNC(=O)CCO 59c529f41bad4f28c8ecc477904bbd1b [0,2,0,0,0,0|1,1,0]=4 585 B9R0.5 CC#CCNC(=O)CCS 67ea4044f8bf463be3cd0eb40b79251a [0,2,0,0,0,0|1,0,0]=3 586 B9R0.5 CC=CCNC(=O)CCC a2189c9a5e101c26f476080a5e98ae2b [0,2,0,0,0,0|2,0,0]=4 587 B9R0.5 CC=CCNC(=O)CCF ac8eb6394d3ace863314ea67eaec2824 [0,2,0,0,0,0|2,0,0]=4 588 B9R0.5 CC=CCNC(=O)CCO 2e495d23d3680cc81a36c441c44b65ce [0,2,0,0,0,0|1,1,0]=4 589 B9R0.5 CC=CCNC(=O)CCS 3c57f3bba85f1cd791ddb358ae5bc069 [0,2,0,0,0,0|1,0,0]=3 590 B9R0.5 CCCC(=O)CNCC#N 4c48844f89f54e85c6e419aa1980f836 [0,2,0,0,0,0|2,0,0]=4 591 B9R0.5 CCCC(=O)CNCCBr 580d9097d971fedfdfa14df158dde72d [0,2,0,0,0,0|2,0,0]=4 592 B9R0.5 CCCC(=O)CNCCF 90b6a3d4e2b646692ac2f8be60f35cfc [0,2,0,0,0,0|2,0,0]=4 593 B9R0.5 CCCC(=O)CNCCI e6c431c6a36f932e7e7bd540be83f7d4 [0,2,0,0,0,0|2,0,0]=4 594 B9R0.5 CCCC(=O)CNCCO 19eaae24439cf65d8d2d752c6a63c8d7 [0,2,0,0,0,0|1,1,0]=4 595 B9R0.5 CCCC(=O)CNCCS 1dd21d52255aa998e3f67c462a833edf [0,2,0,0,0,0|1,0,0]=3 596 B9R0.5 CCCC(=O)COCC#N 35c92dcfc70a5aabec5ac519eee3f9a5 [0,2,0,0,0,0|1,0,1]=4 597 B9R0.5 CCCC(=O)COCCF 51c78131a5436c656772daa28f0121d0 [0,2,0,0,0,0|1,0,0]=3 598 B9R0.5 CCCC(=O)COCCS 77d185d452b3bc72588d0bc7dfa35de5 [0,2,0,0,0,0|1,0,0]=3 599 B9R0.5 CCCC(=O)COCOC 2e9034a32d4ad47f72112a5c4899eca9 [0,2,0,0,0,0|1,0,0]=3 600 B9R0.5 CCCC(=O)NCCC#N df36b052b03aa9feb90916eec413467f [0,2,0,0,0,0|2,0,0]=4 601 B9R0.5 CCCC(=O)NCCCCl f1d9e9d02a2632caa1296262930794c7 [0,2,0,0,0,0|2,0,0]=4 602 B9R0.5 CCCC(=O)NCCCO 592c3668cf1954e32eae53f9d9310fe4 [0,2,0,0,0,0|1,1,0]=4 603 B9R0.5 CCCC(=O)NCCOC d85beb1e2ae7c191540a491c38a5bdee [0,2,0,0,0,0|1,1,0]=4 604 B9R0.5 CCCC(=O)NCCON 2667b617ce33939f360a2d9f69c758c4 [0,2,0,0,0,0|1,1,0]=4 605 B9R0.5 CCCC(=O)NCCSC a7f90a8bca211f42c79fa85f13ca66c5 [0,2,0,0,0,0|1,0,0]=3 606 B9R0.5 CCCC(=O)OCNC#N a51c4831c20ad7913670407ec9a058f2 [0,2,0,0,0,0|1,0,1]=4 607 B9R0.5 CCCC(=S)OCCC#N 4d59f3d5d598722c51a17a6ae837b460 [0,2,0,0,0,0|1,1,0]=4 608 B9R0.5 CCCC(=S)OCCC=O 141f60b34558e8dbf5ffba7be4ff80f9 [0,2,0,0,0,0|1,1,0]=4 609 B9R0.5 CCCC(=S)OCCCF 656dc88ae36c655edad34b161382f41a [0,2,0,0,0,0|1,1,0]=4 610 B9R0.5 CCCC(=S)OCCCS 23b64448f461e9f987487e187aec0d4a [0,2,0,0,0,0|1,1,0]=4 611 B9R0.5 CCCC(=S)OCCOC d3db63e9a9ba0e487e0033504dd762c1 [0,2,0,0,0,0|1,1,0]=4 612 B9R0.5 CCCC(=S)OCCSC ea004ea4cab93907812e5d91a99ec056 [0,2,0,0,0,0|1,1,0]=4 613 B9R0.5 CCCC(=S)OCOCC adf12bc5807344f3b284867173cde60b [0,2,0,0,0,0|1,1,0]=4 614 B9R0.5 CCCCNC(=O)CCC 2cce597b848ae107def59bee54a0a0bb [0,2,0,0,0,0|2,0,0]=4 615 B9R0.5 CCCCNC(=O)CCF 53b9813d116057ff8c4b15658e94e51c [0,2,0,0,0,0|2,0,0]=4 616 B9R0.5 CCCCNC(=O)CCO 0298cd2468e4d9499261be651df2adcd [0,2,0,0,0,0|1,1,0]=4 617 B9R0.5 CCCCNC(=O)CCS 1641ac5db70e3fc675ef1771e3defee2 [0,2,0,0,0,0|1,0,0]=3 618 B9R0.5 CCCCOC(=S)CCC f1235a4363bf9e2174e43a15f0090624 [0,2,0,0,0,0|1,1,0]=4 619 B9R0.5 CCCNCC(=O)CCC 3eec0edc7aa18c3c159d3b72b32db52a [0,2,0,0,0,0|2,0,0]=4 620 B9R0.5 CCCNCC(=O)NCC ce07571aa3fa6f7b572f45c714e29f13 [0,2,0,0,0,0|2,0,0]=4 621 B9R0.5 CCCNCC(=O)OCC 96e18210e8c47913fa01fa11b9b136be [0,2,0,0,0,0|1,0,0]=3 622 B9R0.5 CCCOCC(=O)CCC 74c3c5e5bd02e359466cf1cc878b65e0 [0,2,0,0,0,0|1,0,0]=3 623 B9R0.5 CCCOCC(=O)COC 3d7dfb506e9c0757447f18e9df05797b [0,2,0,0,0,0|2,0,0]=4 624 B9R0.5 CCCOCC(=O)NCC 76f4c6de17f53497034323fd5e6ef599 [0,2,0,0,0,0|2,0,0]=4 625 B9R0.5 CCCOCC(=O)OCC 0b34840e3da522061b00dd308581ea5c [0,2,0,0,0,0|1,0,0]=3 626 B9R0.5 CCNC(=O)CCNC#N 23427c1ff2ac3b8d2eea4573337e45e6 [0,2,0,0,0,0|2,0,0]=4 627 B9R0.5 CCNC(=O)CNCC#N 9d0e7ccacb20c694e4008879375a4621 [0,2,0,0,0,0|2,0,0]=4 628 B9R0.5 CCNC(=O)CNCC=O a4d1d48531baf213da9daa6529b2972c [0,2,0,0,0,0|1,1,0]=4 629 B9R0.5 CCNC(=O)CNCCBr eba0f553ee6b07591a41e44f3a5aa8e2 [0,2,0,0,0,0|2,0,0]=4 630 B9R0.5 CCNC(=O)CNCCF 0f5dd9d468b31da44c24ebb652eb530c [0,2,0,0,0,0|2,0,0]=4 631 B9R0.5 CCNC(=O)CNCCI 90892e8fd08d23d8cb8012740b700d11 [0,2,0,0,0,0|2,0,0]=4 632 B9R0.5 CCNC(=O)CNCCO 442a95bc56d02077e9b0f659a35d10bf [0,2,0,0,0,0|1,1,0]=4 633 B9R0.5 CCNC(=O)CNCCS 336193fa38be46171431893753910df2 [0,2,0,0,0,0|1,0,0]=3 634 B9R0.5 CCNC(=O)CNCOC 418fc9ea4e66286d14d012781355c640 [0,2,0,0,0,0|1,1,0]=4 635 B9R0.5 CCNC(=O)CNCSC 581cd0eb74e9a8a8bdc513b22d20213a [0,2,0,0,0,0|1,0,0]=3 636 B9R0.5 CCNC(=O)COCC#N 5571efefd21a293755a133565a38019c [0,2,0,0,0,0|2,0,0]=4 637 B9R0.5 CCNC(=O)COCC=O 8635cab7d50a45c98d81f169c5cc1c4c [0,2,0,0,0,0|1,1,0]=4 638 B9R0.5 CCNC(=O)COCCF 812c23840362a8ca0725db39d692bb07 [0,2,0,0,0,0|2,0,0]=4 639 B9R0.5 CCNC(=O)COCCS 72830f9544a815a06bd3444d77122c12 [0,2,0,0,0,0|1,0,0]=3 640 B9R0.5 CCNC(=O)COCOC f4b52e7b701729895cf1ba81b82493e5 [0,2,0,0,0,0|1,1,0]=4 641 B9R0.5 CCNC(=O)COCSC 36a6937f66bbc3380df8d44f8b9020d8 [0,2,0,0,0,0|1,0,0]=3 642 B9R0.5 CCNCCC(=O)OCC 2335a4402c7edabd02b888af3e7ee79f [0,2,0,0,0,0|1,0,0]=3 643 B9R0.5 CCOC(=O)CCNC#N 2970a7082d564ca9a0ac60d8e6dde822 [0,2,0,0,0,0|1,0,0]=3 644 B9R0.5 CCOC(=O)CCNC=O f014a3a016d6b2ab3edecfa8ad9e1400 [0,2,0,0,0,0|0,1,0]=3 645 B9R0.5 CCOC(=O)CCNCF dc0e8e938f3e0f9376067101916fab11 [0,2,0,0,0,0|1,0,0]=3 646 B9R0.5 CCOC(=O)CCNCO 0d43318aba0286304d28e6f5f875b75e [0,2,0,0,0,0|0,1,0]=3 647 B9R0.5 CCOC(=O)CCOCF b923097280e6d745523067d0f7821723 [0,2,0,0,0,0|0,1,0]=3 648 B9R0.5 CCOC(=O)CNCC#N 57c0a5d0ba92ba22cb60b1db3fae37f4 [0,2,0,0,0,0|1,0,0]=3 649 B9R0.5 CCOC(=O)CNCC=O 13639f7e3d69faa2001497754bfed8b5 [0,2,0,0,0,0|0,1,0]=3 650 B9R0.5 CCOC(=O)CNCCBr 2d8ed3ea34766b7d343241f665b80229 [0,2,0,0,0,0|1,0,0]=3 651 B9R0.5 CCOC(=O)CNCCF 99d39e110ac23618c63f1317b2282cce [0,2,0,0,0,0|1,0,0]=3 652 B9R0.5 CCOC(=O)CNCCI 75072515d706cd5c15a349fb418110fa [0,2,0,0,0,0|1,0,0]=3 653 B9R0.5 CCOC(=O)CNCCO a3891831c63b1d5fc3c5a1b6e875e04a [0,2,0,0,0,0|0,1,0]=3 654 B9R0.5 CCOC(=O)CNCCS 2d2d40dfd5cc8614b9490097a11bc9af [0,2,0,0,0,0|0,0,0]=2 655 B9R0.5 CCOC(=O)CNCOC 3338587ded14e7c228302d0aec1db622 [0,2,0,0,0,0|0,1,0]=3 656 B9R0.5 CCOC(=O)CNCSC 83cee1aea68795d140c24e1cd1c34d73 [0,2,0,0,0,0|0,0,0]=2 657 B9R0.5 CCOC(=O)COCC#N c09a17fd9d8768b76ffa5a569bc14f50 [0,2,0,0,0,0|1,0,0]=3 658 B9R0.5 CCOC(=O)COCC=O 934135784a2711e60bdbd22faf98fe13 [0,2,0,0,0,0|0,1,0]=3 659 B9R0.5 CCOC(=O)COCCF 8ab9a071055414651ab59279d1d89a94 [0,2,0,0,0,0|1,0,0]=3 660 B9R0.5 CCOC(=O)COCCS 5b2c52a4049396ac0e633dc62c60b2f2 [0,2,0,0,0,0|0,0,0]=2 661 B9R0.5 CCOC(=O)COCOC cae80a72de3b9dd4c77bad68b601ad39 [0,2,0,0,0,0|0,1,0]=3 662 B9R0.5 CCOC(=O)COCSC d1c9bb1a8c14847f19476af8bd4e260f [0,2,0,0,0,0|0,0,0]=2 663 B9R0.5 CCOC(=O)OCNC#N b5d266e5bd1ab36ce8e9d1511a582ded [0,2,0,0,0,0|1,0,1]=4 664 B9R0.5 CCOC(C)CNCCS a604d759e01f5df57652ba792102d3aa [0,2,0,0,0,0|1,0,1]=4 665 B9R0.5 CCOC(C)CNCSC 78b9dee1b7512ba716dc08fb20c51df4 [0,2,0,0,0,0|1,0,1]=4 666 B9R0.5 CCOC(C)COCCS c7c2bcc8f3e03e9f47223219f81c8b1f [0,2,0,0,0,0|1,0,1]=4 667 B9R0.5 CCOC(C)COCSC 5bca448d87a75d6304bc9a4f11e6dc4e [0,2,0,0,0,0|1,0,1]=4 668 B9R0.5 CCOCCC(=O)OCC 09e1caf8e51242de5bdcbf4174bb2e9c [0,2,0,0,0,0|0,1,0]=3 669 B9R0.5 CCOCCN(C)CCS 60204c906fc56e69df8ae486d745cd79 [0,2,0,0,0,0|2,0,0]=4 670 B9R0.5 COCC(=O)CNCCS 998c86e7067a208995617aaf569ee24d [0,2,0,0,0,0|2,0,0]=4 671 B9R0.5 COCC(=O)COCCS 4c50ce8dad8eb47119f9c3bca158fc1a [0,2,0,0,0,0|2,0,0]=4 672 B9R0.5 COCC(=O)NCCSC ae9802b73da9588e64754d62c956dbe2 [0,2,0,0,0,0|2,0,0]=4 673 B9R0.5 COCCNC(=O)CCF 703c6442db6e4c16b32cf0385fe1f071 [0,2,0,0,0,0|2,0,0]=4 674 B9R0.5 COCCNC(=O)CCO da506b7eb06569e31b2bdbe6c4e1e62a [0,2,0,0,0,0|1,1,0]=4 675 B9R0.5 COCCNC(=O)CCS b8ee435c0e502f7ec824944f584c26af [0,2,0,0,0,0|1,0,0]=3 676 B9R0.5 COCOCC(=O)COC 7449521e3687d4ca34f0ee79710cdd82 [0,2,0,0,0,0|2,0,0]=4 677 B9R0.5 CSCCNC(=O)CCF 976855bf6bbc92279851c6db72b3fe06 [0,2,0,0,0,0|2,0,0]=4 678 B9R0.5 CSCCNC(=O)CCO 43f57de6b29a2d1d41363767bdf0c9f1 [0,2,0,0,0,0|1,1,0]=4 679 B9R0.5 CSCCNC(=O)CCS cc2a240397388430a40e2a34c43c5050 [0,2,0,0,0,0|1,0,0]=3 680 B9R0.5 CSCCNC(=O)CSC 2dbace4ea8ec9c7a8b0a6a20b93d81ea [0,2,0,0,0,0|2,0,0]=4 681 B9R0.5 N#CCCNC(=O)CCF 1ec436aa9aa2c78e2f7b815a314c5141 [0,2,0,0,0,0|2,0,0]=4 682 B9R0.5 N#CCCNC(=O)CCO d70c31f27d036bc360d9ff758dd72eaa [0,2,0,0,0,0|1,1,0]=4 683 B9R0.5 N#CCCNC(=O)CCS 7a8309f215c598999d326ea2069d4e17 [0,2,0,0,0,0|1,0,0]=3 684 B9R0.5 NOCCNC(=O)CCF d7a5242bda2a0e4d36ad932ff038c17d [0,2,0,0,0,0|2,0,0]=4 685 B9R0.5 NOCCNC(=O)CCO 9e448e758c2c183b34eba0590451fd2b [0,2,0,0,0,0|1,1,0]=4 686 B9R0.5 NOCCNC(=O)CCS df0b2ade8e8fd8d0c292a705d0bad247 [0,2,0,0,0,0|1,0,0]=3 687 B9R0.5 O=C(CCF)NCCCCl 450f9e397437565bfe33b39b053c4245 [0,2,0,0,0,0|2,0,0]=4 688 B9R0.5 O=C(CCF)NCCCO 3c99316c0047228a6d04ddef64744a30 [0,2,0,0,0,0|2,0,0]=4 689 B9R0.5 O=C(CCO)NCCCCl abeaa24b07e6d3bdfe3ff6d05860a8be [0,2,0,0,0,0|1,1,0]=4 690 B9R0.5 O=C(CCO)NCCCO 2d4903d2493c9af6a68704182db4d55c [0,2,0,0,0,0|1,1,0]=4 691 B9R0.5 O=C(CCS)NCCCCl 5d4cbf1d3f8d26cc0fcfe1598b77ca0e [0,2,0,0,0,0|1,0,0]=3 692 B9R0.5 O=C(CCS)NCCCO d39ac9fd8653d19eae81484da48b1f73 [0,2,0,0,0,0|1,0,0]=3 693 B9R0.5 O=C(CNCCS)NCO ef03bbcb74c5d1041da25250cdf53fa0 [0,2,0,0,0,0|2,0,0]=4 694 B9R0.8 C#CCCC(=O)N(C)CC f62ed8a2814c214b3daa502a9d9017f9 [0,2,0,0,0,0|2,0,0]=4 695 B9R0.8 C/C=C(/C)\C(=O)NCCS 16ed5275164848605db7c8b01747415a [0,2,0,0,0,0|1,0,1]=4 696 B9R0.8 C/C=C(\Br)/C(=O)NCCS 9d596d84a008a0322dda18de74058c46 [0,2,0,0,0,0|1,0,1]=4 697 B9R0.8 C/C=C(\C)/C(=O)NCCS 9b0e1d81028a21b0faefd54cf47f28a8 [0,2,0,0,0,0|1,0,1]=4 698 B9R0.8 C/C=C(\Cl)/C(=O)NCCS 927d3faa820fde1d593f69389c2a7261 [0,2,0,0,0,0|1,0,1]=4 699 B9R0.8 C/C=C(\O)/C(=O)NCCS ee66338020c43593801f209322a9347d [0,2,0,0,0,0|1,0,1]=4 700 B9R0.8 C=C(CC)C(=O)NCCBr f32967722aa2c8624bf6abe1938b030d [0,2,0,0,0,0|2,0,0]=4 701 B9R0.8 C=C(CC)C(=O)NCCC 198297579d2c46e6f527f9db79959810 [0,2,0,0,0,0|2,0,0]=4 702 B9R0.8 C=C(CC)C(=O)NCCF 7d0a8defb76d3ce471b9549aa071dc94 [0,2,0,0,0,0|2,0,0]=4 703 B9R0.8 C=C(CC)C(=O)NCCI ce4a346bb104410d15875747df2935cc [0,2,0,0,0,0|2,0,0]=4 704 B9R0.8 C=C(CC)C(=O)NCCO 928b82dc2c09249dc53ce85c56cac0e4 [0,2,0,0,0,0|1,1,0]=4 705 B9R0.8 C=C(CC)C(=O)NCCS aa5b7fd43f45b1e227eeee918050ad3e [0,2,0,0,0,0|1,0,0]=3 706 B9R0.8 C=C(CO)C(=O)NCCS 4a2b4d643c2a226dfd1353eca4018db4 [0,2,0,0,0,0|2,0,0]=4 707 B9R0.8 C=CCCC(=O)N(C)CC 6011e28a4a812ce13f85b2f64f7a7d64 [0,2,0,0,0,0|2,0,0]=4 708 B9R0.8 CC=C(C)C(=O)NCCS 983f9f4a51ba718858e47301d24374af [0,2,0,0,0,0|1,0,1]=4 709 B9R0.8 CCC(=O)C(=O)NCCBr 84fc4faee770c4e2b17d9a450509f7c4 [0,2,0,0,0,0|2,0,0]=4 710 B9R0.8 CCC(=O)C(=O)NCCF 45f7aaa2290833f2ebffca2080080c8b [0,2,0,0,0,0|2,0,0]=4 711 B9R0.8 CCC(=O)C(=O)NCCI c47ec07c95fd9869aa39fe7c7de0290c [0,2,0,0,0,0|2,0,0]=4 712 B9R0.8 CCC(=O)C(=O)NCCO a7e0c4499eee6af2b5e9b45765eda93b [0,2,0,0,0,0|1,1,0]=4 713 B9R0.8 CCC(=O)C(=O)NCCS d8d72c0868c2b4d59d8957abf2f00ed5 [0,2,0,0,0,0|1,0,0]=3 714 B9R0.8 CCC(O)C(=O)NCCBr 2ade1c833c430c1a211b1a3611a33f69 [0,2,0,0,0,0|2,0,0]=4 715 B9R0.8 CCC(O)C(=O)NCCF 1f624e25ced331a0ee5911c21f93c213 [0,2,0,0,0,0|2,0,0]=4 716 B9R0.8 CCC(O)C(=O)NCCI 554a25dff9dadce41249b0c094c2f8db [0,2,0,0,0,0|2,0,0]=4 717 B9R0.8 CCC(O)C(=O)NCCO 745a9d17724d87b794549d966c0a7f8e [0,2,0,0,0,0|1,1,0]=4 718 B9R0.8 CCC(O)C(=O)NCCS bbec3d565e71af61e29ab85ac287ecc8 [0,2,0,0,0,0|1,0,0]=3 719 B9R0.8 CCCCC(=O)N(C)CC 3b76ee884ca3badac26f8203708e917a [0,2,0,0,0,0|2,0,0]=4 720 B9R0.8 CCCNC(=O)C(=O)CC 50c3528e2a3a36795036ff6fd39f19ea [0,2,0,0,0,0|2,0,0]=4 721 B9R0.8 CCCNC(=O)C(=O)CS f77a300a00a8626828cedcc47e555849 [0,2,0,0,0,0|1,0,1]=4 722 B9R0.8 CCCNC(=O)C(O)CC edd04219b33ab5e22cf9bff2adb8263b [0,2,0,0,0,0|2,0,0]=4 723 B9R0.8 CCCNC(=O)C(O)CO d7c655595f96eab9d65b9b07299f3143 [0,2,0,0,0,0|1,1,0]=4 724 B9R0.8 CCCNC(=O)N(C)CC 8cc4e3845201ed6a5f54aeb0c58369f2 [0,2,0,0,0,0|2,0,0]=4 725 B9R0.8 CCCNC(=O)[C@@H](O)CC 6213de286f3cc084357619621a240c57 [0,2,0,0,0,0|2,0,0]=4 726 B9R0.8 CCCNC(=O)[C@@H](O)CO cddf6fa28ced77253bf372319fed5d9e [0,2,0,0,0,0|1,1,0]=4 727 B9R0.8 CCCNC(=O)[C@@H](S)CC 307adf8ab625a0844c694fbfab2ae1cc [0,2,0,0,0,0|2,0,0]=4 728 B9R0.8 CCCNC(=O)[C@H](O)CC af51f60b56be4879c2275bcf120b5462 [0,2,0,0,0,0|2,0,0]=4 729 B9R0.8 CCCNC(=O)[C@H](O)CF c398a2eaadc782e2e0bcfee633a2e30d [0,2,0,0,0,0|2,0,0]=4 730 B9R0.8 CCN(C)C(=O)CCC#N 88fb432154c6a917e2d8e40b5c6cbba3 [0,2,0,0,0,0|2,0,0]=4 731 B9R0.8 CCN(C)C(=O)CCC=O 9a5a1e8c15cee0396b7a79a3aa71a7d9 [0,2,0,0,0,0|1,1,0]=4 732 B9R0.8 CCN(C)C(=O)CCCF 71a0c344902e76af27c94c81ecfb5689 [0,2,0,0,0,0|2,0,0]=4 733 B9R0.8 CCN(C)C(=O)CCCS ebcb8168812b12d3e6201ff6520bbfde [0,2,0,0,0,0|1,0,0]=3 734 B9R0.8 CCN(C)C(=O)CCOC 12efcb8903fa8774b65e426d72faaa46 [0,2,0,0,0,0|1,1,0]=4 735 B9R0.8 CCN(C)C(=O)CCSC fb6bfe34974fe6f4d63bc1e3eca693e5 [0,2,0,0,0,0|1,0,0]=3 736 B9R0.8 CCN(C)C(=O)CNCF a3069accf187eb547bd85a5169964063 [0,2,0,0,0,0|2,0,0]=4 737 B9R0.8 CCN(C)C(=O)CNCO 2dfbded055e7e7867ff651acf9c03b29 [0,2,0,0,0,0|1,1,0]=4 738 B9R0.8 CCN(C)C(=O)CSSC 307bc8251e5134ef58a6ce58ce16fae2 [0,2,0,0,0,0|2,0,0]=4 739 B9R0.8 CCN(C)C(=O)NCCF f7b61206327da812ed1a19e27d6d5677 [0,2,0,0,0,0|2,0,0]=4 740 B9R0.8 CCN(C)C(=O)NCCN d34fc354b26c8709a19507a884f5c467 [0,2,0,0,0,0|2,0,0]=4 741 B9R0.8 CCN(C)C(=O)NCCO b1aaf6191cfb2b7328dbc0e0cde9acef [0,2,0,0,0,0|1,1,0]=4 742 B9R0.8 CCN(C)C(=O)NCCS d7763462761072e64b321452c5fbfeba [0,2,0,0,0,0|1,0,0]=3 743 B9R0.8 CCN(C)C(=S)NCCS c0d06e10af1aac76c6a095828c99a80f [0,2,0,0,0,0|1,1,0]=4 744 B9R0.8 CCNCC(=O)N(C)CC 5cf52a07cf1f87dade5004287639de93 [0,2,0,0,0,0|2,0,0]=4 745 B9R0.8 CCOCC(=O)N(C)CC 3add8cdab6a5ad857d619a20fc9f3f22 [0,2,0,0,0,0|2,0,0]=4 746 B9R0.8 CCSCC(=O)N(C)CC 0877064f4b888cfcb3222fa75ee19001 [0,2,0,0,0,0|2,0,0]=4 747 B9R0.8 CC[C@@H](O)C(=O)NCCBr b4e3aa63e6f4cf0e487b426b564f6db7 [0,2,0,0,0,0|2,0,0]=4 748 B9R0.8 CC[C@@H](O)C(=O)NCCF 4a9265769a05e1eb15a2b137cb1c7303 [0,2,0,0,0,0|2,0,0]=4 749 B9R0.8 CC[C@@H](O)C(=O)NCCI 8165ce5a00352cf773b65846496b468f [0,2,0,0,0,0|2,0,0]=4 750 B9R0.8 CC[C@@H](O)C(=O)NCCO dae4c65b6f291f588a814c097e9a1d63 [0,2,0,0,0,0|1,1,0]=4 751 B9R0.8 CC[C@@H](O)C(=O)NCCS 517d3d5d9f343789c678b0ec63cc954a [0,2,0,0,0,0|1,0,0]=3 752 B9R0.8 CC[C@H](O)C(=O)NCCBr e1da6eb0e539aabf5fc41b91d371b57b [0,2,0,0,0,0|2,0,0]=4 753 B9R0.8 CC[C@H](O)C(=O)NCCF af0c479fd3780ea161cd466e1cbe5c22 [0,2,0,0,0,0|2,0,0]=4 754 B9R0.8 CC[C@H](O)C(=O)NCCI b0d58289b4178ffd545fec3555e56278 [0,2,0,0,0,0|2,0,0]=4 755 B9R0.8 CC[C@H](O)C(=O)NCCO 686aa24f9002e236f6b398d59657d88e [0,2,0,0,0,0|1,1,0]=4 756 B9R0.8 CC[C@H](O)C(=O)NCCS 3a701f6b1b219d79627bfd934b5bd5eb [0,2,0,0,0,0|1,0,0]=3 757 B9R0.8 CC[C@H](S)C(=O)NCCBr 335c0916c1090d60220adbc9d51172b1 [0,2,0,0,0,0|2,0,0]=4 758 B9R0.8 CC[C@H](S)C(=O)NCCF 3cf56c01f942eaa9691d225e90536e7d [0,2,0,0,0,0|2,0,0]=4 759 B9R0.8 CC[C@H](S)C(=O)NCCI 33591aa7c081ab11daeaac3f4291fbd3 [0,2,0,0,0,0|2,0,0]=4 760 B9R0.8 CC[C@H](S)C(=O)NCCO ef37894623a18aeddfeb9fa640ef45ba [0,2,0,0,0,0|1,1,0]=4 761 B9R0.8 CC[C@H](S)C(=O)NCCS 73f1fdfa03158d1e41ca41ed46c794d6 [0,2,0,0,0,0|1,0,0]=3 762 B9R0.8 CNC(=O)C(=O)NCCS e026e8ab3abe5a671931ba14a8395c38 [0,2,0,0,0,0|2,0,0]=4 763 B9R0.8 COC(=O)C(=O)NCCS df5b83bbed2d7e5f3575f51f891b322f [0,2,0,0,0,0|2,0,0]=4 764 B9R0.8 COC(C)C(=O)NCCS d6f87202f49bb36bc929be090f10f0ea [0,2,0,0,0,0|2,0,0]=4 765 B9R0.8 CO[C@@H](C)C(=O)NCCS 1cbeaa86510849c657b66794a7fb3ee6 [0,2,0,0,0,0|2,0,0]=4 766 B9R0.8 CO[C@H](C)C(=O)NCCS ddcd3912fc0e64986fc72434055291da [0,2,0,0,0,0|2,0,0]=4 767 B9R0.8 CSC(C)C(=O)NCCS 49ec9b36ccb59bf2547f64f2ea8fd374 [0,2,0,0,0,0|2,0,0]=4 768 B9R0.8 O=C(CS)C(=O)NCCBr 340a3bb1044c34f19149637f0ce02852 [0,2,0,0,0,0|1,0,1]=4 769 B9R0.8 O=C(CS)C(=O)NCCF 6e22085c087cc201e19be165fc8d323c [0,2,0,0,0,0|1,0,1]=4 770 B9R0.8 O=C(CS)C(=O)NCCI 91853e693f5f480eaba79de8acd88642 [0,2,0,0,0,0|1,0,1]=4 771 B9R0.8 O=C(CS)C(=O)NCCO dcc1c6d5c654a6b221cd9d032edbaf11 [0,2,0,0,0,0|1,0,1]=4 772 B9R0.8 O=C(CS)C(=O)NCCS ebd815b9d550d75dda5475bb6e23572e [0,2,0,0,0,0|1,0,1]=4 773 B9R0.8 O=C(NCCBr)C(O)CO 50732b6f5d6c22802a0fb9aa49851584 [0,2,0,0,0,0|1,1,0]=4 774 B9R0.8 O=C(NCCBr)[C@@H](O)CO 1a3e86b7351c372b4b6d9acddaad0ad8 [0,2,0,0,0,0|1,1,0]=4 775 B9R0.8 O=C(NCCBr)[C@H](O)CF 6897d627283b08191ccb6b3025225c76 [0,2,0,0,0,0|2,0,0]=4 776 B9R0.8 O=C(NCCF)C(O)CO a41670d26a095dbb87dabe1daf19d15c [0,2,0,0,0,0|1,1,0]=4 777 B9R0.8 O=C(NCCF)[C@@H](O)CO 6359370fd13bc6933f65b7d95280cb26 [0,2,0,0,0,0|1,1,0]=4 778 B9R0.8 O=C(NCCF)[C@H](O)CF 67669445db6698fae30ece56e7289fab [0,2,0,0,0,0|2,0,0]=4 779 B9R0.8 O=C(NCCI)C(O)CO 550aeaacc9772a321ca6d91ab43583a0 [0,2,0,0,0,0|1,1,0]=4 780 B9R0.8 O=C(NCCI)[C@@H](O)CO fd2f96f27805ed770ed342caf7144613 [0,2,0,0,0,0|1,1,0]=4 781 B9R0.8 O=C(NCCI)[C@H](O)CF 2f0832e6ad14d04d611e1786b91d8b32 [0,2,0,0,0,0|2,0,0]=4 782 B9R0.8 O=C(NCCO)C(O)CO d96a63d08d0d0603e5f41935a3b7977d [0,2,0,0,0,0|1,1,0]=4 783 B9R0.8 O=C(NCCO)[C@@H](O)CO a23744cc7f9225763404caeb944d8664 [0,2,0,0,0,0|1,1,0]=4 784 B9R0.8 O=C(NCCO)[C@H](O)CF 5e516f653738eebab65653f76e507c02 [0,2,0,0,0,0|2,0,0]=4 785 B9R0.8 O=C(NCCS)C(O)CO b572495f13c3e8ce68b1069b0ce3da42 [0,2,0,0,0,0|1,1,0]=4 786 B9R0.8 O=C(NCCS)[C@@H](O)CO 74902f6f01a936c5e48ddb7b8b6a4e1d [0,2,0,0,0,0|1,1,0]=4 787 B9R0.8 O=C(NCCS)[C@H](O)CF 381cfe440e76d0fa29d139c06988cfba [0,2,0,0,0,0|2,0,0]=4 788 B9R0.18 C#CCCC(=O)NCCBr 729b91b02d2abf1cee3c719854421562 [0,2,0,0,0,0|2,0,0]=4 789 B9R0.18 C#CCCC(=O)NCCC f3c64f5165b1f279b3da708a35c3c2e4 [0,2,0,0,0,0|2,0,0]=4 790 B9R0.18 C#CCCC(=O)NCCF 9046eb10d26f3c452d75683712c35b1d [0,2,0,0,0,0|2,0,0]=4 791 B9R0.18 C#CCCC(=O)NCCI d05a67103d2be7ce45976e8177fde076 [0,2,0,0,0,0|2,0,0]=4 792 B9R0.18 C#CCCC(=O)NCCO b5626950898057c32ab07754a7f54d2c [0,2,0,0,0,0|2,0,0]=4 793 B9R0.18 C#CCCC(=O)NCCS e36dec1dfae8fbe2b8830532e4babe3d [0,2,0,0,0,0|1,0,1]=4 794 B9R0.18 C#CCNC(=O)CCCS 00f12bf631c659bbc2b6c919fdbad159 [0,2,0,0,0,0|1,0,1]=4 795 B9R0.18 C#CCNC(=O)CCSC 7086aa684322ccec2c3e4260dd7fcb4d [0,2,0,0,0,0|1,0,1]=4 796 B9R0.18 C#CCNC(=O)COCC 6728d3621c636d52cc87aceadfb51abb [0,2,0,0,0,0|1,0,1]=4 797 B9R0.18 C#CCNC(=O)NCCS b055b79b22925c7f4bac5d968a6e6d0b [0,2,0,0,0,0|1,0,1]=4 798 B9R0.18 C/C=C/CC(=O)NCCS 31d78705f2b313fd3d980ff54d5df8aa [0,2,0,0,0,0|1,0,1]=4 799 B9R0.18 C=CCCC(=O)NCCBr 948476de21a141b338247c6fb6f458c1 [0,2,0,0,0,0|2,0,0]=4 800 B9R0.18 C=CCCC(=O)NCCC 9f74062b96148fe9af5f57a314993165 [0,2,0,0,0,0|2,0,0]=4 801 B9R0.18 C=CCCC(=O)NCCF 8e6945fd04c94a963494f9001dc54a01 [0,2,0,0,0,0|2,0,0]=4 802 B9R0.18 C=CCCC(=O)NCCI 00142dd0a1af488b8e785151524aee90 [0,2,0,0,0,0|2,0,0]=4 803 B9R0.18 C=CCCC(=O)NCCO 92b7140eb74ac7722a0fecd9c1fd61c9 [0,2,0,0,0,0|2,0,0]=4 804 B9R0.18 C=CCCC(=O)NCCS 5ddaf5e433e0105e773c698e7b16b162 [0,2,0,0,0,0|1,0,1]=4 805 B9R0.18 C=CCNC(=O)COCC a11a89555864e96d8e78b57eec3b4d7c [0,2,0,0,0,0|1,0,1]=4 806 B9R0.18 CC#CCC(=O)NCCS 6451ba461d50e9368b5989ec0bb110a3 [0,2,0,0,0,0|1,0,1]=4 807 B9R0.18 CC/C=C/C(=O)NCCBr ee8d58d5055e43b68d59927d2e33cfa2 [0,2,0,0,0,0|2,0,0]=4 808 B9R0.18 CC/C=C/C(=O)NCCC 097750926e3d99168c7ae958e0b63aa1 [0,2,0,0,0,0|2,0,0]=4 809 B9R0.18 CC/C=C/C(=O)NCCF f17fc52ad6555fcc99c7681f7bafb025 [0,2,0,0,0,0|2,0,0]=4 810 B9R0.18 CC/C=C/C(=O)NCCI a0ca9a4040ad11de0727cd346ff6e365 [0,2,0,0,0,0|2,0,0]=4 811 B9R0.18 CC/C=C/C(=O)NCCO 08706e37528a32b5e8fd5fafc311f358 [0,2,0,0,0,0|1,1,0]=4 812 B9R0.18 CC/C=C/C(=O)NCCS ca25c418eb639f8f275092502017b8a4 [0,2,0,0,0,0|1,0,0]=3 813 B9R0.18 CC/C=C\C(=O)NCCBr 31b076141fd5eae592f6a6f835cad014 [0,2,0,0,0,0|2,0,0]=4 814 B9R0.18 CC/C=C\C(=O)NCCC 2e01bf87a7f45ff1d01b0bf52ce2e79c [0,2,0,0,0,0|2,0,0]=4 815 B9R0.18 CC/C=C\C(=O)NCCF 76a019df86ac7c1e6258651339cb29f7 [0,2,0,0,0,0|2,0,0]=4 816 B9R0.18 CC/C=C\C(=O)NCCI 1443de2a84643e25d41c3a73eaf99811 [0,2,0,0,0,0|2,0,0]=4 817 B9R0.18 CC/C=C\C(=O)NCCO 36732c392e163e67de85f10bd492904e [0,2,0,0,0,0|1,1,0]=4 818 B9R0.18 CC/C=C\C(=O)NCCS cb421ffc85a07bd9cc0036a98b12c2e4 [0,2,0,0,0,0|1,0,0]=3 819 B9R0.18 CCC#CC(=O)NCCBr 6f52e0ee1130c7191d8647703f4b7ea9 [0,2,0,0,0,0|2,0,0]=4 820 B9R0.18 CCC#CC(=O)NCCC 05296c469ef7c084017f21a8abf9ef42 [0,2,0,0,0,0|2,0,0]=4 821 B9R0.18 CCC#CC(=O)NCCF a8799f5dfee15687a4bdb9a2f983572d [0,2,0,0,0,0|2,0,0]=4 822 B9R0.18 CCC#CC(=O)NCCI 14df01f6fd175ddd1913d0aa78004c82 [0,2,0,0,0,0|2,0,0]=4 823 B9R0.18 CCC#CC(=O)NCCO 555149a903a0bc41cc30d5b3e41067c6 [0,2,0,0,0,0|1,1,0]=4 824 B9R0.18 CCC#CC(=O)NCCS 6056598ddd4bade38e3ee0ef01405cb3 [0,2,0,0,0,0|1,0,0]=3 825 B9R0.18 CCC=CC(=O)NCCBr 3bdad91a0456ac6b0987cbbfe21004cb [0,2,0,0,0,0|2,0,0]=4 826 B9R0.18 CCC=CC(=O)NCCC a3276d4bfec7425f957ca6583de8d8a3 [0,2,0,0,0,0|2,0,0]=4 827 B9R0.18 CCC=CC(=O)NCCF 1f5aea88f3f965afbab72851442d5a70 [0,2,0,0,0,0|2,0,0]=4 828 B9R0.18 CCC=CC(=O)NCCI 34d7c106d48a6ee0fa44f1ae10e8a912 [0,2,0,0,0,0|2,0,0]=4 829 B9R0.18 CCC=CC(=O)NCCO 9fc7a140eccb6be107eccc3b03c28609 [0,2,0,0,0,0|1,1,0]=4 830 B9R0.18 CCC=CC(=O)NCCS b28b0bba7928b07cf0c23858191c60ac [0,2,0,0,0,0|1,0,0]=3 831 B9R0.18 CCCCC(=O)NCCBr 8af219e0e77c4fc0ca9d539df0908bd7 [0,2,0,0,0,0|2,0,0]=4 832 B9R0.18 CCCCC(=O)NCCC b85686110cd08860fec3169645c4d3bc [0,2,0,0,0,0|2,0,0]=4 833 B9R0.18 CCCCC(=O)NCCF b275f982f0ad827f00e9f57eb71a2f59 [0,2,0,0,0,0|2,0,0]=4 834 B9R0.18 CCCCC(=O)NCCI 9863fe9ac927a6229bfaad02f965a727 [0,2,0,0,0,0|2,0,0]=4 835 B9R0.18 CCCCC(=O)NCCO 7ece651dd2827f5e83d2c51f7847968d [0,2,0,0,0,0|1,1,0]=4 836 B9R0.18 CCCCC(=O)NCCS 7815db24b5b4c021be3fed7542d4cbf1 [0,2,0,0,0,0|1,0,0]=3 837 B9R0.18 CCCNC(=O)CCC#N 3c84da86740a9537b1394a17edc981f5 [0,2,0,0,0,0|2,0,0]=4 838 B9R0.18 CCCNC(=O)CCC=O 5522fa26a355fc8eec3036c5a7687322 [0,2,0,0,0,0|1,1,0]=4 839 B9R0.18 CCCNC(=O)CCCF 1f823bbe5c8060566b13c81465e061c7 [0,2,0,0,0,0|2,0,0]=4 840 B9R0.18 CCCNC(=O)CCCS 2bfa96a35c081404d84a7b0215640a85 [0,2,0,0,0,0|1,0,0]=3 841 B9R0.18 CCCNC(=O)CCOC 6cd117ddc5922928321b15c7b6e23d01 [0,2,0,0,0,0|1,1,0]=4 842 B9R0.18 CCCNC(=O)CCSC 37189979a283ab62744d36502a721481 [0,2,0,0,0,0|1,0,0]=3 843 B9R0.18 CCCNC(=O)CNCC fcfe70edc98518cf0e869dd652d9d1b9 [0,2,0,0,0,0|2,0,0]=4 844 B9R0.18 CCCNC(=O)CNCF 3c826b0ceeef47dc0f5a92ae2f804d94 [0,2,0,0,0,0|2,0,0]=4 845 B9R0.18 CCCNC(=O)CNCO 675781d24e7cbc9b6ef31ada5f732a91 [0,2,0,0,0,0|1,1,0]=4 846 B9R0.18 CCCNC(=O)COCC 8f39e652af99ce623f6f9a406b6adee9 [0,2,0,0,0,0|1,0,0]=3 847 B9R0.18 CCCNC(=O)CSCC d0b8c7d2c46af0543f3335fa1ed7e543 [0,2,0,0,0,0|1,1,0]=4 848 B9R0.18 CCCNC(=O)CSSC 8af2df8b10dc9638c50f82a7925427c1 [0,2,0,0,0,0|2,0,0]=4 849 B9R0.18 CCCNC(=O)NCCC d4084f6e2865e431e7a6757193be77c9 [0,2,0,0,0,0|2,0,0]=4 850 B9R0.18 CCCNC(=O)NCCF 1e1fa57d0f12245420d7bb7dd77d774b [0,2,0,0,0,0|2,0,0]=4 851 B9R0.18 CCCNC(=O)NCCN 579d0d35eef03875b16c127daf572c7f [0,2,0,0,0,0|2,0,0]=4 852 B9R0.18 CCCNC(=O)NCCO 09e60de9b5b425950f0cc31f8f757e7a [0,2,0,0,0,0|1,1,0]=4 853 B9R0.18 CCCNC(=O)NCCS cd43bb96619ec48c12746abcdc470aa6 [0,2,0,0,0,0|1,0,0]=3 854 B9R0.18 CCCNC(=S)NCCS 33cfb6a73dc8828e775c0152a04bf150 [0,2,0,0,0,0|1,1,0]=4 855 B9R0.18 CCCOC(=O)CNC#N de93106f3bb02f5f7374c15436377378 [0,2,0,0,0,0|1,0,1]=4 856 B9R0.18 CCCOC(C)CCSC 73142708a2860b7c297104e6b288642f [0,2,0,0,0,0|1,0,1]=4 857 B9R0.18 CCNCC(=O)NCCO f0dbceae271282c3ff6663714718cc77 [0,2,0,0,0,0|1,1,0]=4 858 B9R0.18 CCOCC(=O)NCC#N d8f86aea7833dd42d8d104633d3bb3ae [0,2,0,0,0,0|1,0,1]=4 859 B9R0.18 CCOCC(=O)NCCBr 188a5c5950b7b078c6d2717759c5919e [0,2,0,0,0,0|1,0,0]=3 860 B9R0.18 CCOCC(=O)NCCF 23c51c0b7cd288963975af6a7cb94ce6 [0,2,0,0,0,0|1,0,0]=3 861 B9R0.18 CCOCC(=O)NCCI 048e96141a0b58286305185326e10bdc [0,2,0,0,0,0|1,0,0]=3 862 B9R0.18 CCOCC(=O)NCCO 4232164c729662df753fa9da7f624b37 [0,2,0,0,0,0|0,1,0]=3 863 B9R0.18 CCOCC(=O)NCCS 36147fd132ce902e715f1828cc95a3ca [0,2,0,0,0,0|0,0,0]=2 864 B9R0.18 CCOCC(C)OCCS ef3738b608064a32878a80603be3a3cd [0,2,0,0,0,0|1,0,1]=4 865 B9R0.18 CCOCN(C)CCSC 96d8a321121f97c1fc972bb132e56323 [0,2,0,0,0,0|2,0,0]=4 866 B9R0.18 CCSCC(=O)NCCBr a67e006949a9953368b6c21f66576225 [0,2,0,0,0,0|1,1,0]=4 867 B9R0.18 CCSCC(=O)NCCF 9ffbdf7bfac13ccb02a4df4b9c5c1ec1 [0,2,0,0,0,0|1,1,0]=4 868 B9R0.18 CCSCC(=O)NCCI e94bf45e297d3d690354c1a36393ba19 [0,2,0,0,0,0|1,1,0]=4 869 B9R0.18 CCSCC(=O)NCCO 36045fca78fe19f762e8c359711722ec [0,2,0,0,0,0|0,2,0]=4 870 B9R0.18 CCSCC(=O)NCCS db55e1bb3f66dedad6adeb56cf765a83 [0,2,0,0,0,0|0,1,0]=3 871 B9R0.18 CO/C=C/C(=O)NCCS 94cbc89b592789f9c55ad4de9854a108 [0,2,0,0,0,0|1,0,1]=4 872 B9R0.18 COC=CC(=O)NCCS afc82b128cd02061985a3d265b6bc400 [0,2,0,0,0,0|1,0,1]=4 873 B9R0.18 COCCC(=O)NCCBr f130c056ed3790213fdd2960494db613 [0,2,0,0,0,0|1,1,0]=4 874 B9R0.18 COCCC(=O)NCCF 3b79550f64f4a7039b2c4be8e9b846c4 [0,2,0,0,0,0|1,1,0]=4 875 B9R0.18 COCCC(=O)NCCI a733b34d537a87c545ba48cdc7acc291 [0,2,0,0,0,0|1,1,0]=4 876 B9R0.18 COCCC(=O)NCCO b5e285b41937c9aa98027cb971fe056b [0,2,0,0,0,0|1,1,0]=4 877 B9R0.18 COCCC(=O)NCCS a993c904600b344252bc84f04a69db79 [0,2,0,0,0,0|1,0,0]=3 878 B9R0.18 CSCCC(=O)NCC#N 7a03f529e7e14acc3e7cdf4cbee9a488 [0,2,0,0,0,0|1,0,1]=4 879 B9R0.18 CSCCC(=O)NCCBr ea08a7bfbf45e1f8a38b3f26dca6c117 [0,2,0,0,0,0|1,0,0]=3 880 B9R0.18 CSCCC(=O)NCCF 6f7acbde84975c223e97e32c1cc35da8 [0,2,0,0,0,0|1,0,0]=3 881 B9R0.18 CSCCC(=O)NCCI 93f1353dc20c43b8184cf13e3552539a [0,2,0,0,0,0|1,0,0]=3 882 B9R0.18 CSCCC(=O)NCCO cd589d7a0e4d026a26420d69f13f3bd8 [0,2,0,0,0,0|1,0,0]=3 883 B9R0.18 CSCCC(=O)NCCS fe572177d565b550f9b6d1c54b01450c [0,2,0,0,0,0|1,0,0]=3 884 B9R0.18 CSCCC(C)OCCF 7958bc388daebbc4b4c6242d21ae3a47 [0,2,0,0,0,0|1,0,1]=4 885 B9R0.18 CSCCC(C)OCCS 3c871f2597540a05c3984907234db18b [0,2,0,0,0,0|1,0,1]=4 886 B9R0.18 CSCCC(C)OCSC ee2bc520039b1d67636371da812c9808 [0,2,0,0,0,0|1,0,1]=4 887 B9R0.18 CSSCC(=O)NCCBr 7aeab67d520ef9d3b62c3e1e1d375865 [0,2,0,0,0,0|2,0,0]=4 888 B9R0.18 CSSCC(=O)NCCF aabda97110c3e64bc73d5ac3d226b7f1 [0,2,0,0,0,0|2,0,0]=4 889 B9R0.18 CSSCC(=O)NCCI af2295c42b68ef707b3dd97562c3d235 [0,2,0,0,0,0|2,0,0]=4 890 B9R0.18 CSSCC(=O)NCCO d93786c470c8be236b53f6ec772c4301 [0,2,0,0,0,0|2,0,0]=4 891 B9R0.18 CSSCC(=O)NCCS 674fb9647bb10c7e14142dc05ea001bd [0,2,0,0,0,0|1,1,0]=4 892 B9R0.18 FCCNC(=S)NCCS 39f63bf3403f6b417b1157e309dc52c8 [0,2,0,0,0,0|1,1,0]=4 893 B9R0.18 N#CCCC(=O)NCCBr 545115aac0565ad94e1b272d0c59d207 [0,2,0,0,0,0|2,0,0]=4 894 B9R0.18 N#CCCC(=O)NCCF cc986af2ab14472495e7d5231608a27e [0,2,0,0,0,0|2,0,0]=4 895 B9R0.18 N#CCCC(=O)NCCI 10fda4edf546f4de991c2a0cd830ec55 [0,2,0,0,0,0|2,0,0]=4 896 B9R0.18 N#CCCC(=O)NCCO 028d77cb3bde3c5534f3aede85d49fe6 [0,2,0,0,0,0|2,0,0]=4 897 B9R0.18 N#CCCC(=O)NCCS 15b3b37defabec0e521b6d06d52761fd [0,2,0,0,0,0|1,0,1]=4 898 B9R0.18 N#CCNC(=O)CCCS 44046a89c3c6a917e0b67ef4e7137dde [0,2,0,0,0,0|1,0,1]=4 899 B9R0.18 N#CCNC(=O)NCCS ef8ecb88801b1adfbdcd604410b39419 [0,2,0,0,0,0|1,0,1]=4 900 B9R0.18 NCCNC(=O)NCCF 779789ea747ccc5ca1aab16b8b325225 [0,2,0,0,0,0|2,0,0]=4 901 B9R0.18 NCCNC(=O)NCCN c2b657b0b2d7f4e727f44c6def7be344 [0,2,0,0,0,0|2,0,0]=4 902 B9R0.18 NCCNC(=O)NCCO 3c98f2f7591a01a373921c1426db9107 [0,2,0,0,0,0|1,1,0]=4 903 B9R0.18 NCCNC(=O)NCCS 267b95a1072a74d490b0be6876f7fcb9 [0,2,0,0,0,0|1,0,0]=3 904 B9R0.18 NCCNC(=S)NCCS d45807c8e361f8a0849e9e67ba1102db [0,2,0,0,0,0|1,1,0]=4 905 B9R0.18 O=C(/C=C/CF)NCCS efda5310879ed9536b15a4e78d6ccaf8 [0,2,0,0,0,0|1,0,1]=4 906 B9R0.18 O=C(/C=C/CO)NCCS c56c5bd496c191258dd67cce23ef400c [0,2,0,0,0,0|1,0,1]=4 907 B9R0.18 O=C(C#CCO)NCCS 8785b05bdc4053cc7b96d9cdadc21280 [0,2,0,0,0,0|1,0,1]=4 908 B9R0.18 O=C(C=CCO)NCCS 58303a2acff99566e1d86a9c3507a008 [0,2,0,0,0,0|1,0,1]=4 909 B9R0.18 O=C(CCCF)NCCBr 454639c983ec3682f4d57d1ec2bcf026 [0,2,0,0,0,0|2,0,0]=4 910 B9R0.18 O=C(CCCF)NCCF ad34e8af339b2a31998448cfc17501be [0,2,0,0,0,0|2,0,0]=4 911 B9R0.18 O=C(CCCF)NCCI 96be9ab611733cd089ece9902e243128 [0,2,0,0,0,0|2,0,0]=4 912 B9R0.18 O=C(CCCF)NCCO 148332670bdbe57694e65e058f1387a4 [0,2,0,0,0,0|1,1,0]=4 913 B9R0.18 O=C(CCCF)NCCS ee612c15499d17690d17e81f91cd16af [0,2,0,0,0,0|1,0,0]=3 914 B9R0.18 O=C(CCCS)NCCBr d43e0b043b9a5c392004a1608afa85bb [0,2,0,0,0,0|1,0,0]=3 915 B9R0.18 O=C(CCCS)NCCF 97df33e2c026134fbbc15142e58eeed1 [0,2,0,0,0,0|1,0,0]=3 916 B9R0.18 O=C(CCCS)NCCI b85b8b41742ef5e4f7e1a76ff50bec0a [0,2,0,0,0,0|1,0,0]=3 917 B9R0.18 O=C(CCCS)NCCO 2fdce65150ecd2129b2fa88f848eb2d0 [0,2,0,0,0,0|1,0,0]=3 918 B9R0.18 O=C(CCCS)NCCS 755924664cd9a54b9c9a50d8b854021e [0,2,0,0,0,0|1,0,0]=3 919 B9R0.18 O=C(CNCF)NCCO cb904887fa64090654f775b38763df53 [0,2,0,0,0,0|2,0,0]=4 920 B9R0.18 O=C(CNCO)NCCO df6aade421692c5ef1d4e0bb3c3952f7 [0,2,0,0,0,0|1,1,0]=4 921 B9R0.18 O=C(NCCF)NCCF c23cc0e18292833a9a9264c52bf4cf9f [0,2,0,0,0,0|2,0,0]=4 922 B9R0.18 O=C(NCCF)NCCS 23ef24e744e5c6a347724d37ce6ac124 [0,2,0,0,0,0|1,0,0]=3 923 B9R0.18 O=C(NCCO)NCCF 6f02f55e6b9010e416e130e42b9fc7a9 [0,2,0,0,0,0|1,1,0]=4 924 B9R0.18 O=C(NCCO)NCCO 640ff2a1258a6555f2071a293a5ad9d2 [0,2,0,0,0,0|1,1,0]=4 925 B9R0.18 O=C(NCCO)NCCS 867472d0da720118258992a3d02ca4da [0,2,0,0,0,0|1,0,0]=3 926 B9R0.18 O=C(NCCS)NCCS 2d3609a7f11d8aa685bf045d58c93e2b [0,2,0,0,0,0|1,0,0]=3 927 B9R0.18 O=CCCC(=O)NCCBr 5e28faaf55a334198fda294f5f705573 [0,2,0,0,0,0|1,1,0]=4 928 B9R0.18 O=CCCC(=O)NCCF 91d67e5cd52a149b17daa5a59d1d79c4 [0,2,0,0,0,0|1,1,0]=4 929 B9R0.18 O=CCCC(=O)NCCI bb362f10012fed1741c05ff46bbc1299 [0,2,0,0,0,0|1,1,0]=4 930 B9R0.18 O=CCCC(=O)NCCO c4b8aa0031e4f265e35bd211304e39e3 [0,2,0,0,0,0|1,1,0]=4 931 B9R0.18 O=CCCC(=O)NCCS 4c8743810095a8e50fd4231e55ba50eb [0,2,0,0,0,0|1,0,1]=4 932 B9R0.18 OCCNC(=S)NCCS 5080ba73de0f9777529c9529f7609c65 [0,2,0,0,0,0|1,1,0]=4 933 B9R0.18 S=C(NCCS)NCCS 32cf704aec7dc8485d7ebb4706fb08d6 [0,2,0,0,0,0|1,1,0]=4 934 B9R0.34 C#CC(C)NC(=O)CCC c49c69a099617650ae924b47a6cf528d [0,2,0,0,0,0|2,0,0]=4 935 B9R0.34 C#CC(C)NC(=O)CCF 954e72bf0086b7c6147e574dabbcdbf8 [0,2,0,0,0,0|2,0,0]=4 936 B9R0.34 C#CC(C)NC(=O)CCO f022dabb73602d42981e40fa59edb1e2 [0,2,0,0,0,0|1,1,0]=4 937 B9R0.34 C#CC(C)NC(=O)CCS 6c13915bede8f460033c7efe5a87fe68 [0,2,0,0,0,0|1,0,0]=3 938 B9R0.34 C#CC(C)OC(=S)CCC 1f05273c58bf7b729d89b66b8e074c37 [0,2,0,0,0,0|1,1,0]=4 939 B9R0.34 C#C[C@@H](C)NC(=O)CCC 6e82626b3807edfd7d62bf2f78f1641a [0,2,0,0,0,0|2,0,0]=4 940 B9R0.34 C#C[C@@H](C)NC(=O)CCF 1ebf0af2da3d03fe7ce0cd2440f745d6 [0,2,0,0,0,0|2,0,0]=4 941 B9R0.34 C#C[C@@H](C)NC(=O)CCO 60841c5e71bcbccdbedc8e941861e381 [0,2,0,0,0,0|1,1,0]=4 942 B9R0.34 C#C[C@@H](C)NC(=O)CCS 456a20cefe6beba66aaa9bb8770833cb [0,2,0,0,0,0|1,0,0]=3 943 B9R0.34 C#C[C@H](C)NC(=O)CCC f5eae96e89553574ceaaf6ca52f2d9c4 [0,2,0,0,0,0|2,0,0]=4 944 B9R0.34 C#C[C@H](C)NC(=O)CCF 03719be2b679a482337d6d9f23b00e3b [0,2,0,0,0,0|2,0,0]=4 945 B9R0.34 C#C[C@H](C)NC(=O)CCO 00667696f6ba476215ec4f9b1a780695 [0,2,0,0,0,0|1,1,0]=4 946 B9R0.34 C#C[C@H](C)NC(=O)CCS 572cdb7f722cbcd1b565f3ee42f197d4 [0,2,0,0,0,0|1,0,0]=3 947 B9R0.34 C=CC(C)NC(=O)CCC dace3a2f489dec5594f350050e771d82 [0,2,0,0,0,0|2,0,0]=4 948 B9R0.34 C=CC(C)NC(=O)CCF de6ea7cf3899743c94fdbbbfab8f7041 [0,2,0,0,0,0|2,0,0]=4 949 B9R0.34 C=CC(C)NC(=O)CCO f2dae650b10b503b9fce5e23ce2376cd [0,2,0,0,0,0|1,1,0]=4 950 B9R0.34 C=CC(C)NC(=O)CCS e1733fde915660c0f07bc388dd4560ae [0,2,0,0,0,0|1,0,0]=3 951 B9R0.34 C=CC(C)OC(=S)CCC 88b8ea1e45dba4c26f76814e633fff94 [0,2,0,0,0,0|1,1,0]=4 952 B9R0.34 CC(C#N)NC(=O)CCF f264d1cb584f474112df419f17f40869 [0,2,0,0,0,0|2,0,0]=4 953 B9R0.34 CC(C#N)NC(=O)CCO bcdbf1dae778729111249ff934909b54 [0,2,0,0,0,0|1,1,0]=4 954 B9R0.34 CC(C#N)NC(=O)CCS 3ce4b14b54a310d5a5bf0b484e254582 [0,2,0,0,0,0|1,0,0]=3 955 B9R0.34 CC(CO)NC(=O)CCF d88f6f449e26bb9e4f6e9a5c14f7e4b1 [0,2,0,0,0,0|2,0,0]=4 956 B9R0.34 CC(CO)NC(=O)CCO 1451167c210ea4ff78e1c778fbc93664 [0,2,0,0,0,0|1,1,0]=4 957 B9R0.34 CC(CO)NC(=O)CCS f94cb4b33cff667e921e580d3091c80c [0,2,0,0,0,0|1,0,0]=3 958 B9R0.34 CCC(C)NC(=O)CCF 897d964ca2cc8eb712029dcd0ee6bf63 [0,2,0,0,0,0|2,0,0]=4 959 B9R0.34 CCC(C)NC(=O)CCO b962fc4e6619b7e10119a59a59b706c4 [0,2,0,0,0,0|1,1,0]=4 960 B9R0.34 CCC(C)NC(=O)CCS 51871ba438815abf0ae6af354e3928c6 [0,2,0,0,0,0|1,0,0]=3 961 B9R0.34 CCCC(=O)CN(C)CC aab50acb4edd8cca9877e21b8238cd5a [0,2,0,0,0,0|2,0,0]=4 962 B9R0.34 CCCC(=O)NC(C)C#N 8bf41097989a1c2d1a6c07f2ede12182 [0,2,0,0,0,0|2,0,0]=4 963 B9R0.34 CCCC(=O)NC(C)CC 38c367e96c0a19794c8b20cd2fb7c376 [0,2,0,0,0,0|2,0,0]=4 964 B9R0.34 CCCC(=O)NC(C)CO a7090c1c1b405bd35722b578555619c9 [0,2,0,0,0,0|1,1,0]=4 965 B9R0.34 CCCC(=O)N[C@@H](C)CC efc6625fdae8a77efd786fcb0643e4e6 [0,2,0,0,0,0|2,0,0]=4 966 B9R0.34 CCCC(=O)N[C@@H](C)CO 4c6ad042e71ecf9f65651ad3da78b67c [0,2,0,0,0,0|1,1,0]=4 967 B9R0.34 CCCC(=O)N[C@H](C)CC 25ef63beafef1f6530659eafa2b0dfe9 [0,2,0,0,0,0|2,0,0]=4 968 B9R0.34 CCCC(=O)N[C@H](C)CO 33f6a48d549715835d933ee65f465f73 [0,2,0,0,0,0|1,1,0]=4 969 B9R0.34 CCCC(=S)OC(C)C#N ddc8209ab8df4df250e65f5682ac06b9 [0,2,0,0,0,0|1,1,0]=4 970 B9R0.34 CCCC(=S)OC(C)C=O 3c7abe2a7c1a7f94a5df3c2537a33cf8 [0,2,0,0,0,0|1,1,0]=4 971 B9R0.34 CCCC(=S)OC(C)CC 759daf290f9f81ad4a6f50dcaf2982e1 [0,2,0,0,0,0|1,1,0]=4 972 B9R0.34 CCCC(=S)O[C@H](C)C=O 225870f89a58fb5ecc6b36357f8d4ab0 [0,2,0,0,0,0|1,1,0]=4 973 B9R0.34 CCNC(=O)CN(C)CC 59c656345bbe98dac68b6425a09efbe0 [0,2,0,0,0,0|2,0,0]=4 974 B9R0.34 CCOC(=O)CN(C)CC a8474fa2e310db8d1704be7deba7f938 [0,2,0,0,0,0|1,0,0]=3 975 B9R0.34 CC[C@@H](C)NC(=O)CCF 2096cdab738ce6dd275899a92ce2e3cb [0,2,0,0,0,0|2,0,0]=4 976 B9R0.34 CC[C@@H](C)NC(=O)CCO 3ac150908206e0e8666e48c83803ccb1 [0,2,0,0,0,0|1,1,0]=4 977 B9R0.34 CC[C@@H](C)NC(=O)CCS 1a9f8047ad236cbf1e88b9c10c1fad05 [0,2,0,0,0,0|1,0,0]=3 978 B9R0.34 CC[C@H](C)NC(=O)CCF cf1ef90c58efa611d88c51e5180c0356 [0,2,0,0,0,0|2,0,0]=4 979 B9R0.34 CC[C@H](C)NC(=O)CCO 322f0603fdba897ce9e312b98e7e61d7 [0,2,0,0,0,0|1,1,0]=4 980 B9R0.34 CC[C@H](C)NC(=O)CCS ac021828c976e0f2230d9f77deffc893 [0,2,0,0,0,0|1,0,0]=3 981 B9R0.34 C[C@@H](CO)NC(=O)CCF 7889a6d0dbccabfa0fb414eaca1cf157 [0,2,0,0,0,0|2,0,0]=4 982 B9R0.34 C[C@@H](CO)NC(=O)CCO 8b43c65b62106c536feff9d8ff559ad2 [0,2,0,0,0,0|1,1,0]=4 983 B9R0.34 C[C@@H](CO)NC(=O)CCS c4c2821a47a185a995c669140e601999 [0,2,0,0,0,0|1,0,0]=3 984 B9R0.34 C[C@H](CO)NC(=O)CCF 7bdefee14611c154d4e85b87714bcccc [0,2,0,0,0,0|2,0,0]=4 985 B9R0.34 C[C@H](CO)NC(=O)CCO a49a8c8dd6ee85cd7f9f596380c2b944 [0,2,0,0,0,0|1,1,0]=4 986 B9R0.34 C[C@H](CO)NC(=O)CCS f7891767a09e6506be341d9a47c5bf08 [0,2,0,0,0,0|1,0,0]=3 987 B9R0.35 C#CCN(C)C(=O)CCS f926ae2c6f9ae4299ff68891a3c6e659 [0,2,0,0,0,0|1,0,1]=4 988 B9R0.35 C=CCN(C)C(=O)CCS 22bbf8d8ef87dce0335a25161d7d5220 [0,2,0,0,0,0|1,0,1]=4 989 B9R0.35 CCCC(=O)N(C)CCC 4f10a4b8ce3fe8d6db7f1b42323fcb3d [0,2,0,0,0,0|2,0,0]=4 990 B9R0.35 CCCC(=O)N(C)CCF 0119d351f9e71eb6e041402128a58ddc [0,2,0,0,0,0|2,0,0]=4 991 B9R0.35 CCCC(=O)N(C)CCO f0b5ab6bc74bbd3ffd5f7deea09303f1 [0,2,0,0,0,0|1,1,0]=4 992 B9R0.35 CCCN(C)C(=O)CCF 3692c7802f2ced3890f500b9fb96e349 [0,2,0,0,0,0|2,0,0]=4 993 B9R0.35 CCCN(C)C(=O)CCO 2c358179ff5e9410b64eb75b4194687e [0,2,0,0,0,0|1,1,0]=4 994 B9R0.35 CCCN(C)C(=O)CCS 44da94222c71c297c4c39e3067e08a51 [0,2,0,0,0,0|1,0,0]=3 995 B9R0.35 CCNC(=O)[C@H](C)NCC 214401333582d701d8596737f61e8294 [0,2,0,0,0,0|2,0,0]=4 996 B9R0.35 CCNC(=O)[C@H](C)NCF 647dbf3b46ecfc419c034e35268f1982 [0,2,0,0,0,0|2,0,0]=4 997 B9R0.35 CCNC(=O)[C@H](C)NCO a1dc75e0857f3efa55b51ecfab4c3824 [0,2,0,0,0,0|1,1,0]=4 998 B9R0.35 CCN[C@H](C)C(=O)OCC 6875bcc526feb7ae66bd8400bcf3b7da [0,2,0,0,0,0|1,0,0]=3 999 B9R0.35 CCOC(=O)C(C)NC#N ee901cb3285a6cbc45d9e42c5a9ba4f4 [0,2,0,0,0,0|1,0,1]=4 1000 B9R0.35 CCOC(=O)C(C)OCC f445527160852fc0c43d12c8fe5320cc [0,2,0,0,0,0|1,0,0]=3 1001 B9R0.35 CCOC(=O)C(C)OCF b72a5184b9f7f92b79234cb6ae816d22 [0,2,0,0,0,0|1,0,0]=3 1002 B9R0.35 CCOC(=O)C(F)NC#N 780a3fcc82f05a86955009920994f533 [0,2,0,0,0,0|1,0,1]=4 1003 B9R0.35 CCOC(=O)[C@@H](C)NC#N 4ef4dae9eb48172d3ac21aceb39b4367 [0,2,0,0,0,0|1,0,1]=4 1004 B9R0.35 CCOC(=O)[C@@H](C)NC=O 0f9df579f01069965cc9e83014d5c672 [0,2,0,0,0,0|0,1,1]=4 1005 B9R0.35 CCOC(=O)[C@@H](C)NCF a34a0072dde6c8449b3b5e27f2813cc5 [0,2,0,0,0,0|1,0,0]=3 1006 B9R0.35 CCOC(=O)[C@@H](C)NCO 3ba9ba881d44f88d48cc363193979b75 [0,2,0,0,0,0|0,1,0]=3 1007 B9R0.35 CCOC(=O)[C@@H](C)OCC 631e97abb6fd65233abf22b379a869bf [0,2,0,0,0,0|1,0,0]=3 1008 B9R0.35 CCOC(=O)[C@@H](C)OCF db29af7be0cd6ce5187adc16610b9c75 [0,2,0,0,0,0|1,0,0]=3 1009 B9R0.35 CCOC(=O)[C@H](C)NC#N e05af30a41b2e2170a2cd5e6b335fdff [0,2,0,0,0,0|1,0,1]=4 1010 B9R0.35 CCOC(=O)[C@H](C)OCC 62fff8344bfc0cb3adfb9e62dd68064a [0,2,0,0,0,0|1,0,0]=3 1011 B9R0.35 CCOC(=O)[C@H](C)OCF 58d923bf5f6e3bf0a31b0bd24fb6ba13 [0,2,0,0,0,0|1,0,0]=3 1012 B9R0.35 CN(CC#N)C(=O)CCS e71f05bd6ee132105092d6a52671c307 [0,2,0,0,0,0|1,0,1]=4 1013 B9R0.35 CN(CCF)C(=O)CCF 490f0d7a77b595c60966999bb4ef6eef [0,2,0,0,0,0|2,0,0]=4 1014 B9R0.35 CN(CCF)C(=O)CCO ab6ebd69967f06b7cbfb1fa6efe4d493 [0,2,0,0,0,0|1,1,0]=4 1015 B9R0.35 CN(CCF)C(=O)CCS c49f6fa643951aff57ea5ddd57cfe983 [0,2,0,0,0,0|1,0,0]=3 1016 B9R0.35 CN(CCO)C(=O)CCF d4dc252307f610dc3cc72839bc9f27ac [0,2,0,0,0,0|2,0,0]=4 1017 B9R0.35 CN(CCO)C(=O)CCO 803eef3c81993423a839946e938fba06 [0,2,0,0,0,0|1,1,0]=4 1018 B9R0.35 CN(CCO)C(=O)CCS 067d7d88984b823e6b22116a6ce4192e [0,2,0,0,0,0|1,0,0]=3 1019 B9R0.40 CCCCN(C=O)CCS a20b475fa5d1ceea20c555b8a71771e2 [0,2,0,0,0,0|2,0,0]=4 1020 B9R0.48 C=C(Br)CNC(=O)CCS 2321c60853075bfbdcbc4138ab335c39 [0,2,0,0,0,0|1,0,1]=4 1021 B9R0.48 C=C(C)CNC(=O)CCC 8798d18f5f118779f2ebf2a6aa1a07ee [0,2,0,0,0,0|2,0,0]=4 1022 B9R0.48 C=C(C)CNC(=O)CCF ec665802680d6b25560c54acdcf62fa6 [0,2,0,0,0,0|2,0,0]=4 1023 B9R0.48 C=C(C)CNC(=O)CCO f295b4fbed4d568ea85b27435f4a1a1d [0,2,0,0,0,0|1,1,0]=4 1024 B9R0.48 C=C(C)CNC(=O)CCS e9f32c43961494929643f230d1dd3313 [0,2,0,0,0,0|1,0,0]=3 1025 B9R0.48 C=C(C)COC(=S)CCC 062bee5a1931dceb7a99ac6754c8a6e0 [0,2,0,0,0,0|1,1,0]=4 1026 B9R0.48 CC(=O)CNC(=O)CCF d107193ce657c88df2652ef9baeb288c [0,2,0,0,0,0|2,0,0]=4 1027 B9R0.48 CC(=O)CNC(=O)CCO c299cd7b6e99612f6d546a77c82b470b [0,2,0,0,0,0|1,1,0]=4 1028 B9R0.48 CC(=O)CNC(=O)CCS 57b6b0d2d091bf19026d70091c345536 [0,2,0,0,0,0|1,0,0]=3 1029 B9R0.48 CC(C)CNC(=O)CCF 826700e367231bc545e19b99db141768 [0,2,0,0,0,0|2,0,0]=4 1030 B9R0.48 CC(C)CNC(=O)CCO 08f3d4ee1660e29d5ac3dec2e1de53b3 [0,2,0,0,0,0|1,1,0]=4 1031 B9R0.48 CC(C)CNC(=O)CCS 86fefd6d585490fd9e35b853263eb718 [0,2,0,0,0,0|1,0,0]=3 1032 B9R0.48 CC(O)CNC(=O)CCF 7757526ea6f90212ff828df92a81524c [0,2,0,0,0,0|2,0,0]=4 1033 B9R0.48 CC(O)CNC(=O)CCO b1635c07c3f511f2b77001a38f892231 [0,2,0,0,0,0|1,1,0]=4 1034 B9R0.48 CC(O)CNC(=O)CCS dab7482190fb8fba11ac4545e829c43e [0,2,0,0,0,0|1,0,0]=3 1035 B9R0.48 CCCC(=O)COC(C)C bda6e210e89c477f850b0ed2f7c35c92 [0,2,0,0,0,0|1,0,0]=3 1036 B9R0.48 CCCC(=O)NCC(=O)C 2da9b0181737be2a6f0a306a2b6bdda4 [0,2,0,0,0,0|2,0,0]=4 1037 B9R0.48 CCCC(=O)NCC(C)C 7be62da310536c4ced65314ef5418719 [0,2,0,0,0,0|2,0,0]=4 1038 B9R0.48 CCCC(=O)NCC(C)O ba53379307f7ae08a2b5b3adca0ac823 [0,2,0,0,0,0|1,1,0]=4 1039 B9R0.48 CCCC(=O)NCC(F)F b25dac1762974bb69abf8a625d0f8c67 [0,2,0,0,0,0|2,0,0]=4 1040 B9R0.48 CCCC(=O)NC[C@@H](C)O 2eea508114803a331a902914666075a1 [0,2,0,0,0,0|1,1,0]=4 1041 B9R0.48 CCCC(=O)NC[C@H](C)O b4f7691f264345400cd9717008b17039 [0,2,0,0,0,0|1,1,0]=4 1042 B9R0.48 CCCC(=S)OCC(C)C c4d61142d19f3b95bf6fc47b82091ab4 [0,2,0,0,0,0|1,1,0]=4 1043 B9R0.48 CCCC(=S)OCC(F)F 4e5a23488e59d510c25f82807faa17ca [0,2,0,0,0,0|1,1,0]=4 1044 B9R0.48 CCCC(=S)OCN(C)C 90268128f593c656a899cd1aeed8f1e4 [0,2,0,0,0,0|1,1,0]=4 1045 B9R0.48 CCNC(=O)CNC(C)C e4859b939cf74625a255ec0cb59c0de7 [0,2,0,0,0,0|2,0,0]=4 1046 B9R0.48 CCNC(=O)COC(C)C c828d8acf61877ee15690716396e9a0a [0,2,0,0,0,0|2,0,0]=4 1047 B9R0.48 CCOC(=O)CNC(=O)C eefea8b66cbae53eb0645dbc6dff51ca [0,2,0,0,0,0|0,1,1]=4 1048 B9R0.48 CCOC(=O)CNC(C)C 80d7999aed865ea280b457aaf3d32f53 [0,2,0,0,0,0|1,0,0]=3 1049 B9R0.48 CCOC(=O)COC(C)C 228e90334048907c42f17a3b8b5d3d98 [0,2,0,0,0,0|1,0,0]=3 1050 B9R0.48 COCC(=O)COC(C)C 8939b2d2f657a9aa8b5fe020856934ec [0,2,0,0,0,0|2,0,0]=4 1051 B9R0.48 C[C@@H](O)CNC(=O)CCF 2b7488dccbe633938ac10d081588a52a [0,2,0,0,0,0|2,0,0]=4 1052 B9R0.48 C[C@@H](O)CNC(=O)CCO 01b1ffada3c2f0f23e1dce4445c2104f [0,2,0,0,0,0|1,1,0]=4 1053 B9R0.48 C[C@@H](O)CNC(=O)CCS 211c2eb3fab7240e8f12677b13139a27 [0,2,0,0,0,0|1,0,0]=3 1054 B9R0.48 C[C@H](O)CNC(=O)CCF d3bafacfa081196fcd8a7ab00ec7ca7e [0,2,0,0,0,0|2,0,0]=4 1055 B9R0.48 C[C@H](O)CNC(=O)CCO e03a4db8a40c5ae1a7bd3001f9c12be5 [0,2,0,0,0,0|1,1,0]=4 1056 B9R0.48 C[C@H](O)CNC(=O)CCS 1ae07cce24e7953421707524a017a693 [0,2,0,0,0,0|1,0,0]=3 1057 B9R0.48 NC(=O)CNC(=O)CCS bcaf0389aa332cf3b05d7dab40146212 [0,2,0,0,0,0|1,0,1]=4 1058 B9R0.48 O=C(CCF)NCC(F)F 113bf0e65449398925a3db4371355599 [0,2,0,0,0,0|2,0,0]=4 1059 B9R0.48 O=C(CCO)NCC(F)F dddb9f55792c798fcfdf5c0149cb6509 [0,2,0,0,0,0|1,1,0]=4 1060 B9R0.48 O=C(CCS)NCC(F)F b0b405513b2669ac31704365cbf9b40d [0,2,0,0,0,0|1,0,0]=3 1061 B9R0.6 CC(C)N(C)C(=O)CCF def377bf35704187f8f135740782fa66 [0,2,0,0,0,0|2,0,0]=4 1062 B9R0.6 CC(C)N(C)C(=O)CCO eb4b9a959ea9bc4492d1d1d9953b010e [0,2,0,0,0,0|1,1,0]=4 1063 B9R0.6 CCCC(=O)N(C)C(C)C ad95bb06ca801adf4bec9bbbf68ab199 [0,2,0,0,0,0|2,0,0]=4 1064 B9R0.23 CCN(C)C(=O)CC(C)C f5aa9c983521ea19a241f566d93b8cfe [0,2,0,0,0,0|2,0,0]=4 1065 B9R0.23 CCN(C)C(=O)CC(C)O 79286a139a82e16689440e15446c3090 [0,2,0,0,0,0|1,1,0]=4 1066 B9R0.23 CCN(C)C(=O)CC(F)F 44176240a88b9a342dba7b1571aef862 [0,2,0,0,0,0|2,0,0]=4 1067 B9R0.23 CCN(C)C(=O)C[C@@H](C)O 8eb99e0152f4508f4faade829e02b3f3 [0,2,0,0,0,0|1,1,0]=4 1068 B9R0.23 CCN(C)C(=O)C[C@H](C)O ad454d3c45b697685e93ab87b03c70c6 [0,2,0,0,0,0|1,1,0]=4 1069 B9R0.27 CCC(O)C(=O)N(C)CC 7fe60461ae1cf0ce898084f331e25b96 [0,2,0,0,0,0|2,0,0]=4 1070 B9R0.27 CCN(C)C(=O)C(=O)CS 393884064298aa4750dcc2768bb6d0cd [0,2,0,0,0,0|1,0,1]=4 1071 B9R0.27 CCN(C)C(=O)C(O)CO 614f98d2511e874540b57f4af03f791b [0,2,0,0,0,0|1,1,0]=4 1072 B9R0.27 CCN(C)C(=O)[C@@H](O)CO 68a66d0d08e26a47b0954aca12095261 [0,2,0,0,0,0|1,1,0]=4 1073 B9R0.27 CCN(C)C(=O)[C@H](O)CF 291c71b7a9dc6398d1ee0e39b0ba0c12 [0,2,0,0,0,0|2,0,0]=4 1074 B9R0.27 CC[C@@H](O)C(=O)N(C)CC 6908b20d77ae0f0430d98fb841cfee5f [0,2,0,0,0,0|2,0,0]=4 1075 B9R0.27 CC[C@H](O)C(=O)N(C)CC 5eec0dce07fe184965e5459f1cba2be2 [0,2,0,0,0,0|2,0,0]=4 1076 B9R0.27 CC[C@H](S)C(=O)N(C)CC 4b048fd6523d53f83175bc30265017aa [0,2,0,0,0,0|2,0,0]=4 1077 B9R0.44 CC(C)(C)NC(=O)CCF 4fde79aa23af08edb44e6f33c1090ea4 [0,2,0,0,0,0|2,0,0]=4 1078 B9R0.44 CC(C)(C)NC(=O)CCO 9eeca0f0c480bc0f5378705882b5f48f [0,2,0,0,0,0|1,1,0]=4 1079 B9R0.44 CC(C)(C)NC(=O)CCS 5bc835e3c933865a7db6a98e27167215 [0,2,0,0,0,0|1,0,0]=3 1080 B9R0.44 CCCC(=O)NC(C)(C)C 31a39f902168f0d0780984e352ac78d4 [0,2,0,0,0,0|2,0,0]=4 1081 B9R0.44 CCOC(C)CC(C)(C)S c3ceb85f6bafd03ecceb01ee39dd5983 [0,2,0,0,0,0|1,0,1]=4 1082 B9R0.15 CCCC(OCC)C(=O)N 5e17f02760d6fc55f241c2f1ab74a4ca [0,2,0,0,0,0|1,0,1]=4 1083 B9R0.15 CCCC(OCC)C(=O)O 557cdda2d42ce9925ebe94072fd2dc3e [0,2,0,0,0,0|1,0,1]=4 1084 B9R0.15 CCC[C@@H](OCC)C(=O)O e0fb7807d37784e305105182208c5882 [0,2,0,0,0,0|1,0,1]=4 1085 B9R0.15 CCC[C@H](OCC)C(=O)O b55cb319009947167c9d3030186a699d [0,2,0,0,0,0|1,0,1]=4 1086 B9R0.15 CCNC(CCS)C(=O)O 894adeafb354342691704082b81ad183 [0,2,0,0,0,0|1,0,1]=4 1087 B9R0.15 CCN[C@@H](CCS)C(=O)O eeabf13919210a3d1e14227029df672b [0,2,0,0,0,0|1,0,1]=4 1088 B9R0.15 CCN[C@H](CCS)C(=O)O e4df37a7af8193f737f4aec8b2a9026e [0,2,0,0,0,0|1,0,1]=4 1089 B7R1.1 CCN1CCSC1 730634b8317de27b8a9a28fdabe291cf [1,0,0,1,0,0|2,0,0]=4 1090 B7R1.6 CCOC1CCC1 1be1aa1621ba0b71d53802beb6ef9946 [1,0,0,1,0,0|1,0,1]=4 1091 B7R1.6 CCOC1CSC1 e43094097e190583d3451ab95271420f [1,0,0,1,0,0|1,0,1]=4 1092 B7R1.6 SCCN1CCC1 ec2df4a9d0cd081fc93da3aeca69b593 [1,0,0,1,0,0|2,0,0]=4 1093 B7R1.7 CCOCC1CC1 744f8109a21f695c28440e411c1b9ca0 [1,0,0,1,0,0|1,0,1]=4 1094 B7R1.7 SCCNC1CC1 c809924f8210012f5574eb4a4f7021ba [1,0,0,1,0,0|2,0,0]=4 1095 B7R1.7 SCCOC1CC1 b7a85648a7aee83a47e4374e76fa4b99 [1,0,0,1,0,0|2,0,0]=4 1096 B9R1.2 CCN1CCCC(=O)C1 b0afeee675d5ec52ec51d9d2cdcf36a5 [0,1,0,1,0,0|2,0,0]=4 1097 B9R1.2 CCN1CCNC(=O)C1 8ee087b200f253c3cbe099e9fc72a94a [0,1,0,1,0,0|2,0,0]=4 1098 B9R1.2 CCN1CCOC(=O)C1 3f4941c9ffb61ce7dcae55397d747220 [0,1,0,1,0,0|1,0,0]=3 1099 B9R1.2 O=C1CCCN(C1)CF 4a3aadad28924fa951595c84af73b014 [0,1,0,1,0,0|2,0,0]=4 1100 B9R1.2 O=C1CCCN(C1)CO 6d0678682a57a081022f992f70f98004 [0,1,0,1,0,0|1,1,0]=4 1101 B9R1.2 O=C1CN(CCN1)CF 5bafb41e77e8fcc47f20b3f5b7855411 [0,1,0,1,0,0|2,0,0]=4 1102 B9R1.2 O=C1CN(CCN1)CO 0ce2c3b0e7d808508a34999d9467140c [0,1,0,1,0,0|1,1,0]=4 1103 B9R1.2 O=C1CN(CCO1)CF c923694c0bf9f6f1496b855a5b8b01b2 [0,1,0,1,0,0|1,0,0]=3 1104 B9R1.2 O=C1CN(CCO1)CO 8db94e8adcec68c019e224a8c72e73db [0,1,0,1,0,0|0,1,0]=3 1105 B9R1.2 O=CN1CCOC(=O)C1 64e52dc909f50b8e1649c1cdcf0cde99 [0,1,0,1,0,0|0,1,1]=4 1106 B9R1.7 CCOC1=CC(=O)CC1 48a7469ac82c40a0eca1f40d8071b6ec [0,1,0,1,0,0|1,1,0]=4 1107 B9R1.8 CCOC1CCCSC1 8f50cc38cd9825cb05861ebd8195f318 [0,1,0,1,0,0|1,0,1]=4 1108 B9R1.8 CCOC1CCSCC1 45ac356b0a4faae19c54a0a24f086ac8 [0,1,0,1,0,0|1,0,1]=4 1109 B9R1.8 SCCN1CCCOC1 893a8d975b9660a4e9697691e49955e0 [0,1,0,1,0,0|2,0,0]=4 1110 B9R1.12 CCCOC1CCSC1 fc9e487eb825d14f235b876c3bbdabe1 [0,1,0,1,0,0|1,0,1]=4 1111 B9R1.12 CCCO[C@@H]1CCSC1 857d38deec95d71a6c13b08d35a3e44d [0,1,0,1,0,0|1,0,1]=4 1112 B9R1.12 CCCO[C@H]1CCSC1 04bf48acf94ce8449471813ae1bee855 [0,1,0,1,0,0|1,0,1]=4 1113 B9R1.12 CCOCN1CCSC1 ec35453af9a09dcfa1e30b0412e08897 [0,1,0,1,0,0|2,0,0]=4 1114 B9R1.12 COCOC1CCSC1 68275d2dbe8be17733396f3053c214ec [0,1,0,1,0,0|1,0,1]=4 1115 B9R1.12 COCO[C@@H]1CCSC1 7d53f49d684a9180b1c33386777891ac [0,1,0,1,0,0|1,0,1]=4 1116 B9R1.12 COCO[C@H]1CCSC1 2e4e1272ce572991723ec546fb5b52a9 [0,1,0,1,0,0|1,0,1]=4 1117 B9R1.12 CSCOC1CCSC1 bcb85737cc5aaa6113d0a31bd110800e [0,1,0,1,0,0|1,0,1]=4 1118 B9R1.12 CSCO[C@@H]1CCSC1 8b12cf96f1f1b752543e5061d9b736d5 [0,1,0,1,0,0|1,0,1]=4 1119 B9R1.12 CSCO[C@H]1CCSC1 af058d9a184a89e30fa8410ac05105b6 [0,1,0,1,0,0|1,0,1]=4 1120 B9R1.12 FCCOC1CCSC1 630c15e77520505e31017002292d16d8 [0,1,0,1,0,0|1,0,1]=4 1121 B9R1.12 FCCO[C@@H]1CCSC1 08b0ddd83ef2ffa9acad590a98b42bda [0,1,0,1,0,0|1,0,1]=4 1122 B9R1.12 FCCO[C@H]1CCSC1 24d573dbeed11db6ffaeb7b8fe4cd838 [0,1,0,1,0,0|1,0,1]=4 1123 B9R1.12 SCCOC1CCCO1 8dbb3fe838b96ce29ae716c47c93ca97 [0,1,0,1,0,0|1,0,1]=4 1124 B9R1.12 SCCOC1CCSC1 c9e1b9a7688f8cb2cacccbe59a226041 [0,1,0,1,0,0|1,0,1]=4 1125 B9R1.12 SCCO[C@@H]1CCSC1 368fa5abed56049a6b7218bcf19d6c94 [0,1,0,1,0,0|1,0,1]=4 1126 B9R1.12 SCCO[C@H]1CCSC1 ef68dd8bb9cb76a99548e22f0083753d [0,1,0,1,0,0|1,0,1]=4 1127 B9R1.22 CCN1CC(=O)SC1S 37ca21c1e1816bfa530b6bbf2b2eaad2 [0,1,0,1,0,0|2,0,0]=4 1128 B9R1.33 CCNC1CCNC1=O 7ca8029da61d3d4038e53b166243ebeb [0,1,0,1,0,0|2,0,0]=4 1129 B9R1.33 CCNC1CCSC1=O b170125bf493751e42532dd86c219256 [0,1,0,1,0,0|1,0,1]=4 1130 B9R1.33 CCN[C@@H]1CCNC1=O b778b480924bfa692e02248b56fb56cd [0,1,0,1,0,0|2,0,0]=4 1131 B9R1.33 CCN[C@@H]1CCOC1=O 74b3897799f45738d0bb44924384c10e [0,1,0,1,0,0|1,0,0]=3 1132 B9R1.33 CCN[C@H]1CCNC1=O 659170641ab39dc9cbd8871033438dcc [0,1,0,1,0,0|2,0,0]=4 1133 B9R1.33 CCN[C@H]1CCOC1=O 5ec21f69d9ce47df74aa6d4e2b7c83d0 [0,1,0,1,0,0|1,0,0]=3 1134 B9R1.33 CCOC1=CCCC1=O 9fef6e163e059a9e927a72209e5c8e3f [0,1,0,1,0,0|1,0,0]=3 1135 B9R1.33 CCOC1CCCC1=O 19fd59f8b378305519536cfc5c950157 [0,1,0,1,0,0|1,0,0]=3 1136 B9R1.33 CCOC1CCNC1=O 8fdacff95d4ce2d1c3d495fa66f75dd5 [0,1,0,1,0,0|1,0,1]=4 1137 B9R1.33 CCO[C@@H]1CCNC1=O d615de1523fb9db14752de0db1c501b4 [0,1,0,1,0,0|1,0,1]=4 1138 B9R1.33 CCO[C@H]1CCNC1=O 5eaae9c583183b85f65e479b22e5ff87 [0,1,0,1,0,0|1,0,1]=4 1139 B9R1.33 O=C1CCC=C1OCF b22058576bb364e41f2e3ffa14cab4cd [0,1,0,1,0,0|2,0,0]=4 1140 B9R1.33 O=C1CCCC1OCF b783fc93d29df7b700fa1dae2c7b2018 [0,1,0,1,0,0|2,0,0]=4 1141 B9R1.33 O=C1NCCC1NCF e934d4b546df5e1c21b2abb87c40be93 [0,1,0,1,0,0|2,0,0]=4 1142 B9R1.33 O=C1NCCC1NCO f89457b8b6195d5e1e378aab9b707899 [0,1,0,1,0,0|1,1,0]=4 1143 B9R1.33 O=C1NCCC1OCF 73ec71a289921f584b3988da331f4766 [0,1,0,1,0,0|2,0,0]=4 1144 B9R1.33 O=C1NCC[C@@H]1NCF aa36b634ddd34b967ad5a52483739117 [0,1,0,1,0,0|2,0,0]=4 1145 B9R1.33 O=C1NCC[C@@H]1NCO 8e6a4f04c55a75e390a6856d15c97bad [0,1,0,1,0,0|1,1,0]=4 1146 B9R1.33 O=C1NCC[C@@H]1OCF 567831d654d4c3b0f3ecd3178744a17b [0,1,0,1,0,0|2,0,0]=4 1147 B9R1.33 O=C1NCC[C@H]1NCF d2e1dbc662f1cc4ae8e5908e2cede490 [0,1,0,1,0,0|2,0,0]=4 1148 B9R1.33 O=C1NCC[C@H]1NCO d03ec1da6f87c1b1f9b15a44bc1d78ad [0,1,0,1,0,0|1,1,0]=4 1149 B9R1.33 O=C1NCC[C@H]1OCF 3225acd7e5de778f9cd3a600f37ca60a [0,1,0,1,0,0|2,0,0]=4 1150 B9R1.33 O=C1OCCC1OCF b85388f82f2377d14f86f51a66ceceb4 [0,1,0,1,0,0|1,0,0]=3 1151 B9R1.33 O=C1OCC[C@@H]1NCF e1dd4e315ccdd3ee423490069e903050 [0,1,0,1,0,0|1,0,0]=3 1152 B9R1.33 O=C1OCC[C@@H]1NCO fd71f95ebb01bbdbbb2ef25d589937b3 [0,1,0,1,0,0|0,1,0]=3 1153 B9R1.33 O=C1OCC[C@@H]1OCF 04d97e9b330871c6652fe82ab6503f03 [0,1,0,1,0,0|1,0,0]=3 1154 B9R1.33 O=C1OCC[C@H]1NCF f31145c15fd3ca3d3a6551d0366095af [0,1,0,1,0,0|1,0,0]=3 1155 B9R1.33 O=C1OCC[C@H]1NCO e4d04d631c6f331f98f78546df6deaf9 [0,1,0,1,0,0|0,1,0]=3 1156 B9R1.33 O=C1OCC[C@H]1OCF 120575dbb395d8d5ab73f91874f52789 [0,1,0,1,0,0|1,0,0]=3 1157 B9R1.33 O=C1SCCC1NCF ba2963085da0901be8e733658eebcd1e [0,1,0,1,0,0|1,1,0]=4 1158 B9R1.33 O=C1SCCC1NCO 971434990856107bfee853a9f2299987 [0,1,0,1,0,0|0,2,0]=4 1159 B9R1.33 O=CN[C@@H]1CCOC1=O 3c925f02e8c278e6bf7011b9f0b36e54 [0,1,0,1,0,0|0,1,1]=4 1160 B9R1.33 O=CN[C@H]1CCOC1=O e0e2c83eea6e610346dbde5e79237504 [0,1,0,1,0,0|0,1,1]=4 1161 B9R1.73 CCCC(=O)N1CCC1 b9e876839971b187f661e113b9a53ca2 [0,1,0,1,0,0|2,0,0]=4 1162 B9R1.73 O=C(CCF)N1CCC1 bb559f6885d7d441160ca927c5345104 [0,1,0,1,0,0|2,0,0]=4 1163 B9R1.73 O=C(CCO)N1CCC1 6bf1607e1869d0d3c01dd7fbd6df2013 [0,1,0,1,0,0|1,1,0]=4 1164 B9R1.73 O=C(CCS)N1CCC1 ee796e97333685a3b185a8d5371c5c7a [0,1,0,1,0,0|1,0,0]=3 1165 B9R1.75 CCCC(=O)NC1CC1 028552bd156ea71ac79a63cdced96f76 [0,1,0,1,0,0|2,0,0]=4 1166 B9R1.75 CCCC(=S)OC1CC1 3ede2199ba2d3ee23fa79963c2e45e7c [0,1,0,1,0,0|1,1,0]=4 1167 B9R1.75 O=C(CCF)NC1CC1 f4f959ab785bacb991df30ef7dd32593 [0,1,0,1,0,0|2,0,0]=4 1168 B9R1.75 O=C(CCO)NC1CC1 f15a65ccaca9d8820605caf55c17a155 [0,1,0,1,0,0|1,1,0]=4 1169 B9R1.75 O=C(CCS)NC1CC1 ed08d540c2a5257851f19cb0481e47b0 [0,1,0,1,0,0|1,0,0]=3 1170 B9R1.100 CCOCC(=O)C1CC1 b9194438dffcb8b1a607cfe8f059893d [0,1,0,1,0,0|1,0,0]=3 1171 B9R1.100 O=C(COCF)C1CC1 6391bb6513567f7388771542b505bad8 [0,1,0,1,0,0|2,0,0]=4 1172 B9R1.13 CC(C)OC1CCSC1 1f2f010f9f2374295df189a9be5fa659 [0,1,0,1,0,0|1,0,1]=4 1173 B9R1.13 CC(C)O[C@@H]1CCSC1 195fa7f05861cf68754ecd9e3cb16cb3 [0,1,0,1,0,0|1,0,1]=4 1174 B9R1.13 CC(C)O[C@H]1CCSC1 916e317264db675ccef5a40312568be1 [0,1,0,1,0,0|1,0,1]=4