0 B8R0.9 C#CC(C)NCC(=O)O 6d3e097d7e417cba1ca3cc5354bf3682 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.9 C#CC(C)OCC(=O)O 86945981ae8eaaa778f83ec3ae4ff391 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.9 C#C[C@@H](C)NCC(=O)O 870b1440fbecf6ad620d6ff4e4eac50b [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 C#C[C@@H](C)OCC(=O)O 9bbfddfb8eea4f6aea8d08313b189ed8 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.9 C#C[C@H](C)NCC(=O)O 3c98bce4a0db3f45a27121a2c37598a6 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.9 C#C[C@H](C)OCC(=O)O 33b89dc76124892fb33f6382d6c567d7 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.9 C=C(C=O)OCC(=O)O 51cf25f24ad7581d33b70bddaf0e4f72 [0,0,0,0,0,0|3,0,1]=4 7 B8R0.9 C=CC(=O)NCC(=O)C f3e7b40bd3652c0c7e95694f9b8e4899 [0,0,0,0,0,0|3,0,1]=4 8 B8R0.9 C=CC(=O)NCC(=O)N 20b8ac41e9b4db2afe985e4cd5c593a7 [0,0,0,0,0,0|3,0,1]=4 9 B8R0.9 C=CC(C)NCC(=C)Br 97a5ae0d9061ba51692b56fece1438e9 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.9 C=CC(C)NCC(=C)C 0eca40f29db4f236b1c1ddaee93e9a36 [0,0,0,0,0,0|4,0,0]=4 11 B8R0.9 C=CC(C)NCC(=C)Cl 7c60ed0f6865b99ab7acf93c6929e84b [0,0,0,0,0,0|4,0,0]=4 12 B8R0.9 C=CC(C)NCC(=C)F 53d1c724addb042002809abe44e85a81 [0,0,0,0,0,0|4,0,0]=4 13 B8R0.9 C=CC(C)NCC(=O)C b2014bf11d5705e4d318fa019758c231 [0,0,0,0,0,0|3,0,0]=3 14 B8R0.9 C=CC(C)NCC(=O)N 8e99b62ce7b0cacfac123da3e0d44453 [0,0,0,0,0,0|3,0,0]=3 15 B8R0.9 C=CC(C)NCC(=O)O 7295ae78f031d02442986d01915b1589 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.9 C=CC(C)NCC(C)O 5144cb9722b00c930d39b008230dd71b [0,0,0,0,0,0|3,0,1]=4 17 B8R0.9 C=CC(C)NC[C@@H](C)O 6cab4c064f4e4a3576f4614dc457cfe2 [0,0,0,0,0,0|3,0,1]=4 18 B8R0.9 C=CC(C)NC[C@H](C)O aa1119f23f12ec0262686c78c2712eec [0,0,0,0,0,0|3,0,1]=4 19 B8R0.9 C=CC(C)NC[N+](=O)[O-] 71a5e7c6a4bf690df891945652314075 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.9 C=CC(C)OCC(=C)Br 876b89edfbd98fa617aae11669b20c7a [0,0,0,0,0,0|4,0,0]=4 21 B8R0.9 C=CC(C)OCC(=C)C 0d3391aea882dd5c3878f3b3d582478c [0,0,0,0,0,0|4,0,0]=4 22 B8R0.9 C=CC(C)OCC(=C)Cl ae50f0ae12f8f699e5e0f57b7d0db6ab [0,0,0,0,0,0|4,0,0]=4 23 B8R0.9 C=CC(C)OCC(=C)F 497251f1fb0c7aa5d71c4f7bba051f9d [0,0,0,0,0,0|4,0,0]=4 24 B8R0.9 C=CC(C)OCC(=C)I f6878502b4dec026f4ecaa6e85027fda [0,0,0,0,0,0|4,0,0]=4 25 B8R0.9 C=CC(C)OCC(=O)C 9ad41a13855017a691d90b159b9e2ebc [0,0,0,0,0,0|3,0,0]=3 26 B8R0.9 C=CC(C)OCC(=O)N 0d06a7ddf76614144a3227f608d154b8 [0,0,0,0,0,0|3,0,0]=3 27 B8R0.9 C=CC(C)OCC(=O)O a247bec38dd53f48038da06d8390c9f2 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.9 C=CC(C)OCC(=S)N 2c627564f5b5416680379fa5c4ccca61 [0,0,0,0,0,0|3,1,0]=4 29 B8R0.9 C=CC(C)OCS(=O)O 12c96805dce8caf3e1fcf3a0ad025e66 [0,0,0,0,0,0|3,0,0]=3 30 B8R0.9 C=CC(C)OC[N+](=O)[O-] 6d0c600631f80edc305be5991ee194ab [0,0,0,0,0,0|3,0,1]=4 31 B8R0.9 C=CC(O)CNC(=O)C 81607a1da75c9494462df99b512c5607 [0,0,0,0,0,0|3,0,0]=3 32 B8R0.9 C=C[C@H](C)OCC(=C)Br 739a483c5ed0ca8d2247c1b88e284579 [0,0,0,0,0,0|4,0,0]=4 33 B8R0.9 C=C[C@H](C)OCC(=C)C 36bf8fb48505495f4a9f1836e7a25b25 [0,0,0,0,0,0|4,0,0]=4 34 B8R0.9 C=C[C@H](C)OCC(=C)Cl 7bd013accf6fa4129aa635728c6e90e9 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.9 C=C[C@H](C)OCC(=C)F e1b3871609ed0aa11dee8b1a40e0f30e [0,0,0,0,0,0|4,0,0]=4 36 B8R0.9 C=C[C@H](C)OCC(=O)N ba49805e8ed0d5d0e00a52526e184ffd [0,0,0,0,0,0|3,0,0]=3 37 B8R0.9 C=C[C@H](C)OCC(=O)O 11d6db631afaf24abf76538c811f1efa [0,0,0,0,0,0|2,0,0]=2 38 B8R0.9 C=C[C@H](C)OC[N+](=O)[O-] 4872241508365d36412b3eef323b03e9 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.9 CC(=O)CNC(C)C=O 5305abebdd5439cbe27a612adc8c23ab [0,0,0,0,0,0|4,0,0]=4 40 B8R0.9 CC(=O)CN[C@H](C)C=O aeb82f57e8a877f800a721396ffa0f59 [0,0,0,0,0,0|4,0,0]=4 41 B8R0.9 CC(=O)COC(C)C=O b91d02ad7a67994d76fa088d267acff2 [0,0,0,0,0,0|4,0,0]=4 42 B8R0.9 CC(=O)CO[C@H](C)C=O 6df7154fde8ca8fb45e199e7b6ad0f88 [0,0,0,0,0,0|4,0,0]=4 43 B8R0.9 CC(C#N)NCC(=O)O b4dc74a9f9a0e75fffde2f481c0af544 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.9 CC(C=O)NCC(=O)N 8e22627cfffb50e4ce2f26bd34026793 [0,0,0,0,0,0|4,0,0]=4 45 B8R0.9 CC(C=O)NCC(=O)O 002ce333b4dccb41c4d993d9c09ef2b3 [0,0,0,0,0,0|3,0,0]=3 46 B8R0.9 CC(C=O)OCC(=O)N e8fdf3bf6f6dfcc63a5ed65bb70bb389 [0,0,0,0,0,0|4,0,0]=4 47 B8R0.9 CC(C=O)OCC(=O)O 564a75409a0d42515a0d6296982e94e6 [0,0,0,0,0,0|3,0,0]=3 48 B8R0.9 CC(C=O)OCS(=O)O 9f51c4b3c988e5d0280d7682a1bfd66e [0,0,0,0,0,0|4,0,0]=4 49 B8R0.9 CC(CF)OCC(=O)O 72064f294e73f6a982bc7e430390395e [0,0,0,0,0,0|3,0,1]=4 50 B8R0.9 CC(CO)NCC(=O)O 3fa1442f69c9dfa3ad5830b54dce922d [0,0,0,0,0,0|3,0,1]=4 51 B8R0.9 CC(CS)OCC(=O)O 6f586a0cfc007fa60414bad735acd25c [0,0,0,0,0,0|3,0,1]=4 52 B8R0.9 CCC(C)NCC(=O)O f2952a77ab3e8bd898813643bd6d2028 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.9 CCC(C)OCC(=O)O ba461bfe27072cdbfb8d74924722a4e4 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.9 CCN(C)CCC(=O)O 2d55640deefd272dbf27378182c87c56 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.9 CC[C@@H](C)NCC(=O)O 5c12fd5b6d0cdca7f2b2238c17851dd2 [0,0,0,0,0,0|2,0,2]=4 56 B8R0.9 CC[C@@H](C)OCC(=O)O fcbe44d01b8fa575a40781f8929bf942 [0,0,0,0,0,0|2,0,2]=4 57 B8R0.9 CC[C@H](C)NCC(=O)O d0392c98c4a58fa7920a948e7c8055d4 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.9 CC[C@H](C)OCC(=O)O 8b17e83f890f84f235b698dd6e78f10d [0,0,0,0,0,0|2,0,2]=4 59 B8R0.9 CN(C=O)CCC(=O)N 90047bedb23fa37b5b4136a7076e845e [0,0,0,0,0,0|4,0,0]=4 60 B8R0.9 CN(CF)CCC(=O)O 2d013e31aee2f0b22eda4a0cee146222 [0,0,0,0,0,0|3,0,1]=4 61 B8R0.9 CN(CO)CCC(=O)O a563a8e06bffade26f5d2de4c2323adb [0,0,0,0,0,0|3,0,1]=4 62 B8R0.9 C[C@@H](CO)NCC(=O)O a4ded20e76f16f8cb0ed35de8a1798b1 [0,0,0,0,0,0|3,0,1]=4 63 B8R0.9 C[C@H](C=O)NCC(=O)N ef543a8173a46829d7a3deea97b641bf [0,0,0,0,0,0|4,0,0]=4 64 B8R0.9 C[C@H](C=O)NCC(=O)O da0ba3cdacb20d5b725c1d49bf4457c6 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.9 C[C@H](C=O)OCC(=O)N 0891ae8d42b8c64aeeb2a884817c9c4b [0,0,0,0,0,0|4,0,0]=4 66 B8R0.9 C[C@H](C=O)OCC(=O)O 23da9f85b0c8b6dd61bf484a83ea2877 [0,0,0,0,0,0|3,0,0]=3 67 B8R0.9 C[C@H](C=O)OCS(=O)O 8401cc1464dfb196cf10debf69a3f25d [0,0,0,0,0,0|4,0,0]=4 68 B8R0.9 C[C@H](CO)NCC(=O)O 3604c50bbfd16fc53504ebc03416b43b [0,0,0,0,0,0|3,0,1]=4 69 B8R0.9 C[C@H](CS)OCC(=O)O ec11162dd59d106eaabeedeed690abec [0,0,0,0,0,0|3,0,1]=4 70 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [1,0,0,0,0,0|2,0,0]=3 71 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [1,0,0,0,0,0|2,0,1]=4 72 B7R0.3 C=CC(C)OCC=O cb8ab1e26c946580cb2eacb238eceadb [1,0,0,0,0,0|2,0,0]=3 73 B7R0.3 C=CC(O)CNC=O f2c9977b6c02b5fa6463f931ed217f56 [1,0,0,0,0,0|2,0,0]=3 74 B7R0.3 C=CC(O)CNCO 3d7c6c2844077ac45767c2f09e74a1be [1,0,0,0,0,0|2,0,1]=4 75 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [1,0,0,0,0,0|3,0,0]=4 76 B7R0.3 C=CCOC(C)C=C a1650d51ca3c5bc9bbb4242a057bd09a [1,0,0,0,0,0|3,0,0]=4 77 B7R0.3 C=CCO[C@@H](C)C=C 346d3a0f77fdd9102666716758056241 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.3 C=C[C@H](C)OCC=O 1b1ed3039c6605fda21f2d5059ac888e [1,0,0,0,0,0|2,0,0]=3 79 B7R0.3 CC(C=O)OCC=O 216dc0b62aef64aacebb34095641e5d6 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.4 C#CCNCC(=O)O 343eb4150e1f97e741a1efc40a4c68ea [1,0,0,0,0,0|1,0,2]=4 81 B7R0.4 C#CCOCC(=O)O 3bcfd2fb505271f199367374d77863ed [1,0,0,0,0,0|1,0,2]=4 82 B7R0.4 C=CCCNC(=O)C 479f81177c8b7d1f361bf6380aad1391 [1,0,0,0,0,0|2,0,0]=3 83 B7R0.4 C=CCNCC(=C)Br f343d521e7b4355a1ef62e6ad9e157ca [1,0,0,0,0,0|3,0,0]=4 84 B7R0.4 C=CCNCC(=C)C 41a7db76b72ad250995c42f746d79056 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.4 C=CCNCC(=O)C c379877cdd29970c778896dc66ad00a6 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.4 C=CCNCC(=O)N 4c9ed8797e68589a4063017023a51a00 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.4 C=CCNCC(=O)O 6133d6411223a422a790fc62a49552d6 [1,0,0,0,0,0|1,0,0]=2 88 B7R0.4 C=CCNCC(C)O dde411813044e811a6123a529ae27585 [1,0,0,0,0,0|2,0,1]=4 89 B7R0.4 C=CCNC[C@@H](C)O ec4536a6022457f632f6d265caa69d4d [1,0,0,0,0,0|2,0,1]=4 90 B7R0.4 C=CCNC[C@H](C)O 42afe3d5f35955757d07afc6e0f5adfa [1,0,0,0,0,0|2,0,1]=4 91 B7R0.4 C=CCOCC(=C)Br e62764a0c5e3910f5aa74605955cfa17 [1,0,0,0,0,0|3,0,0]=4 92 B7R0.4 C=CCOCC(=C)C e2abf6a2fe1f9ea589c331127c249266 [1,0,0,0,0,0|3,0,0]=4 93 B7R0.4 C=CCOCC(=C)Cl 9a7af04c1473e057367697315b870403 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.4 C=CCOCC(=C)F 1ddb253cc8cf7e632d103ee542ee3627 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.4 C=CCOCC(=C)I eb0cf4905c380d4757f5c7d2e0fb60fd [1,0,0,0,0,0|3,0,0]=4 96 B7R0.4 C=CCOCC(=O)C 6cc60c3b69d2e2990673da8a49479ff3 [1,0,0,0,0,0|2,0,0]=3 97 B7R0.4 C=CCOCC(=O)N 827d4ca2bb9539e8def9891e687c2849 [1,0,0,0,0,0|2,0,0]=3 98 B7R0.4 C=CCOCC(=O)O 7136a2a50022493c85115a32aa055df0 [1,0,0,0,0,0|1,0,0]=2 99 B7R0.4 C=CCOCC(=S)N ba93fb83f0b460be9ef282d71d1dd1c9 [1,0,0,0,0,0|2,1,0]=4 100 B7R0.4 C=CCOCS(=O)O a1ef4061d59bf78682bff1f70f194383 [1,0,0,0,0,0|2,0,0]=3 101 B7R0.4 CC(=O)CNCC=O 5be6de3ce66e561a4ff39c69208f9195 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.4 CC(=O)COCC=O 465b1cf75d509df2704309fff91522d1 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [1,0,0,0,0,0|1,0,2]=4 104 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [1,0,0,0,0,0|1,0,2]=4 105 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [1,0,0,0,0,0|1,0,2]=4 106 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [1,0,0,0,0,0|1,0,2]=4 107 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [1,0,0,0,0,0|2,0,1]=4 108 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [1,0,0,0,0,0|2,0,1]=4 111 B7R0.4 N#CCNCC(=O)O 809e9a9d58d178eb22e9b3ea8c029b46 [1,0,0,0,0,0|2,0,1]=4 112 B7R0.4 N#CCOCC(=O)O f440efea3522112d8965a680edd84309 [1,0,0,0,0,0|2,0,1]=4 113 B7R0.4 N#CNCCC(=O)O aa8f36504cb81f27d3e027833d30b74a [1,0,0,0,0,0|2,0,1]=4 114 B7R0.4 NC(=O)CCNC=O 050e6ba173611e3f300554dbc19881d0 [1,0,0,0,0,0|3,0,0]=4 115 B7R0.4 NC(=O)CNCC=O 814f24c650e32f1313a12556cffef937 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.4 NC(=O)COCC=O 352ad5d7e552372f66c1eb7b799ac531 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [1,0,0,0,0,0|2,0,1]=4 118 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [1,0,0,0,0,0|2,0,1]=4 119 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [1,0,0,0,0,0|2,0,1]=4 120 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [1,0,0,0,0,0|2,0,1]=4 121 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [1,0,0,0,0,0|2,0,1]=4 122 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [1,0,0,0,0,0|2,0,1]=4 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C=C[C@H](C)O[C@@H](F)C(=O)O bb3d97d17638185127603f96874124ca [0,1,0,0,0,0|2,0,0]=3 215 B9R0.42 C=C[C@H](C)O[C@H](C)C(=O)N b7caf1734c69852f23570f4e6aee01be [0,1,0,0,0,0|3,0,0]=4 216 B9R0.42 C=C[C@H](C)O[C@H](C)C(=O)O 8c5e3d102a805cdd88a206f50f9ef822 [0,1,0,0,0,0|2,0,0]=3 217 B9R0.42 CC(C=O)NC(C)C(=O)O 20a60fbe7856cff95fc76d9ef94f22d5 [0,1,0,0,0,0|3,0,0]=4 218 B9R0.42 CC(C=O)NC(O)C(=O)O db9c7b297edd7c7de73bc597b349df56 [0,1,0,0,0,0|3,0,0]=4 219 B9R0.42 CC(C=O)N[C@@H](C)C(=O)O e3cf235a2693748060acfaea11b79b65 [0,1,0,0,0,0|3,0,0]=4 220 B9R0.42 CC(C=O)N[C@H](C)C(=O)O 4ec6dc5e3aa5c2a3e70c2c676d764736 [0,1,0,0,0,0|3,0,0]=4 221 B9R0.42 CC(C=O)OC(C)C(=O)O 1537e851619ce413e13fe6f204bab7d7 [0,1,0,0,0,0|3,0,0]=4 222 B9R0.42 CC(C=O)OC(F)C(=O)O f994657f138457ec1e0b60d238af711d [0,1,0,0,0,0|3,0,0]=4 223 B9R0.42 CC(C=O)O[C@@H](C)C(=O)O 64b50251102d4c587bc3027a25de4825 [0,1,0,0,0,0|3,0,0]=4 224 B9R0.42 CC(C=O)O[C@@H](F)C(=O)O 86d7cf316632b5c8d374ad2fb73649c7 [0,1,0,0,0,0|3,0,0]=4 225 B9R0.42 CC(C=O)O[C@H](C)C(=O)O 83aac9083bf94631c394c772a6091201 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.42 CC(N[C@H](C)C=O)C(=O)O 073008b09dd4daa46c3eee41b6f5a86b [0,1,0,0,0,0|3,0,0]=4 227 B9R0.42 CC(O[C@H](C)C=O)C(=O)O 812bd5a15fd54855877e7092dda0410f [0,1,0,0,0,0|3,0,0]=4 228 B9R0.42 C[C@H](C=O)NC(O)C(=O)O f9acfd7578d2efc6770d6eca05c7d778 [0,1,0,0,0,0|3,0,0]=4 229 B9R0.42 C[C@H](C=O)N[C@@H](C)C(=O)O 939bc4c7aaa3ec6d4eb0542bf7f8b345 [0,1,0,0,0,0|3,0,0]=4 230 B9R0.42 C[C@H](C=O)N[C@H](C)C(=O)O cc7913b07882750d08c30e7582a0574f [0,1,0,0,0,0|3,0,0]=4 231 B9R0.42 C[C@H](C=O)O[C@@H](C)C(=O)O b6f80b92b47a54815102fbd4899c5250 [0,1,0,0,0,0|3,0,0]=4 232 B9R0.42 C[C@H](C=O)O[C@H](C)C(=O)O 44ced11a0975d80e393790a7eaccae4d [0,1,0,0,0,0|3,0,0]=4 233 B9R0.43 C#CC(C=C)OCC(=O)N 461e848a4b594fc12d12301ab3761943 [0,1,0,0,0,0|3,0,0]=4 234 B9R0.43 C#CC(C=C)OCC(=O)O c45abb6411ea5cd03672a8302ace5fda [0,1,0,0,0,0|2,0,0]=3 235 B9R0.43 C=CC(C=C)OCC(=O)N 8f8e32f5d863222007516476798572c8 [0,1,0,0,0,0|3,0,0]=4 236 B9R0.43 C=CC(C=C)OCC(=O)O 66334ebeef53aa902b4e64fdb64022e5 [0,1,0,0,0,0|2,0,0]=3 237 B9R0.43 C=CC(CC)OCC(=O)N 20a0e0364714fe8ac3370fe7047b3a8e [0,1,0,0,0,0|3,0,0]=4 238 B9R0.43 C=CC(CC)OCC(=O)O b88f2e10a8550602707dec2f9eae7fb5 [0,1,0,0,0,0|2,0,0]=3 239 B9R0.43 C=C[C@@H](CO)NCC(=O)N 0e09d083a248ae0b61121b3edf192a8c [0,1,0,0,0,0|3,0,0]=4 240 B9R0.43 C=C[C@@H](CO)NCC(=O)O 8d053a06a2e2c444b01bd69fddfe73ff [0,1,0,0,0,0|2,0,0]=3 241 B9R0.43 CCC(C=O)NCC(=O)O 2dff37ffe0c09807fcd641801f47306a [0,1,0,0,0,0|3,0,0]=4 242 B9R0.43 CCC(C=O)OCC(=O)O 200ce9180f5aea00044ac6edcf54d531 [0,1,0,0,0,0|3,0,0]=4 243 B9R0.43 N#CC(C=O)NCC(=O)O 483d45e9ac9d5412facd55ad2eded545 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.43 O=CC(C=O)NCC(=O)O d01f51f1800d469392bac1b5f96187bf [0,1,0,0,0,0|3,0,0]=4 245 B9R0.43 O=CC(C=O)OCC(=O)O 365fbabb66bfe74ed8436cc8e7a7ebe2 [0,1,0,0,0,0|3,0,0]=4 246 B9R0.48 C/C=C/C(C)OCC(=O)N 522a488c5e33b435b3f48696e6e4d6df [0,1,0,0,0,0|3,0,0]=4 247 B9R0.48 C/C=C/C(C)OCC(=O)O faebc3261e3a36af1d31713fdea4082c [0,1,0,0,0,0|2,0,0]=3 248 B9R0.48 C=CCC(C)OCC(=O)N 03d8170adf9c978b41b313e040ead01d [0,1,0,0,0,0|3,0,0]=4 249 B9R0.48 C=CCC(C)OCC(=O)O d4c2db20e21f45057095c6dd9b09bcfe [0,1,0,0,0,0|2,0,0]=3 250 B9R0.48 C=CCC(O)CNC(=O)C 044a2180840b1053ceaf99d23733edb1 [0,1,0,0,0,0|3,0,0]=4 251 B9R0.48 C=CCN(C)CCC(=O)C 942bc8a400e1b9da00c1ec7d56004de6 [0,1,0,0,0,0|3,0,0]=4 252 B9R0.48 C=CCN(C)CCC(=O)N 07642a8517d71873da975b6e3cda5e5e [0,1,0,0,0,0|3,0,0]=4 253 B9R0.48 C=CCN(C)CCC(=O)O 85c31c0123bc751a9540d6f16d5ab7f5 [0,1,0,0,0,0|2,0,0]=3 254 B9R0.48 C=CC[C@@H](C)OCC(=O)N b9e6e4dc02620404407ebbb35d51175b [0,1,0,0,0,0|3,0,0]=4 255 B9R0.48 C=CC[C@@H](C)OCC(=O)O e1ec2ca024444d722f0b6bd34535e0cd [0,1,0,0,0,0|2,0,0]=3 256 B9R0.48 C=CC[C@H](C)OCC(=O)N 81442f50a23cd38aaf08376b3d919b30 [0,1,0,0,0,0|3,0,0]=4 257 B9R0.48 C=CC[C@H](C)OCC(=O)O 6ea8726abd2765890e4fcb26b01386e0 [0,1,0,0,0,0|2,0,0]=3 258 B9R0.48 CC(CCC(=O)O)NC#N 013e3f5bce1f84721446768ab72dd503 [0,1,0,0,0,0|2,0,1]=4 259 B9R0.48 CC(CCC(=O)O)NCF a92d39df8a126f0852271a9b340958b4 [0,1,0,0,0,0|2,0,1]=4 260 B9R0.48 CC(CCC(=O)O)OCF 8a850024bcf506861cc56e2f4b203d76 [0,1,0,0,0,0|2,0,1]=4 261 B9R0.48 CC=CC(C)OCC(=O)N ae1198b8e6babc179e832d8a4463dfaa [0,1,0,0,0,0|3,0,0]=4 262 B9R0.48 CC=CC(C)OCC(=O)O 4f9396fcfa89905cdd40c7dc857f21fd [0,1,0,0,0,0|2,0,0]=3 263 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [0,1,0,0,0,0|1,0,2]=4 264 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [0,1,0,0,0,0|1,0,2]=4 265 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [0,1,0,0,0,0|1,0,2]=4 266 B9R0.48 CN(CC=O)CCC(=O)O c2208c5f20eb019e9eb30d465cfc143b [0,1,0,0,0,0|2,0,1]=4 267 B9R0.48 C[C@@H](CCC(=O)O)NCF b06f766ae4850f0433b3999a4509184a [0,1,0,0,0,0|2,0,1]=4 268 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,0,0,0,1,0|3,0,0]=4 269 B9R0.1 C#CC(C)NCCC(=O)O b5fa8c47938cc1ab8b71133a233a8712 [0,0,0,0,0,1|1,0,2]=4 270 B9R0.1 C#CC(C)OCCC(=O)O ca456cda53aab7a3e9ddc1555a141e4b [0,0,0,0,0,1|1,0,2]=4 271 B9R0.1 C#C[C@@H](C)NCCC(=O)O 2c3e5d536ee20bb10e4a276f986c03f0 [0,0,0,0,0,1|1,0,2]=4 272 B9R0.1 C#C[C@@H](C)OCCC(=O)O 5e9b30e37e8c265f10c7585c2f2ca95a [0,0,0,0,0,1|1,0,2]=4 273 B9R0.1 C#C[C@H](C)NCCC(=O)O cc5bdbda6a0b246c6e6e23c2baac79c5 [0,0,0,0,0,1|1,0,2]=4 274 B9R0.1 C#C[C@H](C)OCCC(=O)O 017cc2bf4609698c2e4663c93f9a5f21 [0,0,0,0,0,1|1,0,2]=4 275 B9R0.1 C/C(=C\I)/COCC(=O)O f0d281ce2da52f078eed6df8efd49932 [0,0,0,0,0,1|2,0,1]=4 276 B9R0.1 C=C(C=O)OCCC(=O)O 35d50609715764246002b9771a442b1d [0,0,0,0,0,1|2,0,1]=4 277 B9R0.1 C=CC(=O)NCCC(=O)N 83c75b2183749a44cf27f2d528697bd5 [0,0,0,0,0,1|2,0,1]=4 278 B9R0.1 C=CC(=O)NCCS(=O)O bb70d292fff0aace27797bcb916fcbe0 [0,0,0,0,0,1|2,0,1]=4 279 B9R0.1 C=CC(C)COCC(=C)Br 74d5b435c53b7696eee40574399efba9 [0,0,0,0,0,1|3,0,0]=4 280 B9R0.1 C=CC(C)COCC(=C)C fd37c6e6bc9817ad41232bd087f99b63 [0,0,0,0,0,1|3,0,0]=4 281 B9R0.1 C=CC(C)COCC(=C)Cl 033dbe3ab55681a2d05732b2b5392c82 [0,0,0,0,0,1|3,0,0]=4 282 B9R0.1 C=CC(C)COCC(=C)F fab5251b0bcb8a63c9d66d18b0d14b1e [0,0,0,0,0,1|3,0,0]=4 283 B9R0.1 C=CC(C)COCC(=O)N ae9bc94dd26e7a18053afc948b9436c9 [0,0,0,0,0,1|2,0,0]=3 284 B9R0.1 C=CC(C)COCC(=O)O b37de9a6da072d47f216f61c5cd125d6 [0,0,0,0,0,1|1,0,0]=2 285 B9R0.1 C=CC(C)COC[N+](=O)[O-] 2819822657f69b603c82385fd8b1fe6c [0,0,0,0,0,1|2,0,1]=4 286 B9R0.1 C=CC(C)NCCC(=C)C e34eb487dbf027376636305a7e0652c0 [0,0,0,0,0,1|3,0,0]=4 287 B9R0.1 C=CC(C)NCCC(=O)C 457f6d262ba13d08c71dcb593daa26f2 [0,0,0,0,0,1|2,0,0]=3 288 B9R0.1 C=CC(C)NCCC(=O)N cfbfcca6230e3217dcae6bc69c125632 [0,0,0,0,0,1|2,0,0]=3 289 B9R0.1 C=CC(C)NCCC(=O)O 79ff7d3cdb6746c9598fe1cfb61269b1 [0,0,0,0,0,1|1,0,0]=2 290 B9R0.1 C=CC(C)NCCC(=S)N 5db4132e0a35e9bccb603068979e64d5 [0,0,0,0,0,1|2,1,0]=4 291 B9R0.1 C=CC(C)NCCC(C)O d01f29e8014795af299f102771cf2b60 [0,0,0,0,0,1|2,0,1]=4 292 B9R0.1 C=CC(C)NCCS(=O)C 648faf1faec298b81e2527dc0da8b03e [0,0,0,0,0,1|3,0,0]=4 293 B9R0.1 C=CC(C)NCCS(=O)O 41e77d0b9fb78d37ba8e984ea5643a86 [0,0,0,0,0,1|2,0,0]=3 294 B9R0.1 C=CC(C)NCC[C@@H](C)O 544a1897e226f54a3ec3b9e01803177e [0,0,0,0,0,1|2,0,1]=4 295 B9R0.1 C=CC(C)NCC[C@H](C)O ef01d9050b04a036fcbd14fbcccd41ca [0,0,0,0,0,1|2,0,1]=4 296 B9R0.1 C=CC(C)NCOC(=O)C 4d6207b3ae076cead8859a4d95b41448 [0,0,0,0,0,1|3,0,0]=4 297 B9R0.1 C=CC(C)NCSC(=O)N a094d98200e109a8d02b566f92a1102b [0,0,0,0,0,1|3,0,0]=4 298 B9R0.1 C=CC(C)OCCC(=C)Br 01220d2992b4774f9b7aa76ed915a02c [0,0,0,0,0,1|3,0,0]=4 299 B9R0.1 C=CC(C)OCCC(=C)C 356773487f0af1cd1ecb60e3e552f99c [0,0,0,0,0,1|3,0,0]=4 300 B9R0.1 C=CC(C)OCCC(=O)C dfb65db25ab8c59bf238c7e9df2821b1 [0,0,0,0,0,1|2,0,0]=3 301 B9R0.1 C=CC(C)OCCC(=O)N 2a4682cec24a6b5042cd59f60759f4b9 [0,0,0,0,0,1|2,0,0]=3 302 B9R0.1 C=CC(C)OCCC(=O)O 715e83dec8bd7b5ea255c0588e4ec66b [0,0,0,0,0,1|1,0,0]=2 303 B9R0.1 C=CC(C)OCCS(=O)C 130900add307c22d39558e827aa6b2f0 [0,0,0,0,0,1|3,0,0]=4 304 B9R0.1 C=CC(C)OCC[N+](=O)[O-] 456a709f149b06af27ceb84c09775ac8 [0,0,0,0,0,1|2,0,1]=4 305 B9R0.1 C=CC(C)OCNC(=O)C 5772e3ef268aff8e431eaa0d633e1757 [0,0,0,0,0,1|3,0,0]=4 306 B9R0.1 C=CC(C)OCNC(=O)N ed4424dee73edea2983630cb0ee56b15 [0,0,0,0,0,1|3,0,0]=4 307 B9R0.1 C=CC(C)OCOC(=O)C 938cc98a109b46d467d3128931da93e1 [0,0,0,0,0,1|3,0,0]=4 308 B9R0.1 C=CC(C)OCSC(=O)N ae0f4582d9a9730ef29f0288785701d3 [0,0,0,0,0,1|3,0,0]=4 309 B9R0.1 C=CC(O)CNCC(=C)Br 88ecd68f724b7861a672851486e4d9e8 [0,0,0,0,0,1|3,0,0]=4 310 B9R0.1 C=CC(O)CNCC(=C)C 8ee4971af51517f3e1ca620778a17df0 [0,0,0,0,0,1|3,0,0]=4 311 B9R0.1 C=CC(O)CNCC(=C)Cl 87c79c5407f4bf564cf3e3a8bedbb076 [0,0,0,0,0,1|3,0,0]=4 312 B9R0.1 C=CC(O)CNCC(=C)F cc9d255b2691802b20006ef6c0541d83 [0,0,0,0,0,1|3,0,0]=4 313 B9R0.1 C=CC(O)CNCC(=O)N 7f969e29a164f855c6376cb2e32f2f74 [0,0,0,0,0,1|2,0,0]=3 314 B9R0.1 C=CC(O)CNCC(=O)O d0b59efe1792f320492cea2216816851 [0,0,0,0,0,1|1,0,0]=2 315 B9R0.1 C=CC(O)CNCC(C)O 250a0738f8893561fa0bf4fc306ff879 [0,0,0,0,0,1|2,0,1]=4 316 B9R0.1 C=CC(O)CNC[C@@H](C)O 4d3bcd699d7f87e5cad2ea1a194fcd40 [0,0,0,0,0,1|2,0,1]=4 317 B9R0.1 C=CC(O)CNC[C@H](C)O 265c36358ddc06b7112a1d4489e2ca2a [0,0,0,0,0,1|2,0,1]=4 318 B9R0.1 C=CC(O)CNC[N+](=O)[O-] 8c7890f4b0400f506aab2c000b6d3e21 [0,0,0,0,0,1|2,0,1]=4 319 B9R0.1 C=C[C@H](C)OCCC(=C)C d033b03c7bdcd0d6b093d32ac3e4e26c [0,0,0,0,0,1|3,0,0]=4 320 B9R0.1 C=C[C@H](C)OCCC(=O)C 9bbd1cc0e46dfd5c6e8db01fc1773cb1 [0,0,0,0,0,1|2,0,0]=3 321 B9R0.1 C=C[C@H](C)OCCC(=O)N a469ad7a9ee6069799852369b28bf27c [0,0,0,0,0,1|2,0,0]=3 322 B9R0.1 C=C[C@H](C)OCCC(=O)O 713b61bf87b3acb53853822b10178bd4 [0,0,0,0,0,1|1,0,0]=2 323 B9R0.1 C=C[C@H](C)OCCS(=O)C c6de0752999e1a8f3bd31407e83b38b1 [0,0,0,0,0,1|3,0,0]=4 324 B9R0.1 C=C[C@H](C)OCOC(=O)C 90fe83e3e6135b7a27365aca1ab6d38f [0,0,0,0,0,1|3,0,0]=4 325 B9R0.1 C=C[C@H](C)OCSC(=O)N 2c2c835799763195c65170a287accc47 [0,0,0,0,0,1|3,0,0]=4 326 B9R0.1 CC(=CI)COCC(=O)O d7f29fd9312a0373f092e69ba8eaa817 [0,0,0,0,0,1|2,0,1]=4 327 B9R0.1 CC(=O)CCOC(C)C=O cb160a994c939e385607c4106d0006ba [0,0,0,0,0,1|3,0,0]=4 328 B9R0.1 CC(=O)CCO[C@H](C)C=O 0cefdf85f806832833faf787e48b718b [0,0,0,0,0,1|3,0,0]=4 329 B9R0.1 CC(C#N)CNCC(=O)O 690b9c42e94c9bde7fbf2cdbf8d4eca2 [0,0,0,0,0,1|2,0,1]=4 330 B9R0.1 CC(C#N)COCC(=O)O 5e1e962d1c3a873fc728b08a62a84674 [0,0,0,0,0,1|2,0,1]=4 331 B9R0.1 CC(C#N)NCCC(=O)O a71e77ce50f1b855f7d576c5d6f6289e [0,0,0,0,0,1|2,0,1]=4 332 B9R0.1 CC(C=O)NCCC(=O)N 0a497b65732dd54e85210165ecae12a6 [0,0,0,0,0,1|3,0,0]=4 333 B9R0.1 CC(C=O)NCCC(=O)O c047f24fc3d15f3badbf76260054cc9f [0,0,0,0,0,1|2,0,0]=3 334 B9R0.1 CC(C=O)NCCS(=O)O 6315fcac9ac91eb3ba34381bd1615fc2 [0,0,0,0,0,1|3,0,0]=4 335 B9R0.1 CC(C=O)OCCC(=O)N 723758d0da03869338ad7f140180561f [0,0,0,0,0,1|3,0,0]=4 336 B9R0.1 CC(C=O)OCCC(=O)O 056bb2d7d93cc893e2815e75c928f63b [0,0,0,0,0,1|2,0,0]=3 337 B9R0.1 CC(CF)OCCC(=O)O e6767e000962bf0da8753ce7298bf1cf [0,0,0,0,0,1|2,0,1]=4 338 B9R0.1 CC(CO)CNCC(=O)O 545002bd59f1a831ceb97793e95beb08 [0,0,0,0,0,1|2,0,1]=4 339 B9R0.1 CC(CO)NCCC(=O)O 7af196631507732ccee08e53dff47c19 [0,0,0,0,0,1|2,0,1]=4 340 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [0,0,0,0,0,1|1,0,2]=4 341 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [0,0,0,0,0,1|1,0,2]=4 342 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [0,0,0,0,0,1|1,0,2]=4 343 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [0,0,0,0,0,1|1,0,2]=4 344 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [0,0,0,0,0,1|1,0,2]=4 345 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [0,0,0,0,0,1|1,0,2]=4 346 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [0,0,0,0,0,1|1,0,2]=4 347 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [0,0,0,0,0,1|1,0,2]=4 348 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [0,0,0,0,0,1|1,0,2]=4 349 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [0,0,0,0,0,1|1,0,2]=4 350 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [0,0,0,0,0,1|1,0,2]=4 351 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [0,0,0,0,0,1|1,0,2]=4 352 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [0,0,0,0,0,1|1,0,2]=4 353 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [0,0,0,0,0,1|1,0,2]=4 354 B9R0.1 COC(C)CNCC(=O)O dbf8e5faee7152132e5d4bb3bd4e4843 [0,0,0,0,0,1|2,0,1]=4 355 B9R0.1 COC(C)COCC(=O)O 80e727ea49a776af207e2b913ddb7306 [0,0,0,0,0,1|2,0,1]=4 356 B9R0.1 CO[C@@H](C)CNCC(=O)O 65dd78747dc8a0d82266cff86cc9f8ee [0,0,0,0,0,1|2,0,1]=4 357 B9R0.1 CO[C@@H](C)COCC(=O)O a1f6e6081969a90d511bdcf1d36c7fb3 [0,0,0,0,0,1|2,0,1]=4 358 B9R0.1 CO[C@H](C)CNCC(=O)O 84e5827c180a6cfe438de358774cfb15 [0,0,0,0,0,1|2,0,1]=4 359 B9R0.1 CO[C@H](C)COCC(=O)O 1bc7d85404b0152996a2e6730e1ced0b [0,0,0,0,0,1|2,0,1]=4 360 B9R0.1 C[C@@H](CO)CNCC(=O)O f57e9d31ced751b25fdd665565e647c4 [0,0,0,0,0,1|2,0,1]=4 361 B9R0.1 C[C@@H](CO)NCCC(=O)O b5ac644d36a232bdd1950d74e0718263 [0,0,0,0,0,1|2,0,1]=4 362 B9R0.1 C[C@H](C=O)NCCC(=O)N 57a3c92d9100fb4c15bb11d07cab3b3b [0,0,0,0,0,1|3,0,0]=4 363 B9R0.1 C[C@H](C=O)NCCC(=O)O 568b307ebcb4ab5b4df113dd91c9a6dc [0,0,0,0,0,1|2,0,0]=3 364 B9R0.1 C[C@H](C=O)NCCS(=O)O 16c57c2a89c360c6e6357bad716217cd [0,0,0,0,0,1|3,0,0]=4 365 B9R0.1 C[C@H](C=O)OCCC(=O)N 6c390f4a6745397018a94d322ce456f3 [0,0,0,0,0,1|3,0,0]=4 366 B9R0.1 C[C@H](C=O)OCCC(=O)O 6123759046df411af3794a1ca6644131 [0,0,0,0,0,1|2,0,0]=3 367 B9R0.1 C[C@H](CO)CNCC(=O)O ce3fe074090d41b3d881458baf420cde [0,0,0,0,0,1|2,0,1]=4 368 B9R0.1 C[C@H](CO)NCCC(=O)O a31ff9e016b023eff4f0af52b348f8ec [0,0,0,0,0,1|2,0,1]=4 369 B9R0.1 O=C(O)CNC/C(=C/Cl)/Cl 2351f3c7e5b766eef8a4406262d2cb31 [0,0,0,0,0,1|2,0,1]=4 370 B9R0.1 O=C(O)CNCC(Br)CBr ef99ec62c4dafd35d1f7c73687c4dec8 [0,0,0,0,0,1|2,0,1]=4 371 B9R0.1 O=C(O)CNCC(F)CO 85480065cb6f22ce4951c43a5529025b [0,0,0,0,0,1|2,0,1]=4 372 B9R0.1 O=C(O)CNCC(O)CF 7fd10536ea2bd1a0c281f0149c46efaf [0,0,0,0,0,1|2,0,1]=4 373 B9R0.1 O=C(O)CNCC(O)CO 5f4a685d53a0215015208fab45cb0871 [0,0,0,0,0,1|2,0,1]=4 374 B9R0.1 O=C(O)CNC[C@@H](F)CO b256d92caab1484241eb0944f0d426c8 [0,0,0,0,0,1|2,0,1]=4 375 B9R0.1 O=C(O)CNC[C@@H](O)CO 2e94e974e33de52da795c25edb2b7b46 [0,0,0,0,0,1|2,0,1]=4 376 B9R0.1 O=C(O)CNC[C@H](F)CO 88b9d73cd1b06b779c0e456bbf2e093b [0,0,0,0,0,1|2,0,1]=4 377 B9R0.1 O=C(O)CNC[C@H](O)CO 54e6a925352e55eb05de7ec2030c642a [0,0,0,0,0,1|2,0,1]=4 378 B9R0.1 O=C(O)COC/C(=C/Cl)/Cl 592ff631fc62ccda44da5761ef06dd70 [0,0,0,0,0,1|2,0,1]=4 379 B9R0.1 O=C(O)COCC(Br)CBr c9888022ccc9e04c0d413c09e25a4398 [0,0,0,0,0,1|2,0,1]=4 380 B9R0.1 O=C(O)COCC(Cl)CCl 994d616ba6176a710bbd4f21d078567d [0,0,0,0,0,1|2,0,1]=4 381 B9R0.1 O=C(O)COCC(O)CO 250d3f6a92b33993adc8c4afdc32ab2a [0,0,0,0,0,1|2,0,1]=4 382 B9R0.1 O=C(O)COCC(S)CS b6b6009a9d63c8f64670de6b0713a6af [0,0,0,0,0,1|2,0,1]=4 383 B9R0.1 O=C(O)COC[C@@H](O)CO 60e0a11559d7478c0b36eb2f406dfa86 [0,0,0,0,0,1|2,0,1]=4 384 B9R0.1 O=C(O)COC[C@H](O)CO 846143e05728715a8a55aff47672ac25 [0,0,0,0,0,1|2,0,1]=4 385 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [2,0,0,0,0,0|2,0,0]=4 386 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [2,0,0,0,0,0|2,0,0]=4 387 B6R0.4 CCNCC(=O)O 4ff54ca579c6d0dc364629f4b9806db8 [2,0,0,0,0,0|1,0,1]=4 388 B6R0.4 CCOCC(=O)O ebe16b0612391447f19756491b2bd7a3 [2,0,0,0,0,0|1,0,1]=4 389 B6R0.4 O=C(O)CNCF d8e91f69db1ad3140a3502718cd0d10f [2,0,0,0,0,0|2,0,0]=4 390 B6R0.4 O=C(O)CNCO 03950869097643d435459ad5a0985e95 [2,0,0,0,0,0|2,0,0]=4 391 B6R0.4 O=C(O)COCF 7c32fa44d83e7ce6c73842137b12fe20 [2,0,0,0,0,0|2,0,0]=4 392 B6R0.6 C=CCCNC=O a6a3667816b08fca4eaa9dc35c7e2849 [2,0,0,0,0,0|1,0,0]=3 393 B6R0.6 C=CCCNCO 0a9cf06e380bbffa5545f8e95188ea7b [2,0,0,0,0,0|1,0,1]=4 394 B6R0.6 C=CCNCCO 2a8b233616661c16d194120eeaddce5b [2,0,0,0,0,0|1,0,1]=4 395 B8R0.1 C/C=C/C(C)OCC=O 3c462d15fec3dcb51b9371f8065dab9e [1,1,0,0,0,0|2,0,0]=4 396 B8R0.1 C=CCC(C)OCC=O 805d006448d647b16a227c84124f8a54 [1,1,0,0,0,0|2,0,0]=4 397 B8R0.1 C=CCC(O)CNC=O bd60316b28a4da54cc901c5bd26e442c [1,1,0,0,0,0|2,0,0]=4 398 B8R0.1 C=CCN(C)CCC=O 342d88422510b840605a3009ff48b522 [1,1,0,0,0,0|2,0,0]=4 399 B8R0.1 C=CC[C@@H](C)OCC=O a0e388fab32588efe0b0ae569bdc0661 [1,1,0,0,0,0|2,0,0]=4 400 B8R0.1 C=CC[C@H](C)OCC=O b16f0951e117256fa250913579de0fe1 [1,1,0,0,0,0|2,0,0]=4 401 B8R0.1 CC=CC(C)OCC=O afa81202fb8927469e80733dc589551c [1,1,0,0,0,0|2,0,0]=4 402 B8R0.6 C=CC(C)COCC=O 6e7f92fb51e32c59e36957f0b0308468 [1,1,0,0,0,0|1,0,0]=3 403 B8R0.6 C=CC(C)NC/C=C\O ac72ebe204bc13007c3e96446f0fbe89 [1,1,0,0,0,0|1,0,1]=4 404 B8R0.6 C=CC(C)NCCC=O 34ccac889a8fddd78b8149315d5fbb67 [1,1,0,0,0,0|1,0,0]=3 405 B8R0.6 C=CC(C)NCCCO 2d9cfab7f333bcb59c9f88b477754a7a [1,1,0,0,0,0|1,0,1]=4 406 B8R0.6 C=CC(C)OCCC=O c2fb39e17e89251aad102f8067a79d7c [1,1,0,0,0,0|1,0,0]=3 407 B8R0.6 C=CC(O)CNCC=O eea2ac5deb572c6334fda4b1caa7fa47 [1,1,0,0,0,0|1,0,0]=3 408 B8R0.6 C=CC(O)CNCCO 7f00d2ff0d27f8b814277143a2bc18f9 [1,1,0,0,0,0|1,0,1]=4 409 B8R0.6 C=CCCNC(C)C=C 179131ef32d265cc53bf24485b5dc8f2 [1,1,0,0,0,0|2,0,0]=4 410 B8R0.6 C=CCCOC(C)C=C 91a0dff969d2c8970d5b63def8a13bb6 [1,1,0,0,0,0|2,0,0]=4 411 B8R0.6 C=CCCO[C@@H](C)C=C 56271c33fd2bf9c171b07a61fece43cc [1,1,0,0,0,0|2,0,0]=4 412 B8R0.6 C=CCNCC(O)C=C 75dc427957c2a57c3f167770f9ed3467 [1,1,0,0,0,0|2,0,0]=4 413 B8R0.6 C=CCOCC(C)C=C 5db5d2f554c677cc7c48ba3eef3d0aaa [1,1,0,0,0,0|2,0,0]=4 414 B8R0.6 C=C[C@H](C)OCCC=O d2528d5f8182afb1ad2ed844bb3b4d34 [1,1,0,0,0,0|1,0,0]=3 415 B8R0.6 CC(C=O)OCCC=O 33ed4daad58f2a66394ebc2ecb1ab8c7 [1,1,0,0,0,0|2,0,0]=4 416 B8R0.6 C[C@H](C=O)OCCC=O 87e4ed47a9b86d975af2139f6b104017 [1,1,0,0,0,0|2,0,0]=4 417 B8R0.11 C#CC(C=C)OCC=O d40dc121c941d88383bc880d224afaf7 [1,1,0,0,0,0|2,0,0]=4 418 B8R0.11 C=CC(C=C)OCC=O 6d14954a183dbc9388f9efe2552d9f30 [1,1,0,0,0,0|2,0,0]=4 419 B8R0.11 C=CC(CC)OCC=O bcc08209503a879d155ff76cac2817f1 [1,1,0,0,0,0|2,0,0]=4 420 B8R0.11 C=C[C@@H](CO)NCC=O 96c62156ed48d64dc2a89031f5b19033 [1,1,0,0,0,0|2,0,0]=4 421 B8R0.19 C=CC(C)NC(C)C=O d8f597c784a2041960a60a9dc346cd97 [1,1,0,0,0,0|2,0,0]=4 422 B8R0.19 C=CC(C)N[C@H](C)C=O adfed9aa775ef8e8e064edcb3c13e273 [1,1,0,0,0,0|2,0,0]=4 423 B8R0.19 C=CC(C)OC(C)C=O a14f8a144662325980f92a7e34f44b0b [1,1,0,0,0,0|2,0,0]=4 424 B8R0.19 C=CC(C)O[C@H](C)C=O e975c1c193e8cf59eee0e378968c8133 [1,1,0,0,0,0|2,0,0]=4 425 B8R0.19 C=C[C@H](C)OC(C)C=O a02b9a9621b22abf0486857e14467d72 [1,1,0,0,0,0|2,0,0]=4 426 B8R0.19 C=C[C@H](C)O[C@H](C)C=O 2397bf9740e727b553b1618d19461d4c [1,1,0,0,0,0|2,0,0]=4 427 B8R0.5 C=CCN(C)CC(=O)N f61b92d5e26da491a049c9d34b9e2e8e [1,1,0,0,0,0|2,0,0]=4 428 B8R0.5 C=CCN(C)CC(=O)O 7ee8ca05079b6f72d0f00781a2b17cdf [1,1,0,0,0,0|1,0,0]=3 429 B8R0.5 CN(CC=O)CC(=O)O 4f16c2423e66def517d0d42510089596 [1,1,0,0,0,0|2,0,0]=4 430 B8R0.7 C#CCCNCC(=O)O a62cfb736e7f82a3494237514cacf08e [1,1,0,0,0,0|0,0,2]=4 431 B8R0.7 C#CCCOCC(=O)O 7b766f5b88fb0ecd599c5abf9efbeabf [1,1,0,0,0,0|0,0,2]=4 432 B8R0.7 C#CCNCCC(=O)O 6efd5e85084acab9c542105691239e32 [1,1,0,0,0,0|0,0,2]=4 433 B8R0.7 C#CCOCCC(=O)O 4db8817d78a49abe243c505f5b6fbd25 [1,1,0,0,0,0|0,0,2]=4 434 B8R0.7 C/C=C/CNCC(=O)C d08365ea544d9b1f5f738627bd1655a4 [1,1,0,0,0,0|2,0,0]=4 435 B8R0.7 C/C=C/CNCC(=O)N 35bccb5c6f26f8bea4b235e26562bb8f [1,1,0,0,0,0|2,0,0]=4 436 B8R0.7 C/C=C/CNCC(=O)O c42f2b1a73316da9e67d3841e3bba390 [1,1,0,0,0,0|1,0,0]=3 437 B8R0.7 C/C=C/COCC(=O)C 8704cfa8ea1b508d264e8fc5e5c29d85 [1,1,0,0,0,0|2,0,0]=4 438 B8R0.7 C/C=C/COCC(=O)N 5a789f9788fb0b39c2772356abc11d01 [1,1,0,0,0,0|2,0,0]=4 439 B8R0.7 C/C=C/COCC(=O)O 226b10d27bfff6e38810e52e502a3510 [1,1,0,0,0,0|1,0,0]=3 440 B8R0.7 C/C=C/COCS(=O)O 8f948a2ea386382c9b970dc6d7543956 [1,1,0,0,0,0|2,0,0]=4 441 B8R0.7 C/C=C\CNCC(=O)C 6a6c9d418c0891c2fa3bf4c597c04764 [1,1,0,0,0,0|2,0,0]=4 442 B8R0.7 C/C=C\CNCC(=O)N 986aed96850afbf455a00521096423c9 [1,1,0,0,0,0|2,0,0]=4 443 B8R0.7 C/C=C\CNCC(=O)O f297a0a2509c5e78c48c40fb1dbd770d [1,1,0,0,0,0|1,0,0]=3 444 B8R0.7 C/C=C\COCC(=O)C 2779d7a42d72df0b04bf874f0b76bd29 [1,1,0,0,0,0|2,0,0]=4 445 B8R0.7 C/C=C\COCC(=O)N 946717a3036575b064e54b5e93162f10 [1,1,0,0,0,0|2,0,0]=4 446 B8R0.7 C/C=C\COCC(=O)O e58cd13c0ed7a7febac3a76fdbabc6bc [1,1,0,0,0,0|1,0,0]=3 447 B8R0.7 C/C=C\COCS(=O)O 4b2a40c27272c651830af668304424f7 [1,1,0,0,0,0|2,0,0]=4 448 B8R0.7 C=CCCCNC(=O)C a96a5f1b6b5650813d22e03237823400 [1,1,0,0,0,0|1,0,0]=3 449 B8R0.7 C=CCCNCC(=C)Br df13fd07a9c6a85363db193d53457e36 [1,1,0,0,0,0|2,0,0]=4 450 B8R0.7 C=CCCNCC(=C)C 76302fd2591a41232d3b319ec3096bcf [1,1,0,0,0,0|2,0,0]=4 451 B8R0.7 C=CCCNCC(=C)Cl f6c17e12834d459c72f8092ec10e99ab [1,1,0,0,0,0|2,0,0]=4 452 B8R0.7 C=CCCNCC(=C)F ed70db59233e59b9a384a08b2cdbbb8d [1,1,0,0,0,0|2,0,0]=4 453 B8R0.7 C=CCCNCC(=O)C bcd99b30d0ece034ae8651490e56c6a5 [1,1,0,0,0,0|1,0,0]=3 454 B8R0.7 C=CCCNCC(=O)N 1e9728afee7c9095106ef553572029e3 [1,1,0,0,0,0|1,0,0]=3 455 B8R0.7 C=CCCNCC(=O)O 76a631439fa66be5cf3013ae0e834c6c [1,1,0,0,0,0|0,0,0]=2 456 B8R0.7 C=CCCNCC(C)O 4e6571e99dcee760d886b22b570b5c1d [1,1,0,0,0,0|1,0,1]=4 457 B8R0.7 C=CCCNC[C@@H](C)O 3bfe2cc9bba1b6e9c950926ca5be5329 [1,1,0,0,0,0|1,0,1]=4 458 B8R0.7 C=CCCNC[C@H](C)O a4471c07315e747de28477afc10e9fee [1,1,0,0,0,0|1,0,1]=4 459 B8R0.7 C=CCCNC[N+](=O)[O-] de84ae341ace18e427c8bb6277507133 [1,1,0,0,0,0|1,0,1]=4 460 B8R0.7 C=CCCOCC(=C)Br c44a55a4328a1ac8c47e3bc621ce92dd [1,1,0,0,0,0|2,0,0]=4 461 B8R0.7 C=CCCOCC(=C)C c7b7da80aa0d19abe69656ec6426f493 [1,1,0,0,0,0|2,0,0]=4 462 B8R0.7 C=CCCOCC(=C)Cl 1ecab60dd4c49c87bcba6074b5a83666 [1,1,0,0,0,0|2,0,0]=4 463 B8R0.7 C=CCCOCC(=C)F 992c6c5afa86ede1d232bd4a800e806d [1,1,0,0,0,0|2,0,0]=4 464 B8R0.7 C=CCCOCC(=C)I b0d09e2866c972fe7ed5d5e722db9487 [1,1,0,0,0,0|2,0,0]=4 465 B8R0.7 C=CCCOCC(=O)C 797d503837e4e202e9cb8254fa6d250d [1,1,0,0,0,0|1,0,0]=3 466 B8R0.7 C=CCCOCC(=O)N a0132ffbe9a7c321f35b6b60f1c77d37 [1,1,0,0,0,0|1,0,0]=3 467 B8R0.7 C=CCCOCC(=O)O 0512617a8ef9955ac95bbc007cf463ba [1,1,0,0,0,0|0,0,0]=2 468 B8R0.7 C=CCCOCC(=S)N 146693daf97f85e0c4cd1dc552035e17 [1,1,0,0,0,0|1,1,0]=4 469 B8R0.7 C=CCCOCS(=O)O 5d59a515ca3d25853f48deb4680da2af [1,1,0,0,0,0|1,0,0]=3 470 B8R0.7 C=CCCOC[N+](=O)[O-] bf82524d266ddf772cf014c3e0255da5 [1,1,0,0,0,0|1,0,1]=4 471 B8R0.7 C=CCNCCC(=C)C e1ece5aaf51742689634160a6473c00c [1,1,0,0,0,0|2,0,0]=4 472 B8R0.7 C=CCNCCC(=O)N c4e22c4e97d549ee7501dda7440906e2 [1,1,0,0,0,0|1,0,0]=3 473 B8R0.7 C=CCNCCC(=O)O 4a5debfd45f8c7320860717744993f2a [1,1,0,0,0,0|0,0,0]=2 474 B8R0.7 C=CCNCCC(=S)N 96633c4e61869f0c77b5cb8536c5b906 [1,1,0,0,0,0|1,1,0]=4 475 B8R0.7 C=CCNCCC(C)O 1fed6d4363741bd7ad41e738315a760d [1,1,0,0,0,0|1,0,1]=4 476 B8R0.7 C=CCNCCS(=O)C e6c8e6fbeb45e19f52070af4b457befa [1,1,0,0,0,0|2,0,0]=4 477 B8R0.7 C=CCNCCS(=O)O 9269ef3a997b531d0228a411ad4b56e1 [1,1,0,0,0,0|1,0,0]=3 478 B8R0.7 C=CCNCC[C@@H](C)O eb18158b4edf95e8d76cbe758b4cff9f [1,1,0,0,0,0|1,0,1]=4 479 B8R0.7 C=CCNCC[C@H](C)O 4473edaccfa79377adf605e73cbba0bd [1,1,0,0,0,0|1,0,1]=4 480 B8R0.7 C=CCOCCC(=C)Br 68770ee60d2da5b075f0cf42b1e99667 [1,1,0,0,0,0|2,0,0]=4 481 B8R0.7 C=CCOCCC(=C)C 7e1709490e00f3635bad6c701b48ead8 [1,1,0,0,0,0|2,0,0]=4 482 B8R0.7 C=CCOCCC(=O)C 329a78e4caec96ed4eabde1e54085f6f [1,1,0,0,0,0|1,0,0]=3 483 B8R0.7 C=CCOCCC(=O)N c683f70750e78c699bdb2e05fabddbb6 [1,1,0,0,0,0|1,0,0]=3 484 B8R0.7 C=CCOCCC(=O)O 9ce82e4dfa256c2803f66fd7129065f2 [1,1,0,0,0,0|0,0,0]=2 485 B8R0.7 C=CCOCCS(=O)C 080f8a20cdcacfdf3cf78abb0a4ef050 [1,1,0,0,0,0|2,0,0]=4 486 B8R0.7 C=CCOCC[N+](=O)[O-] f191e75c23486621274afd50359069af [1,1,0,0,0,0|1,0,1]=4 487 B8R0.7 C=CCOCNC(=O)C 9865141036101ac320553ca04e5ea416 [1,1,0,0,0,0|2,0,0]=4 488 B8R0.7 C=CCOCNC(=O)N 194ed715ce4639d60c4d3113aa712dce [1,1,0,0,0,0|2,0,0]=4 489 B8R0.7 C=COCCNC(=O)C d3122f3ee5d15f554ff520f72b049913 [1,1,0,0,0,0|2,0,0]=4 490 B8R0.7 CC(=O)CCOCC=O 7d9485ec83093875068f9e670696c657 [1,1,0,0,0,0|2,0,0]=4 491 B8R0.7 CC(=O)CNC/C=C/Cl 13a982d0bf036de3de1c23fe451d2731 [1,1,0,0,0,0|2,0,0]=4 492 B8R0.7 CC(=O)CNC/C=C\Cl 6486c7e47bd03153148fdbc79f40f662 [1,1,0,0,0,0|2,0,0]=4 493 B8R0.7 CC(=O)CNC/C=C\O 19a7672d1a67f2a1a9815025c4514fdd [1,1,0,0,0,0|2,0,0]=4 494 B8R0.7 CC(=O)CNCCC=O 9828f01b09fdb5fac4564520c95c63a6 [1,1,0,0,0,0|2,0,0]=4 495 B8R0.7 CC(=O)COC/C=C/Cl f28a84584009e5c8efc1107a62fa8ba7 [1,1,0,0,0,0|2,0,0]=4 496 B8R0.7 CC(=O)COC/C=C\Cl 66fd27dbc2c5b7652d1a6492573d5a55 [1,1,0,0,0,0|2,0,0]=4 497 B8R0.7 CC(=O)COCCC=O 67fac1685908ac3ed2e3421f7c02f4dc [1,1,0,0,0,0|2,0,0]=4 498 B8R0.7 CC=CCNCC(=O)N 7efd7732ed8821f9c7210004bad86f98 [1,1,0,0,0,0|2,0,0]=4 499 B8R0.7 CC=CCNCC(=O)O ca4b4f47c78da4f7c20abbf90afdb294 [1,1,0,0,0,0|1,0,0]=3 500 B8R0.7 CC=CCOCC(=O)N 88e8dd09adb68044e374d93bc6b3c79e [1,1,0,0,0,0|2,0,0]=4 501 B8R0.7 CC=CCOCC(=O)O c8d8ca65cbc2c5e4d49fda8c8e6e7f5b [1,1,0,0,0,0|1,0,0]=3 502 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [1,1,0,0,0,0|0,0,2]=4 503 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [1,1,0,0,0,0|0,0,2]=4 504 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [1,1,0,0,0,0|0,0,2]=4 505 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [1,1,0,0,0,0|0,0,2]=4 506 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [1,1,0,0,0,0|0,0,2]=4 507 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [1,1,0,0,0,0|1,0,1]=4 508 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [1,1,0,0,0,0|1,0,1]=4 509 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [1,1,0,0,0,0|1,0,1]=4 510 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [1,1,0,0,0,0|1,0,1]=4 511 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [1,1,0,0,0,0|1,0,1]=4 512 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [1,1,0,0,0,0|1,0,1]=4 513 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [1,1,0,0,0,0|1,0,1]=4 514 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [1,1,0,0,0,0|1,0,1]=4 515 B8R0.7 N#CCCNCC(=O)O 7bfcf1dd2660ba45e086fc214d0fdf1b [1,1,0,0,0,0|1,0,1]=4 516 B8R0.7 N#CCCOCC(=O)O 913a62d3473039da7a70e24bab5e1d23 [1,1,0,0,0,0|1,0,1]=4 517 B8R0.7 N#CCNCCC(=O)O 26556793ee589201382d4a045c687d03 [1,1,0,0,0,0|1,0,1]=4 518 B8R0.7 N#CCOCCC(=O)O 5682b245006f80100a85fc7fd38aef94 [1,1,0,0,0,0|1,0,1]=4 519 B8R0.7 NC(=O)CCCNC=O 5a008bd91d929501df5e65e014bf8d35 [1,1,0,0,0,0|2,0,0]=4 520 B8R0.7 NC(=O)CCNCC=O bc87ead88c5b068b2b991d595ef66ed6 [1,1,0,0,0,0|2,0,0]=4 521 B8R0.7 NC(=O)CCOCC=O 0f8544d00ceae7ccf81f543e5c4d2807 [1,1,0,0,0,0|2,0,0]=4 522 B8R0.7 NC(=O)CNC/C=C/Cl d64456a1dc524a4108991ab2b1f6a0e9 [1,1,0,0,0,0|2,0,0]=4 523 B8R0.7 NC(=O)CNC/C=C\Cl 43a72405fc4b1e700b9fc2ea4fc28e60 [1,1,0,0,0,0|2,0,0]=4 524 B8R0.7 NC(=O)CNC/C=C\O e4d628ff167eca7ca4f04da4f3d7d9bb [1,1,0,0,0,0|2,0,0]=4 525 B8R0.7 NC(=O)CNCCC=O 388d425389a4b244bea589395eabcddd [1,1,0,0,0,0|2,0,0]=4 526 B8R0.7 NC(=O)COC/C=C/Cl a38c4cc3f95349eea55a2aede41ce855 [1,1,0,0,0,0|2,0,0]=4 527 B8R0.7 NC(=O)COC/C=C\Cl dde2cdeab35eafc76efecad3bbf1bfc0 [1,1,0,0,0,0|2,0,0]=4 528 B8R0.7 NC(=O)COCC=CCl bf747617b6d8b17427424c6a07ff8c31 [1,1,0,0,0,0|2,0,0]=4 529 B8R0.7 NC(=O)COCCC=O a002e12bccccfe874b23b19106d1c078 [1,1,0,0,0,0|2,0,0]=4 530 B8R0.7 NOCCNCC(=O)O 567becea339978b1d5a450bf35e41e83 [1,1,0,0,0,0|2,0,0]=4 531 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [1,1,0,0,0,0|1,0,1]=4 532 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [1,1,0,0,0,0|1,0,1]=4 533 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [1,1,0,0,0,0|1,0,1]=4 534 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [1,1,0,0,0,0|1,0,1]=4 535 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [1,1,0,0,0,0|1,0,1]=4 536 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [1,1,0,0,0,0|1,0,1]=4 537 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [1,1,0,0,0,0|1,0,1]=4 538 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [1,1,0,0,0,0|1,0,1]=4 539 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [1,1,0,0,0,0|1,0,1]=4 540 B8R0.7 O=C(O)CNC/C=C/Cl a02c0fde949bfab42ff175ce598a29df [1,1,0,0,0,0|1,0,0]=3 541 B8R0.7 O=C(O)CNC/C=C\Cl daa8db9a6890a10062e4294c482e15c4 [1,1,0,0,0,0|1,0,0]=3 542 B8R0.7 O=C(O)CNC/C=C\O fcaf4aee7217c0e4fd5dd5a9fcf238f8 [1,1,0,0,0,0|1,0,0]=3 543 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [1,1,0,0,0,0|1,0,1]=4 544 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [1,1,0,0,0,0|1,0,1]=4 545 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [1,1,0,0,0,0|1,0,1]=4 546 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [1,1,0,0,0,0|1,0,1]=4 547 B8R0.7 O=C(O)COC/C=C/Cl c3f3f7ffc75efe73a4f3269177d5d6f7 [1,1,0,0,0,0|1,0,0]=3 548 B8R0.7 O=C(O)COC/C=C\Cl 606e0e0eece79d7db405143c5a9c7049 [1,1,0,0,0,0|1,0,0]=3 549 B8R0.7 O=C(O)COCC=CCl 0752457ce4c981dbe25441df90db13c7 [1,1,0,0,0,0|1,0,0]=3 550 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [1,1,0,0,0,0|1,0,1]=4 551 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [1,1,0,0,0,0|1,0,1]=4 552 B8R0.7 O=CCCNCC(=O)O bf4ced9bc1bbfa03663a8c8af093471d [1,1,0,0,0,0|1,0,0]=3 553 B8R0.7 O=CCCOCC(=O)O ef6505414c853b0dfbd12bbe62edb448 [1,1,0,0,0,0|1,0,0]=3 554 B8R0.7 O=CCCOCS(=O)O 3a0ab0c4f21b2feafdd9aaf59c492e10 [1,1,0,0,0,0|2,0,0]=4 555 B8R0.7 O=CCNCCC(=O)O 2746d5d7d8507565af45509ba7bc6f1c [1,1,0,0,0,0|1,0,0]=3 556 B8R0.7 O=CCNCCS(=O)O 104aeeba492ec25284f66848d37f717a [1,1,0,0,0,0|2,0,0]=4 557 B8R0.7 O=CCOCCC(=O)O de14f86217b2e4a0f4d6c6c831b08e2c [1,1,0,0,0,0|1,0,0]=3 558 B8R0.7 O=S(O)COC/C=C/Cl befd934e5dbe08ec26c9558049579d8f [1,1,0,0,0,0|2,0,0]=4 559 B8R0.7 O=S(O)COC/C=C\Cl 78fed00c66cc83b15761f8940f3c331c [1,1,0,0,0,0|2,0,0]=4 560 B8R0.21 C=CCNCS(=O)(=O)O 1d80bdec893a883ebe46275c67e5a7a8 [1,1,0,0,0,0|2,0,0]=4 561 B8R0.28 C=C(Br)CNCC(=O)C 0d597f53ebe2890dfc6a0457f76a5fcb [1,1,0,0,0,0|2,0,0]=4 562 B8R0.28 C=C(Br)CNCC(=O)N 613c6d4ab12104eca99727e63596bccd [1,1,0,0,0,0|2,0,0]=4 563 B8R0.28 C=C(Br)CNCC(=O)O 05b7dbb61d35e1c0bd7bb81a555d18bd [1,1,0,0,0,0|1,0,0]=3 564 B8R0.28 C=C(Br)COCC(=O)C 2998d15811d05ee94864f071d160f5f0 [1,1,0,0,0,0|2,0,0]=4 565 B8R0.28 C=C(Br)COCC(=O)N 2c6d55f6363876b84cccef21b90548f9 [1,1,0,0,0,0|2,0,0]=4 566 B8R0.28 C=C(Br)COCC(=O)O e8e184098bedf613b29dafbf59df235c [1,1,0,0,0,0|1,0,0]=3 567 B8R0.28 C=C(Br)COCS(=O)O 10005108ced4619e04f4fe7dbf69d91a [1,1,0,0,0,0|2,0,0]=4 568 B8R0.28 C=C(C)CCNC(=O)C aad0094172f39db5c54a5f1ed27a8fb8 [1,1,0,0,0,0|2,0,0]=4 569 B8R0.28 C=C(C)CNCC(=O)C 78f45c6f7509cf460bc1a071e894d38c [1,1,0,0,0,0|2,0,0]=4 570 B8R0.28 C=C(C)CNCC(=O)N 8581ddd0da23c9284f8dc88ea47d82e4 [1,1,0,0,0,0|2,0,0]=4 571 B8R0.28 C=C(C)CNCC(=O)O d2fb071764818c27006da68838bfc61e [1,1,0,0,0,0|1,0,0]=3 572 B8R0.28 C=C(C)COCC(=O)C 3742b2df3a9a917d85dc43f50a8243d8 [1,1,0,0,0,0|2,0,0]=4 573 B8R0.28 C=C(C)COCC(=O)N 2e0576688aeeb2ae46f807ab3429eaee [1,1,0,0,0,0|2,0,0]=4 574 B8R0.28 C=C(C)COCC(=O)O 832789ca495f30d4ff4e6ddd8693aa4b [1,1,0,0,0,0|1,0,0]=3 575 B8R0.28 C=C(C)COCS(=O)O a8428e5ac296d31c343bfaabd9a1be0e [1,1,0,0,0,0|2,0,0]=4 576 B8R0.28 C=C(Cl)CNCC(=O)C 6407914012707c1ab5fd2c79654fa535 [1,1,0,0,0,0|2,0,0]=4 577 B8R0.28 C=C(Cl)CNCC(=O)N 7c8916fb7e7eeb0371664f121b45da36 [1,1,0,0,0,0|2,0,0]=4 578 B8R0.28 C=C(Cl)CNCC(=O)O 0ea0d61f8e1c4c420d416d9dc1a60953 [1,1,0,0,0,0|1,0,0]=3 579 B8R0.28 C=C(Cl)COCC(=O)C ad4435b5d09240ae6535f809383ea097 [1,1,0,0,0,0|2,0,0]=4 580 B8R0.28 C=C(Cl)COCC(=O)N e62d83867f4522fd361dc7fb28d237bf [1,1,0,0,0,0|2,0,0]=4 581 B8R0.28 C=C(Cl)COCC(=O)O ee8599d3a22727e83bdc3c798e5397dc [1,1,0,0,0,0|1,0,0]=3 582 B8R0.28 C=C(Cl)COCS(=O)O 9d5c2013ab89d18896673b9936d37196 [1,1,0,0,0,0|2,0,0]=4 583 B8R0.28 C=C(F)CNCC(=O)C 472ef255a1d32a88dcdb7879c6c91d0d [1,1,0,0,0,0|2,0,0]=4 584 B8R0.28 C=C(F)CNCC(=O)N ee22e010fabb455a65c1b5e9585a67b6 [1,1,0,0,0,0|2,0,0]=4 585 B8R0.28 C=C(F)CNCC(=O)O aab76ef26695cab61ed52383b845bb72 [1,1,0,0,0,0|1,0,0]=3 586 B8R0.28 C=C(F)COCC(=O)C 3b49497466c0b1ff9d1a27fea6f908e8 [1,1,0,0,0,0|2,0,0]=4 587 B8R0.28 C=C(F)COCC(=O)N aaf6ae400cee3b6823a75f7865680700 [1,1,0,0,0,0|2,0,0]=4 588 B8R0.28 C=C(F)COCC(=O)O f5776b84ba2c7eb610e1eea7ce1c5fab [1,1,0,0,0,0|1,0,0]=3 589 B8R0.28 C=C(F)COCS(=O)O 58d8f260e098cc200137c2217e19bc22 [1,1,0,0,0,0|2,0,0]=4 590 B8R0.28 C=C(I)COCC(=O)N 1888b9e916b6b5f049e5895e82c5075d [1,1,0,0,0,0|2,0,0]=4 591 B8R0.28 C=C(I)COCC(=O)O 52bbc10c521352de8ec4983b6d539a87 [1,1,0,0,0,0|1,0,0]=3 592 B8R0.28 CC(=O)CNCC(=O)O 3b62ba43bac1c68066fe81a9d9795c10 [1,1,0,0,0,0|1,0,1]=4 593 B8R0.28 CC(=O)COCC(=O)O f81228ab107345361ebd98034538304d [1,1,0,0,0,0|1,0,1]=4 594 B8R0.28 NC(=O)CNCC(=O)O f2703709dbe66eb9eafa6a5e3a6833d0 [1,1,0,0,0,0|2,0,0]=4 595 B8R0.28 NC(=O)COCC(=O)O ca1a8d30b253d832771128a06ed499a3 [1,1,0,0,0,0|2,0,0]=4 596 B8R0.28 NC(=S)COCC(=O)O 29d31950ca99b5fd12dd696af3cc0c91 [1,1,0,0,0,0|2,0,0]=4 597 B8R0.28 O=C(O)CNCC(=O)O 7ab7bcf73fc666bf191dd4d7783c1974 [1,1,0,0,0,0|2,0,0]=4 598 B8R0.28 O=C(O)COCC(=O)O c0e1c849c7114f9f4b4ce529ad852b29 [1,1,0,0,0,0|2,0,0]=4 599 B10R0.3 C/C=C/C(C)OCCC(=O)C 74ae66673957e9a6d0e8a0f26b240036 [0,1,0,0,0,1|2,0,0]=4 600 B10R0.3 C/C=C/C(C)OCCC(=O)N 86e1233907da42db558bf40bc7886615 [0,1,0,0,0,1|2,0,0]=4 601 B10R0.3 C/C=C/C(C)OCCC(=O)O dbb965c51a69892a1dfd0ba104f90779 [0,1,0,0,0,1|1,0,0]=3 602 B10R0.3 C=CCC(C)CNCC(=O)C c9c4eb87387cddbdd0fe7744e9dbd0b1 [0,1,0,0,0,1|2,0,0]=4 603 B10R0.3 C=CCC(C)CNCC(=O)N 78d41f5a8be66c819508d959e4ff3fb9 [0,1,0,0,0,1|2,0,0]=4 604 B10R0.3 C=CCC(C)CNCC(=O)O 6a3cca9f40c9ac386440862f6d3e07e5 [0,1,0,0,0,1|1,0,0]=3 605 B10R0.3 C=CCC(C)COCC(=O)C 682b90ed3f40d955516cc7b1a7cdaffe [0,1,0,0,0,1|2,0,0]=4 606 B10R0.3 C=CCC(C)COCC(=O)N 73ca31d89197a942c118c6fa302aff61 [0,1,0,0,0,1|2,0,0]=4 607 B10R0.3 C=CCC(C)COCC(=O)O bb31b55478d1d58571d02ffbf038de42 [0,1,0,0,0,1|1,0,0]=3 608 B10R0.3 C=CCC(C)COCS(=O)O 189b00116fd2a68d3cd3a9bdd6a0affd [0,1,0,0,0,1|2,0,0]=4 609 B10R0.3 C=CCC(C)OCCC(=O)C 26ebd3bdaec7d67f4ef0322e29628a9f [0,1,0,0,0,1|2,0,0]=4 610 B10R0.3 C=CCC(C)OCCC(=O)N 589b7587ab8a96d90b58db5ab36349c1 [0,1,0,0,0,1|2,0,0]=4 611 B10R0.3 C=CCC(C)OCCC(=O)O ef1defb711d1cdddffb14859ff0a5028 [0,1,0,0,0,1|1,0,0]=3 612 B10R0.3 C=CCC(O)CNCC(=O)N 9e87927e1b9a0c728efb35692fc88ee2 [0,1,0,0,0,1|2,0,0]=4 613 B10R0.3 C=CCC(O)CNCC(=O)O 8ba04d027c18298d8d4343dfb693f421 [0,1,0,0,0,1|1,0,0]=3 614 B10R0.3 C=CCN(C)CCCC(=O)O 382ba004b96a83684fac5160dfcca5ef [0,1,0,0,0,1|2,0,0]=4 615 B10R0.3 C=CC[C@@H](C)OCCC(=O)C 29d4fb797c81ebac9322f3ca7ab2f0cc [0,1,0,0,0,1|2,0,0]=4 616 B10R0.3 C=CC[C@@H](C)OCCC(=O)N 9291da2d1827cc73c3c625e5f3af62b8 [0,1,0,0,0,1|2,0,0]=4 617 B10R0.3 C=CC[C@@H](C)OCCC(=O)O 7fb523dcb126981013af9011c29cc6c9 [0,1,0,0,0,1|1,0,0]=3 618 B10R0.3 C=CC[C@H](C)OCCC(=O)C 059f284bcef65ec8c01944cfc091e8b4 [0,1,0,0,0,1|2,0,0]=4 619 B10R0.3 C=CC[C@H](C)OCCC(=O)N ef4f406ce1e5d058cee0346d3e4d282c [0,1,0,0,0,1|2,0,0]=4 620 B10R0.3 C=CC[C@H](C)OCCC(=O)O 653998c21d52df34c649eb9e0f282aa5 [0,1,0,0,0,1|1,0,0]=3 621 B10R0.3 C=COC(=O)CNCC(=O)O 6fd9e59571770850fa0582b590c3d396 [0,1,0,0,0,1|1,0,1]=4 622 B10R0.3 C=COC(=O)COCC(=O)O 5bac69744256bc50ecec4cd4f12e95a7 [0,1,0,0,0,1|1,0,1]=4 623 B10R0.3 CC=CC(C)OCCC(=O)C 664d89379865418a4fe7e28efb1c042f [0,1,0,0,0,1|2,0,0]=4 624 B10R0.3 CC=CC(C)OCCC(=O)N 33adc9f2016ecb5970ff22c62d7c1ac3 [0,1,0,0,0,1|2,0,0]=4 625 B10R0.3 CC=CC(C)OCCC(=O)O 1f0513acd8c961991097437620a98ec4 [0,1,0,0,0,1|1,0,0]=3 626 B10R0.44 C=CC(C)NC(C)CC(=O)O 1f219218123e27d729b56ca95c1a509e [0,1,0,0,0,1|1,0,0]=3 627 B10R0.44 C=CC(C)N[C@@H](C)CC(=O)O 6e1bc7030e2d33a685ff8b3c354534f9 [0,1,0,0,0,1|1,0,0]=3 628 B10R0.44 C=CC(C)N[C@H](C)CC(=O)O d91db5212b5b86219dbe726b9e1a5272 [0,1,0,0,0,1|1,0,0]=3 629 B10R0.44 C=CC(C)OC(C)CC(=O)N 7fc3b7afbf3ff33515e8c8997f8d0526 [0,1,0,0,0,1|2,0,0]=4 630 B10R0.44 C=CC(C)OC(C)CC(=O)O 50a4e38a93617857ae3024d028e906f6 [0,1,0,0,0,1|1,0,0]=3 631 B10R0.44 C=CC(C)O[C@@H](C)CC(=O)O bc6eeabcbd13e492e1dee76fe70790a6 [0,1,0,0,0,1|1,0,0]=3 632 B10R0.44 C=CC(C)O[C@H](C)CC(=O)O eb4538a5d6303da2699149fa430cc843 [0,1,0,0,0,1|1,0,0]=3 633 B10R0.44 C=C[C@H](C)OC(C)CC(=O)O fe77dcf43eaed097d7991c7245d35a97 [0,1,0,0,0,1|1,0,0]=3 634 B10R0.44 CC(C=O)NC(C)CC(=O)O 44a6be9e3bec6b72ce34d1f254137a3c [0,1,0,0,0,1|2,0,0]=4 635 B10R0.44 CC(C=O)N[C@@H](C)CC(=O)O 15e9c61bcf1370f1801720d7a6b8500d [0,1,0,0,0,1|2,0,0]=4 636 B10R0.44 CC(C=O)N[C@H](C)CC(=O)O d7d2b9601330d0d1c0deb8c890fa200a [0,1,0,0,0,1|2,0,0]=4 637 B10R0.44 CC(C=O)OC(C)CC(=O)O d59d35c972197a3a425564cccd6d8eef [0,1,0,0,0,1|2,0,0]=4 638 B10R0.44 CC(C=O)O[C@@H](C)CC(=O)O d1269b556fb46394cb8a4b27a612eac8 [0,1,0,0,0,1|2,0,0]=4 639 B10R0.44 CC(C=O)O[C@H](C)CC(=O)O ea609d9f7451521e1dae9fb95856a833 [0,1,0,0,0,1|2,0,0]=4 640 B10R0.44 CC(CC(=O)O)N[C@H](C)C=O 8a361395c012c8ae4258c7514e2195de [0,1,0,0,0,1|2,0,0]=4 641 B10R0.44 CC(CC(=O)O)O[C@H](C)C=O bc204f4be1e13fcf3dcc93cdb355677f [0,1,0,0,0,1|2,0,0]=4 642 B10R0.44 C[C@H](C=O)N[C@@H](C)CC(=O)O 077a6eb482140623314328f20782f7a3 [0,1,0,0,0,1|2,0,0]=4 643 B10R0.44 C[C@H](C=O)N[C@H](C)CC(=O)O 806938f1d045a5bfda5e95b2e1d5460c [0,1,0,0,0,1|2,0,0]=4 644 B10R0.44 C[C@H](C=O)O[C@@H](C)CC(=O)O 318af9f69f5e2deb61480d5a6a64c323 [0,1,0,0,0,1|2,0,0]=4 645 B10R0.44 C[C@H](C=O)O[C@H](C)CC(=O)O bc51f666cb982cc7396f185b4e11ae41 [0,1,0,0,0,1|2,0,0]=4 646 B10R0.57 C=CC(C)N(C)CCC(=O)N 6c17b853c07d3d0688052a22f3fa9d63 [0,1,0,0,0,1|2,0,0]=4 647 B10R0.57 C=CC(C)N(C)CCC(=O)O e42d2d40f491e7a341d15922167640bb [0,1,0,0,0,1|1,0,0]=3 648 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(=O)N 9d761c67a41aeff261dc8f7ad7b95343 [0,1,0,0,0,1|2,0,0]=4 649 B10R0.57 C=C[C@@H](C)[C@@H](C)OCC(=O)O 95031b61049d863ed1837ca8ec87b71f [0,1,0,0,0,1|1,0,0]=3 650 B10R0.57 C=C[C@@H](C)[C@H](C)OCC(=O)N e5fe4ba77edc06a373d0cfaa9e9d52a9 [0,1,0,0,0,1|2,0,0]=4 651 B10R0.57 C=C[C@@H](C)[C@H](C)OCC(=O)O 283a1ad6572a6440326ef516cf489b0a [0,1,0,0,0,1|1,0,0]=3 652 B10R0.57 C=C[C@H](C)[C@@H](C)OCC(=O)N b889ecdbad0fdc67e4cb924091f2d35b [0,1,0,0,0,1|2,0,0]=4 653 B10R0.57 C=C[C@H](C)[C@@H](C)OCC(=O)O c7a61711146027c646e2356c8b6b1b0e [0,1,0,0,0,1|1,0,0]=3 654 B10R0.57 C=C[C@H](C)[C@H](C)OCC(=O)N 1cce8418ecfa59216b698b82041366a6 [0,1,0,0,0,1|2,0,0]=4 655 B10R0.57 C=C[C@H](C)[C@H](C)OCC(=O)O 2012fb7a7be5d21aaa15d761c94c35ce [0,1,0,0,0,1|1,0,0]=3 656 B10R0.57 CC(C=O)N(C)CCC(=O)O 9cd422f02cce733f93ac5a8a170a7360 [0,1,0,0,0,1|2,0,0]=4 657 B10R0.57 C[C@H](C=O)N(C)CCC(=O)O 70bc4e71003097a764fe2ef2d74cd7dd [0,1,0,0,0,1|2,0,0]=4 658 B10R0.59 C=CC(=O)NCCC(=O)NO 278ac36e021713cb108eaade7c6550c5 [0,1,0,0,0,1|1,0,1]=4 659 B10R0.59 C=CC(=O)NCCC(=O)OC f7ea9b1436cf9ce5898cf92616c24b65 [0,1,0,0,0,1|1,0,1]=4 660 B10R0.59 C=CC(C)COCC(=C)OC 6faaac87e81f70177f460320c29c8b00 [0,1,0,0,0,1|2,0,0]=4 661 B10R0.59 C=CC(C)COCC(=O)CC 478b9cf166ae7fadc49ca30ff5990c17 [0,1,0,0,0,1|2,0,0]=4 662 B10R0.59 C=CC(C)COCC(=O)NC 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C=CC(C)N[C@H](CO)C(=O)O 52464195f5df30be04cd7f92db380d31 [0,2,0,0,0,0|2,0,0]=4 882 B10R0.53 C=CC(C)N[C@H](CS)C(=O)O 8a1c11002b01fba27743c16287f81f82 [0,2,0,0,0,0|2,0,0]=4 883 B10R0.53 C=CC(C)OC(CC)C(=O)O 6ff8b9af34906ca91c4d7f1e5c9d914b [0,2,0,0,0,0|2,0,0]=4 884 B10R0.53 C=CC(C)OC(CF)C(=O)O 6548959b37c65890f6a134a5972f3e84 [0,2,0,0,0,0|2,0,0]=4 885 B10R0.53 C=CC(C)O[C@@H](CC)C(=O)O 5b1cd250624b2e5c1d0293fb614e71bd [0,2,0,0,0,0|2,0,0]=4 886 B10R0.53 C=CC(C)O[C@H](CC)C(=O)O 329aee06c57623d1b070dee665d2d980 [0,2,0,0,0,0|2,0,0]=4 887 B10R0.53 C=CC(C)O[C@H](CF)C(=O)O 8a9946714d3d1329ffa4068a0b245689 [0,2,0,0,0,0|2,0,0]=4 888 B10R0.53 C=C[C@H](C)OC(CC)C(=O)O 3bae3cc811b6aab563b2744d2092f14e [0,2,0,0,0,0|2,0,0]=4 889 B10R0.53 C=C[C@H](C)OC(CF)C(=O)O 31949a8be58f16ccf3891c2b42db7075 [0,2,0,0,0,0|2,0,0]=4 890 B10R0.53 C=C[C@H](C)O[C@@H](CC)C(=O)O 1ab9490c926b60aba01418e50af070be [0,2,0,0,0,0|2,0,0]=4 891 B10R0.53 C=C[C@H](C)O[C@H](CC)C(=O)O 5874f7f576edb3f6140ca7743271534a [0,2,0,0,0,0|2,0,0]=4 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[0,2,0,0,0,0|2,0,0]=4 903 B10R0.72 C=CC(CC)OC(F)C(=O)O e6da1166117cc000414e82c507eec1a4 [0,2,0,0,0,0|2,0,0]=4 904 B10R0.72 C=CC(CC)O[C@@H](C)C(=O)O 5ae3a951f0a982c6d6cb1e8cd45d5025 [0,2,0,0,0,0|2,0,0]=4 905 B10R0.72 C=CC(CC)O[C@@H](F)C(=O)O fa386c65f00c0ae641b904d42c8858ec [0,2,0,0,0,0|2,0,0]=4 906 B10R0.72 C=CC(CC)O[C@H](C)C(=O)O e18afa4f1c95adb55e5821ff07e0a17d [0,2,0,0,0,0|2,0,0]=4 907 B10R0.72 C=C[C@@H](CO)NC(C)C(=O)O 061f83f4cfcfcec21d1afd8b78cb806c [0,2,0,0,0,0|2,0,0]=4 908 B10R0.72 C=C[C@@H](CO)N[C@@H](C)C(=O)O 06e7bc0cb5a78d4509d4482755c30d50 [0,2,0,0,0,0|2,0,0]=4 909 B10R0.72 C=C[C@@H](CO)N[C@H](C)C(=O)O d1e9df3d5d3a2cf3c7d4d6fd4e3c789e [0,2,0,0,0,0|2,0,0]=4 910 B10R0.27 C=CC(CC#N)OCC(=O)O e1fb8cdf697dec68beb0829204acbaa5 [0,2,0,0,0,0|1,0,1]=4 911 B10R0.27 C=CC(CCC(=O)O)NCC 07ac26d4c4f3f4eb51e6650cd5bad6b1 [0,2,0,0,0,0|0,0,0]=2 912 B10R0.27 C=CC(CCC(=O)O)NCF 94ee13d7dfd148af2499ec1cb75eea6c [0,2,0,0,0,0|0,0,0]=2 913 B10R0.27 C=CC(CCC(=O)O)NCO 8876060506a92812bbd34359b501dbeb [0,2,0,0,0,0|0,0,0]=2 914 B10R0.27 C=CC(CCC)OCC(=O)O d958253884b4fea91c83d729f2748726 [0,2,0,0,0,0|2,0,0]=4 915 B10R0.27 C=CCC(C=C)OCC(=O)O e6a390ff767ddda09d17a47efca296c6 [0,2,0,0,0,0|2,0,0]=4 916 B10R0.27 C=CCN(C#N)CCC(=O)O 765b28723c0e47cfd841133fd243e326 [0,2,0,0,0,0|1,0,1]=4 917 B10R0.27 C=C[C@H](CCC(=O)O)NCC 8d9f01447a0f9cf8f187162314b1e082 [0,2,0,0,0,0|0,0,0]=2 918 B10R0.27 C=C[C@H](CCC(=O)O)NCF 2c325f6a5880c17a6ffd2fe413e24791 [0,2,0,0,0,0|0,0,0]=2 919 B10R0.27 C=C[C@H](CCC(=O)O)NCO 6a385cb22666c1c398ef911639249d55 [0,2,0,0,0,0|0,0,0]=2 920 B10R0.78 C/C=C/CN(C)CCC(=O)O d48cb237d4b6714f804abb11046cf491 [0,2,0,0,0,0|2,0,0]=4 921 B10R0.78 C/C=C\CN(C)CCC(=O)O db7fde7e853325de4cb4fe46f70dee6f [0,2,0,0,0,0|2,0,0]=4 922 B10R0.78 C=CCCC(C)NCC(=O)O 5d2eb87c1e173f0f955b593541eba429 [0,2,0,0,0,0|2,0,0]=4 923 B10R0.78 C=CCCC(C)OCC(=O)O b7388377e1306c899a295165a4f296dc [0,2,0,0,0,0|2,0,0]=4 924 B10R0.78 C=CCCN(C)CCC(=O)O c88d142c0153cd074bf94e770862deee [0,2,0,0,0,0|2,0,0]=4 925 B10R0.78 C=CCC[C@@H](C)OCC(=O)O d7d1f7d6c842e2d2ca8cc4938a342291 [0,2,0,0,0,0|2,0,0]=4 926 B10R0.78 C=CCNC(C)CCC(=O)O 1c641b10659277bf870f2435fb9cc772 [0,2,0,0,0,0|1,0,0]=3 927 B10R0.78 C=CCN[C@@H](C)CCC(=O)O 41e02b8225891f68f4968faae15e221e [0,2,0,0,0,0|1,0,0]=3 928 B10R0.78 C=CCOC(C)CCC(=O)O d3bbb7bd77e045d25348a075f12af676 [0,2,0,0,0,0|1,0,0]=3 929 B10R0.78 CC(CCC(=O)O)NCC=O f07da88c3240b0e8214fd1c7519e2c1c [0,2,0,0,0,0|1,0,1]=4 930 B10R0.78 CC(CCC(=O)O)OCC=O 7a9c9b3f7f3a3956a0f818bd283bd0c2 [0,2,0,0,0,0|1,0,1]=4 931 B10R0.78 CN(C/C=C/Cl)CCC(=O)O 1ba786aac77e727e0c5905c987dfe3cd [0,2,0,0,0,0|2,0,0]=4 932 B10R0.78 CN(C/C=C\Cl)CCC(=O)O 53b1ebc3800dc8a376e30717cb729326 [0,2,0,0,0,0|2,0,0]=4 933 B10R0.78 CN(C/C=C\O)CCC(=O)O 403665907776035fc70264aa2022a193 [0,2,0,0,0,0|2,0,0]=4 934 B10R0.78 C[C@@H](CCC(=O)O)NCC=O b839759f3cf70a57c740f12ad2bedf48 [0,2,0,0,0,0|1,0,1]=4 935 B10R0.96 C=C(Br)CN(C)CCC(=O)O e2cc80055d9bc4aa7ea6415dc05b1a47 [0,2,0,0,0,0|2,0,0]=4 936 B10R0.96 C=C(C)CN(C)CCC(=O)O ea3efa51944f2f4c1c6bf5c6bed64116 [0,2,0,0,0,0|2,0,0]=4 937 B10R0.96 C=C(Cl)CN(C)CCC(=O)O c1769a92b994153305f9912ab4102d1e [0,2,0,0,0,0|2,0,0]=4 938 B10R1.31 C=CC1CCN(C1)C(=O)C 3f2fb07f0a9989457104dad593a3a974 [0,0,0,1,0,1|2,0,0]=4 939 B10R1.54 CC(=O)N[C@@H]1C=C[C@@H](C1)O 3c5d449b83a9068c632156e6fad4a84d [0,0,0,1,0,1|2,0,0]=4 940 B10R1.54 CC(=O)N[C@H]1C=C[C@H](C1)O 5da21737f4afea7787ecde715b144bdd [0,0,0,1,0,1|2,0,0]=4 941 B10R1.73 C=C1CC1COCC(=O)N db73309f12fbc6d2427ef421dcafb7a8 [0,0,0,1,0,1|2,0,0]=4 942 B10R1.73 C=C1CC1COCC(=O)O f3e3c7d903ad268a8abbdd04b75516e3 [0,0,0,1,0,1|1,0,0]=3 943 B10R1.150 C=CC(C)NC1CC(=O)C1 f5c4608a311387c5f33459f286265dc8 [0,0,0,1,0,1|2,0,0]=4 944 B10R1.150 C=CC(C)OC1CC(=O)C1 fd89f5a8867b8dfa22b52e870c06a4c7 [0,0,0,1,0,1|2,0,0]=4 945 B10R1.150 C=C[C@H](C)OC1CC(=O)C1 8bc72ffc188e117d88c77194163b73bc [0,0,0,1,0,1|2,0,0]=4 946 B10R1.156 O=CC1CC1NCC(=O)O 65e015782a4b5f2911edf8d938c4a676 [0,0,0,1,0,1|2,0,0]=4 947 B10R1.156 O=CC1CC1OCC(=O)O 7d5cc370f7fa3a9ac30787034ddc7630 [0,0,0,1,0,1|2,0,0]=4 948 B10R1.66 O=C(O)CCN1CC=CC1 c65ba50af520c1ae6b0360bbe16ef8eb [0,1,0,1,0,0|2,0,0]=4 949 B10R1.66 O=C(O)CNC1CC=CC1 b8e47b529e5fc837552042e04bc94d72 [0,1,0,1,0,0|2,0,0]=4 950 B10R1.66 O=C(O)CNc1cc[nH]n1 db21ff944449ddece077f94178dc891f [0,1,0,1,0,0|1,0,1]=4 951 B10R1.66 O=C(O)CNc1ncc[nH]1 ede0a8770fcc3d335ca44ac1a91b218c [0,1,0,1,0,0|1,0,1]=4 952 B10R1.66 O=C(O)COC1C=CCC1 516af6899b9a378445553ab94f04bd0f [0,1,0,1,0,0|2,0,0]=4 953 B10R1.66 O=C(O)COC1CC=CC1 8b8788a3c0effe6f4d1b782421ac330f [0,1,0,1,0,0|2,0,0]=4 954 B10R1.66 O=C(O)COc1ccn[nH]1 a90818a9bc4e7c43ef2c4a1e00326fa7 [0,1,0,1,0,0|1,0,1]=4 955 B10R1.93 C=CCN1CC(C1)C(=O)O fafda17d10fc44f0899fc8d60e670176 [0,1,0,1,0,0|2,0,0]=4 956 B10R0.55 C=CC(=O)NCOCC(=O)O d1c4c2a642a3356160bf78c6c00626c1 [0,0,0,0,0,2|1,0,1]=4 957 B10R0.55 C=CC(C)COCCC(=O)C 5d314aa1b53b6e076061fe4b6c5057ae [0,0,0,0,0,2|2,0,0]=4 958 B10R0.55 C=CC(C)COCCC(=O)N 255d7ef787a9bdc587de137a79d072fb [0,0,0,0,0,2|2,0,0]=4 959 B10R0.55 C=CC(C)COCCC(=O)O d46650cad160bd586654300d8048a2ce [0,0,0,0,0,2|1,0,0]=3 960 B10R0.55 C=CC(C)COCOC(=O)C a65868269ba9e470f94bf6db8bd515df [0,0,0,0,0,2|2,0,0]=4 961 B10R0.55 C=CC(C)COCSC(=O)N 68f3b3411d6b209478567c13f78ba0b1 [0,0,0,0,0,2|2,0,0]=4 962 B10R0.55 C=CC(C)NC/C=C/C(=O)O a966e95274750cd025a7251516c95c27 [0,0,0,0,0,2|1,0,1]=4 963 B10R0.55 C=CC(C)NCC#CC(=O)O 5eacfee7349c8e55bb116c610f4b541a [0,0,0,0,0,2|1,0,1]=4 964 B10R0.55 C=CC(C)NCC=CC(=O)O 1a6f5e153a3a2d904e5c23b2046ebbfc [0,0,0,0,0,2|1,0,1]=4 965 B10R0.55 C=CC(C)NCCCC(=O)C 0fbf0c56126c5f951084529f9840026d [0,0,0,0,0,2|2,0,0]=4 966 B10R0.55 C=CC(C)NCCCC(=O)N 0f36cc7db4fa7978e657931af5aff283 [0,0,0,0,0,2|2,0,0]=4 967 B10R0.55 C=CC(C)NCCCC(=O)O b5c8616afa95eeb22d5f8744a0b345fe [0,0,0,0,0,2|1,0,0]=3 968 B10R0.55 C=CC(C)NCCNC(=O)C a89b4aad39b4055b329450e9e0ad0d32 [0,0,0,0,0,2|2,0,0]=4 969 B10R0.55 C=CC(C)NCCNC(=O)N 5cf1b3a1b1fd0916d245573ca7a31abb [0,0,0,0,0,2|2,0,0]=4 970 B10R0.55 C=CC(C)NCCOC(=O)C cc8d985890d353fb557c489a48f261c8 [0,0,0,0,0,2|2,0,0]=4 971 B10R0.55 C=CC(C)NCCSC(=O)C 74d04710f2c12a710d8f6d5d6e0ba006 [0,0,0,0,0,2|2,0,0]=4 972 B10R0.55 C=CC(C)OC/C=C/C(=O)O 6512071d27d188ca8df4f004eb6524c8 [0,0,0,0,0,2|1,0,1]=4 973 B10R0.55 C=CC(C)OCC#CC(=O)O 3770503727620e0cd13598feacfdf98c [0,0,0,0,0,2|1,0,1]=4 974 B10R0.55 C=CC(C)OCC=CC(=O)O 3cf3be27adacb2d199b5d5f26181a898 [0,0,0,0,0,2|1,0,1]=4 975 B10R0.55 C=CC(C)OCCCC(=O)C c00ac6956602aea54e79a40d0eeda34a [0,0,0,0,0,2|2,0,0]=4 976 B10R0.55 C=CC(C)OCCCC(=O)N e344944722bde0ba7943b6fa82766faf [0,0,0,0,0,2|2,0,0]=4 977 B10R0.55 C=CC(C)OCCCC(=O)O 50e7c4c22786df186650c13d2dec5080 [0,0,0,0,0,2|1,0,0]=3 978 B10R0.55 C=CC(C)OCCNC(=O)C 7f135eafc8f727d5ce725d69a6bbd3c2 [0,0,0,0,0,2|2,0,0]=4 979 B10R0.55 C=CC(C)OCCNC(=O)N ad5b128770ad53ef268fbed29f58916f [0,0,0,0,0,2|2,0,0]=4 980 B10R0.55 C=CC(C)OCCOC(=O)C 41b9d6ba751dbec423dbc94b447ead54 [0,0,0,0,0,2|2,0,0]=4 981 B10R0.55 C=CC(C)OCCSC(=O)C 3ab2c0046a0c6372e2a5cddf49a4e8f0 [0,0,0,0,0,2|2,0,0]=4 982 B10R0.55 C=CC(O)CNCCC(=O)C 618e4ac20ee416ebf84c96352af3c95a [0,0,0,0,0,2|2,0,0]=4 983 B10R0.55 C=CC(O)CNCCC(=O)N 25771ad0851c169a1066919ad29371ec [0,0,0,0,0,2|2,0,0]=4 984 B10R0.55 C=CC(O)CNCCC(=O)O 3a78963f4f5c92a47b436a0a0df20980 [0,0,0,0,0,2|1,0,0]=3 985 B10R0.55 C=CC(O)CNCOC(=O)C 4d5db07697658c937f2c71323296fa5d [0,0,0,0,0,2|2,0,0]=4 986 B10R0.55 C=CC(O)CNCSC(=O)N c6fdb69fa04d9fe177f15025553ae3e8 [0,0,0,0,0,2|2,0,0]=4 987 B10R0.55 C=C[C@H](C)OC/C=C/C(=O)O 88fe8480048891c02bf0231cd084f7f6 [0,0,0,0,0,2|1,0,1]=4 988 B10R0.55 C=C[C@H](C)OCC=CC(=O)O d92ac5b2874456c13473bca3785bbdb2 [0,0,0,0,0,2|1,0,1]=4 989 B10R0.55 C=C[C@H](C)OCCCC(=O)C ebb346dea71240651ec58322fae02939 [0,0,0,0,0,2|2,0,0]=4 990 B10R0.55 C=C[C@H](C)OCCCC(=O)N 6848748d6a65cf52fb0aa1c4dbfb3b9b [0,0,0,0,0,2|2,0,0]=4 991 B10R0.55 C=C[C@H](C)OCCCC(=O)O b6ba2c80bde765d226c9c5305595ef4d [0,0,0,0,0,2|1,0,0]=3 992 B10R0.55 C=C[C@H](C)OCCNC(=O)C 89d0edbd4cb59d01df38b0c949aebc8b [0,0,0,0,0,2|2,0,0]=4 993 B10R0.55 C=C[C@H](C)OCCNC(=O)N 5efe84f35120135d15b2020c69747dde [0,0,0,0,0,2|2,0,0]=4 994 B10R0.55 C=C[C@H](C)OCCOC(=O)C ce33f5c576fe43ceefb99523e4fc2bd9 [0,0,0,0,0,2|2,0,0]=4 995 B10R0.55 C=C[C@H](C)OCCSC(=O)C c061762a23d664985210604a9e1859f3 [0,0,0,0,0,2|2,0,0]=4 996 B10R0.55 CC(C=O)NCCCC(=O)O 550f679a871f09ec8d9b314af632f9a0 [0,0,0,0,0,2|2,0,0]=4 997 B10R0.55 CC(C=O)OCCCC(=O)O 0e120f8f4df86f39d3edb73bad31e59a [0,0,0,0,0,2|2,0,0]=4 998 B10R0.55 C[C@H](C=O)NCCCC(=O)O 2d23f56addaa20c65e70451460a0caab [0,0,0,0,0,2|2,0,0]=4