0 B9R0.2 C#CCCCNCC(=O)O 975c67599d89c29829229a46ede70bbb [0,0,0,0,0,0|1,0,3]=4 1 B9R0.2 C#CCCCOCC(=O)O 2f70653e4facc4c8d709313f8dc49158 [0,0,0,0,0,0|1,0,3]=4 2 B9R0.2 C#CCNC/C=C/C(=O)O be98af70d6da1f877b1f595caabb5803 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.2 C#CCNCC=CC(=O)O a1f76c6058a6a81654c574183e81685b [0,0,0,0,0,0|1,0,2]=3 4 B9R0.2 C#CCOC/C=C/C(=O)O e24154ba2c22ad3854e3dce8d007ed14 [0,0,0,0,0,0|1,0,2]=3 5 B9R0.2 C#CCOCC=CC(=O)O 1dd99327b65bc7276937f4c64209f95d [0,0,0,0,0,0|1,0,2]=3 6 B9R0.2 C/C=C/CCOCC(=O)O d02eb75e5aadfb9961c8467e0504d028 [0,0,0,0,0,0|1,0,3]=4 7 B9R0.2 C=C(Br)CNCCCCC d279768b5fdacaf2cda306ea756513dc [0,0,0,0,0,0|3,0,1]=4 8 B9R0.2 C=C(Br)COCCCCC d3362ef2dbe291c29da898c0e2060a14 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.2 C=C(C)CNCCCCC 1fe982b20ee6c93d1b92220bddb7f573 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.2 C=C(C)COCCCCC a29929c8df945f31fba1ca688247acb0 [0,0,0,0,0,0|3,0,1]=4 11 B9R0.2 C=C(Cl)CNCCCCC 3426772373d2ee591d1567d95131ca5d [0,0,0,0,0,0|3,0,1]=4 12 B9R0.2 C=C(Cl)COCCCCC 57ce6103051dc6a3f88df4c556cae1cb [0,0,0,0,0,0|3,0,1]=4 13 B9R0.2 C=C(F)COCCCCC 0f55d43253501cd8e5c46108728cd273 [0,0,0,0,0,0|3,0,1]=4 14 B9R0.2 C=C(I)COCCCCC c852b2428fca73d35ed637c77ee2c36e [0,0,0,0,0,0|3,0,1]=4 15 B9R0.2 C=CCCCNCC(=O)O a6a74f703c15b040a944f1de5b7b31dd [0,0,0,0,0,0|1,0,3]=4 16 B9R0.2 C=CCCCOCC(=O)O 1c361a5699eb9366896dc4e13da269f8 [0,0,0,0,0,0|1,0,3]=4 17 B9R0.2 C=CCNC/C=C/C(=O)O 636992344ad4cc5c0805bc5588e83c40 [0,0,0,0,0,0|1,0,2]=3 18 B9R0.2 C=CCNCC=CC(=O)O 6366a056fc5f421ff29841bcd01bc941 [0,0,0,0,0,0|1,0,2]=3 19 B9R0.2 C=CCOC/C=C/C(=O)O 1f8cd64a72cdcfc5032c523eb9c51e0c [0,0,0,0,0,0|1,0,2]=3 20 B9R0.2 C=CCOCC=CC(=O)O ee8389b68c24cebb495b0c3b85f03986 [0,0,0,0,0,0|1,0,2]=3 21 B9R0.2 CC#CCCOCC(=O)O ee60ee9c54d89ce6a41b3081a53bfa26 [0,0,0,0,0,0|1,0,3]=4 22 B9R0.2 CC(=O)CNCCCCF 43ea4e8083d24c4c3ef19587abf733a4 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.2 CC(=O)CNCCCCO 96082e5297f4b4820c770800699f2247 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.2 CC(=O)COCCCCF 3914679278dfa87c5ec7633c52c8c323 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.2 CC(=O)NCCCCCCl 9810fdb3b44bef22ae3578265fbb7e47 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.2 CC(=O)NCCCCCO 6528e540cd36869e25e869b54ef6b7c3 [0,0,0,0,0,0|3,0,1]=4 27 B9R0.2 CC/C=C/CNCC(=O)O 608fca61d210069d4fe6cf3ba8d9b082 [0,0,0,0,0,0|1,0,3]=4 28 B9R0.2 CC/C=C/COCC(=O)O 47aadf9bd1a62be7751b0a2fca80ef8b [0,0,0,0,0,0|1,0,3]=4 29 B9R0.2 CC/C=C\COCC(=O)O 21a75a85140d898476b2fb3f38c071e1 [0,0,0,0,0,0|1,0,3]=4 30 B9R0.2 CCC#CCOCC(=O)O abd394d0e091b202a9408b79384836eb [0,0,0,0,0,0|1,0,3]=4 31 B9R0.2 CCCCCCNC(=O)C 39216d9115deaeddca0efb3bbde5d8cb [0,0,0,0,0,0|2,0,1]=3 32 B9R0.2 CCCCCNCC(=O)C 08234591298ac478e9a5e187e3c7cd4f [0,0,0,0,0,0|2,0,1]=3 33 B9R0.2 CCCCCNCC(=O)N df1b9e1446c7d44676f292e2874ccd31 [0,0,0,0,0,0|2,0,1]=3 34 B9R0.2 CCCCCNCC(=O)O 50016d51731d942cf0c89f16645029e7 [0,0,0,0,0,0|1,0,1]=2 35 B9R0.2 CCCCCNCC(C)O 9e9132e8083003550d3545b55a454f7b [0,0,0,0,0,0|2,0,2]=4 36 B9R0.2 CCCCCNC[C@@H](C)O 089be76a49b8d969c37e3bf761f099cf [0,0,0,0,0,0|2,0,2]=4 37 B9R0.2 CCCCCNC[C@H](C)O 5a490e8ff74a89416bf9c7c48d9e8ab5 [0,0,0,0,0,0|2,0,2]=4 38 B9R0.2 CCCCCNC[N+](=O)[O-] 4ffec53d6d65ed1a475cd4f2a3234fbe [0,0,0,0,0,0|2,0,2]=4 39 B9R0.2 CCCCCOCC(=O)C 499380b88b419c17c81350fa0478ac8c [0,0,0,0,0,0|2,0,1]=3 40 B9R0.2 CCCCCOCC(=O)N ac3a2c078e0201ad0c0dae7872f135fb [0,0,0,0,0,0|2,0,1]=3 41 B9R0.2 CCCCCOCC(=O)O 880094d6a378029586dbdb044c20be8e [0,0,0,0,0,0|1,0,1]=2 42 B9R0.2 CCCCCOCC(=S)N 2157e345254c9ce27b0fedd6edd60b5b [0,0,0,0,0,0|2,1,1]=4 43 B9R0.2 CCCCCOCS(=O)O b56ed3ff0a872daa7a558b28dc11bf7a [0,0,0,0,0,0|2,0,1]=3 44 B9R0.2 CCCCCOC[N+](=O)[O-] 7029c11439826706543058f3e0154ee4 [0,0,0,0,0,0|2,0,2]=4 45 B9R0.2 CCCCNC/C=C(/C)\I 96ab734b7ce21482610c71b6ec7a0087 [0,0,0,0,0,0|3,0,1]=4 46 B9R0.2 CCCCNC/C=C(\C)/Cl cc815245be4b93926fd334c586089c95 [0,0,0,0,0,0|3,0,1]=4 47 B9R0.2 CCCCNCC=C(C)C fecf7e997f5d1af1b094a02b011b0ef1 [0,0,0,0,0,0|3,0,1]=4 48 B9R0.2 CCCCNCC=C(C)Cl 2e3d05b023f03cd9b003c981af64ea51 [0,0,0,0,0,0|3,0,1]=4 49 B9R0.2 CCCCNCC=C(C)I 30884b68d06af4a4b3dead6018681c13 [0,0,0,0,0,0|3,0,1]=4 50 B9R0.2 CCCCNCC=C(Cl)Cl c4cb9460d98eafb7c67ffb885b4343a6 [0,0,0,0,0,0|3,0,1]=4 51 B9R0.2 CCCCNCCC(=O)C 23aeaf3a105e0d1d74c9a684b3a6ae92 [0,0,0,0,0,0|2,0,2]=4 52 B9R0.2 CCCCNCCC(=O)N 2d98b6dd492f5bb47b303e933495165d [0,0,0,0,0,0|2,0,2]=4 53 B9R0.2 CCCCNCCC(=O)O 2d9ff059f34708cc77b9165028ecaefa [0,0,0,0,0,0|1,0,2]=3 54 B9R0.2 CCCCNCCS(=O)O d1550f302fc03798fde8c440dd73fdb7 [0,0,0,0,0,0|2,0,2]=4 55 B9R0.2 CCCCNCOC(=O)C f747ae8d75ae5077cb457c21af32c3d4 [0,0,0,0,0,0|3,0,1]=4 56 B9R0.2 CCCCNCSC(=O)N c68e80692e27dc4bcd1af702e7ea36a7 [0,0,0,0,0,0|3,0,1]=4 57 B9R0.2 CCCCOC/C=C(/C)\Cl 960fdaf47adbe5ca8fe9706c44ec1044 [0,0,0,0,0,0|3,0,1]=4 58 B9R0.2 CCCCOC/C=C(/C)\I b03bc4260bec39be9cf79aca08c38129 [0,0,0,0,0,0|3,0,1]=4 59 B9R0.2 CCCCOC/C=C(\C)/Cl 743307406907de86af1ae076bd836ab4 [0,0,0,0,0,0|3,0,1]=4 60 B9R0.2 CCCCOCC=C(C)C 761455161b359ecdf381fb2c7e2674d3 [0,0,0,0,0,0|3,0,1]=4 61 B9R0.2 CCCCOCC=C(C)Cl 48d4f013d4d198147254b8b64c0376c6 [0,0,0,0,0,0|3,0,1]=4 62 B9R0.2 CCCCOCC=C(C)I b84310eb2159cdbf6c2e4af756a6961c [0,0,0,0,0,0|3,0,1]=4 63 B9R0.2 CCCCOCC=C(Cl)Cl d0b56f5b497e46da48877a2a743f5f62 [0,0,0,0,0,0|3,0,1]=4 64 B9R0.2 CCCCOCCC(=O)C 6113a5294b2f420804d815edd80f0f40 [0,0,0,0,0,0|2,0,2]=4 65 B9R0.2 CCCCOCCC(=O)N 5eb5a710abf4db2a2dded5d930468391 [0,0,0,0,0,0|2,0,2]=4 66 B9R0.2 CCCCOCCC(=O)O f7b98599c570a58f82c0818a4675303f [0,0,0,0,0,0|1,0,2]=3 67 B9R0.2 CCCCOCNC(=O)C c90275af9c3de9eb05be63b1efa3b4d9 [0,0,0,0,0,0|3,0,1]=4 68 B9R0.2 CCCCOCNC(=O)N c8570fe5b0fca07c49ea855c2c714e28 [0,0,0,0,0,0|3,0,1]=4 69 B9R0.2 CCCCOCOC(=O)C 52b453d7294c4b6acb8f00c70315374a [0,0,0,0,0,0|3,0,1]=4 70 B9R0.2 CCCCOCSC(=O)N d1d81793d91d56bfe6b40ff2fdeafcee [0,0,0,0,0,0|3,0,1]=4 71 B9R0.2 CCCNC/C=C/C(=O)O 2dd1b47b43d39c78f5fbca7c7571ff45 [0,0,0,0,0,0|1,0,0]=1 72 B9R0.2 CCCNC/C=C/C(C)C 8c2b38091f0af05b02125cf53e6e8637 [0,0,0,0,0,0|3,0,1]=4 73 B9R0.2 CCCNCC#CC(=O)N e74eaee5e1f71e6fbf24a351a3deeba4 [0,0,0,0,0,0|2,0,2]=4 74 B9R0.2 CCCNCC#CC(=O)O a4ffabb1fc463a4c83e7684cb826c3e8 [0,0,0,0,0,0|1,0,2]=3 75 B9R0.2 CCCNCC=CC(=O)O f6d198a3c4819b4eb753a38590475072 [0,0,0,0,0,0|1,0,0]=1 76 B9R0.2 CCCNCCC=C(C)C ced8054c93d3346fab5137bb99fb0f73 [0,0,0,0,0,0|3,0,1]=4 77 B9R0.2 CCCNCCC=C(F)F 3981bbaf3e3910f0824696327c10e0cb [0,0,0,0,0,0|3,0,1]=4 78 B9R0.2 CCCNCCCC(=O)C 59b56db2c5ba6f2408c45d91cf5d07cf [0,0,0,0,0,0|2,0,2]=4 79 B9R0.2 CCCNCCCC(=O)N ad3cbfcffc5634ad25d1d1d605d0c75d [0,0,0,0,0,0|2,0,2]=4 80 B9R0.2 CCCNCCCC(=O)O 2c6599e2a5de3ceb0ce4fd582834477f [0,0,0,0,0,0|1,0,2]=3 81 B9R0.2 CCCNCCNC(=O)C 8ec9c538248c1278a7a78c753f9b558d [0,0,0,0,0,0|3,0,1]=4 82 B9R0.2 CCCNCCNC(=O)N eba9cf87c3d4b4412b3b52d629da0618 [0,0,0,0,0,0|3,0,1]=4 83 B9R0.2 CCCNCCOC(=O)C 1f7e1f87180a6b7613488d41ed0bd627 [0,0,0,0,0,0|3,0,1]=4 84 B9R0.2 CCCNCCSC(=O)C 9a734654dda6d6cb5b5c8675b98c7ffb [0,0,0,0,0,0|3,0,1]=4 85 B9R0.2 CCCOC/C=C/C(=O)O 687938439e6711299f4c9234a05e83ff [0,0,0,0,0,0|1,0,0]=1 86 B9R0.2 CCCOC/C=C/C(C)C d81d713f1cad00b19fa195cb6ef21d6a [0,0,0,0,0,0|3,0,1]=4 87 B9R0.2 CCCOCC#CC(=O)O 973b316b9915a74f4553e52fb7cc188e [0,0,0,0,0,0|1,0,2]=3 88 B9R0.2 CCCOCC=CC(=O)O 08e8672bb8b818ca24be0e027803b17f [0,0,0,0,0,0|1,0,0]=1 89 B9R0.2 CCCOCCC=C(C)C ff6fc9b7b0a2446d5a1ca048cc1d0112 [0,0,0,0,0,0|3,0,1]=4 90 B9R0.2 CCCOCCC=C(F)F b6ba6e0b93a8e2b72e4e1e6aa2b1e736 [0,0,0,0,0,0|3,0,1]=4 91 B9R0.2 CCCOCCCC(=O)C 3197867314079ee7d28a75ba48b024e1 [0,0,0,0,0,0|2,0,2]=4 92 B9R0.2 CCCOCCCC(=O)N 070095bcac514fc69d894401c1bbf694 [0,0,0,0,0,0|2,0,2]=4 93 B9R0.2 CCCOCCCC(=O)O 0bf29d754b3e882141bfdc8089deee25 [0,0,0,0,0,0|1,0,2]=3 94 B9R0.2 CCCOCCNC(=O)C 2d108407d153229ed52501407a328bfe [0,0,0,0,0,0|3,0,1]=4 95 B9R0.2 CCCOCCNC(=O)N de0f07e5faa70e06a173f52c30b9f0f6 [0,0,0,0,0,0|3,0,1]=4 96 B9R0.2 CCCOCCOC(=O)C f41b865aa303cc7ca2bd22086d82154a [0,0,0,0,0,0|3,0,1]=4 97 B9R0.2 CCCOCCSC(=O)C e5fbc3852cf2e5bc0f0d48122e1eb071 [0,0,0,0,0,0|3,0,1]=4 98 B9R0.2 CCNCCCCC(=O)N e58565c8abd8e5ef4e9f04f253e40e9c [0,0,0,0,0,0|2,0,2]=4 99 B9R0.2 CCNCCCCC(=O)O c85642c501ae78ad2dab942f5836991c [0,0,0,0,0,0|1,0,2]=3 100 B9R0.2 CCNCCCNC(=O)C 81f3181e8e4443de7d578da2748320f4 [0,0,0,0,0,0|3,0,1]=4 101 B9R0.2 CCNCCOCC(=O)O c0319d2f7183e13649b4e14cf4dc44f0 [0,0,0,0,0,0|2,0,1]=3 102 B9R0.2 CCNCCSCC(=O)O e5cfcab4344048d57fb6458a9d7ade29 [0,0,0,0,0,0|2,0,1]=3 103 B9R0.2 CCOCCC#CC(=O)O 5ed97ccd5b3164e44f8f6133f43dc81c [0,0,0,0,0,0|1,0,2]=3 104 B9R0.2 CCOCCC=C=C(C)C dd35d19c4f283911e045b4e8793dd1f7 [0,0,0,0,0,0|3,0,1]=4 105 B9R0.2 CCOCCCCC(=O)C ecee09a6206772fa3d500ecaf82261c4 [0,0,0,0,0,0|2,0,2]=4 106 B9R0.2 CCOCCCCC(=O)N 6c8808518c393835c53b3e5d4f87702a [0,0,0,0,0,0|2,0,2]=4 107 B9R0.2 CCOCCCCC(=O)O dd3c266ef7ca2d55081985bcebc78969 [0,0,0,0,0,0|1,0,2]=3 108 B9R0.2 CCOCCCNC(=O)C c5dadd69f1df46bcde7d3d147d2b830b [0,0,0,0,0,0|3,0,1]=4 109 B9R0.2 CCOCCCOC(=O)C 521ac746c4773e46268f3042c9c9e91c [0,0,0,0,0,0|3,0,1]=4 110 B9R0.2 CCOCCCSC(=O)C c7c25084ef75859ffb4a847bdfcca873 [0,0,0,0,0,0|3,0,1]=4 111 B9R0.2 CCOCCNCC(=O)C c70f97bf0fb0c82014fed6cd7123cc8c [0,0,0,0,0,0|3,0,1]=4 112 B9R0.2 CCOCCNCC(=O)N 3b5f517f3d8c2ef294352600c8c9b118 [0,0,0,0,0,0|3,0,1]=4 113 B9R0.2 CCOCCNCC(=O)O fe73b6ce227ade0e3d2aa05ce85c310f [0,0,0,0,0,0|2,0,1]=3 114 B9R0.2 CCOCCOCC(=O)C f2abab147e228f0c5e3f118094e5ae3e [0,0,0,0,0,0|3,0,1]=4 115 B9R0.2 CCOCCOCC(=O)N 3ad6244a0d9450d5a5ee70e3e3bc3564 [0,0,0,0,0,0|3,0,1]=4 116 B9R0.2 CCOCCOCC(=O)O 8e941570ee8b640c0974e53e117ac279 [0,0,0,0,0,0|2,0,1]=3 117 B9R0.2 CCOCCOCS(=O)O fb882a20738b84ef6449d6e0c5b98fe6 [0,0,0,0,0,0|3,0,1]=4 118 B9R0.2 CCOCCSCC(=O)N b5b59951777a4ee8ec00ef909fa6de61 [0,0,0,0,0,0|3,0,1]=4 119 B9R0.2 CCOCNCCC(=O)O bb666c5cb5cf95e40e356d52c764ed2e [0,0,0,0,0,0|2,0,2]=4 120 B9R0.2 CCOCOCCC(=O)O 799c8960883074d9b3c3c270cb41a5e2 [0,0,0,0,0,0|2,0,2]=4 121 B9R0.2 CCSCCNCC(=O)C fad72d0b95c2a13f990a448abba15424 [0,0,0,0,0,0|3,0,1]=4 122 B9R0.2 CCSCCNCC(=O)N bccfd35d4715d090e7874f4dd415c742 [0,0,0,0,0,0|3,0,1]=4 123 B9R0.2 CCSCCNCC(=O)O d9a8c386d66ab795d4b3734359c61f59 [0,0,0,0,0,0|2,0,1]=3 124 B9R0.2 CCSCCOCC(=O)C 3e35f56d483cc24657d76c6dcc48c959 [0,0,0,0,0,0|3,0,1]=4 125 B9R0.2 CCSCCOCC(=O)N 0972d7ab007eadd2c654a3805821636b [0,0,0,0,0,0|3,0,1]=4 126 B9R0.2 CCSCCOCC(=O)O 7dcca9bd15b343f0086a7f56a35270d1 [0,0,0,0,0,0|2,0,1]=3 127 B9R0.2 CCSCCOCS(=O)O e5bd6861eda4deca7d76ab102e54b1cd [0,0,0,0,0,0|3,0,1]=4 128 B9R0.2 COCCCCNC(=O)C 4f652cda1775947bb169784843d0beab [0,0,0,0,0,0|3,0,1]=4 129 B9R0.2 COCCCNCC(=O)C e4b3d782ce022664507161af9801f346 [0,0,0,0,0,0|3,0,1]=4 130 B9R0.2 COCCCNCC(=O)N 253b9b2bf64092c65099b8983595bf88 [0,0,0,0,0,0|3,0,1]=4 131 B9R0.2 COCCCNCC(=O)O bb99ed747e50bacf9b72c7121db02d06 [0,0,0,0,0,0|2,0,1]=3 132 B9R0.2 COCCCOCC(=O)C b6c57de0e6612bd98a91c89c61f27b6a [0,0,0,0,0,0|3,0,1]=4 133 B9R0.2 COCCCOCC(=O)N 5aa082b1cc6858ba28beda9b2b4239f2 [0,0,0,0,0,0|3,0,1]=4 134 B9R0.2 COCCCOCC(=O)O ec52a61a98845b6bf28deaf0b8243269 [0,0,0,0,0,0|2,0,1]=3 135 B9R0.2 COCCCOCS(=O)O 30a0c66debfd98ba2944bef18623071e [0,0,0,0,0,0|3,0,1]=4 136 B9R0.2 COCCNCCC(=O)O 30d6a6eb8d13e89f1e6baa6cbd54590b [0,0,0,0,0,0|2,0,2]=4 137 B9R0.2 COCCOCCC(=O)O 25825b2e7473038d51278d15c2f9a50b [0,0,0,0,0,0|2,0,2]=4 138 B9R0.2 COCNC/C=C/C(=O)O 0fa427a6486acbb4d373241fedb0a10e [0,0,0,0,0,0|2,0,0]=2 139 B9R0.2 COCNCC#CC(=O)O 2d7890b6633f44ec9c2455a9abf7b600 [0,0,0,0,0,0|2,0,2]=4 140 B9R0.2 COCNCC=CC(=O)O 6df88093ebd1ff3e1f049de99a96ca09 [0,0,0,0,0,0|2,0,0]=2 141 B9R0.2 COCNCCCC(=O)O 64bd770f694cab9d693114f7ad1b17c7 [0,0,0,0,0,0|2,0,2]=4 142 B9R0.2 COCOC/C=C/C(=O)O 54f81693b4cd346c35998d208561a80c [0,0,0,0,0,0|2,0,0]=2 143 B9R0.2 COCOCC#CC(=O)O 666a8309680cb3811e622a1133a23c12 [0,0,0,0,0,0|2,0,2]=4 144 B9R0.2 COCOCC=CC(=O)O ad57febf4e8b32f0fa5c10f2425d4372 [0,0,0,0,0,0|2,0,0]=2 145 B9R0.2 CSCCCCNC(=O)C fe724d5efdffb6641eb31ec001ed77cf [0,0,0,0,0,0|3,0,1]=4 146 B9R0.2 CSCCCNCC(=O)C 7623274f83bea32ce27bf9f8465c7872 [0,0,0,0,0,0|3,0,1]=4 147 B9R0.2 CSCCCNCC(=O)N c17d1c1629e4c317e4eed7952120063f [0,0,0,0,0,0|3,0,1]=4 148 B9R0.2 CSCCCNCC(=O)O 1ee764be5870ee9d6a465670ba4c3b41 [0,0,0,0,0,0|2,0,1]=3 149 B9R0.2 CSCCCOCC(=O)C 5454163a2a07a4d14ee03189c1897a43 [0,0,0,0,0,0|3,0,1]=4 150 B9R0.2 CSCCCOCC(=O)N 2e0057c06fe69bc4ebfba942e29937f8 [0,0,0,0,0,0|3,0,1]=4 151 B9R0.2 CSCCCOCC(=O)O eaeded9547b84d8ef5e124eca9ee4fd2 [0,0,0,0,0,0|2,0,1]=3 152 B9R0.2 CSCCCOCS(=O)O ce4c6dcc5702edc8a1f1476bdf7c2f85 [0,0,0,0,0,0|3,0,1]=4 153 B9R0.2 CSCCNCCC(=O)O 808165acc4fc0c35acf13aa79babe8b9 [0,0,0,0,0,0|2,0,2]=4 154 B9R0.2 CSCCOCCC(=O)O bd1672f73e380f6fe93fe8a89c7b9218 [0,0,0,0,0,0|2,0,2]=4 155 B9R0.2 CSCNC/C=C/C(=O)O 7c226f0048c34d5bb97b0870c0873d3b [0,0,0,0,0,0|2,0,0]=2 156 B9R0.2 CSCNCC#CC(=O)O c96d606de47d4c3a5312f4c25d7c9b77 [0,0,0,0,0,0|2,0,2]=4 157 B9R0.2 CSCNCC=CC(=O)O b8b6d8f69bf1687618553648a2d97d05 [0,0,0,0,0,0|2,0,0]=2 158 B9R0.2 CSCNCCCC(=O)O 7eae2fdc26b7518d89f6059c70e462f4 [0,0,0,0,0,0|2,0,2]=4 159 B9R0.2 CSCOC/C=C/C(=O)O d0647dc68632bd0d847ac45201ae5914 [0,0,0,0,0,0|2,0,0]=2 160 B9R0.2 CSCOCC#CC(=O)O 1c62f84ae4020df1a235e921ae287599 [0,0,0,0,0,0|2,0,2]=4 161 B9R0.2 CSCOCC=CC(=O)O 37540b99283d1f3b0431d790f6db1d9c [0,0,0,0,0,0|2,0,0]=2 162 B9R0.2 N#CCCCNCC(=O)O 20724fe6156a1af746594ec9feab0e68 [0,0,0,0,0,0|2,0,2]=4 163 B9R0.2 N#CCCCOCC(=O)O 45398b7196d099d83805223b6a8c644f [0,0,0,0,0,0|2,0,2]=4 164 B9R0.2 N#CCNC/C=C/C(=O)O bcfb21d5d2a8a9bbb04a08b54fa9c3f9 [0,0,0,0,0,0|2,0,1]=3 165 B9R0.2 N#CCNCC=CC(=O)O 195ab10e2ffd0db9e1d32d78a2100a3f [0,0,0,0,0,0|2,0,1]=3 166 B9R0.2 N#CCOC/C=C/C(=O)O 16d40f5623b34b35f1288f397c27a7fa [0,0,0,0,0,0|2,0,1]=3 167 B9R0.2 N#CCOCC=CC(=O)O 99fca6548a92b079018e5952cba57a4f [0,0,0,0,0,0|2,0,1]=3 168 B9R0.2 NC(=O)CNCCCCCl 91b0d249813b9537c494010e0ff56806 [0,0,0,0,0,0|3,0,1]=4 169 B9R0.2 NC(=O)CNCCCCF 266a75105972b45ec53bdac26e4a879c [0,0,0,0,0,0|3,0,1]=4 170 B9R0.2 NC(=O)CNCCCCO 62ce2ccbca019bf132f148964623dade [0,0,0,0,0,0|3,0,1]=4 171 B9R0.2 NC(=O)CNCCCCS bd0394cf878f53354803b1f45e074f43 [0,0,0,0,0,0|3,0,1]=4 172 B9R0.2 NC(=O)COCCCCF 14dff0e8e926e633d931e978e32c3d09 [0,0,0,0,0,0|3,0,1]=4 173 B9R0.2 NC(=O)COCCCCS 287c58cd717f129e5b7b2b33f356b434 [0,0,0,0,0,0|3,0,1]=4 174 B9R0.2 O=C(O)/C=C/CNCCBr 9d755d7205a20dbe522663a089879b3a [0,0,0,0,0,0|2,0,0]=2 175 B9R0.2 O=C(O)/C=C/CNCCF b3131ced97b234b1289a5013b1e1c61c [0,0,0,0,0,0|2,0,0]=2 176 B9R0.2 O=C(O)/C=C/CNCCI ce769c9f0428b17440c76351c7e11247 [0,0,0,0,0,0|2,0,0]=2 177 B9R0.2 O=C(O)/C=C/CNCCO 93a89649b619dea89e7c11dfa7f7aa9d [0,0,0,0,0,0|2,0,0]=2 178 B9R0.2 O=C(O)/C=C/CNCCS 92abc05d6e84073df2dee1d135db5373 [0,0,0,0,0,0|2,0,0]=2 179 B9R0.2 O=C(O)/C=C/COCCF db5f7eff06251f8978f4f7d07daa01c2 [0,0,0,0,0,0|2,0,0]=2 180 B9R0.2 O=C(O)/C=C/COCCS 8a3013d354f5503b5682b578d368f0da [0,0,0,0,0,0|2,0,0]=2 181 B9R0.2 O=C(O)C#CCCOCF 497471b5d152ca87009def7b479dda07 [0,0,0,0,0,0|2,0,2]=4 182 B9R0.2 O=C(O)C#CCNCCF d916459483df03f83c79ddd8bf132a9a [0,0,0,0,0,0|2,0,2]=4 183 B9R0.2 O=C(O)C#CCNCCO 722522d57a7ff166b18ef92858ffaa37 [0,0,0,0,0,0|2,0,2]=4 184 B9R0.2 O=C(O)C#CCNCCS 84314e71a56c3f572abb0c5396cd84b3 [0,0,0,0,0,0|2,0,2]=4 185 B9R0.2 O=C(O)C#CCOCCF c436c74f3f0efb85e9b0d2a7bf2c9974 [0,0,0,0,0,0|2,0,2]=4 186 B9R0.2 O=C(O)C#CCOCCS 40f63cd55bd624dcf535531443872eb1 [0,0,0,0,0,0|2,0,2]=4 187 B9R0.2 O=C(O)C=CCNCCBr cf334d8d753b9386bfc69e4cfdf7de70 [0,0,0,0,0,0|2,0,0]=2 188 B9R0.2 O=C(O)C=CCNCCF 777a9c85e85fbc73694a5651e8be607e [0,0,0,0,0,0|2,0,0]=2 189 B9R0.2 O=C(O)C=CCNCCI 1b842602153f6c762c46e27cd24adee8 [0,0,0,0,0,0|2,0,0]=2 190 B9R0.2 O=C(O)C=CCNCCO 9ade19e93c03b7906f649b0ba2e47aaa [0,0,0,0,0,0|2,0,0]=2 191 B9R0.2 O=C(O)C=CCNCCS 6895181496316641d5fbe1ba3f2cbad9 [0,0,0,0,0,0|2,0,0]=2 192 B9R0.2 O=C(O)C=CCOCCF 6a1cced9ceb263fe986a90f4d7cb48be [0,0,0,0,0,0|2,0,0]=2 193 B9R0.2 O=C(O)C=CCOCCS 129f928d26e6fb7bee7caf0418eb6896 [0,0,0,0,0,0|2,0,0]=2 194 B9R0.2 O=C(O)CCCCNCF f1da66cc537567fc1409c1b8a001e59a [0,0,0,0,0,0|2,0,2]=4 195 B9R0.2 O=C(O)CCCCNCO a429407eaab02fb376aa947f0797c09f [0,0,0,0,0,0|2,0,2]=4 196 B9R0.2 O=C(O)CCCCOCF 272aa66e75d0e45407420628e364d2e7 [0,0,0,0,0,0|2,0,2]=4 197 B9R0.2 O=C(O)CCCNCCF 0ab78b72bdcdd94b4fcf99e3ac56449a [0,0,0,0,0,0|2,0,2]=4 198 B9R0.2 O=C(O)CCCNCCI 7033442a1b0a8ae6af132618bc1c6df8 [0,0,0,0,0,0|2,0,2]=4 199 B9R0.2 O=C(O)CCCNCCO aaad7be98a5cc430b61cd9b864cc9997 [0,0,0,0,0,0|2,0,2]=4 200 B9R0.2 O=C(O)CCCNCCS ec86078ea056d643545478c3e7a92429 [0,0,0,0,0,0|2,0,2]=4 201 B9R0.2 O=C(O)CCCOCCS d487913876e55d03c8afd0183250981c [0,0,0,0,0,0|2,0,2]=4 202 B9R0.2 O=C(O)CCNCCCCl 1f163366118bc570454513ac2f5e8fbb [0,0,0,0,0,0|2,0,2]=4 203 B9R0.2 O=C(O)CCNCCCF a17270c122f9805cda800592e5e91910 [0,0,0,0,0,0|2,0,2]=4 204 B9R0.2 O=C(O)CCNCCCO 11321b019c242b6c5e41fa5801169200 [0,0,0,0,0,0|2,0,2]=4 205 B9R0.2 O=C(O)CCNCCCS 9bd4ee04c37720e288052c22d2384dc9 [0,0,0,0,0,0|2,0,2]=4 206 B9R0.2 O=C(O)CCOCCCF 20d201b31423e454de60bb0a61187076 [0,0,0,0,0,0|2,0,2]=4 207 B9R0.2 O=C(O)CCOCCCS 63a015d01ea8847197749ff6208e8461 [0,0,0,0,0,0|2,0,2]=4 208 B9R0.2 O=C(O)CNCCCCCl 738ccc3cf8a76961c1007f23612565a7 [0,0,0,0,0,0|2,0,1]=3 209 B9R0.2 O=C(O)CNCCCCF 87df936d60601b25837503e691186b45 [0,0,0,0,0,0|2,0,1]=3 210 B9R0.2 O=C(O)CNCCCCO 8e5b81d8439207e41841bfd4f00422f6 [0,0,0,0,0,0|2,0,1]=3 211 B9R0.2 O=C(O)CNCCCCS 453564c18d03243292ce248980af0648 [0,0,0,0,0,0|2,0,1]=3 212 B9R0.2 O=C(O)COCCCCF 12acb17f17ee14046729a98f278631b2 [0,0,0,0,0,0|2,0,1]=3 213 B9R0.2 O=C(O)COCCCCS fb95717e8a0986d68c391e1936081030 [0,0,0,0,0,0|2,0,1]=3 214 B9R0.2 O=C(O)COCCNCF 902de3e0c3be70f497e3e8e70e7c0f34 [0,0,0,0,0,0|3,0,1]=4 215 B9R0.2 O=C(O)COCCNCO 4781d798b4b2130de47b72b21dee42b8 [0,0,0,0,0,0|3,0,1]=4 216 B9R0.2 O=C(O)COCCOCF 0f4018af36089db8a76afc74213c9dbd [0,0,0,0,0,0|3,0,1]=4 217 B9R0.2 O=C(O)CSCCNCF 51afe936143cd16b6a26fab50de7edfe [0,0,0,0,0,0|3,0,1]=4 218 B9R0.2 O=C(O)CSCCNCO b8a631e6ee072d2b9882ae854b7ed0da [0,0,0,0,0,0|3,0,1]=4 219 B9R0.2 O=CCCCNCC(=O)O 00744a469b104f3f873a6267c7e8ee73 [0,0,0,0,0,0|2,0,2]=4 220 B9R0.2 O=CCCCOCC(=O)O b0cdc41918441c731c2718b00d81dcd2 [0,0,0,0,0,0|2,0,2]=4 221 B9R0.2 O=CCNC/C=C/C(=O)O 0560a7cc80ce2066b7203fc1ceaf2098 [0,0,0,0,0,0|2,0,1]=3 222 B9R0.2 O=CCNCC=CC(=O)O 0850b99cd9ada6f722f3655e709b2c39 [0,0,0,0,0,0|2,0,1]=3 223 B9R0.2 O=CCOC/C=C/C(=O)O 08e2e473a556aa712c3a07a614d12573 [0,0,0,0,0,0|2,0,1]=3 224 B9R0.2 O=CCOCC=CC(=O)O 57edcebe4ea005db580dd8770b232662 [0,0,0,0,0,0|2,0,1]=3 225 B9R0.2 O=S(O)COCCCCF 87791b3ea13bba76918751e06f5547fc [0,0,0,0,0,0|3,0,1]=4 226 B8R0.4 C#CCOC/C=C/C=O 74b9ee133766e2e1923522b8ceef1519 [1,0,0,0,0,0|1,0,2]=4 227 B8R0.4 C/C=C/C=C/COCC 48048cc52dfb080561bace8cd1da333e [1,0,0,0,0,0|2,0,1]=4 228 B8R0.4 C/C=C/CCCOCC 29e30394c7c806aedb2c26dcf7eb5a9a [1,0,0,0,0,0|2,0,1]=4 229 B8R0.4 C/C=C/CCOCCC f366940c9b8e42845e1a3a54e7e58d66 [1,0,0,0,0,0|2,0,1]=4 230 B8R0.4 C/C=C/CNCCCC ce13f55ef8680a347af127fe05187ac2 [1,0,0,0,0,0|2,0,1]=4 231 B8R0.4 C/C=C/COCCCC 386b5fceec7ebb1bc8f3283962203eeb [1,0,0,0,0,0|2,0,1]=4 232 B8R0.4 C/C=C\CCCOCC 4d6755ca0163dc89f5ab91481d285f2d [1,0,0,0,0,0|2,0,1]=4 233 B8R0.4 C/C=C\CNCCCC b9e7ddbf697616b15bea928cc6394f2f [1,0,0,0,0,0|2,0,1]=4 234 B8R0.4 C/C=C\COCCCC c8285cb0cc053e0461398a5e6fb02665 [1,0,0,0,0,0|2,0,1]=4 235 B8R0.4 C=C/C=C/CCNCC abe888d93c90720b4bafeddab30018c6 [1,0,0,0,0,0|2,0,0]=3 236 B8R0.4 C=C/C=C/CCNCF 1e65d032365f354a4b51175e978bf93e [1,0,0,0,0,0|3,0,0]=4 237 B8R0.4 C=C/C=C/CCNCO cc62028f0291dc61382b8a1bf0b8ba53 [1,0,0,0,0,0|3,0,0]=4 238 B8R0.4 C=CCNCCCCC 011aacf19cd9f1faf70789f3f05aca79 [1,0,0,0,0,0|2,0,1]=4 239 B8R0.4 C=CCOC/C=C/C=O a4a267a2d5f3d6156c40ca957d34238e [1,0,0,0,0,0|1,0,2]=4 240 B8R0.4 C=CCOCCCCC fcddc90e6084facec8d1d12eaaa08ee7 [1,0,0,0,0,0|2,0,1]=4 241 B8R0.4 CC/C=C/CCOCC 4aff7b2c30c18c7ed71e09741dd9cd03 [1,0,0,0,0,0|2,0,1]=4 242 B8R0.4 CC/C=C/CNCCC 7b76f5221e9f8d321a930b2cc78f0465 [1,0,0,0,0,0|2,0,1]=4 243 B8R0.4 CC/C=C/COCCC 7c99577e2748989634a614f6f829f70a [1,0,0,0,0,0|2,0,1]=4 244 B8R0.4 CC/C=C\CCOCC a415407c2a3f74060244fd9fe72f26f2 [1,0,0,0,0,0|2,0,1]=4 245 B8R0.4 CC/C=C\COCCC bfdbd41336075fd3cb4c9e9e3471925b [1,0,0,0,0,0|2,0,1]=4 246 B8R0.4 CC=C=CCCOCC 6bee7d8955b0da11354efc3ae62c1cea [1,0,0,0,0,0|2,0,1]=4 247 B8R0.4 CC=CC=CCOCC 6e3d8f43dbdb54d7ac9426c55e4b046b [1,0,0,0,0,0|2,0,1]=4 248 B8R0.4 CC=CCCCOCC 5c3740efae5691bcaf9a76740bada28e [1,0,0,0,0,0|2,0,1]=4 249 B8R0.4 CC=CCNCCCC 6c09d356389ec0afd4d9be0c8efbc370 [1,0,0,0,0,0|2,0,1]=4 250 B8R0.4 CC=CCOCCCC 071b2f24d4974b0b4fcd0a0845303916 [1,0,0,0,0,0|2,0,1]=4 251 B8R0.4 CCCCCCNC=O e5c1cbb738d0eb89b1d21f4508106baa [1,0,0,0,0,0|1,0,1]=3 252 B8R0.4 CCCCCCNCO fee4d07ce0e7c74e0c9bf65bf9405250 [1,0,0,0,0,0|1,0,2]=4 253 B8R0.4 CCCCCNCC=O 8ada82f0f40b5a52493af2d9d7bdb07d [1,0,0,0,0,0|1,0,1]=3 254 B8R0.4 CCCCCNCCO f9b71f37f65a5dd4fd3f51e1e821c5a0 [1,0,0,0,0,0|1,0,2]=4 255 B8R0.4 CCCCCOCC=O 95ddace22ad0ae385e1b30e1a33c697f [1,0,0,0,0,0|1,0,1]=3 256 B8R0.4 CCCCNC/C=C/Cl aefc90227738a0a04d85ff4e3fb94a96 [1,0,0,0,0,0|2,0,1]=4 257 B8R0.4 CCCCNC/C=C\Cl 95b879f76fb0ff759a3b6bfdbdb337b9 [1,0,0,0,0,0|2,0,1]=4 258 B8R0.4 CCCCNC/C=C\O 030dd5950e83ae29a206c0c1dbd703ac [1,0,0,0,0,0|1,0,1]=3 259 B8R0.4 CCCCNCCC=O cc5d699181445c3bad4f64b752b1821b [1,0,0,0,0,0|1,0,2]=4 260 B8R0.4 CCCCOC/C=C/Cl 568b090b21b75e4cb48d2918836f8eba [1,0,0,0,0,0|2,0,1]=4 261 B8R0.4 CCCCOC/C=C\Cl 9d90a4fa764ef1d03091eed959904ce8 [1,0,0,0,0,0|2,0,1]=4 262 B8R0.4 CCCCOCC=CCl 0f3a0d8674fc69f02691e3930c83fca6 [1,0,0,0,0,0|2,0,1]=4 263 B8R0.4 CCCCOCCC=O 72658ceb532935f03c9214743d27894e [1,0,0,0,0,0|1,0,2]=4 264 B8R0.4 CCCNCC=CC#N 00d9199c497aa50d1808abb61382e50a [1,0,0,0,0,0|2,0,1]=4 265 B8R0.4 CCCNCCCC=O 7ef3dd3b1a5b87258ceb3eef303de84a [1,0,0,0,0,0|1,0,2]=4 266 B8R0.4 CCCOC/C=C/C=O 88e4ab35b9a1c04df8f17a2331d70828 [1,0,0,0,0,0|1,0,0]=2 267 B8R0.4 CCCOCC=CC#N 1f16570674240bf3bb4253ebe2ac9ad8 [1,0,0,0,0,0|2,0,1]=4 268 B8R0.4 CCCOCCCC=O 36a3d4a82e0ed496435ff747ce5facc5 [1,0,0,0,0,0|1,0,2]=4 269 B8R0.4 CCCOCCNC=O 698de65c018187ef4a1695deaa4ff61b [1,0,0,0,0,0|2,0,1]=4 270 B8R0.4 CCCOCCOC=O 55073fa6df391382112376726b3f158f [1,0,0,0,0,0|2,0,1]=4 271 B8R0.4 CCOCCCCC=O d263cb2a99b9780b9b3058ad6e318449 [1,0,0,0,0,0|1,0,2]=4 272 B8R0.4 CCOCCCNC=O 0935cc0e22c341f4c068e5af7412e4dc [1,0,0,0,0,0|2,0,1]=4 273 B8R0.4 CCOCCNCC=O 9b6362b955c81d6a818d07f93060ce81 [1,0,0,0,0,0|2,0,1]=4 274 B8R0.4 CCOCCOCC=O 0f0b31cfd13d5d1ef62013c36758792f [1,0,0,0,0,0|2,0,1]=4 275 B8R0.4 CCSCCNCC=O 8c2eb03b3d86184cc927f5d4b3c77ac6 [1,0,0,0,0,0|2,0,1]=4 276 B8R0.4 CCSCCOCC=O 6eeca61611fda4d213ea1a5d8f547156 [1,0,0,0,0,0|2,0,1]=4 277 B8R0.4 COCCCCNC=O 6e2b3dcc61de1f0bdb65d861415360be [1,0,0,0,0,0|2,0,1]=4 278 B8R0.4 COCCCNCC=O 79f3770a5332c7aa2006f56f8caadfb2 [1,0,0,0,0,0|2,0,1]=4 279 B8R0.4 COCCCOCC=O 0c2e972178898bc6d1628b2f4858b03c [1,0,0,0,0,0|2,0,1]=4 280 B8R0.4 COCCNC/C=C\O 13bebf1afca106dd27e870525bacfbef [1,0,0,0,0,0|2,0,1]=4 281 B8R0.4 COCOC/C=C/C=O 06cfd63a5d69fca9e362912caf3049ad [1,0,0,0,0,0|2,0,0]=3 282 B8R0.4 CSCCCCNC=O c239594501a90b4a128618f0c7081c5b [1,0,0,0,0,0|2,0,1]=4 283 B8R0.4 CSCCCNCC=O 639a0134481756177dfb6e8b26f25146 [1,0,0,0,0,0|2,0,1]=4 284 B8R0.4 CSCCCOCC=O 9aff7a336ececb72c4fe588f28037e70 [1,0,0,0,0,0|2,0,1]=4 285 B8R0.4 CSCCNC/C=C\O 681ef3c26cbbe7632f3156f1e9d2b2b7 [1,0,0,0,0,0|2,0,1]=4 286 B8R0.4 CSCOC/C=C/C=O 8214affd03209cc6c710ec092140e7af [1,0,0,0,0,0|2,0,0]=3 287 B8R0.4 N#CCOC/C=C/C=O 588aa3990d2d73eeef6097bb37a6d12f [1,0,0,0,0,0|2,0,1]=4 288 B8R0.4 O/C=C\CNCCCCl db29be0ef4ab6e7b81b2d735c091af58 [1,0,0,0,0,0|2,0,1]=4 289 B8R0.4 O/C=C\CNCCCO 14ada9ed5b23c992c320c0d37acff264 [1,0,0,0,0,0|2,0,1]=4 290 B8R0.4 O=C/C=C/COCC=O 01dab094aad874d8c465dab629dd0e4d [1,0,0,0,0,0|2,0,1]=4 291 B8R0.4 O=C/C=C/COCCF 8b3ecdcae3ced2a7cbe5cc5356a25a84 [1,0,0,0,0,0|2,0,0]=3 292 B8R0.4 O=C/C=C/COCCS c79988ae7800ad8f8ff2a528a56e3d57 [1,0,0,0,0,0|2,0,0]=3 293 B8R0.4 O=CCNCCCCCl 4eb32c99e72aaf8f46243cc4018004a5 [1,0,0,0,0,0|2,0,1]=4 294 B8R0.4 O=CCNCCCCO 7540d6cb2ce4253a8b70f8723f610795 [1,0,0,0,0,0|2,0,1]=4 295 B8R0.4 O=CCNCCCCS 87cb67d97c5146189dcb0b12c7de3eeb [1,0,0,0,0,0|2,0,1]=4 296 B8R0.4 O=CCOCCCCF 1f1ad11e7509bf0f0a0f4a0a60b01a6b [1,0,0,0,0,0|2,0,1]=4 297 B8R0.4 O=CCOCCCCS 65f9d64787faff90f142a6384e5b9a2f [1,0,0,0,0,0|2,0,1]=4 298 B8R0.4 O=CNCCCCCCl 66cea552e3781af1cb79b403cbf86bb3 [1,0,0,0,0,0|2,0,1]=4 299 B8R0.4 O=CNCCCCCO d786d8c3b7589bade0484b0d1e3b2e3b [1,0,0,0,0,0|2,0,1]=4 300 B8R0.7 CC(=O)NCCCCCl ca2b0e10b9c67d6c9ac8f4d9ab4c2b88 [1,0,0,0,0,0|3,0,0]=4 301 B8R0.7 CC(=O)NCCCCO 57936c738ed3f822f33ee01b6260a94e [1,0,0,0,0,0|3,0,0]=4 302 B8R0.7 CC(=O)NCCCCS c05ad9ce2696d1887a7029e678ac4e5e [1,0,0,0,0,0|3,0,0]=4 303 B8R0.7 CCCCCNC(=O)C da50d5d5f7d2f7c8f9763330c7139773 [1,0,0,0,0,0|2,0,0]=3 304 B8R0.7 CCCCNCC(=O)C 8dbf7bfa43a4d98486dbc3615b11d498 [1,0,0,0,0,0|2,0,1]=4 305 B8R0.7 CCCCNCC(=O)N 69585f0b9c8687120ac53dbaccd84fc0 [1,0,0,0,0,0|2,0,1]=4 306 B8R0.7 CCCCNCC(=O)O a8de0a477de91420770c0a272ef6f881 [1,0,0,0,0,0|1,0,1]=3 307 B8R0.7 CCCCOCC(=O)C badc4ff846862f74785a1abd49004213 [1,0,0,0,0,0|2,0,1]=4 308 B8R0.7 CCCCOCC(=O)N 34eb6fb5b7f360ec9fe33699fca54d51 [1,0,0,0,0,0|2,0,1]=4 309 B8R0.7 CCCCOCC(=O)O a087235172e11e6141c3e38f9ce4e4ce [1,0,0,0,0,0|1,0,1]=3 310 B8R0.7 CCCCOCS(=O)O 6325931987c0950b79bb089ebdc78c41 [1,0,0,0,0,0|2,0,1]=4 311 B8R0.7 CCCNC/C=C(/C)\I a77ce06125d9c73831e62376d6be0fc0 [1,0,0,0,0,0|3,0,0]=4 312 B8R0.7 CCCNC/C=C(\C)/Cl 126e03eaad5b55a6a1e28418959632f2 [1,0,0,0,0,0|3,0,0]=4 313 B8R0.7 CCCNCC=C(C)C 029a389e0c61ae0bd25944f993ae298b [1,0,0,0,0,0|3,0,0]=4 314 B8R0.7 CCCNCC=C(C)Cl efaac4fe73efd3293fd70f693c290d56 [1,0,0,0,0,0|3,0,0]=4 315 B8R0.7 CCCNCC=C(C)I a5752b317cc0800d3b92ad72ab74de8f [1,0,0,0,0,0|3,0,0]=4 316 B8R0.7 CCCNCC=C(Cl)Cl a28bbaeb77f480d6b1b0308eb964a955 [1,0,0,0,0,0|3,0,0]=4 317 B8R0.7 CCCNCCC(=O)C d627d93187ac3c2b4a5879a831f73b21 [1,0,0,0,0,0|2,0,1]=4 318 B8R0.7 CCCNCCC(=O)N 8a2306560cfefa8994234df81900436d [1,0,0,0,0,0|2,0,1]=4 319 B8R0.7 CCCNCCC(=O)O 47226423aa5b665923516680070294a2 [1,0,0,0,0,0|1,0,1]=3 320 B8R0.7 CCCNCCS(=O)O 9ce87a12381c4b5cfe3ec1783a75d72a [1,0,0,0,0,0|2,0,1]=4 321 B8R0.7 CCCNCOC(=O)C 9a03e4459c640878e7dba532d4a06502 [1,0,0,0,0,0|3,0,0]=4 322 B8R0.7 CCCNCSC(=O)N 21ecf184b2a8dc86141aa6b38ac15f2d [1,0,0,0,0,0|3,0,0]=4 323 B8R0.7 CCCOC/C=C(/C)\Cl e5b94c0880532c7df7e87dea267bb3ef [1,0,0,0,0,0|3,0,0]=4 324 B8R0.7 CCCOC/C=C(/C)\I 1101d7d371ceb7c7bf005fcd8d3d5521 [1,0,0,0,0,0|3,0,0]=4 325 B8R0.7 CCCOC/C=C(\C)/Cl 3b21530ea6646e5380074ec64c6c9e4b [1,0,0,0,0,0|3,0,0]=4 326 B8R0.7 CCCOCC=C(C)C b30e82a8d352d0695bc34774c65bba1f [1,0,0,0,0,0|3,0,0]=4 327 B8R0.7 CCCOCC=C(C)Cl 4a4c390369b94edf3a434bd7810fee83 [1,0,0,0,0,0|3,0,0]=4 328 B8R0.7 CCCOCC=C(C)I 1c329db9da6fd808a5be639e1c562867 [1,0,0,0,0,0|3,0,0]=4 329 B8R0.7 CCCOCC=C(Cl)Cl 0d884fb615940692bddcdbe164ef960a [1,0,0,0,0,0|3,0,0]=4 330 B8R0.7 CCCOCCC(=O)C 8597bbc8bbaf08f1a613a7aab0165313 [1,0,0,0,0,0|2,0,1]=4 331 B8R0.7 CCCOCCC(=O)N c20536b6c03bcadb1169aacd62e340d9 [1,0,0,0,0,0|2,0,1]=4 332 B8R0.7 CCCOCCC(=O)O 65883243788987d42449403fa915dd7d [1,0,0,0,0,0|1,0,1]=3 333 B8R0.7 CCCOCNC(=O)C 6e99cd8c316495881ee605429ae8a169 [1,0,0,0,0,0|3,0,0]=4 334 B8R0.7 CCCOCNC(=O)N 0c3353a650f6a23c649d3b49f74f0755 [1,0,0,0,0,0|3,0,0]=4 335 B8R0.7 CCCOCOC(=O)C 0e004ff978c0c5c886108e25bd8d5e38 [1,0,0,0,0,0|3,0,0]=4 336 B8R0.7 CCCOCSC(=O)N a8d0da169e47db6ff5658c749b630f62 [1,0,0,0,0,0|3,0,0]=4 337 B8R0.7 CCNC/C=C/C(=O)O d0499e3991f67013ba9a4ec4c13f446c [1,0,0,0,0,0|1,0,0]=2 338 B8R0.7 CCNCC#CC(=O)O 451eb2c163912cae12c5d5f7dc6a6856 [1,0,0,0,0,0|1,0,2]=4 339 B8R0.7 CCNCC=CC(=O)O e5cbdf981b4630f2923b926612b3f826 [1,0,0,0,0,0|1,0,0]=2 340 B8R0.7 CCNCCCC(=O)N d2cce21c7501504eb75a33266b0e5999 [1,0,0,0,0,0|2,0,1]=4 341 B8R0.7 CCNCCCC(=O)O 9ad241b55443dd68da66ff4694ff3500 [1,0,0,0,0,0|1,0,1]=3 342 B8R0.7 CCNCCNC(=O)C 826d20b3d4f7b158aa9991d8c5f577d5 [1,0,0,0,0,0|3,0,0]=4 343 B8R0.7 CCOC/C=C/C(=O)O a4d627c90e9b839f6af237bc31e6e15a [1,0,0,0,0,0|1,0,0]=2 344 B8R0.7 CCOCC#CC(=O)O c98c8c0a09bdc73b6fd1ff1e3aa38396 [1,0,0,0,0,0|1,0,2]=4 345 B8R0.7 CCOCC=CC(=O)O fa82522b856262d89b9f085f9d67d294 [1,0,0,0,0,0|1,0,0]=2 346 B8R0.7 CCOCCCC(=O)C d3d73835b0002e0a803c11778e6c42f8 [1,0,0,0,0,0|2,0,1]=4 347 B8R0.7 CCOCCCC(=O)N 32b0b6c66e42630050975d53410c1100 [1,0,0,0,0,0|2,0,1]=4 348 B8R0.7 CCOCCNC(=O)C 364422f97eb926237421a47e55dbdc32 [1,0,0,0,0,0|3,0,0]=4 349 B8R0.7 CCOCCNC(=O)N 1d69caaced26be13153afb55af020221 [1,0,0,0,0,0|3,0,0]=4 350 B8R0.7 CCOCCOC(=O)C 65c3fc557763a3804d7e247a1996cb75 [1,0,0,0,0,0|3,0,0]=4 351 B8R0.7 CCOCNCC(=O)O 0cadae74986469dc80946ca8e9bb1b07 [1,0,0,0,0,0|2,0,1]=4 352 B8R0.7 CCSCCNC(=O)C 8c3ea9957cae597313583e7951afded4 [1,0,0,0,0,0|3,0,0]=4 353 B8R0.7 COCCCNC(=O)C 526fcf80a030c8c3912a63af41d08c51 [1,0,0,0,0,0|3,0,0]=4 354 B8R0.7 COCCNCC(=O)O 5ce813bb3dda5e9060aa6f61548b6a1a [1,0,0,0,0,0|2,0,1]=4 355 B8R0.7 COCCOCC(=O)O 003ae303058ace8e592ced58cf4e05e5 [1,0,0,0,0,0|2,0,1]=4 356 B8R0.7 COCNCCC(=O)O 6cfc61f9f7468a99c69b381c4067bdfb [1,0,0,0,0,0|2,0,1]=4 357 B8R0.7 COCOCCC(=O)O 1302d1ad564a958c9ef097b350c13897 [1,0,0,0,0,0|2,0,1]=4 358 B8R0.7 CSCCCNC(=O)C f4b4c7d4d652abb45039c5639b312853 [1,0,0,0,0,0|3,0,0]=4 359 B8R0.7 CSCCNCC(=O)O f1b95c9de1a925845087f31bd4bae7df [1,0,0,0,0,0|2,0,1]=4 360 B8R0.7 CSCCOCC(=O)O db65161c67ff612db3780dea90f2a2f8 [1,0,0,0,0,0|2,0,1]=4 361 B8R0.7 CSCNCCC(=O)O 098fcb068b20e260bdec4c343b4671e9 [1,0,0,0,0,0|2,0,1]=4 362 B8R0.7 CSCOCCC(=O)O 729e28748e361be58000ab33275c6b91 [1,0,0,0,0,0|2,0,1]=4 363 B8R0.7 N#CNC/C=C/C(=O)O 917c035ac4501d7b94c08fd15eb36b27 [1,0,0,0,0,0|2,0,1]=4 364 B8R0.7 N#CNCC=CC(=O)O 36157bd0fc8f8536ac65283b8d7be8b2 [1,0,0,0,0,0|2,0,1]=4 365 B8R0.7 O=C(O)/C=C/CNCF bf1a500decef8c303d3f6a742fbbad66 [1,0,0,0,0,0|2,0,0]=3 366 B8R0.7 O=C(O)/C=C/CNCO 636d80fa901fc7691204fa365c3594e9 [1,0,0,0,0,0|2,0,0]=3 367 B8R0.7 O=C(O)/C=C/COCF ebed56b3d2d90acdfdb36d8c22e5f4aa [1,0,0,0,0,0|2,0,0]=3 368 B8R0.7 O=C(O)C=CCNCF 3f514297543f3f20f01aa027e709b899 [1,0,0,0,0,0|2,0,0]=3 369 B8R0.7 O=C(O)C=CCNCO d0e67b57ae84da8c5e0237ae3ec49a86 [1,0,0,0,0,0|2,0,0]=3 370 B8R0.7 O=C(O)C=CCOCF ff531e5fc8f016fd8f892ee935d373af [1,0,0,0,0,0|2,0,0]=3 371 B8R0.7 O=C(O)CCCNCF 670cea18bd6ba2b81ceecb2577e1a7ab [1,0,0,0,0,0|2,0,1]=4 372 B8R0.7 O=C(O)CCCNCO 6267c5eeb1933064d917e4e814ad9722 [1,0,0,0,0,0|2,0,1]=4 373 B8R0.7 O=C(O)CCNCCBr 29cc353153febf3a8c067ebc7d4659a9 [1,0,0,0,0,0|2,0,1]=4 374 B8R0.7 O=C(O)CCNCCF cb03b3b8d9be6ed00316ec8fa58ea22d [1,0,0,0,0,0|2,0,1]=4 375 B8R0.7 O=C(O)CCNCCI 1fb0bb507aa993f2a3522c41edc93100 [1,0,0,0,0,0|2,0,1]=4 376 B8R0.7 O=C(O)CCNCCO 7fda1e67c117139da08349807b03ae85 [1,0,0,0,0,0|2,0,1]=4 377 B8R0.7 O=C(O)CCNCCS e7b12ac116347e188c56484ce05a8410 [1,0,0,0,0,0|2,0,1]=4 378 B8R0.7 O=C(O)CCOCCF fcf96ee60132be28c36745264cbf0317 [1,0,0,0,0,0|2,0,1]=4 379 B8R0.7 O=C(O)CCOCCS 61b8e7b02af12e03f8a3747e8eb16780 [1,0,0,0,0,0|2,0,1]=4 380 B8R0.7 O=C(O)CNCCCCl 6975978044558bce000c0ca780485b76 [1,0,0,0,0,0|2,0,1]=4 381 B8R0.7 O=C(O)CNCCCF 69db0caef1002e94499cf44277421fb3 [1,0,0,0,0,0|2,0,1]=4 382 B8R0.7 O=C(O)CNCCCO 15bb30af3bbf0b9503efbda60ef38d51 [1,0,0,0,0,0|2,0,1]=4 383 B8R0.7 O=C(O)CNCCCS 69374183d65b27382aaeea8dfc3bb03c [1,0,0,0,0,0|2,0,1]=4 384 B8R0.7 O=C(O)COCCCF da2984b4de14bdafc90cabbb14713902 [1,0,0,0,0,0|2,0,1]=4 385 B8R0.7 O=C(O)COCCCS b637a7d4aac2c64b554918898eb44811 [1,0,0,0,0,0|2,0,1]=4 386 B10R0.3 C#CCN(C)C/C=C/C(=O)O 20bea24943d3c3d0d964319d6c003510 [0,1,0,0,0,0|1,0,2]=4 387 B10R0.3 C#CCN(C)CC=CC(=O)O 057b86c8c0911a45f63165fba08ec70f [0,1,0,0,0,0|1,0,2]=4 388 B10R0.3 C=CCN(C)C/C=C/C(=O)O 05d709dc615e04cb289b4ddd5395be90 [0,1,0,0,0,0|1,0,2]=4 389 B10R0.3 C=CCN(C)CC=CC(=O)O 0c1e692592ddc62f0224254ff6cb1d5d [0,1,0,0,0,0|1,0,2]=4 390 B10R0.3 CC(CCO)CNCC(=O)O 84617bba6207aac5ac0f46051c943eee [0,1,0,0,0,0|2,0,1]=4 391 B10R0.3 CCCC(=O)CNCC(=O)O f6744a3232fc9ea52fb0c8708fe4d8b3 [0,1,0,0,0,0|1,0,2]=4 392 B10R0.3 CCCC(C)CNCC(=O)C 507396644edd8a0794e79c3f4b2dcbaa [0,1,0,0,0,0|2,0,1]=4 393 B10R0.3 CCCC(C)CNCC(=O)N ddfe63c45330b4f64973dec5935eb8f9 [0,1,0,0,0,0|2,0,1]=4 394 B10R0.3 CCCC(C)CNCC(=O)O 2ffba48436204d35e7fcc4ce1ac9fb61 [0,1,0,0,0,0|1,0,1]=3 395 B10R0.3 CCCC(C)COCC(=O)C 680a9eb06801e2e1ff47a08475f12e8f [0,1,0,0,0,0|2,0,1]=4 396 B10R0.3 CCCC(C)COCC(=O)N 79d4f5f0a869cd8f1dc1c51cc7425632 [0,1,0,0,0,0|2,0,1]=4 397 B10R0.3 CCCC(C)COCC(=O)O 4dbfc1e9ebcaa413b8c560b42d86399d [0,1,0,0,0,0|1,0,1]=3 398 B10R0.3 CCCC(C)COCS(=O)O 5df686b7c5023ccf9053090e954242a3 [0,1,0,0,0,0|2,0,1]=4 399 B10R0.3 CCCC(C)NCCC(=O)O d544e52962f774e7b0c43f59caac1512 [0,1,0,0,0,0|1,0,2]=4 400 B10R0.3 CCCC(C)OCCC(=O)O cd7765db58067b8d271ab27a4046a51d [0,1,0,0,0,0|1,0,2]=4 401 B10R0.3 CCCC(O)CNCC(=O)N cb6ee76db4d7fc0aa6c023911b2d21b3 [0,1,0,0,0,0|2,0,1]=4 402 B10R0.3 CCCC(O)CNCC(=O)O 6185231d2d1cdd5381a69894c5ca9dde [0,1,0,0,0,0|1,0,1]=3 403 B10R0.3 CCCN(C)C/C=C/C(=O)O 16706090ace252ea30acc0270329a425 [0,1,0,0,0,0|1,0,0]=2 404 B10R0.3 CCCN(C)CC=CC(=O)O e55f2dc918ec3cc962fd1fa8ea3151f8 [0,1,0,0,0,0|1,0,0]=2 405 B10R0.3 CCCN(C)CCCC(=O)O 9751eaee21e111646019663fdf1bce9f [0,1,0,0,0,0|1,0,2]=4 406 B10R0.3 CCC[C@@H](C)OCCC(=O)O 44d33eae61d440fb5b7c12da3bf4ec3d [0,1,0,0,0,0|1,0,2]=4 407 B10R0.3 CCC[C@H](C)NCCC(=O)O bbc61fde1fc94950995749984d9e588f [0,1,0,0,0,0|1,0,2]=4 408 B10R0.3 CCC[C@H](C)OCCC(=O)O 0890830da3e1d264cc404d292d58748e [0,1,0,0,0,0|1,0,2]=4 409 B10R0.3 CCOC(C)CNCC(=O)O e9c3649a42578b1b1ebf161cc8f5de97 [0,1,0,0,0,0|2,0,1]=4 410 B10R0.3 CCOC(C)COCC(=O)O c71b783608e1cfb51637c1737d0ac103 [0,1,0,0,0,0|2,0,1]=4 411 B10R0.3 CN(C/C=C/C(=O)O)CCF 3be2c8fbc40c76f5a5ba0812d2833e91 [0,1,0,0,0,0|2,0,0]=3 412 B10R0.3 CN(C/C=C/C(=O)O)CCO 8c5a8a6368500de354c7f737d8eb6ef9 [0,1,0,0,0,0|2,0,0]=3 413 B10R0.3 CN(CC#N)C/C=C/C(=O)O 93213af28c112f3de5ecba0d21a29685 [0,1,0,0,0,0|2,0,1]=4 414 B10R0.3 CN(CC#N)CC=CC(=O)O 8250d48f2a6480c88eda0ed629b240e3 [0,1,0,0,0,0|2,0,1]=4 415 B10R0.3 CN(CC=CC(=O)O)CCF 68f88203b8ebfb43978be67e87c64db3 [0,1,0,0,0,0|2,0,0]=3 416 B10R0.3 CN(CC=CC(=O)O)CCO 0c8341340cefb9ef8caa0e5fc27bb233 [0,1,0,0,0,0|2,0,0]=3 417 B10R0.3 COCC(O)CNCC(=O)O 52119a08736932bcdc1397e33d3d35d6 [0,1,0,0,0,0|2,0,1]=4 418 B10R0.3 COC[C@@H](O)CNCC(=O)O 7bd50784303fbb3f6c66531490522002 [0,1,0,0,0,0|2,0,1]=4 419 B10R0.3 O=C(O)CNC[C@@H](O)CCO 07c1856b839d5e4ec495cf7d893557af [0,1,0,0,0,0|2,0,1]=4 420 B10R0.3 O=C(O)COC[C@@H](O)CCO e996c248f069277500d22b0236e850b4 [0,1,0,0,0,0|2,0,1]=4 421 B10R0.4 C#CCCCCNCC(=O)O 053e69494a1edfe88d9aa7bec3f3ce0a [0,1,0,0,0,0|1,0,2]=4 422 B10R0.4 C#CCCCCOCC(=O)O 754c0ff3e6f0bdb78989a7e7ae9e5b08 [0,1,0,0,0,0|1,0,2]=4 423 B10R0.4 C#CCCNC/C=C/C(=O)O ae3134ff6c383168a1a315f6049c4aa1 [0,1,0,0,0,0|0,0,2]=3 424 B10R0.4 C#CCCNCC=CC(=O)O 9e0bd0263b6d3f303a780bdeb77f1eec [0,1,0,0,0,0|0,0,2]=3 425 B10R0.4 C#CCCOC/C=C/C(=O)O e97750fbe3af5cd25ada2c0b161a6a43 [0,1,0,0,0,0|0,0,2]=3 426 B10R0.4 C#CCCOCC=CC(=O)O 6ab6714a8ac9af17a2070b163f189fee [0,1,0,0,0,0|0,0,2]=3 427 B10R0.4 C/C=C/CCCOCC(=O)O 7432494e77d961fe0bec79b7d3fd9b8c [0,1,0,0,0,0|1,0,2]=4 428 B10R0.4 C/C=C/CNC/C=C/C(=O)O d8109611f2b46b7440b12543ef5a2667 [0,1,0,0,0,0|0,0,2]=3 429 B10R0.4 C/C=C/CNCC=CC(=O)O 99f0968071b56653d5d1f852845a71bc [0,1,0,0,0,0|0,0,2]=3 430 B10R0.4 C/C=C/COC/C=C/C(=O)O 9e3e67353299b82b6f2d1fc032d7f433 [0,1,0,0,0,0|0,0,2]=3 431 B10R0.4 C/C=C/COCC=CC(=O)O 4774a202bf666ad1a4096b4c9409afd7 [0,1,0,0,0,0|0,0,2]=3 432 B10R0.4 C/C=C\CCCNCC(=O)O e1e9e131b6177d66418d3e1789832edd [0,1,0,0,0,0|1,0,2]=4 433 B10R0.4 C/C=C\CCCOCC(=O)O a10f8b8bf03efd0d18a4f726108b2616 [0,1,0,0,0,0|1,0,2]=4 434 B10R0.4 C/C=C\CNC/C=C/C(=O)O 58340f175c6cfa9f1c62a211fd57dc61 [0,1,0,0,0,0|0,0,2]=3 435 B10R0.4 C/C=C\CNCC=CC(=O)O 37bb86a727976fdefe183e3a2f21d8f6 [0,1,0,0,0,0|0,0,2]=3 436 B10R0.4 C/C=C\COC/C=C/C(=O)O cca6a1204e18f7410064d167f94b7196 [0,1,0,0,0,0|0,0,2]=3 437 B10R0.4 C/C=C\COCC=CC(=O)O 720963ab98658428ca9cdb73a3c7067a [0,1,0,0,0,0|0,0,2]=3 438 B10R0.4 C=CCCCCNCC(=O)O 0a5c0aa41b8a418ca63d9c52b3af9bba [0,1,0,0,0,0|1,0,2]=4 439 B10R0.4 C=CCCCCOCC(=O)O cb2fa521222587e3021c2fae70958356 [0,1,0,0,0,0|1,0,2]=4 440 B10R0.4 C=CCCNC/C=C/C(=O)O 0ce8299bcba3d55dfa58287dcb1b5e18 [0,1,0,0,0,0|0,0,2]=3 441 B10R0.4 C=CCCNCC=CC(=O)O 4b4b34f4734d27de6f7b413960c8cf4b [0,1,0,0,0,0|0,0,2]=3 442 B10R0.4 C=CCCOC/C=C/C(=O)O d4e7ebabd9d174ae70dcc3a6643469bb [0,1,0,0,0,0|0,0,2]=3 443 B10R0.4 C=CCCOCC=CC(=O)O 7bd1366b2591f6209e78b61d6f057c32 [0,1,0,0,0,0|0,0,2]=3 444 B10R0.4 CC#CCCCOCC(=O)O 2de1c93fb989703176b9484ad7a46440 [0,1,0,0,0,0|1,0,2]=4 445 B10R0.4 CC#CCNC/C=C/C(=O)O 193160385daad07530a72090ecc528aa [0,1,0,0,0,0|0,0,2]=3 446 B10R0.4 CC#CCNCC=CC(=O)O 303eb49b65c84048b13b7352666de23b [0,1,0,0,0,0|0,0,2]=3 447 B10R0.4 CC#CCOC/C=C/C(=O)O b5b6290f6029c90a4fbca75b9212cef8 [0,1,0,0,0,0|0,0,2]=3 448 B10R0.4 CC#CCOCC=CC(=O)O 668237141c77270a84a30fb36a77a4dc [0,1,0,0,0,0|0,0,2]=3 449 B10R0.4 CC(=O)CNCCCCCF 14ed717f1f055fc3ffebcb0f3bb7f6ab [0,1,0,0,0,0|2,0,1]=4 450 B10R0.4 CC(=O)CNCCCCCO 64da7cdb6d2a9c33dc01f9b5a780e4d4 [0,1,0,0,0,0|2,0,1]=4 451 B10R0.4 CC(=O)COCCCCCF 7aec6ce84a2c3f216e8ae40d950f6334 [0,1,0,0,0,0|2,0,1]=4 452 B10R0.4 CC(=O)NCCCCCCCl f93e4eee74ea26870e48ebdfc4f07177 [0,1,0,0,0,0|2,0,1]=4 453 B10R0.4 CC(=O)NCCCCCCO f4c6533638e4e2bcf3850e47e46df271 [0,1,0,0,0,0|2,0,1]=4 454 B10R0.4 CC/C=C/CCOCC(=O)O d3d91f905900557afa774e13b9df6026 [0,1,0,0,0,0|1,0,2]=4 455 B10R0.4 CC/C=C\CCNCC(=O)O cbcffdadc0ca4c78c680764fb8ad852e [0,1,0,0,0,0|1,0,2]=4 456 B10R0.4 CC/C=C\CCOCC(=O)O 2cec0b1c660697fcd461620b82c4e65a [0,1,0,0,0,0|1,0,2]=4 457 B10R0.4 CC=CCCCOCC(=O)O eb02a0583e7477549f7236d3495e3904 [0,1,0,0,0,0|1,0,2]=4 458 B10R0.4 CC=CCNC/C=C/C(=O)O bfdefbcb87efc1e234a5d413c61ade0a [0,1,0,0,0,0|0,0,2]=3 459 B10R0.4 CC=CCNCC=CC(=O)O 87f7384c87fed03a9320e38798a7984f [0,1,0,0,0,0|0,0,2]=3 460 B10R0.4 CC=CCOC/C=C/C(=O)O afa0bfcbedf14cfa4f6346226dc63ff0 [0,1,0,0,0,0|0,0,2]=3 461 B10R0.4 CC=CCOCC=CC(=O)O 3ecf7907a1bda688d22605b4407d2793 [0,1,0,0,0,0|0,0,2]=3 462 B10R0.4 CCC#CCCOCC(=O)O 9a6310bfcfd292d4532f447a214df326 [0,1,0,0,0,0|1,0,2]=4 463 B10R0.4 CCC/C=C/CNCC(=O)O d333e5f143db479d98cf398543834293 [0,1,0,0,0,0|1,0,2]=4 464 B10R0.4 CCC/C=C/COCC(=O)O 72aab2c6b05e394fdc94d7b08198a96f [0,1,0,0,0,0|1,0,2]=4 465 B10R0.4 CCC/C=C\CNCC(=O)O d0f8354af0548992aeb3cd8704b042da [0,1,0,0,0,0|1,0,2]=4 466 B10R0.4 CCC/C=C\COCC(=O)O 34e137c4a3c55da23e210818c1ae134e [0,1,0,0,0,0|1,0,2]=4 467 B10R0.4 CCCC#CCOCC(=O)O 73563ca30f87abc33eb077bf6f4b8dcb [0,1,0,0,0,0|1,0,2]=4 468 B10R0.4 CCCCCCCNC(=O)C 7ff946498704aad8136855c3c0214f94 [0,1,0,0,0,0|1,0,2]=4 469 B10R0.4 CCCCCCNCC(=O)C e3842b8fd2cae14899e78886113beba0 [0,1,0,0,0,0|1,0,2]=4 470 B10R0.4 CCCCCCNCC(=O)N 3fae3fcfcc109d047ed465f3e2b847e2 [0,1,0,0,0,0|1,0,2]=4 471 B10R0.4 CCCCCCNCC(=O)O fb02da52628d24bba2741502ccbc57e6 [0,1,0,0,0,0|0,0,2]=3 472 B10R0.4 CCCCCCOCC(=O)C c622979e72a3edd318802db3f6123eee [0,1,0,0,0,0|1,0,2]=4 473 B10R0.4 CCCCCCOCC(=O)N 9c51cacea528460eb1c6e4fbed6a2905 [0,1,0,0,0,0|1,0,2]=4 474 B10R0.4 CCCCCCOCC(=O)O d5f902343f3fbf5baaa362a21e128151 [0,1,0,0,0,0|0,0,2]=3 475 B10R0.4 CCCCCCOCS(=O)O 2b6780218bd3498af4d92344e34b6465 [0,1,0,0,0,0|1,0,2]=4 476 B10R0.4 CCCCCNC/C=C(/C)\I 888f407c9912c682883282c5fa449bc3 [0,1,0,0,0,0|2,0,1]=4 477 B10R0.4 CCCCCNC/C=C(\C)/Cl 177e0edb752142a6e20de7fca3adb5b2 [0,1,0,0,0,0|2,0,1]=4 478 B10R0.4 CCCCCNCC=C(C)C 86a525cd8e4a6b34c066789a57566e47 [0,1,0,0,0,0|2,0,1]=4 479 B10R0.4 CCCCCNCC=C(C)Cl 50118f3abc69b2d8e563f0002063ccb1 [0,1,0,0,0,0|2,0,1]=4 480 B10R0.4 CCCCCNCC=C(C)I b6202e36bf5cc884706cc14a806fb748 [0,1,0,0,0,0|2,0,1]=4 481 B10R0.4 CCCCCNCC=C(Cl)Cl 5136b9f992f51363dbc2dc99f2b06cb6 [0,1,0,0,0,0|2,0,1]=4 482 B10R0.4 CCCCCNCCC(=O)C 2bb7295af3afb64defefb63687bea421 [0,1,0,0,0,0|1,0,2]=4 483 B10R0.4 CCCCCNCCC(=O)N da2ae5cebf00ff2bc6648f8e9deea068 [0,1,0,0,0,0|1,0,2]=4 484 B10R0.4 CCCCCNCCC(=O)O c651e7e992c1332ced5d27852e6267f0 [0,1,0,0,0,0|0,0,2]=3 485 B10R0.4 CCCCCNCCS(=O)O 40a9496c737aacfd55e5b85a03b28772 [0,1,0,0,0,0|1,0,2]=4 486 B10R0.4 CCCCCNCOC(=O)C 35ef47aef23a171936e6801a261865e1 [0,1,0,0,0,0|2,0,1]=4 487 B10R0.4 CCCCCNCSC(=O)N f0087a849ed0984cde78f3cd83990d19 [0,1,0,0,0,0|2,0,1]=4 488 B10R0.4 CCCCCOC/C=C(/C)\Cl aa962184d6cd966db0085f8251712374 [0,1,0,0,0,0|2,0,1]=4 489 B10R0.4 CCCCCOC/C=C(/C)\I 888a413f21dfbd656fc488c73a67a4d6 [0,1,0,0,0,0|2,0,1]=4 490 B10R0.4 CCCCCOC/C=C(\C)/Cl 4c8af2dec5ba3b4dfe6107e44ddef16b [0,1,0,0,0,0|2,0,1]=4 491 B10R0.4 CCCCCOCC=C(C)C d6a15546708c44b4ae5a35a9bc35cd2c [0,1,0,0,0,0|2,0,1]=4 492 B10R0.4 CCCCCOCC=C(C)Cl 520db63c0e141892ce317b451f1cdca4 [0,1,0,0,0,0|2,0,1]=4 493 B10R0.4 CCCCCOCC=C(C)I f3bc6ca17f79771d527e93998bd60d7e [0,1,0,0,0,0|2,0,1]=4 494 B10R0.4 CCCCCOCC=C(Cl)Cl a9ef19df0da06f7529f6bc192935a65b [0,1,0,0,0,0|2,0,1]=4 495 B10R0.4 CCCCCOCCC(=O)C 7d336bbb7dc5619074d320d9d5eeebd1 [0,1,0,0,0,0|1,0,2]=4 496 B10R0.4 CCCCCOCCC(=O)N 3ccf202c6633a29591d963976a663b22 [0,1,0,0,0,0|1,0,2]=4 497 B10R0.4 CCCCCOCCC(=O)O 183ac3fdf6b059104c4c0237bab12aa8 [0,1,0,0,0,0|0,0,2]=3 498 B10R0.4 CCCCCOCNC(=O)C 3014ea30bb40b67aa6a1ce125b435cc1 [0,1,0,0,0,0|2,0,1]=4 499 B10R0.4 CCCCCOCNC(=O)N 878e32bdf57fabeb01ffaf0ffaaa0fb1 [0,1,0,0,0,0|2,0,1]=4 500 B10R0.4 CCCCCOCOC(=O)C 62a840560a1a56a085f7882cc96ba1f5 [0,1,0,0,0,0|2,0,1]=4 501 B10R0.4 CCCCCOCSC(=O)N e50a2eecc4d190b7254a33158f696a5a [0,1,0,0,0,0|2,0,1]=4 502 B10R0.4 CCCCNC/C=C/C(=O)O 47b1a103370b1a6a86bcade53e559dd6 [0,1,0,0,0,0|0,0,0]=1 503 B10R0.4 CCCCNC/C=C/C(C)C a2deef38ecabb8eebc071867bac084b2 [0,1,0,0,0,0|2,0,1]=4 504 B10R0.4 CCCCNCC#CC(=O)N 7265e951a49d0602acc14cd2a8d78d2a [0,1,0,0,0,0|1,0,2]=4 505 B10R0.4 CCCCNCC#CC(=O)O 8b42ea6f5918936295863b52eb2b06d1 [0,1,0,0,0,0|0,0,2]=3 506 B10R0.4 CCCCNCC=CC(=O)O f8dc0eb33b8e1238b7e6a28f8075ce7a [0,1,0,0,0,0|0,0,0]=1 507 B10R0.4 CCCCNCCC=C(C)C d9b770f84c8be90ca1d17cd0fdf54f4c [0,1,0,0,0,0|2,0,1]=4 508 B10R0.4 CCCCNCCC=C(F)F 9ae42a82a088d60fa48f1f87f8af4410 [0,1,0,0,0,0|2,0,1]=4 509 B10R0.4 CCCCNCCCC(=O)C a2bda33665ed49237506dfdf7a5fb684 [0,1,0,0,0,0|1,0,2]=4 510 B10R0.4 CCCCNCCCC(=O)N 87f3fa3fa2631822b8cd0b48fa13e9d9 [0,1,0,0,0,0|1,0,2]=4 511 B10R0.4 CCCCNCCCC(=O)O 638f7b21d5bd5641b607514c8fb8caf4 [0,1,0,0,0,0|0,0,2]=3 512 B10R0.4 CCCCNCCNC(=O)C a0257fcf7897366323909d66114b6809 [0,1,0,0,0,0|2,0,1]=4 513 B10R0.4 CCCCNCCNC(=O)N 1a45d5f5665165b9b8dd6ffa58910f21 [0,1,0,0,0,0|2,0,1]=4 514 B10R0.4 CCCCNCCOC(=O)C dac752d37b046d20aa6fa7632de515a6 [0,1,0,0,0,0|2,0,1]=4 515 B10R0.4 CCCCNCCSC(=O)C 0ac4a109a3992122f41a3a955bc15a16 [0,1,0,0,0,0|2,0,1]=4 516 B10R0.4 CCCCOC/C=C/C(=O)O f8be4ebbb6c99643b3f6245797365927 [0,1,0,0,0,0|0,0,0]=1 517 B10R0.4 CCCCOC/C=C/C(C)C b1f2e0e0dbab8fa754580343d5eea046 [0,1,0,0,0,0|2,0,1]=4 518 B10R0.4 CCCCOCC#CC(=O)O 38cad6637629b89e3c26c481e48db3f0 [0,1,0,0,0,0|0,0,2]=3 519 B10R0.4 CCCCOCC=CC(=O)O a5c4798b7a417df05ba6cec5bd7ffd88 [0,1,0,0,0,0|0,0,0]=1 520 B10R0.4 CCCCOCCC=C(C)C 12c3c1f2c9c2d69ab18de77f0a3087ea [0,1,0,0,0,0|2,0,1]=4 521 B10R0.4 CCCCOCCC=C(F)F 4247e81b97f3d644b8cc6c5e74c22a00 [0,1,0,0,0,0|2,0,1]=4 522 B10R0.4 CCCCOCCCC(=O)C f0df1029dafc15690be3f3c094f0ad8e [0,1,0,0,0,0|1,0,2]=4 523 B10R0.4 CCCCOCCCC(=O)N 4bd9e362912f487ea2067ef12f3cd6d1 [0,1,0,0,0,0|1,0,2]=4 524 B10R0.4 CCCCOCCNC(=O)C ddcfe368ad37fbe3701a827b8b343f83 [0,1,0,0,0,0|2,0,1]=4 525 B10R0.4 CCCCOCCNC(=O)N c72709ebb46b5df20e6ec26959a0b816 [0,1,0,0,0,0|2,0,1]=4 526 B10R0.4 CCCCOCCOC(=O)C 8f9bbeb4cacbf148ed1331b02f645662 [0,1,0,0,0,0|2,0,1]=4 527 B10R0.4 CCCCOCCSC(=O)C cd6988dd5f5d2697eb1fd4eec9b07d56 [0,1,0,0,0,0|2,0,1]=4 528 B10R0.4 CCCCOCNCC(=O)C af2d8785a5c96c78e17462ebf7d0cbc7 [0,1,0,0,0,0|2,0,1]=4 529 B10R0.4 CCCCOCNCC(=O)N 988bad330cf6d13d6255498b143b0d74 [0,1,0,0,0,0|2,0,1]=4 530 B10R0.4 CCCCOCNCC(=O)O fd1573ef0e57ade41e912b86193789e2 [0,1,0,0,0,0|1,0,1]=3 531 B10R0.4 CCCCOCOCC(=O)C de19627aa5bea52305b73b51889c5d58 [0,1,0,0,0,0|2,0,1]=4 532 B10R0.4 CCCCOCOCC(=O)N 926e206db980bd2c1eefa23df0a6017c [0,1,0,0,0,0|2,0,1]=4 533 B10R0.4 CCCCOCOCC(=O)O 44a077c696800f20f8f77d9f489d7e0a [0,1,0,0,0,0|1,0,1]=3 534 B10R0.4 CCCCOCOCS(=O)O 0d28fd59ab2c1caf0be048f6d50b3ee6 [0,1,0,0,0,0|2,0,1]=4 535 B10R0.4 CCCNCCCCC(=O)C ab2c95adbd41ecce6f11ada83f1aa463 [0,1,0,0,0,0|1,0,2]=4 536 B10R0.4 CCCNCCCCC(=O)N e1e10e2e68cec95857cb4c3cfc282eaf [0,1,0,0,0,0|1,0,2]=4 537 B10R0.4 CCCNCCCCC(=O)O d7ced2df62e692539bca6ff33ab8a797 [0,1,0,0,0,0|0,0,2]=3 538 B10R0.4 CCCNCCCNC(=O)C 889a8f130116f443d6fd6e1232ef1497 [0,1,0,0,0,0|2,0,1]=4 539 B10R0.4 CCCNCCCOC(=O)C e1cec712d82f801a0d54d1944e98e203 [0,1,0,0,0,0|2,0,1]=4 540 B10R0.4 CCCNCCCSC(=O)C 2889b29bc4848ab93d3dd022a17fab90 [0,1,0,0,0,0|2,0,1]=4 541 B10R0.4 CCCNCCOCC(=O)N 55e2f24709483252c53a6fbd0fb9b0cc [0,1,0,0,0,0|2,0,1]=4 542 B10R0.4 CCCNCCOCC(=O)O 6a2b5a7e2d583d3c6ba150b8c3cc16e1 [0,1,0,0,0,0|1,0,1]=3 543 B10R0.4 CCCNCCSCC(=O)O 94cff0686c4de2d0110011adc5739807 [0,1,0,0,0,0|1,0,1]=3 544 B10R0.4 CCCOCCC#CC(=O)O f4d5055400d31c308ce57b5764e65d8e [0,1,0,0,0,0|0,0,2]=3 545 B10R0.4 CCCOCCC=C=C(C)C ff90a2ec7c74bf60b333ceec06584888 [0,1,0,0,0,0|2,0,1]=4 546 B10R0.4 CCCOCCCCC(=O)C fd3e516a01dea40bc28ef8e85abe7b9e [0,1,0,0,0,0|1,0,2]=4 547 B10R0.4 CCCOCCCCC(=O)N 40ac037ce19926aee318707e134df4d3 [0,1,0,0,0,0|1,0,2]=4 548 B10R0.4 CCCOCCCCC(=O)O b2ac1b83aca818e80a2df2f954405a9e [0,1,0,0,0,0|0,0,2]=3 549 B10R0.4 CCCOCCCNC(=O)C 7a5b85034a356fda536fac05ed90cc22 [0,1,0,0,0,0|2,0,1]=4 550 B10R0.4 CCCOCCCOC(=O)C a4e530952a94d07d0a2346bd1f1072e5 [0,1,0,0,0,0|2,0,1]=4 551 B10R0.4 CCCOCCCSC(=O)C 79a61e06633112b372a67f8d0e405976 [0,1,0,0,0,0|2,0,1]=4 552 B10R0.4 CCCOCCNCC(=O)C ca708ee5deb46f0d1f0948a3a215a9a0 [0,1,0,0,0,0|2,0,1]=4 553 B10R0.4 CCCOCCNCC(=O)N 499e078e27ce3bb485f1b0506d848c22 [0,1,0,0,0,0|2,0,1]=4 554 B10R0.4 CCCOCCNCC(=O)O 9f97370ef19b48f601d53c72298be028 [0,1,0,0,0,0|1,0,1]=3 555 B10R0.4 CCCOCCOCC(=O)C 8a0436c09947b0d42e02b341d19a096c [0,1,0,0,0,0|2,0,1]=4 556 B10R0.4 CCCOCCOCC(=O)N 3866f23c4fa43d0a1bf33adf8a9fdb4c [0,1,0,0,0,0|2,0,1]=4 557 B10R0.4 CCCOCCOCC(=O)O c681b062af673d5355b0c992bcf9a03b [0,1,0,0,0,0|1,0,1]=3 558 B10R0.4 CCCOCCOCS(=O)O 641ce035092cbb18e98331d2c45bc1fa [0,1,0,0,0,0|2,0,1]=4 559 B10R0.4 CCCOCCSCC(=O)N bc153a2b3523cf3bf07bbcd570f99185 [0,1,0,0,0,0|2,0,1]=4 560 B10R0.4 CCCSCCOCC(=O)N 7023129cea31bb4e24776462cec680cf [0,1,0,0,0,0|2,0,1]=4 561 B10R0.4 CCCSCCOCC(=O)O f1f74803f7accfdcb460a94fed60dea0 [0,1,0,0,0,0|1,0,1]=3 562 B10R0.4 CCNCCCCCC(=O)N 7e47cb6936cef048a9728be65f4ed153 [0,1,0,0,0,0|1,0,2]=4 563 B10R0.4 CCNCCCCCC(=O)O 656d004177b3de742f8798a032b0925d [0,1,0,0,0,0|0,0,2]=3 564 B10R0.4 CCNCCCCNC(=O)C 56499de7750c75071aaf8455aae5ba93 [0,1,0,0,0,0|2,0,1]=4 565 B10R0.4 CCNCCOCCC(=O)O 8d7e5678fe9a8ff06a1e01887f882b5a [0,1,0,0,0,0|1,0,2]=4 566 B10R0.4 CCOCCCCCC(=O)N 6f015e258b6f4d9a91ad4bf4c5e0b833 [0,1,0,0,0,0|1,0,2]=4 567 B10R0.4 CCOCCCCCC(=O)O 8d0433351c28cc9400e6f6da602a903d [0,1,0,0,0,0|0,0,2]=3 568 B10R0.4 CCOCCCCOC(=O)C 136f9e9edd7237f018da84644cfcf35d [0,1,0,0,0,0|2,0,1]=4 569 B10R0.4 CCOCCCNCC(=O)C 26586e90bfaea7cf445b6081e122678a [0,1,0,0,0,0|2,0,1]=4 570 B10R0.4 CCOCCCNCC(=O)N 2952db3e5f20311a04f3e3495052fa44 [0,1,0,0,0,0|2,0,1]=4 571 B10R0.4 CCOCCCNCC(=O)O 682f6d420ba5c774818f236d90f0fb13 [0,1,0,0,0,0|1,0,1]=3 572 B10R0.4 CCOCCCOCC(=O)C 454eab324c0bac50570ee31f562f3c52 [0,1,0,0,0,0|2,0,1]=4 573 B10R0.4 CCOCCCOCC(=O)N 9c11d1061e2cebe4ab6d2a5f319743ed [0,1,0,0,0,0|2,0,1]=4 574 B10R0.4 CCOCCCOCC(=O)O 2de1613f4b1376069d28111d2a4e00b4 [0,1,0,0,0,0|1,0,1]=3 575 B10R0.4 CCOCCCOCS(=O)O 3d8fd95333e4857454fb6fed7dae58e7 [0,1,0,0,0,0|2,0,1]=4 576 B10R0.4 CCOCCNCCC(=O)O ff34e42923fba256fb9a0dd7fcb988eb [0,1,0,0,0,0|1,0,2]=4 577 B10R0.4 CCOCCOCCC(=O)O 96b40bef50a9547a8511d5d75c98b3cd [0,1,0,0,0,0|1,0,2]=4 578 B10R0.4 CCOCNC/C=C/C(=O)O 2875c981ec79c893eafb4a6f15f0c999 [0,1,0,0,0,0|1,0,0]=2 579 B10R0.4 CCOCNCC#CC(=O)O 07753d2524434ce660704166d831380e [0,1,0,0,0,0|1,0,2]=4 580 B10R0.4 CCOCNCC=CC(=O)O b7037b5f4256548a82996c2c775a2b30 [0,1,0,0,0,0|1,0,0]=2 581 B10R0.4 CCOCNCCCC(=O)O de9a120840675433ed34e7d1ceef9f57 [0,1,0,0,0,0|1,0,2]=4 582 B10R0.4 CCOCOC/C=C/C(=O)O 3a239d5167d5d5441a7edf345b5ed409 [0,1,0,0,0,0|1,0,0]=2 583 B10R0.4 CCOCOCC#CC(=O)O 9fd8239bd681102debb1e17d97e4c1e2 [0,1,0,0,0,0|1,0,2]=4 584 B10R0.4 CCOCOCC=CC(=O)O a538502bdb45503f331579e779e48792 [0,1,0,0,0,0|1,0,0]=2 585 B10R0.4 CCSCCCCNC(=O)C a92a124e17ab18927891ca9e4716ceb8 [0,1,0,0,0,0|2,0,1]=4 586 B10R0.4 CCSCCCNCC(=O)C e1d13e283a2d771ef21f5de250f59362 [0,1,0,0,0,0|2,0,1]=4 587 B10R0.4 CCSCCCNCC(=O)N 9a0dfe2dcddc4c53687d0aa5d215b5c7 [0,1,0,0,0,0|2,0,1]=4 588 B10R0.4 CCSCCCNCC(=O)O 4844b03ae0e8362029b66cb17ab7da38 [0,1,0,0,0,0|1,0,1]=3 589 B10R0.4 CCSCCCOCC(=O)C c02cf25c3006eccd2ce0cd99c6e30a5c [0,1,0,0,0,0|2,0,1]=4 590 B10R0.4 CCSCCCOCC(=O)N 7ce2062b91df77726ba9945e1153225f [0,1,0,0,0,0|2,0,1]=4 591 B10R0.4 CCSCCCOCC(=O)O 40fb12fd65694580de8c81fcc6657b85 [0,1,0,0,0,0|1,0,1]=3 592 B10R0.4 CCSCCNCCC(=O)O 8a1f405a9850c68a6f54d79446f1ff8f [0,1,0,0,0,0|1,0,2]=4 593 B10R0.4 CCSCCOCCC(=O)O 547cb9bae4885e95f673de9975307679 [0,1,0,0,0,0|1,0,2]=4 594 B10R0.4 COCCCCCNC(=O)C bf09c8275c5b54d3f2dfe84453f1edeb [0,1,0,0,0,0|2,0,1]=4 595 B10R0.4 COCCCCNCC(=O)C cbfa920fe125fc55313b8605fe9796ca [0,1,0,0,0,0|2,0,1]=4 596 B10R0.4 COCCCCNCC(=O)N e97389396baa30b92652b95205d0fbf3 [0,1,0,0,0,0|2,0,1]=4 597 B10R0.4 COCCCCNCC(=O)O e7016d96fdd719c414f251fdf8041599 [0,1,0,0,0,0|1,0,1]=3 598 B10R0.4 COCCCCOCC(=O)C 1fb872d7e0dc73f602bada9dd9543de8 [0,1,0,0,0,0|2,0,1]=4 599 B10R0.4 COCCCCOCC(=O)N 31cb5c3dcd7c7bf79498cddf4923ef6e [0,1,0,0,0,0|2,0,1]=4 600 B10R0.4 COCCCCOCC(=O)O c66cf56e8604e7dab5e9dc4c5dc31662 [0,1,0,0,0,0|1,0,1]=3 601 B10R0.4 COCCCCOCS(=O)O 20791ed6c56a23a1b38fc4d9c1ebd8b8 [0,1,0,0,0,0|2,0,1]=4 602 B10R0.4 COCCCNCCC(=O)O 5acb8958d3874c29f59ad4b29733fb60 [0,1,0,0,0,0|1,0,2]=4 603 B10R0.4 COCCCOCCC(=O)O d4eb4dab6784cb2fb1076332406f0b6e [0,1,0,0,0,0|1,0,2]=4 604 B10R0.4 COCCNC/C=C/C(=O)O b1d04a179acee46908956917264c8cc5 [0,1,0,0,0,0|1,0,0]=2 605 B10R0.4 COCCNCC#CC(=O)O 7f896907828465adac320dbfa42d3eb1 [0,1,0,0,0,0|1,0,2]=4 606 B10R0.4 COCCNCC=CC(=O)O ef0e4ce163e3241834baff0dae811c80 [0,1,0,0,0,0|1,0,0]=2 607 B10R0.4 COCCNCCCC(=O)O 80c02cc92019d5cbde133d36aaa74f6c [0,1,0,0,0,0|1,0,2]=4 608 B10R0.4 COCCOC/C=C/C(=O)O 66070973a0357b16620bc879320e93c3 [0,1,0,0,0,0|1,0,0]=2 609 B10R0.4 COCCOCC#CC(=O)O efa7e98de9cba4622bbd17aaef09bdce [0,1,0,0,0,0|1,0,2]=4 610 B10R0.4 COCCOCC=CC(=O)O f37127939adc5d6a066eae4cdb179c6b [0,1,0,0,0,0|1,0,0]=2 611 B10R0.4 COCCOCCCC(=O)O 72bf5da1d6d66c17ef3fa61bc44b144e [0,1,0,0,0,0|1,0,2]=4 612 B10R0.4 COCCOCNCC(=O)O cd266e853014bc3bf1df1688ada37b80 [0,1,0,0,0,0|2,0,1]=4 613 B10R0.4 COCCOCOCC(=O)O 33e2dc082653111369a9ebb0f3dd1517 [0,1,0,0,0,0|2,0,1]=4 614 B10R0.4 COCNCCCCC(=O)O ab3a9a9d4707dc728acea20d8c742102 [0,1,0,0,0,0|1,0,2]=4 615 B10R0.4 COCNCCOCC(=O)O 6547e77a18253d21f97f7a9f8e829291 [0,1,0,0,0,0|2,0,1]=4 616 B10R0.4 COCNCCSCC(=O)O 111b0bec8abf6ce7a99b740e747e3a45 [0,1,0,0,0,0|2,0,1]=4 617 B10R0.4 COCOCCC#CC(=O)O 20e4e7012eaa24c0ebd7801ec30bf8cb [0,1,0,0,0,0|1,0,2]=4 618 B10R0.4 COCOCCCCC(=O)O 1b557b71d3e61c8258a3d16cc8108d48 [0,1,0,0,0,0|1,0,2]=4 619 B10R0.4 COCOCCNCC(=O)O dff72b6a005901315460df825cad1590 [0,1,0,0,0,0|2,0,1]=4 620 B10R0.4 COCOCCOCC(=O)O dbe7814731404918520e20e0c8a9d8a0 [0,1,0,0,0,0|2,0,1]=4 621 B10R0.4 CSCCCCNCC(=O)N be908afb84997a5fe3c895d3fa896e8c [0,1,0,0,0,0|2,0,1]=4 622 B10R0.4 CSCCCCNCC(=O)O fe5f17285810fe796abbdf4483e3c94f [0,1,0,0,0,0|1,0,1]=3 623 B10R0.4 CSCCCCOCC(=O)N 0dad99c49ad626422ed7bea97669fab3 [0,1,0,0,0,0|2,0,1]=4 624 B10R0.4 CSCCCCOCC(=O)O 6959643b4f26b002ad25adcfb835b476 [0,1,0,0,0,0|1,0,1]=3 625 B10R0.4 CSCCCNCCC(=O)O ebcd26378cbdddef3de03c919f85430a [0,1,0,0,0,0|1,0,2]=4 626 B10R0.4 CSCCCOCCC(=O)O 6b3756b593022d7d702b5e676fa25b5e [0,1,0,0,0,0|1,0,2]=4 627 B10R0.4 CSCCNC/C=C/C(=O)O b1228173c26f88bf0095cbc45a5e21db [0,1,0,0,0,0|1,0,0]=2 628 B10R0.4 CSCCNCC#CC(=O)O 9beba50b84dac3b96b5cab73e536e83f [0,1,0,0,0,0|1,0,2]=4 629 B10R0.4 CSCCNCC=CC(=O)O 7f5fb377fe5377cc803de2553c28d287 [0,1,0,0,0,0|1,0,0]=2 630 B10R0.4 CSCCNCCCC(=O)O 984273bed5ff75481a174286557b4f00 [0,1,0,0,0,0|1,0,2]=4 631 B10R0.4 CSCCOC/C=C/C(=O)O c6623daae1bdc6df0eea5b6cc80f5ef4 [0,1,0,0,0,0|1,0,0]=2 632 B10R0.4 CSCCOCC#CC(=O)O bd0e1d032df32016637158c474154032 [0,1,0,0,0,0|1,0,2]=4 633 B10R0.4 CSCCOCC=CC(=O)O 0fd583ba97df6e5e9337d21463221f93 [0,1,0,0,0,0|1,0,0]=2 634 B10R0.4 CSCCOCCCC(=O)O 2169ad430e54ba0fc625bece4160068c [0,1,0,0,0,0|1,0,2]=4 635 B10R0.4 CSCNCCCCC(=O)O 5ded596d0e21db27702f9a71836c5d08 [0,1,0,0,0,0|1,0,2]=4 636 B10R0.4 CSCNCCOCC(=O)O 9dde45d19d97a6d2f21ba3253fd6431d [0,1,0,0,0,0|2,0,1]=4 637 B10R0.4 CSCNCCSCC(=O)O 99b5c3e65296e6ad64480ff1c9b17a6c [0,1,0,0,0,0|2,0,1]=4 638 B10R0.4 CSCOCCC#CC(=O)O 1fe9de62f34aaf3cfb22cb3fd40d84b7 [0,1,0,0,0,0|1,0,2]=4 639 B10R0.4 CSCOCCCCC(=O)O 6c17dfeb22841c97ecacc91dd0ab17dc [0,1,0,0,0,0|1,0,2]=4 640 B10R0.4 CSCOCCOCC(=O)O ea88c1837b26f67820b4a9f2fc3636a4 [0,1,0,0,0,0|2,0,1]=4 641 B10R0.4 N#CCCCCNCC(=O)O 35d6d21b615d456356a1e3b53ec5c7fb [0,1,0,0,0,0|1,0,2]=4 642 B10R0.4 N#CCCCCOCC(=O)O 3198be191b9513c8b3d591086f6dd40d [0,1,0,0,0,0|1,0,2]=4 643 B10R0.4 N#CCCNC/C=C/C(=O)O f887a38db6c08a68bae5c143c5c7e20a [0,1,0,0,0,0|1,0,1]=3 644 B10R0.4 N#CCCNCC=CC(=O)O 817da5765f57345afb062d88ad788ae1 [0,1,0,0,0,0|1,0,1]=3 645 B10R0.4 N#CCCOC/C=C/C(=O)O fe11672977d372dfe059aa42cebdc7f8 [0,1,0,0,0,0|1,0,1]=3 646 B10R0.4 N#CCCOCC=CC(=O)O b1561a4669bf43c05913524f5158078a [0,1,0,0,0,0|1,0,1]=3 647 B10R0.4 N#CSCNC/C=C/C(=O)O bfcbbaa8e7c41d38343fbbeda27a1568 [0,1,0,0,0,0|2,0,1]=4 648 B10R0.4 N#CSCNCC=CC(=O)O 89a0b2bd3afc20807092b5f248f1e4c6 [0,1,0,0,0,0|2,0,1]=4 649 B10R0.4 N#CSCOC/C=C/C(=O)O f399e8a0b2c0a0d2f695ea447e8695d0 [0,1,0,0,0,0|2,0,1]=4 650 B10R0.4 N#CSCOCC=CC(=O)O 202f5bf8fb18a747cf384c6a3343924e [0,1,0,0,0,0|2,0,1]=4 651 B10R0.4 NC(=O)CNCCCCCCl fd31e95bdf01f497eb7912a9a53f6494 [0,1,0,0,0,0|2,0,1]=4 652 B10R0.4 NC(=O)CNCCCCCF f6c85c89a6d81f1c3ad25ca646ccff17 [0,1,0,0,0,0|2,0,1]=4 653 B10R0.4 NC(=O)CNCCCCCO 7b34d60a58c145ac2efa7af0999699a8 [0,1,0,0,0,0|2,0,1]=4 654 B10R0.4 NC(=O)COCCCCCF 2490632b700a7ac5785deea7c0a8c40c [0,1,0,0,0,0|2,0,1]=4 655 B10R0.4 NOCCCCNCC(=O)O 70dadd5c846e10f66795cc83cee65fc1 [0,1,0,0,0,0|2,0,1]=4 656 B10R0.4 NOCCNC/C=C/C(=O)O 1aca31a3ab67b7f0901f1eb8297bdf44 [0,1,0,0,0,0|2,0,0]=3 657 B10R0.4 NOCCNCC=CC(=O)O 394b5316a352f4534f6d8a345a2fdfb7 [0,1,0,0,0,0|2,0,0]=3 658 B10R0.4 O=C(O)/C=C/CNC/C=C/Cl 41e7a98e770cba7f1d3d66bf8f68a8cf [0,1,0,0,0,0|1,0,2]=4 659 B10R0.4 O=C(O)/C=C/CNC/C=C\Cl 8147566c6371ae4b5db2f5e1a1f90820 [0,1,0,0,0,0|1,0,2]=4 660 B10R0.4 O=C(O)/C=C/CNC/C=C\O 4dccb6e71f250f7cadda4d8e8c5e4acf [0,1,0,0,0,0|1,0,2]=4 661 B10R0.4 O=C(O)/C=C/CNCCCCl 5d7b01cccad7f7aa9fa7f0406bab9e93 [0,1,0,0,0,0|1,0,0]=2 662 B10R0.4 O=C(O)/C=C/CNCCCF d92460741b8dda97762a1d7a72ba3673 [0,1,0,0,0,0|1,0,0]=2 663 B10R0.4 O=C(O)/C=C/CNCCCO d9e674b13507c040b7a7a8b90c96e7d6 [0,1,0,0,0,0|1,0,0]=2 664 B10R0.4 O=C(O)/C=C/CNCCCS 35fcb2a0be1464b0b2be2b2c55fc6187 [0,1,0,0,0,0|1,0,0]=2 665 B10R0.4 O=C(O)/C=C/COC/C=C/Cl d1232038f5d656a47926629f96d4c954 [0,1,0,0,0,0|1,0,2]=4 666 B10R0.4 O=C(O)/C=C/COC/C=C\Cl 68bdc8fea06df5af7406ec10f36ad941 [0,1,0,0,0,0|1,0,2]=4 667 B10R0.4 O=C(O)/C=C/COCC#CI b7fe6184e9b6e57a310342fc7486413b [0,1,0,0,0,0|1,0,2]=4 668 B10R0.4 O=C(O)/C=C/COCC=CCl 595882b4b2f792a689b6be794d813a52 [0,1,0,0,0,0|1,0,2]=4 669 B10R0.4 O=C(O)/C=C/COCCCF 138adf3e5a621d89d67231c17793e2e6 [0,1,0,0,0,0|1,0,0]=2 670 B10R0.4 O=C(O)/C=C/COCCCS 5bd8e6a45493d9cc00eb46a146676303 [0,1,0,0,0,0|1,0,0]=2 671 B10R0.4 O=C(O)C#CCCOCCF 978133a64cd0700bc635be5edbebc5c5 [0,1,0,0,0,0|1,0,2]=4 672 B10R0.4 O=C(O)C#CCCOCCS c1d5b5482cd14b46e8ffc5d82f0d5513 [0,1,0,0,0,0|1,0,2]=4 673 B10R0.4 O=C(O)C#CCNCCCF 9fcede68357c8b8a84d0eccf60d3608e [0,1,0,0,0,0|1,0,2]=4 674 B10R0.4 O=C(O)C#CCNCCCO a954b150cfc828e11ea8ca9912a3c638 [0,1,0,0,0,0|1,0,2]=4 675 B10R0.4 O=C(O)C#CCNCCCS f0d5b613e31cd7b0ef77e717544779be [0,1,0,0,0,0|1,0,2]=4 676 B10R0.4 O=C(O)C#CCOCCCF d5c8dde9d08c586b5cdcff6c7664f6da [0,1,0,0,0,0|1,0,2]=4 677 B10R0.4 O=C(O)C#CCOCCCS a05e4b1c0a363c745c35c8ef39d33cd7 [0,1,0,0,0,0|1,0,2]=4 678 B10R0.4 O=C(O)C=CCNC/C=C/Cl ae781a940ac414c83cf3daa142eebefc [0,1,0,0,0,0|1,0,2]=4 679 B10R0.4 O=C(O)C=CCNC/C=C\Cl ecf046cad166619d015aa70ee57ac5ef [0,1,0,0,0,0|1,0,2]=4 680 B10R0.4 O=C(O)C=CCNC/C=C\O 9d64a95e7644027ec2656fd3d25cd3ad [0,1,0,0,0,0|1,0,2]=4 681 B10R0.4 O=C(O)C=CCNCCCCl 1e72e22dd52648dea2d4205cb25f9624 [0,1,0,0,0,0|1,0,0]=2 682 B10R0.4 O=C(O)C=CCNCCCF e26a9782d7430c923fbcae00d797add2 [0,1,0,0,0,0|1,0,0]=2 683 B10R0.4 O=C(O)C=CCNCCCO fcba38efbd09999c051c3dc2d8670641 [0,1,0,0,0,0|1,0,0]=2 684 B10R0.4 O=C(O)C=CCNCCCS 48d055f95461678cbe308cd4c0a345e3 [0,1,0,0,0,0|1,0,0]=2 685 B10R0.4 O=C(O)C=CCOC/C=C/Cl 478ea0666290d843fbd4e23a797bfaa2 [0,1,0,0,0,0|1,0,2]=4 686 B10R0.4 O=C(O)C=CCOC/C=C\Cl 9beb63a9e4d10dc701e7465545ce1ec9 [0,1,0,0,0,0|1,0,2]=4 687 B10R0.4 O=C(O)C=CCOCC#CI 849f24b1abeef8f386c335a6ac8d9c88 [0,1,0,0,0,0|1,0,2]=4 688 B10R0.4 O=C(O)C=CCOCC=CCl 635f100c3330f478653c5bc838d8c032 [0,1,0,0,0,0|1,0,2]=4 689 B10R0.4 O=C(O)C=CCOCCCF 8899ee31fe53daf02a3aea8b5f0aced2 [0,1,0,0,0,0|1,0,0]=2 690 B10R0.4 O=C(O)C=CCOCCCS 1ca378389e39abb72f78c4e13ec684a5 [0,1,0,0,0,0|1,0,0]=2 691 B10R0.4 O=C(O)CCCCCNCF 5010e9049fecfa0377d660157cc67715 [0,1,0,0,0,0|1,0,2]=4 692 B10R0.4 O=C(O)CCCCCNCO 9f006abe272dfebb9f21f85b4e25f481 [0,1,0,0,0,0|1,0,2]=4 693 B10R0.4 O=C(O)CCCCCOCF 71f72a753ed44d8087f81d2f875fc41b [0,1,0,0,0,0|1,0,2]=4 694 B10R0.4 O=C(O)CCCCNCCF aa510449750017f96f3f1d1804b3727d [0,1,0,0,0,0|1,0,2]=4 695 B10R0.4 O=C(O)CCCCNCCI 0252ad0383162f9fa94cd74a1313364e [0,1,0,0,0,0|1,0,2]=4 696 B10R0.4 O=C(O)CCCCNCCO 278650aa09a4063af47118a1fddf5afa [0,1,0,0,0,0|1,0,2]=4 697 B10R0.4 O=C(O)CCCCNCCS b836a13534f967d6f1dddb4786cb91a3 [0,1,0,0,0,0|1,0,2]=4 698 B10R0.4 O=C(O)CCCCOCCF e9c9bf004bced3e5d4d08ac016f5c678 [0,1,0,0,0,0|1,0,2]=4 699 B10R0.4 O=C(O)CCCCOCCS e9bbc58a5b43da00330d5dac53c10e5b [0,1,0,0,0,0|1,0,2]=4 700 B10R0.4 O=C(O)CCCNCCCCl e7a82f437ef7ce7c511305c3bebf2ef2 [0,1,0,0,0,0|1,0,2]=4 701 B10R0.4 O=C(O)CCCNCCCF 3c12d664e7366df0bac8121fcdb32907 [0,1,0,0,0,0|1,0,2]=4 702 B10R0.4 O=C(O)CCCNCCCO 9a5e0cfff3cc3bd220fe4c019937f745 [0,1,0,0,0,0|1,0,2]=4 703 B10R0.4 O=C(O)CCCOCCCF ef86cc67ffb85fea8a2e23ffd0be7146 [0,1,0,0,0,0|1,0,2]=4 704 B10R0.4 O=C(O)CCNCCCCCl 15c8dbba8e6f22b07523ac4d29cb0ac3 [0,1,0,0,0,0|1,0,2]=4 705 B10R0.4 O=C(O)CCNCCCCF f5d00c625d661c736577c0dc3ba36014 [0,1,0,0,0,0|1,0,2]=4 706 B10R0.4 O=C(O)CCNCCCCO 1717076d72b743c651a0c543e687abfd [0,1,0,0,0,0|1,0,2]=4 707 B10R0.4 O=C(O)CCNCCCCS 49b25c5bdb84f91f3248e476108ccc79 [0,1,0,0,0,0|1,0,2]=4 708 B10R0.4 O=C(O)CCOCCCCF f1aba4d0fec36c39af00cdd25995f36c [0,1,0,0,0,0|1,0,2]=4 709 B10R0.4 O=C(O)CCOCCCCS f440f233d2be0718d562a00417942445 [0,1,0,0,0,0|1,0,2]=4 710 B10R0.4 O=C(O)CNCCCCCCl a83b6bb993dd65ffba33eb2586cdf494 [0,1,0,0,0,0|1,0,1]=3 711 B10R0.4 O=C(O)CNCCCCCF 4dbeaa853a61d08f169520460ad25911 [0,1,0,0,0,0|1,0,1]=3 712 B10R0.4 O=C(O)CNCCCCCO 95121d7be2e3a87e4e81ec26c166df24 [0,1,0,0,0,0|1,0,1]=3 713 B10R0.4 O=C(O)CNCCOCCO 61358dfe4f762e3239860abf51eb55a2 [0,1,0,0,0,0|2,0,1]=4 714 B10R0.4 O=C(O)CNCCOCCS 925322d012b8e92ba4e47f9a5625ac74 [0,1,0,0,0,0|2,0,1]=4 715 B10R0.4 O=C(O)CNCCSCCO 277ca89a0a517963cae207967b457e7c [0,1,0,0,0,0|2,0,1]=4 716 B10R0.4 O=C(O)COCCCCCF 8e4729e23febda2f8d2fd6c5de67d134 [0,1,0,0,0,0|1,0,1]=3 717 B10R0.4 O=C(O)COCCNCCF 2e7d4e80e31c3481ef07788398a5dd6a [0,1,0,0,0,0|2,0,1]=4 718 B10R0.4 O=C(O)COCCNCCI e3160e5e187ed431712741097b4ede2f [0,1,0,0,0,0|2,0,1]=4 719 B10R0.4 O=C(O)COCCNCCO 1d28851cb10c60424a64961c961ad5e1 [0,1,0,0,0,0|2,0,1]=4 720 B10R0.4 O=C(O)COCCNCCS 426b240fbe8b2d3c77fa7bc41add1fe2 [0,1,0,0,0,0|2,0,1]=4 721 B10R0.4 O=C(O)COCCOCCF 98b6f4f719a60ef054da74892db23cca [0,1,0,0,0,0|2,0,1]=4 722 B10R0.4 O=C(O)COCCOCCS 374d05928f0579f3109488a6dc4024e2 [0,1,0,0,0,0|2,0,1]=4 723 B10R0.4 O=C(O)CSCCNCCF cb7168a71eceedaa9f2298994c7f8a7d [0,1,0,0,0,0|2,0,1]=4 724 B10R0.4 O=C(O)CSCCNCCO f8149fa1464b0b22fccb9cf51e8861d6 [0,1,0,0,0,0|2,0,1]=4 725 B10R0.4 O=C(O)CSCCNCCS 9c8f0db50c9a3907b8542969b9c22d43 [0,1,0,0,0,0|2,0,1]=4 726 B10R0.4 O=CCCCCNCC(=O)O afa09eb7ad93095d62a13368a3c2af83 [0,1,0,0,0,0|1,0,2]=4 727 B10R0.4 O=CCCCCOCC(=O)O bbd2ea09c7afe456618ef923b44a2447 [0,1,0,0,0,0|1,0,2]=4 728 B10R0.4 O=CCCNC/C=C/C(=O)O 7bd4dcb8b5e1e1b17acd9b5e06e6ddef [0,1,0,0,0,0|1,0,1]=3 729 B10R0.4 O=CCCNCC=CC(=O)O 5aa84de6d5dfc561a2e6220d02aae921 [0,1,0,0,0,0|1,0,1]=3 730 B10R0.4 O=CCCOC/C=C/C(=O)O cb402409316a1b67485f36e13fd9a6d4 [0,1,0,0,0,0|1,0,1]=3 731 B10R0.4 O=CCCOCC=CC(=O)O c7f3f78e5a4b4270dcf0d4946eb7cd47 [0,1,0,0,0,0|1,0,1]=3 732 B10R0.4 O=S(O)COCCCCCF 402ddc7a1da086e0d2bc9a9fc3ebe9c1 [0,1,0,0,0,0|2,0,1]=4 733 B10R0.6 CCCCCC(C)NC(=O)C c171b2058cf01627dcbe5546a9adf771 [0,1,0,0,0,0|2,0,1]=4 734 B10R0.6 CCCCCN(C)CC(=O)N 856176a9883c7f313669e596dfe6bc0d [0,1,0,0,0,0|2,0,1]=4 735 B10R0.6 CCCCCN(C)CC(=O)O 4ab140d6aac6faac2393e297443e0dda [0,1,0,0,0,0|1,0,1]=3 736 B10R0.6 CCCCC[C@H](C)NC(=O)C 3ba852cb007a73bb1c521783cc9a5f9b [0,1,0,0,0,0|2,0,1]=4 737 B10R0.6 CCCCNC(=O)/C=C(/C)\Cl e70b73212d0df50b9ffd44bb8c60dfe6 [0,1,0,0,0,0|3,0,0]=4 738 B10R0.6 CCCCNC(=O)/C=C(/C)\I 5d4135c3d615e9346d0ef280bf7a7a8a [0,1,0,0,0,0|3,0,0]=4 739 B10R0.6 CCCCNC(=O)/C=C(\C)/Cl c0f2fd954f4925b9f40209fc657fbf40 [0,1,0,0,0,0|3,0,0]=4 740 B10R0.6 CCCCNC(=O)C=C(Br)Br 6e543ecd64d3801361d7892d19f6af97 [0,1,0,0,0,0|3,0,0]=4 741 B10R0.6 CCCCNC(=O)C=C(C)C 7ecde2d02195290066902192e54c9d39 [0,1,0,0,0,0|3,0,0]=4 742 B10R0.6 CCCCNC(=O)C=C(C)I 8d7e220d343c764b5c0a505ed530bab9 [0,1,0,0,0,0|3,0,0]=4 743 B10R0.6 CCCCNC(=O)C=C(Cl)Cl f2f931b0160fb7ffd4cd63eac5dde314 [0,1,0,0,0,0|3,0,0]=4 744 B10R0.6 CCCCNC(=O)CC(=O)C 00bd35636d398cf3ada227296de4129c [0,1,0,0,0,0|2,0,1]=4 745 B10R0.6 CCCCNC(=O)CC(=O)N c3cfa9aada86eb19f4d2c35de5c07b64 [0,1,0,0,0,0|2,0,1]=4 746 B10R0.6 CCCCNC(C)CC(=O)O c633822bdd37960050b77a4c542ea52f [0,1,0,0,0,0|1,0,2]=4 747 B10R0.6 CCCCN[C@@H](C)CC(=O)O fb7944b4d683d296fe4ee273d84f1842 [0,1,0,0,0,0|1,0,2]=4 748 B10R0.6 CCCCN[C@H](C)CC(=O)O effa4168fb691284724307507367e076 [0,1,0,0,0,0|1,0,2]=4 749 B10R0.6 CCCCOC(C)CC(=O)O 7d385d82783db9ce90ee671d43dd6564 [0,1,0,0,0,0|1,0,2]=4 750 B10R0.6 CCCCO[C@@H](C)CC(=O)O e0b1114df9792477e60a032af290ecc0 [0,1,0,0,0,0|1,0,2]=4 751 B10R0.6 CCCCO[C@H](C)CC(=O)O 72d7a585b30718443ba3a12d0dc6335b [0,1,0,0,0,0|1,0,2]=4 752 B10R0.6 CCCNCC(=O)CC(=O)O 647d084d70797a2ed0a267823351fd12 [0,1,0,0,0,0|1,0,1]=3 753 B10R0.6 CCCNCC(=O)NC(=O)C 9a115f256ea9cae345065581a2c4b054 [0,1,0,0,0,0|3,0,0]=4 754 B10R0.6 CCCNCC(O)CC(=O)O 16b23299f37a8d9496c6c0b6251c38a9 [0,1,0,0,0,0|1,0,2]=4 755 B10R0.6 CCCNC[C@@H](O)CC(=O)O 291cb1436a6d09c088f19d633b5b0ffe [0,1,0,0,0,0|1,0,2]=4 756 B10R0.6 CCCNC[C@H](O)CC(=O)O d3a494af08bc1bf4019a0efd791c0770 [0,1,0,0,0,0|1,0,2]=4 757 B10R0.6 CCCOCC(=O)CC(=O)O cf9be1521053caf66870fd24a0372650 [0,1,0,0,0,0|1,0,1]=3 758 B10R0.6 CCCOCC(=O)NC(=O)C 79a48efdb1630198308a240f35b046a4 [0,1,0,0,0,0|3,0,0]=4 759 B10R0.6 CCOCCN(C)CC(=O)O 446c9fb74019ee2196c63ade707c10c3 [0,1,0,0,0,0|2,0,1]=4 760 B10R0.6 CCSCCN(C)CC(=O)O bf9cb6b97ff05d946ff937b1880a0d94 [0,1,0,0,0,0|2,0,1]=4 761 B10R0.6 CN(CCCCF)CC(=O)O 5b61e09434cdab4e8b2006d911810673 [0,1,0,0,0,0|2,0,1]=4 762 B10R0.6 CN(CCCCO)CC(=O)O 3fccb24de06af31e6c74eb15833d5ef5 [0,1,0,0,0,0|2,0,1]=4 763 B10R0.6 COCCCN(C)CC(=O)O 570ce0e05954c4a488f48f559ecab73e [0,1,0,0,0,0|2,0,1]=4 764 B10R0.6 COCOCC(=O)CC(=O)O a6946ca16359570801a3c76919cd71d1 [0,1,0,0,0,0|2,0,1]=4 765 B10R0.6 CSCCCN(C)CC(=O)O fa30553e74200a7f26d562b5c7e9478c [0,1,0,0,0,0|2,0,1]=4 766 B10R0.6 O=C(O)CC(=O)CNCCBr 82e0e668c384b170aed0dbb4e34bd4ba [0,1,0,0,0,0|2,0,1]=4 767 B10R0.6 O=C(O)CC(=O)CNCCF caa739aa966fcc3f52f858de553c04bd [0,1,0,0,0,0|2,0,1]=4 768 B10R0.6 O=C(O)CC(=O)CNCCI cf7bae5a88ee79306dad6b77fc09e0f1 [0,1,0,0,0,0|2,0,1]=4 769 B10R0.6 O=C(O)CC(=O)CNCCO 6ae5f72703702de5adde9546d1103b20 [0,1,0,0,0,0|2,0,1]=4 770 B10R0.6 O=C(O)CC(=O)CNCCS e4245758e82e3340c8a8b2d9fb429ee2 [0,1,0,0,0,0|2,0,1]=4 771 B10R0.6 O=C(O)CC(=O)COCCS aac2e300cf5e1a95070774a41d84a7f5 [0,1,0,0,0,0|2,0,1]=4 772 B10R0.22 CCCCCNCS(=O)(=O)O c21120f6eb43d826bbb53ef10a2854ff [0,1,0,0,0,0|2,0,1]=4 773 B10R0.55 C#CC(C)NC/C=C/C(=O)O 8c9061c6179ca0aec498966dc8464364 [0,1,0,0,0,0|1,0,2]=4 774 B10R0.55 C#CC(C)NCC=CC(=O)O 3323d45efbeaef58b9e4be7a3246d733 [0,1,0,0,0,0|1,0,2]=4 775 B10R0.55 C#CC(C)OC/C=C/C(=O)O c6466ccf45f283051533a6e0a4d90cb4 [0,1,0,0,0,0|1,0,2]=4 776 B10R0.55 C#CC(C)OCC=CC(=O)O fdabaa06ad3ee94c33a352f7c1fc3ea8 [0,1,0,0,0,0|1,0,2]=4 777 B10R0.55 C#C[C@@H](C)NC/C=C/C(=O)O 1c1781467921c3fac0b95ff9ef0d0b1a [0,1,0,0,0,0|1,0,2]=4 778 B10R0.55 C#C[C@@H](C)NCC=CC(=O)O acb19cabc5200cb02c64e72acfd704d1 [0,1,0,0,0,0|1,0,2]=4 779 B10R0.55 C#C[C@@H](C)OC/C=C/C(=O)O a57cb6c1ba0a0068cc7d86f4622698c9 [0,1,0,0,0,0|1,0,2]=4 780 B10R0.55 C#C[C@@H](C)OCC=CC(=O)O 260a3cb3dd3ea1cc425c048e28ea6e7e [0,1,0,0,0,0|1,0,2]=4 781 B10R0.55 C#C[C@H](C)NC/C=C/C(=O)O 9c0b9ece3835f694e714b42c8ba5bea4 [0,1,0,0,0,0|1,0,2]=4 782 B10R0.55 C#C[C@H](C)NCC=CC(=O)O 9fe69dc8ddcd179680f868853871a7e4 [0,1,0,0,0,0|1,0,2]=4 783 B10R0.55 C#C[C@H](C)OC/C=C/C(=O)O d749ce486c6365e50b68cf0368574675 [0,1,0,0,0,0|1,0,2]=4 784 B10R0.55 C#C[C@H](C)OCC=CC(=O)O 52b4e2fb4efe91f6446fa35ec5c9d0f1 [0,1,0,0,0,0|1,0,2]=4 785 B10R0.55 C=CC(C)NC/C=C/C(=O)O a966e95274750cd025a7251516c95c27 [0,1,0,0,0,0|1,0,2]=4 786 B10R0.55 C=CC(C)NCC=CC(=O)O 1a6f5e153a3a2d904e5c23b2046ebbfc [0,1,0,0,0,0|1,0,2]=4 787 B10R0.55 C=CC(C)OC/C=C/C(=O)O 6512071d27d188ca8df4f004eb6524c8 [0,1,0,0,0,0|1,0,2]=4 788 B10R0.55 C=CC(C)OCC=CC(=O)O 3cf3be27adacb2d199b5d5f26181a898 [0,1,0,0,0,0|1,0,2]=4 789 B10R0.55 C=C[C@H](C)OC/C=C/C(=O)O 88fe8480048891c02bf0231cd084f7f6 [0,1,0,0,0,0|1,0,2]=4 790 B10R0.55 C=C[C@H](C)OCC=CC(=O)O d92ac5b2874456c13473bca3785bbdb2 [0,1,0,0,0,0|1,0,2]=4 791 B10R0.55 CC(C#N)NC/C=C/C(=O)O e5b7c7bf8f190a50ae22ee4f89a8e168 [0,1,0,0,0,0|2,0,1]=4 792 B10R0.55 CC(C#N)NCC=CC(=O)O e1614488754c6f0060978b8c55f4e9a8 [0,1,0,0,0,0|2,0,1]=4 793 B10R0.55 CC(C=O)NC/C=C/C(=O)O 23c1e4a210ada544696cbb9016559666 [0,1,0,0,0,0|2,0,1]=4 794 B10R0.55 CC(C=O)NCC=CC(=O)O 92a8016f6734e7c2c43be4e8afd40ce6 [0,1,0,0,0,0|2,0,1]=4 795 B10R0.55 CC(C=O)OC/C=C/C(=O)O 3d5c7fa776f4fb60c5f17ddf4940fd10 [0,1,0,0,0,0|2,0,1]=4 796 B10R0.55 CC(C=O)OCC=CC(=O)O c7fada5d2331826a99c95f5b0933c323 [0,1,0,0,0,0|2,0,1]=4 797 B10R0.55 CC(CF)OC/C=C/C(=O)O 094b60e95fd2e5fb4108a0a6e28b6f85 [0,1,0,0,0,0|2,0,0]=3 798 B10R0.55 CC(CF)OCC=CC(=O)O a6ee575b17d3d051e3126a05778573ef [0,1,0,0,0,0|2,0,0]=3 799 B10R0.55 CC(CO)CCNCC(=O)O 76e53dc0e47802591bb76501244ac685 [0,1,0,0,0,0|2,0,1]=4 800 B10R0.55 CC(CO)NC/C=C/C(=O)O 8790c719ef64182189f6328b3f572b0f [0,1,0,0,0,0|2,0,0]=3 801 B10R0.55 CC(CO)NCC=CC(=O)O b4a82a079a716abe7a6c8bc88195796f [0,1,0,0,0,0|2,0,0]=3 802 B10R0.55 CCC(C)CCNCC(=O)C facdc2ba8c1df1c3d1ed979ce1e598a9 [0,1,0,0,0,0|2,0,1]=4 803 B10R0.55 CCC(C)CCNCC(=O)N 5e171110451912bb3e00b784eb9b4a00 [0,1,0,0,0,0|2,0,1]=4 804 B10R0.55 CCC(C)CCNCC(=O)O c0874586a90d929f810e9434f0871a82 [0,1,0,0,0,0|1,0,1]=3 805 B10R0.55 CCC(C)CCOCC(=O)C 979c0077b343550b911854fe59bc8f4c [0,1,0,0,0,0|2,0,1]=4 806 B10R0.55 CCC(C)CCOCC(=O)N 0d1a1fff7700b9c53ef8784518184cd4 [0,1,0,0,0,0|2,0,1]=4 807 B10R0.55 CCC(C)CCOCC(=O)O 7117a92df12d1ec50f15d4a89cc4ac88 [0,1,0,0,0,0|1,0,1]=3 808 B10R0.55 CCC(C)CCOCS(=O)O 19d775bd40f1706177c144548df35ad5 [0,1,0,0,0,0|2,0,1]=4 809 B10R0.55 CCC(C)CNCCC(=O)O 59b5d5020b32cc2e945dd8bd129e7849 [0,1,0,0,0,0|1,0,2]=4 810 B10R0.55 CCC(C)COCCC(=O)O efb34b64423e58caf238b1d103aacee4 [0,1,0,0,0,0|1,0,2]=4 811 B10R0.55 CCC(C)NC/C=C/C(=O)O 3d945143c4cab75950c671275c114ce7 [0,1,0,0,0,0|1,0,0]=2 812 B10R0.55 CCC(C)NCC#CC(=O)O 6454a18584ab4c1fdf30150251021a6f [0,1,0,0,0,0|1,0,2]=4 813 B10R0.55 CCC(C)NCC=CC(=O)O 69b50bfc056170b04e8a5a2e45347e2a [0,1,0,0,0,0|1,0,0]=2 814 B10R0.55 CCC(C)NCCCC(=O)O 64a52db70ffa28e8d94ac0fb7ba9bff0 [0,1,0,0,0,0|1,0,2]=4 815 B10R0.55 CCC(C)OC/C=C/C(=O)O 2c6decb2bc694310f689f26106a87e9f [0,1,0,0,0,0|1,0,0]=2 816 B10R0.55 CCC(C)OCC#CC(=O)O dcf8b23ccb13989fc5cf43562aa47fa9 [0,1,0,0,0,0|1,0,2]=4 817 B10R0.55 CCC(C)OCC=CC(=O)O 681401e661bc18a6e94e20d0dfa8e2e5 [0,1,0,0,0,0|1,0,0]=2 818 B10R0.55 CCC(O)CNCCC(=O)O f2e5f0523ee086cdc346a6a74ffc1f7a [0,1,0,0,0,0|1,0,2]=4 819 B10R0.55 CCC(S)CCOCC(=O)N 1eb26bf8439923782011553c82ea1c55 [0,1,0,0,0,0|2,0,1]=4 820 B10R0.55 CCC(S)CCOCC(=O)O 7c10a908924967e816777ee1692ae82c [0,1,0,0,0,0|1,0,1]=3 821 B10R0.55 CCN(C)CCCCC(=O)O bb82b1e460f16fb8943314d08f43ab8d [0,1,0,0,0,0|1,0,2]=4 822 B10R0.55 CCN(C)CCOCC(=O)O 110ce6d851c215b8e4f88e1d7e18be42 [0,1,0,0,0,0|2,0,1]=4 823 B10R0.55 CC[C@@H](C)CNCCC(=O)O 82dcea8aa970a6c213be42262f949a4e [0,1,0,0,0,0|1,0,2]=4 824 B10R0.55 CC[C@@H](C)COCCC(=O)O 629ee50c5237c26e522b779665a79820 [0,1,0,0,0,0|1,0,2]=4 825 B10R0.55 CC[C@@H](C)NC/C=C/C(=O)O 120d9b947983394f864ab3142af1741a [0,1,0,0,0,0|1,0,0]=2 826 B10R0.55 CC[C@@H](C)NCC=CC(=O)O a76ea54b78d64bffceae8be888cd9aed [0,1,0,0,0,0|1,0,0]=2 827 B10R0.55 CC[C@@H](C)OC/C=C/C(=O)O cbe082339e3123d77186acaf9688d18c [0,1,0,0,0,0|1,0,0]=2 828 B10R0.55 CC[C@@H](C)OCC=CC(=O)O 253540fa0bd12bf807e7239d85ee7269 [0,1,0,0,0,0|1,0,0]=2 829 B10R0.55 CC[C@@H](O)CNCCC(=O)O 794f3282a52a6371036819fd43d83f09 [0,1,0,0,0,0|1,0,2]=4 830 B10R0.55 CC[C@H](C)CCOCC(=O)N a51b2b4180151e1c2a5e55e083ac9521 [0,1,0,0,0,0|2,0,1]=4 831 B10R0.55 CC[C@H](C)CCOCC(=O)O b546808bbdd613ca75fdde6febc8af06 [0,1,0,0,0,0|1,0,1]=3 832 B10R0.55 CC[C@H](C)CNCCC(=O)O 3f0ee1f7c0bd3c6154f1e43c34026b88 [0,1,0,0,0,0|1,0,2]=4 833 B10R0.55 CC[C@H](C)COCCC(=O)O a1e225dba7ca62fe9106f920f556fe63 [0,1,0,0,0,0|1,0,2]=4 834 B10R0.55 CC[C@H](C)NC/C=C/C(=O)O 6b055e68af5b0ed8587bdafdebf6aed7 [0,1,0,0,0,0|1,0,0]=2 835 B10R0.55 CC[C@H](C)NCC=CC(=O)O 6357733e580260f24b7fe602708fb5ed [0,1,0,0,0,0|1,0,0]=2 836 B10R0.55 CC[C@H](C)OC/C=C/C(=O)O b9d94e44cfe67c77000ec7ed04b5505b [0,1,0,0,0,0|1,0,0]=2 837 B10R0.55 CC[C@H](C)OCC=CC(=O)O 51f5516198ae5f2f401a6ce354288fc6 [0,1,0,0,0,0|1,0,0]=2 838 B10R0.55 COC(C)CCOCC(=O)O a2155429e5a25c44b3afa674ae166c89 [0,1,0,0,0,0|2,0,1]=4 839 B10R0.55 C[C@@H](CO)CCNCC(=O)O 70c198e2423239414e886a5059898ac5 [0,1,0,0,0,0|2,0,1]=4 840 B10R0.55 C[C@@H](CO)NC/C=C/C(=O)O bfed494d19eb04ca513f74bc2ead0e5c [0,1,0,0,0,0|2,0,0]=3 841 B10R0.55 C[C@@H](CO)NCC=CC(=O)O 6a471120133c1dbf31b688938970b3a0 [0,1,0,0,0,0|2,0,0]=3 842 B10R0.55 C[C@H](C=O)NC/C=C/C(=O)O f99faefda301333bbf7c307bda9f2b97 [0,1,0,0,0,0|2,0,1]=4 843 B10R0.55 C[C@H](C=O)NCC=CC(=O)O 7ab9a616be2471a209de2092d9693548 [0,1,0,0,0,0|2,0,1]=4 844 B10R0.55 C[C@H](C=O)OC/C=C/C(=O)O 0e8f9748a68e29e0194f6e1a9686967e [0,1,0,0,0,0|2,0,1]=4 845 B10R0.55 C[C@H](C=O)OCC=CC(=O)O 78e5cfb9f002bbd9ada993a1df402279 [0,1,0,0,0,0|2,0,1]=4 846 B10R0.55 C[C@H](CO)NC/C=C/C(=O)O e4a40c3bec4ef9da2c7a3f4d6f5022c9 [0,1,0,0,0,0|2,0,0]=3 847 B10R0.55 C[C@H](CO)NCC=CC(=O)O 55ee09e5022ec807a7fee124a323015a [0,1,0,0,0,0|2,0,0]=3 848 B10R0.55 N#CC(F)NC/C=C/C(=O)O 11beee2c0f794a155038affc0528f66f [0,1,0,0,0,0|2,0,1]=4 849 B10R0.55 N#CC(F)NCC=CC(=O)O df9e8704be6e2ae70d1eae5f011ca731 [0,1,0,0,0,0|2,0,1]=4 850 B10R0.55 O=C(O)CNCCC(O)CO b51fb04be35adce87fe9e3371df0c242 [0,1,0,0,0,0|2,0,1]=4 851 B10R0.74 C#CC(=O)NCCCCCC 9ce0dcb0417530c831957f5468426ec6 [0,1,0,0,0,0|2,0,1]=4 852 B10R0.74 C#CCNC/C=C/C(=O)OC 126a5fc28b295206ef3e2dae181ca65d [0,1,0,0,0,0|1,0,2]=4 853 B10R0.74 C#CCNC/C=C\C(=O)OC 46cdc648962e4664b626aae619b5e3a8 [0,1,0,0,0,0|1,0,2]=4 854 B10R0.74 C#CCNCC=CC(=O)OC d833cecf4ce9a28eaeb11979d69a392d [0,1,0,0,0,0|1,0,2]=4 855 B10R0.74 C#CCOC/C=C/C(=O)OC 461371d38c505bbd31a52664f8c8c360 [0,1,0,0,0,0|1,0,2]=4 856 B10R0.74 C#CCOC/C=C\C(=O)OC 1b651c90a4db789c89cdbe6985442027 [0,1,0,0,0,0|1,0,2]=4 857 B10R0.74 C#CCOCC=CC(=O)OC adbc361c9e7826f8e5bda80f6b119acb [0,1,0,0,0,0|1,0,2]=4 858 B10R0.74 C=C(C=O)OCCCCCC 940d42a6ab41c79281a642305f54c21a [0,1,0,0,0,0|2,0,1]=4 859 B10R0.74 C=C(CNCCCCC)OC 7ceed52b8862c2740fad9864ee680023 [0,1,0,0,0,0|2,0,1]=4 860 B10R0.74 C=C(CO)CNCCCCC 47cc22d1e0bb02b8d80aa229030b73ad [0,1,0,0,0,0|2,0,1]=4 861 B10R0.74 C=C(COCCCCC)OC 1bd3146a306a9b176c071f317d4b189d [0,1,0,0,0,0|2,0,1]=4 862 B10R0.74 C=CC(=O)NCCCCCC 88ce4279cd9f4230d78384982723ab15 [0,1,0,0,0,0|2,0,1]=4 863 B10R0.74 C=CCOC/C=C/C(=O)OC 432dcd1557658b8f12403efbf072adba [0,1,0,0,0,0|1,0,2]=4 864 B10R0.74 CCCCCCNC(=O)C=O 77542971675e4c1be34f9cc380438664 [0,1,0,0,0,0|1,0,2]=4 865 B10R0.74 CCCCCCNC(=O)CC f0032df3cc8c2000bc1576b718e1412f [0,1,0,0,0,0|2,0,1]=4 866 B10R0.74 CCCCCCNC(=O)CF 738680f040b17c056aa0d8344a6ec8af [0,1,0,0,0,0|2,0,1]=4 867 B10R0.74 CCCCCCNC(=O)CO e8cf9f23cdf04b79897a080a69f10636 [0,1,0,0,0,0|1,0,1]=3 868 B10R0.74 CCCCCCNC(=O)CS 3e91e20700d92addaced40b0a6fc3a10 [0,1,0,0,0,0|1,1,1]=4 869 B10R0.74 CCCCCNCC(=O)CC 9dd2e224792ae6d66bce0b7cb1ae679b [0,1,0,0,0,0|2,0,1]=4 870 B10R0.74 CCCCCNCC(=O)CO 6b2786aaa9795a5c5117cb363febeda7 [0,1,0,0,0,0|1,0,1]=3 871 B10R0.74 CCCCCNCC(=O)NC 824806198187a2c8b60b648f0512f923 [0,1,0,0,0,0|2,0,1]=4 872 B10R0.74 CCCCCNCC(=O)NO aea682c668d0435bfcc8e8bd09e49795 [0,1,0,0,0,0|1,0,1]=3 873 B10R0.74 CCCCCNCC(=O)OC 648365248fe1587b1bbc2cd6174118d5 [0,1,0,0,0,0|1,0,1]=3 874 B10R0.74 CCCCCOCC(=O)CC dbc68622c1630e1162d4ac42bae10c20 [0,1,0,0,0,0|2,0,1]=4 875 B10R0.74 CCCCCOCC(=O)NC 7963aeae3ec675f3acaacb8898855202 [0,1,0,0,0,0|2,0,1]=4 876 B10R0.74 CCCCCOCC(=O)OC b7118d3515803bc38039c9851ac2a113 [0,1,0,0,0,0|1,0,1]=3 877 B10R0.74 CCCCNCCC(=O)NO 939516755ac6ecba6fceb322e131b37b [0,1,0,0,0,0|1,0,2]=4 878 B10R0.74 CCCCNCCC(=O)OC 09ad74908609854771fdcf0490c9897c [0,1,0,0,0,0|1,0,2]=4 879 B10R0.74 CCCCNCOC(=O)OC b9862ebe4e8cf9ca635d6e2c0b6a69d3 [0,1,0,0,0,0|2,0,1]=4 880 B10R0.74 CCCCOCCC(=O)OC e3be7e6d51b5d91e883aedbf1fdb6a9f [0,1,0,0,0,0|1,0,2]=4 881 B10R0.74 CCCCOCOC(=O)OC f2b08abd9d6a5d7efd1cbb987a41251e [0,1,0,0,0,0|2,0,1]=4 882 B10R0.74 CCCNC/C=C/C(=O)OC d187b40bc82130c5216e6dc2996aa46d [0,1,0,0,0,0|1,0,0]=2 883 B10R0.74 CCCNC/C=C\C(=O)OC d531e3c68942266bed58d1eba3e9966a [0,1,0,0,0,0|1,0,0]=2 884 B10R0.74 CCCNCC#CC(=O)OC fa9c5088cb0bba6fdab9fe49508304f7 [0,1,0,0,0,0|1,0,2]=4 885 B10R0.74 CCCNCC=CC(=O)OC 350c6262148a20258506775102337b8b [0,1,0,0,0,0|1,0,0]=2 886 B10R0.74 CCCNCCCC(=O)OC b16643f72059eae0ad94565e3f229a1f [0,1,0,0,0,0|1,0,2]=4 887 B10R0.74 CCCOC/C=C/C(=O)OC bfce11a355dc4f4a5487c0dbb8f55e6b [0,1,0,0,0,0|1,0,0]=2 888 B10R0.74 CCCOC/C=C\C(=O)OC dcfa8ae3af300ec4f68156f25ffba366 [0,1,0,0,0,0|1,0,0]=2 889 B10R0.74 CCCOCC#CC(=O)OC c1615b7f88b4176630c07fca414f7744 [0,1,0,0,0,0|1,0,2]=4 890 B10R0.74 CCCOCC=CC(=O)OC 6c5e7ef1753396b9c64f09bd9c14ee05 [0,1,0,0,0,0|1,0,0]=2 891 B10R0.74 CCCOCCCC(=O)OC 6777d826a7092669282f32ac583d5482 [0,1,0,0,0,0|1,0,2]=4 892 B10R0.74 CCCOCCNC(=O)CO 2ce5430bc5513b3c98ba20d9c18070bf [0,1,0,0,0,0|2,0,1]=4 893 B10R0.74 CCCOCCOC(=O)OC 19df69bdbd15a1dd1020380f97d55a25 [0,1,0,0,0,0|2,0,1]=4 894 B10R0.74 CCNCCCCC(=O)OC 2fc49225e902a66c0506ebb2378fe230 [0,1,0,0,0,0|1,0,2]=4 895 B10R0.74 CCOCCCCC(=O)OC 26c440802f326860db2c18e76f91ac90 [0,1,0,0,0,0|1,0,2]=4 896 B10R0.74 CCOCCCNC(=O)CO de34d34d4a02261ee053fc87ff9ef871 [0,1,0,0,0,0|2,0,1]=4 897 B10R0.74 CCOCCNCC(=O)CO 1ea2cbfc198fa2591d39a771b8e1e70f [0,1,0,0,0,0|2,0,1]=4 898 B10R0.74 CCOCCNCC(=O)NO 748a9fe806afccf2a109d95b53a47005 [0,1,0,0,0,0|2,0,1]=4 899 B10R0.74 CCOCCNCC(=O)OC 4e8de05c8bba98d3809ba8d488720d7e [0,1,0,0,0,0|2,0,1]=4 900 B10R0.74 CCOCCOCC(=O)OC a85fffda64a094bd9fa34bf171e10958 [0,1,0,0,0,0|2,0,1]=4 901 B10R0.74 CCSCCNCC(=O)CO 4a5459b1f42cec65e48cf1e4b9606975 [0,1,0,0,0,0|2,0,1]=4 902 B10R0.74 CCSCCNCC(=O)NO 7f10bbdce3cb96363049e3b1f29984c9 [0,1,0,0,0,0|2,0,1]=4 903 B10R0.74 CCSCCNCC(=O)OC 1ffb21202fa1cb9c1e862f710d175ea3 [0,1,0,0,0,0|2,0,1]=4 904 B10R0.74 CCSCCOCC(=O)OC 5721b0d191f483b2c5970b87ced2a450 [0,1,0,0,0,0|2,0,1]=4 905 B10R0.74 COC(=O)/C=C/CNCC#N 0474f0820424f74120e12f0fd7642625 [0,1,0,0,0,0|2,0,1]=4 906 B10R0.74 COC(=O)/C=C/CNCCBr 73677ab34b774abf24778f86bf131e1e [0,1,0,0,0,0|2,0,0]=3 907 B10R0.74 COC(=O)/C=C/CNCCF 57a2bbd0230ce1628f775ab39fefb743 [0,1,0,0,0,0|2,0,0]=3 908 B10R0.74 COC(=O)/C=C/CNCCI 5ddcff647664867ecd395ab4dc647af1 [0,1,0,0,0,0|2,0,0]=3 909 B10R0.74 COC(=O)/C=C/CNCCO 99ad6690606683c7fe3601f45e5995f7 [0,1,0,0,0,0|2,0,0]=3 910 B10R0.74 COC(=O)/C=C/CNCCS d5b945c8957b5a8c2c409094f3ed814f [0,1,0,0,0,0|2,0,0]=3 911 B10R0.74 COC(=O)/C=C/COCC#N 5e649b4ca69e35e022f63e51389d3a4f [0,1,0,0,0,0|2,0,1]=4 912 B10R0.74 COC(=O)/C=C/COCC=O ad4b690689e0da46346bffcb26e4ac31 [0,1,0,0,0,0|2,0,1]=4 913 B10R0.74 COC(=O)/C=C/COCCF f91c5100843d61bea777edf3a6c99ecd [0,1,0,0,0,0|2,0,0]=3 914 B10R0.74 COC(=O)/C=C/COCCS 64f3c59868ecfbc89055a5a60a27a1e4 [0,1,0,0,0,0|2,0,0]=3 915 B10R0.74 COC(=O)/C=C/COCSC 6d044bd479e670a6ad22c79ec4215d9d [0,1,0,0,0,0|2,0,0]=3 916 B10R0.74 COC(=O)/C=C\CNCC#N 86dfa7355ea2d4c56e55c5ecb1f445c3 [0,1,0,0,0,0|2,0,1]=4 917 B10R0.74 COC(=O)/C=C\CNCCBr c1e749ea2e852bb9b90c9abfaa70ab2e [0,1,0,0,0,0|2,0,0]=3 918 B10R0.74 COC(=O)/C=C\CNCCF aceefae84eda509e759bb162e7c5aae4 [0,1,0,0,0,0|2,0,0]=3 919 B10R0.74 COC(=O)/C=C\CNCCI 66711c5707b35441398e3dd21d541b4e [0,1,0,0,0,0|2,0,0]=3 920 B10R0.74 COC(=O)/C=C\CNCCO 2c8ef9eb8250cd8b1316c6bd7529bdfa [0,1,0,0,0,0|2,0,0]=3 921 B10R0.74 COC(=O)/C=C\CNCCS 9cc9d95bcda5e83dac99b512ee992bf0 [0,1,0,0,0,0|2,0,0]=3 922 B10R0.74 COC(=O)/C=C\COCC#N ba9cbd4f64bf337ad834379008889681 [0,1,0,0,0,0|2,0,1]=4 923 B10R0.74 COC(=O)/C=C\COCCF a388dcdda16c98c79cd713d02a940118 [0,1,0,0,0,0|2,0,0]=3 924 B10R0.74 COC(=O)/C=C\COCCS b375fd31f61d15b72cbea1f7caaafdb7 [0,1,0,0,0,0|2,0,0]=3 925 B10R0.74 COC(=O)C=CCNCC#N 5c4a69cab9bdd490b86a37e38ce023d4 [0,1,0,0,0,0|2,0,1]=4 926 B10R0.74 COC(=O)C=CCNCCBr 915a4a4e08dd469d7c4ee4a84ca507ab [0,1,0,0,0,0|2,0,0]=3 927 B10R0.74 COC(=O)C=CCNCCF ef03a3d8f9ecf0617be8671e6368792b [0,1,0,0,0,0|2,0,0]=3 928 B10R0.74 COC(=O)C=CCNCCI ee5f0a4fefc0a33f4255d31a0144152a [0,1,0,0,0,0|2,0,0]=3 929 B10R0.74 COC(=O)C=CCNCCO 6c521971a904a33f89836779f06fd78a [0,1,0,0,0,0|2,0,0]=3 930 B10R0.74 COC(=O)C=CCNCCS a6516dc0ec668e78ea6de7e34578df8b [0,1,0,0,0,0|2,0,0]=3 931 B10R0.74 COC(=O)C=CCOCC#N 1a641b25469a4eb65ac884b567d12416 [0,1,0,0,0,0|2,0,1]=4 932 B10R0.74 COC(=O)C=CCOCCF 7ff4d11cd6ea2ab3cf857743fea44c75 [0,1,0,0,0,0|2,0,0]=3 933 B10R0.74 COC(=O)C=CCOCCS a755c294ccec8e0758472fd9e63d811d [0,1,0,0,0,0|2,0,0]=3 934 B10R0.74 COC(=O)CNCCCCCl 5e9c4c1e412ed1d57e7a65a24f3d16e9 [0,1,0,0,0,0|2,0,1]=4 935 B10R0.74 COC(=O)CNCCCCF 9c6b6f9c58be9fe01b9d5c3b50313ca6 [0,1,0,0,0,0|2,0,1]=4 936 B10R0.74 COC(=O)CNCCCCO ea42ac0b81f4922b97a1f7174639fed1 [0,1,0,0,0,0|2,0,1]=4 937 B10R0.74 COC(=O)CNCCCCS 81de9b1e99aeb0dc4a838becc69c5385 [0,1,0,0,0,0|2,0,1]=4 938 B10R0.74 COC(=O)CNCCCSC 5fac51759d1aaf12d9eb7dac1709d600 [0,1,0,0,0,0|2,0,1]=4 939 B10R0.74 COC(=O)COCCCCF 004fc87d8325e555e0ba69b8de39ce15 [0,1,0,0,0,0|2,0,1]=4 940 B10R0.74 COC(=O)COCCCCS 66361017a5f0eedafd224c8fdcb3465c [0,1,0,0,0,0|2,0,1]=4 941 B10R0.74 COC(=O)COCCCSC cccf2e9fa2ee0349c1d66b0bc4f29a76 [0,1,0,0,0,0|2,0,1]=4 942 B10R0.74 COCCCCNC(=O)CO d7d94f3a67430ea44e1c65949e7a69c7 [0,1,0,0,0,0|2,0,1]=4 943 B10R0.74 COCCCNCC(=O)CO 4d2e6eb26214709d3c0db011581cbd09 [0,1,0,0,0,0|2,0,1]=4 944 B10R0.74 COCCCNCC(=O)NO 4dd5d90a34b287dc0f8454a4591e826e [0,1,0,0,0,0|2,0,1]=4 945 B10R0.74 COCCCNCC(=O)OC 32312a1b3f85bb4e70f6e4e37ca6fef7 [0,1,0,0,0,0|2,0,1]=4 946 B10R0.74 COCCCOCC(=O)OC d608caa140492e0b0fcb94dda1926cf5 [0,1,0,0,0,0|2,0,1]=4 947 B10R0.74 COCOC/C=C/C(=O)OC 175b76ddede30141c65013f476488129 [0,1,0,0,0,0|2,0,0]=3 948 B10R0.74 COCOC/C=C\C(=O)OC dcf94eed82c6bed54f6644ce8af5211b [0,1,0,0,0,0|2,0,0]=3 949 B10R0.74 COCOCC=CC(=O)OC cb63d2781613b42c8ccc03608ce7081e [0,1,0,0,0,0|2,0,0]=3 950 B10R0.74 CSCCCCNC(=O)CO 0897b4bc23cfc693fb313fd1e05b76d5 [0,1,0,0,0,0|2,0,1]=4 951 B10R0.74 CSCCCNCC(=O)CO 79cedfd00ec1fa793e7cf1eb627d5013 [0,1,0,0,0,0|2,0,1]=4 952 B10R0.74 CSCCCNCC(=O)NO 2e5ee0abbfe1b2a36f903e46ace45ca2 [0,1,0,0,0,0|2,0,1]=4 953 B10R0.74 O=C(CNCCCCF)NO 375575db4b9624c405e5f14553c801d2 [0,1,0,0,0,0|2,0,1]=4 954 B10R0.74 O=C(CNCCCCO)NO b6a072521c9247b905a9a160464cc7fe [0,1,0,0,0,0|2,0,1]=4 955 B10R0.74 O=C(CO)CNCCCCCl 2c3140c0f55a72e71c8b41008de91832 [0,1,0,0,0,0|2,0,1]=4 956 B10R0.74 O=C(CO)CNCCCCO 814979fe34337e9065f3333a43425939 [0,1,0,0,0,0|2,0,1]=4 957 B10R0.74 O=C(CO)CNCCCCS ed26889d691546d8252a9fc71c0f594d [0,1,0,0,0,0|2,0,1]=4 958 B10R0.74 O=C(CO)NCCCCCCl bb852b5e0473f7eaf3faafcb8f02cf64 [0,1,0,0,0,0|2,0,1]=4 959 B10R0.74 O=C(CO)NCCCCCO 8ea79bd119a2d2f4afdd555f388978a6 [0,1,0,0,0,0|2,0,1]=4 960 B10R0.75 C=C(Br)C(=O)NCCCCC 411c4c8903b3fa102e4208e7b57d5a8a [0,1,0,0,0,0|3,0,0]=4 961 B10R0.75 C=C(C)C(=O)NCCCCC 0d395da954277cf73f296326067ead17 [0,1,0,0,0,0|3,0,0]=4 962 B10R0.75 C=C(CNCCCC)C(=O)O 90c6758f38b15a80b5668669a296ef44 [0,1,0,0,0,0|1,0,1]=3 963 B10R0.75 C=C(CNCCCCl)C(=O)O e04a936a945b87846cd88fa44d678546 [0,1,0,0,0,0|2,0,1]=4 964 B10R0.75 C=C(CNCCCO)C(=O)O 873c1757e03ebf7c2e9f27dd44f11be1 [0,1,0,0,0,0|2,0,1]=4 965 B10R0.75 C=C(CNCCOC)C(=O)O 3932432bc213dc176e965fa29ca2c6f3 [0,1,0,0,0,0|2,0,1]=4 966 B10R0.75 C=C(CNCCSC)C(=O)O 2babeb4d147d08de129490ed68d14f53 [0,1,0,0,0,0|2,0,1]=4 967 B10R0.75 C=C(COCCCC)C(=O)O 303f29439868f140241b2ff20cda945b [0,1,0,0,0,0|1,0,1]=3 968 B10R0.75 C=C(COCCCF)C(=O)O fdccb192c80b7a82386488ccad8f4da4 [0,1,0,0,0,0|2,0,1]=4 969 B10R0.75 C=C(COCCCS)C(=O)O fc6431e3fc27b604130992848c4a80c7 [0,1,0,0,0,0|2,0,1]=4 970 B10R0.75 C=C(COCCOC)C(=O)O 98cca20b65154b519bfd69860d4caf7d [0,1,0,0,0,0|2,0,1]=4 971 B10R0.75 C=C(COCCSC)C(=O)O 797cf08e5ca6abe961b206910422f061 [0,1,0,0,0,0|2,0,1]=4 972 B10R0.75 C=C(Cl)C(=O)NCCCCC 1710c21e76a8c29d969adb9b2c6f0f6f [0,1,0,0,0,0|3,0,0]=4 973 B10R0.75 C=C(F)C(=O)NCCCCC 66e95918fa63b8f2f47c91a2c6da8fef [0,1,0,0,0,0|3,0,0]=4 974 B10R0.75 CC(=O)C(=O)NCCCCCl cba255cc9f558538f326b80a2aca9e36 [0,1,0,0,0,0|3,0,0]=4 975 B10R0.75 CC(=O)C(=O)NCCCCO 987c0737ae66cceefa6cabdebe8591a2 [0,1,0,0,0,0|3,0,0]=4 976 B10R0.75 CC(=O)C(=O)NCCCCS 07dd4528f4fd5fdaf3e70d7bab70d3b7 [0,1,0,0,0,0|3,0,0]=4 977 B10R0.75 CC(NCCCCCl)C(=O)O d271021c2d9d47a2f6cc0c2eeae5a722 [0,1,0,0,0,0|2,0,1]=4 978 B10R0.75 CC(NCCCCF)C(=O)O 09f114513d82b10b2f5267fc5c657bc6 [0,1,0,0,0,0|2,0,1]=4 979 B10R0.75 CC(NCCCCO)C(=O)O 93ff439164123a170d79c69960cbb0fa [0,1,0,0,0,0|2,0,1]=4 980 B10R0.75 CC(NCCCCS)C(=O)O 561b02452bd329de971313db988d141e [0,1,0,0,0,0|2,0,1]=4 981 B10R0.75 CC(OCCCCF)C(=O)O 9ff1bdb858ad98941411458741711e8e [0,1,0,0,0,0|2,0,1]=4 982 B10R0.75 CCCCCCN(C)C(=O)C a69bd745f8e8fa499fd546b6bf938c79 [0,1,0,0,0,0|2,0,1]=4 983 B10R0.75 CCCCCNC(=O)C(=O)C c5fb44bad35effa93753dbab29597d86 [0,1,0,0,0,0|2,0,0]=3 984 B10R0.75 CCCCCNC(=O)C(=O)N 8a1f1ba666c87de42c44cae834840010 [0,1,0,0,0,0|2,0,0]=3 985 B10R0.75 CCCCCNC(=O)C(C)O 8f5a10b89b3be95ffbd8765b41efe6d0 [0,1,0,0,0,0|2,0,1]=4 986 B10R0.75 CCCCCNC(=O)C(O)O 63321d5d5d5b76fd0a0d3effa4966298 [0,1,0,0,0,0|1,0,2]=4 987 B10R0.75 CCCCCNC(=O)[C@@H](C)O 84f3183c831e94915245b73813ad4dbd [0,1,0,0,0,0|2,0,1]=4 988 B10R0.75 CCCCCNC(=O)[C@H](C)O 04f72f3223bc2f6e46acdb3b80548911 [0,1,0,0,0,0|2,0,1]=4 989 B10R0.75 CCCCCNC(C)C(=O)C 73ac781cf588cfb07624e7989850afa4 [0,1,0,0,0,0|2,0,1]=4 990 B10R0.75 CCCCCNC(C)C(=O)N 03e9b662f5ad8e0b6a0436a2d3c53ba1 [0,1,0,0,0,0|2,0,1]=4 991 B10R0.75 CCCCCNC(C)C(=O)O 29f988631a687805f3237416e2d2a02d [0,1,0,0,0,0|1,0,1]=3 992 B10R0.75 CCCCCNC(O)C(=O)O 11dd94f84b7f3a6e3b26c0bb3600ff21 [0,1,0,0,0,0|1,0,1]=3 993 B10R0.75 CCCCCN[C@@H](C)C(=O)N 8567d2dba1431210118fb435b204fec8 [0,1,0,0,0,0|2,0,1]=4 994 B10R0.75 CCCCCN[C@@H](C)C(=O)O ac68191807acbe842f2911dfc8627408 [0,1,0,0,0,0|1,0,1]=3 995 B10R0.75 CCCCCN[C@H](C)C(=O)N 1decc19817fee4613ee0cac492f2ff64 [0,1,0,0,0,0|2,0,1]=4 996 B10R0.75 CCCCCN[C@H](C)C(=O)O cf05f4ee4299fbdf1ec78d0468c5276e [0,1,0,0,0,0|1,0,1]=3 997 B10R0.75 CCCCCOC(C)C(=O)C ef6c55e18179136cda5b21537b82a891 [0,1,0,0,0,0|2,0,1]=4 998 B10R0.75 CCCCCOC(C)C(=O)N 2052566ee2e5a58bbcc69cffbc985a74 [0,1,0,0,0,0|2,0,1]=4 999 B10R0.75 CCCCCOC(C)C(=O)O d9a0cb918530269c86b9f8f93a0b386e [0,1,0,0,0,0|1,0,1]=3 1000 B10R0.75 CCCCCOC(F)C(=O)N 27aecf7e27d511ba56dbadb469dd35a8 [0,1,0,0,0,0|2,0,1]=4 1001 B10R0.75 CCCCCOC(F)C(=O)O 2ec572c2e9f4242a425c59d79225beda [0,1,0,0,0,0|1,0,1]=3 1002 B10R0.75 CCCCCO[C@@H](C)C(=O)N e39c15bf8fe0533a164779a56832111d [0,1,0,0,0,0|2,0,1]=4 1003 B10R0.75 CCCCCO[C@@H](C)C(=O)O 699cec09f5a70bc50bc69a7af1564b33 [0,1,0,0,0,0|1,0,1]=3 1004 B10R0.75 CCCCCO[C@@H](F)C(=O)O 79f8f0368673871b87fc7c14e08ffcf9 [0,1,0,0,0,0|1,0,1]=3 1005 B10R0.75 CCCCCO[C@H](C)C(=O)N 7b6c5897aa3c2bbffd958cb2f9bf9014 [0,1,0,0,0,0|2,0,1]=4 1006 B10R0.75 CCCCCO[C@H](C)C(=O)O 1003b54a4dca2cab07f6967f17d22592 [0,1,0,0,0,0|1,0,1]=3 1007 B10R0.75 CCCCNCC(=O)C(=O)C 0d0d3fdb7b77d4b6f90ea0e306bc8ccd [0,1,0,0,0,0|2,0,1]=4 1008 B10R0.75 CCCCNCC(=O)C(=O)O 95c01b46824bdb27ecca3be11087cf31 [0,1,0,0,0,0|1,0,1]=3 1009 B10R0.75 CCCCNCC(C)C(=O)O 02eff386380973d7332643c2a188b57a [0,1,0,0,0,0|1,0,2]=4 1010 B10R0.75 CCCCNCC(F)C(=O)O fbfefce8391ae6e8024e364aa27530c8 [0,1,0,0,0,0|1,0,2]=4 1011 B10R0.75 CCCCNCC(O)C(=O)O da2c3a8a69842ffe785863280b660640 [0,1,0,0,0,0|1,0,2]=4 1012 B10R0.75 CCCCNC[C@@H](C)C(=O)O d1df5de4a71ab6f7e8e989d038fad739 [0,1,0,0,0,0|1,0,2]=4 1013 B10R0.75 CCCCNC[C@@H](O)C(=O)O 5b66b3027d8388c3490256190a312a34 [0,1,0,0,0,0|1,0,2]=4 1014 B10R0.75 CCCCNC[C@H](C)C(=O)O 65f054a415ca163ea28e66b9bc953c69 [0,1,0,0,0,0|1,0,2]=4 1015 B10R0.75 CCCCNC[C@H](O)C(=O)O 00525c3b8f131b1755fbc91245f8f510 [0,1,0,0,0,0|1,0,2]=4 1016 B10R0.75 CCCCOCC(=O)C(=O)C 4255e6c6251e616d96a6c29b03ef8892 [0,1,0,0,0,0|2,0,1]=4 1017 B10R0.75 CCCCOCC(=O)C(=O)O d3535938ddf4f3dfc1b8fc74dcce949f [0,1,0,0,0,0|1,0,1]=3 1018 B10R0.75 CCCCOCC(C)C(=O)O baf7c440c6a2420089b93e97589398f3 [0,1,0,0,0,0|1,0,2]=4 1019 B10R0.75 CCCCOC[C@@H](C)C(=O)O 5671fe1dae947507bb3c02b9404035ae [0,1,0,0,0,0|1,0,2]=4 1020 B10R0.75 CCCCOC[C@H](C)C(=O)O f7972fdad85ef578e0dc2f749638e6a4 [0,1,0,0,0,0|1,0,2]=4 1021 B10R0.75 CCCNCCC(F)C(=O)O 2a2568276e5eb43fc895e985846ab1ec [0,1,0,0,0,0|1,0,2]=4 1022 B10R0.75 CCCNCCC(O)C(=O)O 08214f6e444446f1f413bf6b23acc60d [0,1,0,0,0,0|1,0,2]=4 1023 B10R0.75 CCCNCC[C@H](O)C(=O)O 74498b599e1e0c5604c0b65ab1868257 [0,1,0,0,0,0|1,0,2]=4 1024 B10R0.75 CCOCCNC(=O)C(=O)C f9b8bfd1badec01564c6708e3b0ac8fe [0,1,0,0,0,0|3,0,0]=4 1025 B10R0.75 CCOCCNC(=O)C(=O)N bc809404428f8c61fb5151cf2b621f1f [0,1,0,0,0,0|3,0,0]=4 1026 B10R0.75 CCOCCNC(C)C(=O)O ef08817c771be84e64db3f245bafb75f [0,1,0,0,0,0|2,0,1]=4 1027 B10R0.75 CCOCCNC(O)C(=O)O 38dd7188acea30de6692252725150e10 [0,1,0,0,0,0|2,0,1]=4 1028 B10R0.75 CCOCCN[C@@H](C)C(=O)O 84ba79c30d2eea0bf00b8d2d09b974a9 [0,1,0,0,0,0|2,0,1]=4 1029 B10R0.75 CCOCCN[C@H](C)C(=O)O e55b64656b307a7c4c13c2e035868277 [0,1,0,0,0,0|2,0,1]=4 1030 B10R0.75 CCOCCOC(C)C(=O)O 1c591094468368ffc6a94f23ca2f8de2 [0,1,0,0,0,0|2,0,1]=4 1031 B10R0.75 CCOCCOC(F)C(=O)O 7ab1224bb172adc6a2b69d07728a4a80 [0,1,0,0,0,0|2,0,1]=4 1032 B10R0.75 CCOCCO[C@@H](C)C(=O)O e3e20225be33a13f522ac8ca6a24818d [0,1,0,0,0,0|2,0,1]=4 1033 B10R0.75 CCOCCO[C@@H](F)C(=O)O acc7e4058ab392167914da2b5eaec113 [0,1,0,0,0,0|2,0,1]=4 1034 B10R0.75 CCOCCO[C@H](C)C(=O)O 8275045aedec7c1f2661cf92eacfa66a [0,1,0,0,0,0|2,0,1]=4 1035 B10R0.75 CCSCCNC(=O)C(=O)C 3d584da6113254759e539bfb5b880cdf [0,1,0,0,0,0|3,0,0]=4 1036 B10R0.75 CCSCCNC(=O)C(=O)N f1a4e3c821caa289c5e76422fb9faaf6 [0,1,0,0,0,0|3,0,0]=4 1037 B10R0.75 CCSCCNC(C)C(=O)O 7a7857359a01722c27d9fed125ab9b9b [0,1,0,0,0,0|2,0,1]=4 1038 B10R0.75 CCSCCNC(O)C(=O)O 358234fc8c70e56614ee6a4f51e01c58 [0,1,0,0,0,0|2,0,1]=4 1039 B10R0.75 CCSCCN[C@@H](C)C(=O)O 3dd41b1c4c28723ec005f288616cdd91 [0,1,0,0,0,0|2,0,1]=4 1040 B10R0.75 CCSCCN[C@H](C)C(=O)O 53cb027dbc3a70a9769db64a3d56924a [0,1,0,0,0,0|2,0,1]=4 1041 B10R0.75 COCCCNC(=O)C(=O)C 90172547fc8fe56e4002f566851ff93c [0,1,0,0,0,0|3,0,0]=4 1042 B10R0.75 COCCCNC(=O)C(=O)N 0632bcf65ea723030c667faf6fe55b57 [0,1,0,0,0,0|3,0,0]=4 1043 B10R0.75 COCCCNC(C)C(=O)O 45c81d60a7166ef3ee37730a656100ce [0,1,0,0,0,0|2,0,1]=4 1044 B10R0.75 COCCCNC(O)C(=O)O 399472a0ab952b22b61cd89d15b1c1c8 [0,1,0,0,0,0|2,0,1]=4 1045 B10R0.75 COCCCN[C@@H](C)C(=O)O e1fc6c49b5046883d8614f3789a2233e [0,1,0,0,0,0|2,0,1]=4 1046 B10R0.75 COCCCN[C@H](C)C(=O)O 318ef2df13fbd4cff1fef50f645d3b6a [0,1,0,0,0,0|2,0,1]=4 1047 B10R0.75 COCCCOC(C)C(=O)O cd2cc57059e9967288c5964e1544ed1e [0,1,0,0,0,0|2,0,1]=4 1048 B10R0.75 COCCCO[C@@H](C)C(=O)O aa08a527ab8540e88a904a78886134dc [0,1,0,0,0,0|2,0,1]=4 1049 B10R0.75 COCCCO[C@H](C)C(=O)O ddf60be7f5ace046cd629eaf67ab2047 [0,1,0,0,0,0|2,0,1]=4 1050 B10R0.75 COCCNCC(=O)C(=O)O 9a8de3ec78d08942eaf4dfa9c0db1546 [0,1,0,0,0,0|2,0,1]=4 1051 B10R0.75 COCCOCC(=O)C(=O)O 290fff9a56c505cc3f14e6a9e3e7f30c [0,1,0,0,0,0|2,0,1]=4 1052 B10R0.75 CSCCCNC(=O)C(=O)C be26ed9333847cd58af45c26d3abaf91 [0,1,0,0,0,0|3,0,0]=4 1053 B10R0.75 CSCCCNC(=O)C(=O)N 60ccf18b9f944edc0050c3299f5fef90 [0,1,0,0,0,0|3,0,0]=4 1054 B10R0.75 CSCCCNC(C)C(=O)O 5903bf0a4c51ac888f9fbfe77202dc17 [0,1,0,0,0,0|2,0,1]=4 1055 B10R0.75 CSCCCNC(O)C(=O)O eef77495778746d208ec7c895aa071b3 [0,1,0,0,0,0|2,0,1]=4 1056 B10R0.75 CSCCCN[C@@H](C)C(=O)O 03e2cd7403b6528b92eb9a3f3c6a9bb0 [0,1,0,0,0,0|2,0,1]=4 1057 B10R0.75 CSCCCN[C@H](C)C(=O)O 8ae67649a32dd7bc2e5f5af8f340227c [0,1,0,0,0,0|2,0,1]=4 1058 B10R0.75 CSCCCOC(C)C(=O)O 6cd856e77fc5256fe7e8bd21b11421a3 [0,1,0,0,0,0|2,0,1]=4 1059 B10R0.75 CSCCCO[C@@H](C)C(=O)O 15c498607492dbc9fd744c417ce5d3f7 [0,1,0,0,0,0|2,0,1]=4 1060 B10R0.75 CSCCCO[C@H](C)C(=O)O 3d0d29529ab6bd519e4ff8f572e5a15e [0,1,0,0,0,0|2,0,1]=4 1061 B10R0.75 CSCCNCC(=O)C(=O)O 47aca582086f8163282ebf08a928b75f [0,1,0,0,0,0|2,0,1]=4 1062 B10R0.75 CSCCOCC(=O)C(=O)O 5552c7d28747906b6baba1facede0694 [0,1,0,0,0,0|2,0,1]=4 1063 B10R0.75 C[C@@H](NCCCCCl)C(=O)O dfcb9f8ae748465fc13532e2a08fec7a [0,1,0,0,0,0|2,0,1]=4 1064 B10R0.75 C[C@@H](NCCCCF)C(=O)O 49567e86b68642a599c2fc8a04ca58dc [0,1,0,0,0,0|2,0,1]=4 1065 B10R0.75 C[C@@H](NCCCCO)C(=O)O fc2960ab9447c61f7ee313406493816e [0,1,0,0,0,0|2,0,1]=4 1066 B10R0.75 C[C@@H](NCCCCS)C(=O)O 47848dd0075af980a92096b0fb7dffe0 [0,1,0,0,0,0|2,0,1]=4 1067 B10R0.75 C[C@@H](OCCCCF)C(=O)O 7bf7c08cd456746ff9c5a1093290cc12 [0,1,0,0,0,0|2,0,1]=4 1068 B10R0.75 C[C@H](NCCCCCl)C(=O)O 122350c1c341412d0d43bd05ab68f9e0 [0,1,0,0,0,0|2,0,1]=4 1069 B10R0.75 C[C@H](NCCCCF)C(=O)O 675b37b8e4240ba1491fee21927eb746 [0,1,0,0,0,0|2,0,1]=4 1070 B10R0.75 C[C@H](NCCCCO)C(=O)O c445a3e289904fa28e5ba8b7bd4aacc8 [0,1,0,0,0,0|2,0,1]=4 1071 B10R0.75 C[C@H](NCCCCS)C(=O)O bb4ebed3985048c148ce32657f9fd33f [0,1,0,0,0,0|2,0,1]=4 1072 B10R0.75 C[C@H](OCCCCF)C(=O)O d2b1e0a5c7f8bd0102a1a298b58e5b2c [0,1,0,0,0,0|2,0,1]=4 1073 B10R0.75 NC(=O)C(=O)NCCCCCl 0dcefa24117882f089f5dd295c2e268c [0,1,0,0,0,0|3,0,0]=4 1074 B10R0.75 NC(=O)C(=O)NCCCCO 9fcd4dc0e7d322c18279a74994bd0066 [0,1,0,0,0,0|3,0,0]=4 1075 B10R0.75 NC(=O)C(=O)NCCCCS 41a537bc9cc2bf7e2febcb4b865f617d [0,1,0,0,0,0|3,0,0]=4 1076 B10R0.75 O=C(O)C(=O)CNCCCCl fe34166c3771efc0850048b6fad5aeb7 [0,1,0,0,0,0|2,0,1]=4 1077 B10R0.75 O=C(O)C(=O)CNCCCO 9f8349478c39d748124dc94c91d1ada4 [0,1,0,0,0,0|2,0,1]=4 1078 B10R0.75 O=C(O)C(=O)COCCCF c6b59be8f94572b5e14f121ab4f990c3 [0,1,0,0,0,0|2,0,1]=4 1079 B10R0.75 O=C(O)C(O)NCCCCF a0563fa24d766451d7c8fc60ccc8f954 [0,1,0,0,0,0|2,0,1]=4 1080 B10R0.75 O=C(O)C(O)NCCCCO 7110ba7b7e3eb0eb4f8d0bf7331edb9e [0,1,0,0,0,0|2,0,1]=4 1081 B10R0.78 CC(CCCO)NCC(=O)O 562c0ea74055a258028dfcc28ad084dc [0,1,0,0,0,0|2,0,1]=4 1082 B10R0.78 CCCCC(C)NCC(=O)C aa0d7dc1e61d96887b1e23e6e9b1d801 [0,1,0,0,0,0|2,0,1]=4 1083 B10R0.78 CCCCC(C)NCC(=O)N 176470242cf4f5ef2e154a227705a141 [0,1,0,0,0,0|2,0,1]=4 1084 B10R0.78 CCCCC(C)NCC(=O)O ca8ad46e018df2faa99dbf908bd443e1 [0,1,0,0,0,0|1,0,1]=3 1085 B10R0.78 CCCCC(C)OCC(=O)C 1853e26f374aa2da1da8ca98875b6081 [0,1,0,0,0,0|2,0,1]=4 1086 B10R0.78 CCCCC(C)OCC(=O)N ffd58cfd46c48f74e3a7daf65636db71 [0,1,0,0,0,0|2,0,1]=4 1087 B10R0.78 CCCCC(C)OCC(=O)O a9747b2dc6b524106d5700f387a2a510 [0,1,0,0,0,0|1,0,1]=3 1088 B10R0.78 CCCCC(C)OCS(=O)O 93f7d7b5545c84594d88971bfad4d13f [0,1,0,0,0,0|2,0,1]=4 1089 B10R0.78 CCCCC(O)CNC(=O)C 3f59abebe6296b965d9d52498cad501b [0,1,0,0,0,0|2,0,1]=4 1090 B10R0.78 CCCCN(C)CCC(=O)O b806e1b2cd351dd886d8560ee659fbb1 [0,1,0,0,0,0|1,0,2]=4 1091 B10R0.78 CCCC[C@@H](C)NCC(=O)N f3619adc95ed56f1a5e04d3cfe0a5195 [0,1,0,0,0,0|2,0,1]=4 1092 B10R0.78 CCCC[C@@H](C)NCC(=O)O cdf353e5bc7239425db33062b64cab42 [0,1,0,0,0,0|1,0,1]=3 1093 B10R0.78 CCCC[C@@H](C)OCC(=O)N 728c4bfc1859e8955976444b5005cc9f [0,1,0,0,0,0|2,0,1]=4 1094 B10R0.78 CCCC[C@@H](C)OCC(=O)O fcdde6a6446f16e594fd1de5903e1b1b [0,1,0,0,0,0|1,0,1]=3 1095 B10R0.78 CCCC[C@H](C)OCC(=O)N 00a0583900b94345286d5c7c32f13dc6 [0,1,0,0,0,0|2,0,1]=4 1096 B10R0.78 CCCC[C@H](C)OCC(=O)O 7b88542caf2c6272fa28507597d32d4c [0,1,0,0,0,0|1,0,1]=3 1097 B10R0.78 CCCNC(=O)/C=C/C(=O)C 023443972f72c90c068ee13cf91b1055 [0,1,0,0,0,0|2,0,1]=4 1098 B10R0.78 CCCNC(=O)/C=C/C(=O)N f05e4e8ec21b75a60249a30f6480d351 [0,1,0,0,0,0|2,0,1]=4 1099 B10R0.78 CCCNC(=O)/C=C\C(=O)N 71136ca8ef43dadeb10c3daa2b17a4ac [0,1,0,0,0,0|2,0,1]=4 1100 B10R0.78 CCCNC(=O)C=CC(=O)C bf4993d97b5dfefb098c1801d09f3ab7 [0,1,0,0,0,0|2,0,1]=4 1101 B10R0.78 CCCNC(=O)C=CC(=O)N 716751936d8b136dbe6ae3a72dba6049 [0,1,0,0,0,0|2,0,1]=4 1102 B10R0.78 CCCNC(C)CCC(=O)O 571f95f24765651c01fcc52fa38fd0a0 [0,1,0,0,0,0|1,0,2]=4 1103 B10R0.78 CCCN[C@@H](C)CCC(=O)O 1755318cfb49486d14d8459d7a0a94b5 [0,1,0,0,0,0|1,0,2]=4 1104 B10R0.78 CCCOC(C)CCC(=O)O d80031c9b64791b5bc796683ccc38ba3 [0,1,0,0,0,0|1,0,2]=4 1105 B10R0.78 CCOCC(C)OCC(=O)O 4340885b9dc9f87664ce91ece35c53ed [0,1,0,0,0,0|2,0,1]=4 1106 B10R0.78 COCCC(C)OCC(=O)O 76ca78191cee40c1b9b8fb4f37b53d72 [0,1,0,0,0,0|2,0,1]=4 1107 B10R0.78 CSCCC(C)OCC(=O)O 7e21c7b86c9c1278fd86356500849ab4 [0,1,0,0,0,0|2,0,1]=4 1108 B10R0.78 C[C@H](CCCO)NCC(=O)O d581d9ae34e42ef5e62c3abf7ca11bff [0,1,0,0,0,0|2,0,1]=4 1109 B10R0.97 C=C(Br)CNC/C=C/C(=O)O 61463df4e47d74b0f5a6a547e38c4e54 [0,1,0,0,0,0|1,0,2]=4 1110 B10R0.97 C=C(Br)CNCC=CC(=O)O 039e92f5552946b07359bf3b2abc4ff0 [0,1,0,0,0,0|1,0,2]=4 1111 B10R0.97 C=C(Br)COC/C=C/C(=O)O f850092536761a08e5a939efd0e99c96 [0,1,0,0,0,0|1,0,2]=4 1112 B10R0.97 C=C(Br)COCC=CC(=O)O bd3de27e8504c6c8df333544b9884716 [0,1,0,0,0,0|1,0,2]=4 1113 B10R0.97 C=C(C)CCCNCC(=O)O 42dfb928d8650901d17252a4471d9dc3 [0,1,0,0,0,0|1,0,2]=4 1114 B10R0.97 C=C(C)CCCOCC(=O)O fa358228b12cd9fac1dbbf319cdffb52 [0,1,0,0,0,0|1,0,2]=4 1115 B10R0.97 C=C(C)CNC/C=C/C(=O)O 100889e74cefc73d2bc36055acf63860 [0,1,0,0,0,0|1,0,1]=3 1116 B10R0.97 C=C(C)CNCC=CC(=O)O ad8bdab10fa917734ba8e46a117adb02 [0,1,0,0,0,0|1,0,1]=3 1117 B10R0.97 C=C(C)COC/C=C/C(=O)O 39931b98a02e86b6c1600edf79093172 [0,1,0,0,0,0|1,0,1]=3 1118 B10R0.97 C=C(C)COCC=CC(=O)O e6f95d927c068c00899c69502cd8a4e8 [0,1,0,0,0,0|1,0,1]=3 1119 B10R0.97 C=C(Cl)CNC/C=C/C(=O)O 6e616e6a6595f5b0f950d06412e8c863 [0,1,0,0,0,0|1,0,2]=4 1120 B10R0.97 C=C(Cl)CNCC=CC(=O)O 14d417ce5e5cdcf18650058f6b6b46fa [0,1,0,0,0,0|1,0,2]=4 1121 B10R0.97 C=C(Cl)COC/C=C/C(=O)O 7202eb930adca753be2882a7e8f7f384 [0,1,0,0,0,0|1,0,2]=4 1122 B10R0.97 C=C(Cl)COCC=CC(=O)O 8c5234e97242eb49c901632aebabb9d5 [0,1,0,0,0,0|1,0,2]=4 1123 B10R0.97 C=C(F)CNC/C=C/C(=O)O 992c06ba7de68b4230dc622372d5ec7b [0,1,0,0,0,0|1,0,2]=4 1124 B10R0.97 C=C(F)CNCC=CC(=O)O 885f2832a13e3c7b4ac098723aa58eda [0,1,0,0,0,0|1,0,2]=4 1125 B10R0.97 C=C(F)COC/C=C/C(=O)O c924eefc1c63d12f56cce141a1303f27 [0,1,0,0,0,0|1,0,2]=4 1126 B10R0.97 C=C(F)COCC=CC(=O)O 72d27f5d3eca05de2dcc0f18ee827d9a [0,1,0,0,0,0|1,0,2]=4 1127 B10R0.97 C=C(I)COC/C=C/C(=O)O 1f808595865190c2053154c7899038a8 [0,1,0,0,0,0|1,0,2]=4 1128 B10R0.97 C=C(I)COCC=CC(=O)O 4c39659e9f4455c25db594953678f8f2 [0,1,0,0,0,0|1,0,2]=4 1129 B10R0.97 CC(=O)CCCNCC(=O)O 918b6ee5a87e78cab8f9c47454468e74 [0,1,0,0,0,0|1,0,2]=4 1130 B10R0.97 CC(=O)CCCOCC(=O)O 8a4a403788cd63620217d0d24efac923 [0,1,0,0,0,0|1,0,2]=4 1131 B10R0.97 CC(=O)CNC/C=C/C(=O)O 869d6d403d78bd31f27e4a0b98b8386c [0,1,0,0,0,0|1,0,1]=3 1132 B10R0.97 CC(=O)CNCC=CC(=O)O dc06b39e899cf13865982b455a5a88f8 [0,1,0,0,0,0|1,0,1]=3 1133 B10R0.97 CC(=O)CNCCCC(C)C 1fa04713272b1c98b03053df68f246e6 [0,1,0,0,0,0|2,0,1]=4 1134 B10R0.97 CC(=O)CNCCCC(C)O 5bed14fc9c7a9f12933f39db4b26ee7c [0,1,0,0,0,0|2,0,1]=4 1135 B10R0.97 CC(=O)COC/C=C/C(=O)O 835f45a21d795f6f03b834d1c3c8181a [0,1,0,0,0,0|1,0,1]=3 1136 B10R0.97 CC(=O)COCC=CC(=O)O e024a95447692641114060d8acf3a83e [0,1,0,0,0,0|1,0,1]=3 1137 B10R0.97 CC(=O)COCCCC(C)C beb7c1e583ddc432986e64bf98ccd874 [0,1,0,0,0,0|2,0,1]=4 1138 B10R0.97 CC(C)CCCNCC(=O)N d0a6930d5b59cb935bdb596cc82b62e5 [0,1,0,0,0,0|2,0,1]=4 1139 B10R0.97 CC(C)CCCNCC(=O)O 7b5eb9dbf8040a2662aff8c8cae111a2 [0,1,0,0,0,0|1,0,1]=3 1140 B10R0.97 CC(C)CCCOCC(=O)N 54e2d90a34c6a5f3c0b7e192e34d6af0 [0,1,0,0,0,0|2,0,1]=4 1141 B10R0.97 CC(C)CCCOCC(=O)O 946e4036f4ad307d3c3712db7f7590d3 [0,1,0,0,0,0|1,0,1]=3 1142 B10R0.97 CC(C)CCCOCS(=O)O 7352a701aea74ff5f0bd1e37bc147f98 [0,1,0,0,0,0|2,0,1]=4 1143 B10R0.97 CC(C)CCNCCC(=O)O 29e05adcace821b712e2551c82554863 [0,1,0,0,0,0|1,0,2]=4 1144 B10R0.97 CC(C)CCOCCC(=O)O e0795bebe5219e64bad949096de2aa71 [0,1,0,0,0,0|1,0,2]=4 1145 B10R0.97 CC(C)CNC/C=C/C(=O)O 5739b3fbf12b13bcc6280ec87ca72acb [0,1,0,0,0,0|1,0,0]=2 1146 B10R0.97 CC(C)CNCC#CC(=O)O 6096fac8a74f5d99ed0b8dd39e7677ab [0,1,0,0,0,0|1,0,2]=4 1147 B10R0.97 CC(C)CNCC=CC(=O)O 6043100451ffb1ae48fcf115d0c03a84 [0,1,0,0,0,0|1,0,0]=2 1148 B10R0.97 CC(C)CNCCCC(=O)O 26ee06db53a69b8e2393eec9461819e8 [0,1,0,0,0,0|1,0,2]=4 1149 B10R0.97 CC(C)COC/C=C/C(=O)O cb2fcfbaf77949a784c256e2b3c7751e [0,1,0,0,0,0|1,0,0]=2 1150 B10R0.97 CC(C)COCC#CC(=O)O fb6e535c4faa8120589282c0967e7993 [0,1,0,0,0,0|1,0,2]=4 1151 B10R0.97 CC(C)COCC=CC(=O)O a7305551f564720db4b3f6e889c4accb [0,1,0,0,0,0|1,0,0]=2 1152 B10R0.97 CC(C)NCCCCC(=O)O 8ca7ad1722d6df81b0afcb0267dc9593 [0,1,0,0,0,0|1,0,2]=4 1153 B10R0.97 CC(C)NCCOCC(=O)O 8f596033ae90bed52692346183e35aa2 [0,1,0,0,0,0|2,0,1]=4 1154 B10R0.97 CC(C)NCCSCC(=O)O f4f0b1259d1d3e976682f92ba469551e [0,1,0,0,0,0|2,0,1]=4 1155 B10R0.97 CC(C)OCCC#CC(=O)O 968677221d0bc27c21b89427757253af [0,1,0,0,0,0|1,0,2]=4 1156 B10R0.97 CC(C)OCCCCC(=O)O 080d97a0ede59999c48dbc5986ec4e9f [0,1,0,0,0,0|1,0,2]=4 1157 B10R0.97 CC(C)OCCNCC(=O)O d9233d6f5a2abb63d094bd87c8b4b4d9 [0,1,0,0,0,0|2,0,1]=4 1158 B10R0.97 CC(C)OCCOCC(=O)O ca126d53a6e1dd30f108e2c5d3635f3e [0,1,0,0,0,0|2,0,1]=4 1159 B10R0.97 CC(C)SCCNCC(=O)O c91a2f6904497100466c5d082ad912ae [0,1,0,0,0,0|2,0,1]=4 1160 B10R0.97 CC(C)SCCOCC(=O)O 08b0602bb90386df3f18be9d28ab2311 [0,1,0,0,0,0|2,0,1]=4 1161 B10R0.97 CC(F)COC/C=C/C(=O)O ca0145e9b48baad89df4634e060e4766 [0,1,0,0,0,0|1,0,0]=2 1162 B10R0.97 CC(F)COCC=CC(=O)O d36a7037b6fb9c8eff156caeb1f362df [0,1,0,0,0,0|1,0,0]=2 1163 B10R0.97 CC(O)CCCNCC(=O)N 39fb65e87f0298671245faa925118ac4 [0,1,0,0,0,0|2,0,1]=4 1164 B10R0.97 CC(O)CCCNCC(=O)O bccb9d805e09a648643e850da2fcab8c [0,1,0,0,0,0|1,0,1]=3 1165 B10R0.97 CC(O)CCNCCC(=O)O 5cb6ca88c78ab71b45fe05defd351d6b [0,1,0,0,0,0|1,0,2]=4 1166 B10R0.97 CC(O)CNC/C=C/C(=O)O 5901a30aac7aec25e8c54b71317ceda6 [0,1,0,0,0,0|1,0,0]=2 1167 B10R0.97 CC(O)CNCC#CC(=O)O feed19e37a45dea8b9f2cc5ba32ef815 [0,1,0,0,0,0|1,0,2]=4 1168 B10R0.97 CC(O)CNCC=CC(=O)O 502e473965995f46d4cbc728dcfabd5f [0,1,0,0,0,0|1,0,0]=2 1169 B10R0.97 CC(O)CNCCCC(=O)O 803531ff04b8ba4f1800dccdadb7502b [0,1,0,0,0,0|1,0,2]=4 1170 B10R0.97 CC(S)COC/C=C/C(=O)O 2c62a0d63b836b0a15ef51bdd8bd6d69 [0,1,0,0,0,0|1,0,0]=2 1171 B10R0.97 CC(S)COCC=CC(=O)O 575bf131174d6aa8de4070ee1300770a [0,1,0,0,0,0|1,0,0]=2 1172 B10R0.97 CN(C)CCCNCC(=O)O f36d6ac8916669e62c0924b9cda2e0f5 [0,1,0,0,0,0|2,0,1]=4 1173 B10R0.97 CN(C)CCCOCC(=O)O e65f1d54ee3a61b813d739823c5d0031 [0,1,0,0,0,0|2,0,1]=4 1174 B10R0.97 CN(C)CNC/C=C/C(=O)O 15942fc3f16143df700a93f816ec4bd3 [0,1,0,0,0,0|2,0,0]=3 1175 B10R0.97 CN(C)CNCC=CC(=O)O c68b7d4e82db09a414a8c6285465982f [0,1,0,0,0,0|2,0,0]=3 1176 B10R0.97 CN(C)COC/C=C/C(=O)O a6c516bd360aa235ec4fd7ec014becb2 [0,1,0,0,0,0|2,0,0]=3 1177 B10R0.97 CN(C)COCC=CC(=O)O 4dce1538c4d431d8c17aac666892713e [0,1,0,0,0,0|2,0,0]=3 1178 B10R0.97 CS(=O)CCCNCC(=O)O 090a24d96f0e27e511623262a3a90cb5 [0,1,0,0,0,0|2,0,1]=4 1179 B10R0.97 C[C@@H](F)COC/C=C/C(=O)O 860410dad056048b0b31498cc4f72fd9 [0,1,0,0,0,0|1,0,0]=2 1180 B10R0.97 C[C@@H](F)COCC=CC(=O)O d376d02445d6e5acb7378547780e8d18 [0,1,0,0,0,0|1,0,0]=2 1181 B10R0.97 C[C@@H](O)CCNCCC(=O)O 5a67dcdd3503103dc4fc520d76b18570 [0,1,0,0,0,0|1,0,2]=4 1182 B10R0.97 C[C@@H](O)CNC/C=C/C(=O)O 5486ff52a0faefb0ce3a87a4aaaf2624 [0,1,0,0,0,0|1,0,0]=2 1183 B10R0.97 C[C@@H](O)CNCC#CC(=O)O a119cb13877a13251c72536023b8bd0d [0,1,0,0,0,0|1,0,2]=4 1184 B10R0.97 C[C@@H](O)CNCC=CC(=O)O 3cf8834c46be6db0d56fc59045ee94d0 [0,1,0,0,0,0|1,0,0]=2 1185 B10R0.97 C[C@@H](O)CNCCCC(=O)O b76c49cbc84d63ae631f619c0916d501 [0,1,0,0,0,0|1,0,2]=4 1186 B10R0.97 C[C@H](F)COC/C=C/C(=O)O 14c8d7f69556138dfe128aebe4935294 [0,1,0,0,0,0|1,0,0]=2 1187 B10R0.97 C[C@H](F)COCC=CC(=O)O c5a4bd7982d258e941a0e93bb17ef89e [0,1,0,0,0,0|1,0,0]=2 1188 B10R0.97 C[C@H](O)CCNCCC(=O)O 926fa517551eec126edfee46a62debd5 [0,1,0,0,0,0|1,0,2]=4 1189 B10R0.97 C[C@H](O)CNC/C=C/C(=O)O 546e6dc14b75acba1f7ef4c4943ed4dc [0,1,0,0,0,0|1,0,0]=2 1190 B10R0.97 C[C@H](O)CNCC#CC(=O)O 166cf81e4496c87a6e5d56642fd786f5 [0,1,0,0,0,0|1,0,2]=4 1191 B10R0.97 C[C@H](O)CNCC=CC(=O)O d5d31ab2c4551a3b84f2b48e40dc459e [0,1,0,0,0,0|1,0,0]=2 1192 B10R0.97 C[C@H](O)CNCCCC(=O)O 6df3ccef4c5ef1407b3cb64e292e3e26 [0,1,0,0,0,0|1,0,2]=4 1193 B10R0.97 NC(=O)CNC/C=C/C(=O)O a1064d1d17704c9212b06270a2c124f9 [0,1,0,0,0,0|2,0,1]=4 1194 B10R0.97 NC(=O)CNCC=CC(=O)O e66faec9b8869dbe159b517ca957a9ff [0,1,0,0,0,0|2,0,1]=4 1195 B10R0.97 NC(=O)COC/C=C/C(=O)O cf8102346b3bdb49c52c885a66911a5d [0,1,0,0,0,0|2,0,1]=4 1196 B10R0.97 NC(=O)COCC=CC(=O)O 9574547012564a70c95b94cff7d40192 [0,1,0,0,0,0|2,0,1]=4 1197 B10R0.97 NC(=S)COC/C=C/C(=O)O bc3b0c878230e0292a030aaee906da0a [0,1,0,0,0,0|2,0,1]=4 1198 B10R0.97 NC(=S)COCC=CC(=O)O 9b16e9a9c73c3cea4dbba9c172dd4947 [0,1,0,0,0,0|2,0,1]=4 1199 B10R0.97 O=C(O)/C=C/CNCC(=O)O cb005170e7f0eb5105cca39b95ffc189 [0,1,0,0,0,0|2,0,1]=4 1200 B10R0.97 O=C(O)/C=C/CNCC(F)F 12e986a7e3f2501ea1729d95f4948ce3 [0,1,0,0,0,0|2,0,0]=3 1201 B10R0.97 O=C(O)/C=C/CNC[N+](=O)[O-] 195ef2f2a3567f4e18c02711ef384bb9 [0,1,0,0,0,0|3,0,0]=4 1202 B10R0.97 O=C(O)/C=C/COCC(=O)O c4fb78200e3acb15b7aaa79e98eaa66d [0,1,0,0,0,0|2,0,1]=4 1203 B10R0.97 O=C(O)/C=C/COCC(F)F 14258548e8be0b5539e61b6596137690 [0,1,0,0,0,0|2,0,0]=3 1204 B10R0.97 O=C(O)/C=C/COCS(=O)O 1913b9983b907256ff795150dd1cce3e [0,1,0,0,0,0|3,0,0]=4 1205 B10R0.97 O=C(O)/C=C/COC[N+](=O)[O-] 7b64e8922098633a877459a83d8b167a [0,1,0,0,0,0|3,0,0]=4 1206 B10R0.97 O=C(O)C=CCNCC(=O)O 3a217ffe9c5333db0f25ef8c6a8b2fcc [0,1,0,0,0,0|2,0,1]=4 1207 B10R0.97 O=C(O)C=CCNCC(F)F 3377496638c6412d82175f866121234e [0,1,0,0,0,0|2,0,0]=3 1208 B10R0.97 O=C(O)C=CCNC[N+](=O)[O-] 99187943fbb3e1272eae965c52b72782 [0,1,0,0,0,0|3,0,0]=4 1209 B10R0.97 O=C(O)C=CCOCC(=O)O 701e85d772d723b7d73f5abd67202892 [0,1,0,0,0,0|2,0,1]=4 1210 B10R0.97 O=C(O)C=CCOCC(F)F b25dd5c2abced36b9130def6d1593b99 [0,1,0,0,0,0|2,0,0]=3 1211 B10R0.97 O=C(O)C=CCOCS(=O)O 2076748ffc136e47e18df990e596a447 [0,1,0,0,0,0|3,0,0]=4 1212 B10R0.97 O=C(O)C=CCOC[N+](=O)[O-] 67053d8317fa708bef95e196e66f4f47 [0,1,0,0,0,0|3,0,0]=4 1213 B10R1.10 CCCN1CC=CC(C1)O d99d71498b6613f122ba6b35d769472f [0,0,0,1,0,0|2,0,1]=4 1214 B10R1.16 C#CCOC1C=CC(=O)O1 89f3ce9c07baddee96bfa26d4c769383 [0,0,0,1,0,0|1,0,2]=4 1215 B10R1.16 C=CCOC1C=CC(=O)O1 9abb0333bd171edcddbc17172bd4d357 [0,0,0,1,0,0|1,0,2]=4 1216 B10R1.16 CCCN[C@@H]1C=C[C@@H](C1)O dedb0517641856150a6edb2f3c98793d [0,0,0,1,0,0|2,0,1]=4 1217 B10R1.16 CCCN[C@H]1C=C[C@H](C1)O 6cf16b304e7739b214ec1f5e88048d3c [0,0,0,1,0,0|2,0,1]=4 1218 B10R1.16 CCCNc1ccc(o1)C c15cbb66fc0595155ee50bd4d65f2e30 [0,0,0,1,0,0|2,0,1]=4 1219 B10R1.16 CCCOC1C=CC(=O)C1 9b745ee7f58bac36e4fbed1aed03c051 [0,0,0,1,0,0|2,0,0]=3 1220 B10R1.16 CCCOC1C=CC(=O)O1 ec85feedde51258c7e7f449139265d27 [0,0,0,1,0,0|1,0,0]=2 1221 B10R1.16 CCCO[C@H]1C=CC(=O)C1 77852a61e5c28e53a3ee462fddd40885 [0,0,0,1,0,0|2,0,0]=3 1222 B10R1.16 CCNCc1ccc(o1)Br bc69cf8af8c6eedf459de13024a20023 [0,0,0,1,0,0|2,0,1]=4 1223 B10R1.16 CCNCc1ccc(o1)C 16b5b202870b0088f6ce61a25808ad7d [0,0,0,1,0,0|2,0,1]=4 1224 B10R1.16 CCOCC1C=CC(=O)O1 3d114fda6fc7a21d274206eff0482ba4 [0,0,0,1,0,0|1,0,0]=2 1225 B10R1.16 CCOCC1CCC(=O)O1 68878c40f0d88997c0eac48c9395a889 [0,0,0,1,0,0|1,0,2]=4 1226 B10R1.16 CCOC[C@@H]1C=CC(=O)O1 4a5383ca9bc98f8e8a857df0bb6a3aea [0,0,0,1,0,0|1,0,0]=2 1227 B10R1.16 CCOC[C@@H]1CCC(=O)O1 fa116338e507c856f655864f1fa338d4 [0,0,0,1,0,0|1,0,2]=4 1228 B10R1.16 CCOC[C@H]1CCC(=O)O1 5ea62a9b88a47b06d381abba60ed3ed7 [0,0,0,1,0,0|1,0,2]=4 1229 B10R1.16 CCOCc1ccc(o1)Br 9782731d1ae87bec8e3774d5ccde32bc [0,0,0,1,0,0|2,0,1]=4 1230 B10R1.16 CCOCc1ccc(o1)C 7cf8410aa18fcbf976c33b2a6864e0bc [0,0,0,1,0,0|2,0,1]=4 1231 B10R1.16 COCOC1C=CC(=O)C1 6faf8a17c9180833fc5e67b13ea4ca03 [0,0,0,1,0,0|3,0,0]=4 1232 B10R1.16 COCOC1C=CC(=O)O1 1f845ff16db20107f7dca6a5a924d553 [0,0,0,1,0,0|2,0,0]=3 1233 B10R1.16 COCO[C@H]1C=CC(=O)C1 b040698f2c63fecff6a3ac1dd4af3e28 [0,0,0,1,0,0|3,0,0]=4 1234 B10R1.16 CSCOC1C=CC(=O)C1 2a2e7297dc0c2c3ed9f9726ad91e9508 [0,0,0,1,0,0|3,0,0]=4 1235 B10R1.16 CSCOC1C=CC(=O)O1 8c3778b55b7edf41225873b14db1c287 [0,0,0,1,0,0|2,0,0]=3 1236 B10R1.16 CSCO[C@H]1C=CC(=O)C1 691e66bdf9dd4564c051e51d7ea7c90a [0,0,0,1,0,0|3,0,0]=4 1237 B10R1.16 N#CCOC1C=CC(=O)O1 80b23a66e4b8904ccd4072a143d1ba47 [0,0,0,1,0,0|2,0,1]=4 1238 B10R1.16 O=C1C=CC(C1)OCCF 3e6bc74c4cd75ae320e517dfcb02c745 [0,0,0,1,0,0|3,0,0]=4 1239 B10R1.16 O=C1C=CC(C1)OCCS 8e9f34826d7cd93ec4ee9979e6363ea3 [0,0,0,1,0,0|3,0,0]=4 1240 B10R1.16 O=C1C=CC(O1)COCF ae14c880c222293ca41439b8237ca664 [0,0,0,1,0,0|2,0,0]=3 1241 B10R1.16 O=C1C=CC(O1)OCCF a438e5c78a3bac86eb4ea80921b3df26 [0,0,0,1,0,0|2,0,0]=3 1242 B10R1.16 O=C1C=CC(O1)OCCS 66b2fa8ac301f6eec22fadf905903ae5 [0,0,0,1,0,0|2,0,0]=3 1243 B10R1.16 O=C1C=C[C@@H](C1)OCCF 941068c83a18f49c36f948dd4a2eb589 [0,0,0,1,0,0|3,0,0]=4 1244 B10R1.16 O=C1C=C[C@@H](C1)OCCS a493d39d32aedd8866d9ed27b8b1d8e3 [0,0,0,1,0,0|3,0,0]=4 1245 B10R1.16 O=C1C=C[C@H](O1)COCF 272a0ff2c0404aaed7f07cbab8919967 [0,0,0,1,0,0|2,0,0]=3 1246 B10R1.16 O=CCOC1C=CC(=O)O1 70ad90111339cee0b4b8e4ca8b783dae [0,0,0,1,0,0|2,0,1]=4 1247 B10R1.18 O=C(O)CN1CCCOC1 276c9e6db5c50efdf0013ee255981aea [0,0,0,1,0,0|2,0,1]=4 1248 B10R1.18 O=C(O)CN1CCCSC1 969c23a84a85279fbc953810ec4f4635 [0,0,0,1,0,0|2,0,1]=4 1249 B10R1.18 O=C(O)CN1CCOCC1 71b10415ca7d674c1df6add3bdabacae [0,0,0,1,0,0|2,0,1]=4 1250 B10R1.18 O=C(O)CN1CCSCC1 71c83e558b9a1fa155bf6e87dce077b1 [0,0,0,1,0,0|2,0,1]=4 1251 B10R1.24 CCCNCC1CC(=O)O1 e6188be948b9442c83f4afcd8259e636 [0,0,0,1,0,0|1,0,2]=4 1252 B10R1.24 CCCOCC1CC(=O)O1 98deb66a78aedaf4cee6d6522de3a253 [0,0,0,1,0,0|1,0,2]=4 1253 B10R1.39 CCC1CCCN1C(=O)C af5184853a2fc139326aceb69f54587c [0,0,0,1,0,0|2,0,1]=4 1254 B10R1.39 CCN1CC=CC1C(=O)O 89bda72f1795ce7a5213b1771e1a2eff [0,0,0,1,0,0|1,0,2]=4 1255 B10R1.39 CCN1CC=C[C@H]1C(=O)O 1bffb48288adbee6e99329e108e2b55e [0,0,0,1,0,0|1,0,2]=4 1256 B10R1.39 CCN1CCCC1C(=O)O c3983076958b8fb46558aab447120d49 [0,0,0,1,0,0|1,0,2]=4 1257 B10R1.39 CCN1CCC[C@@H]1C(=O)O 349d3c609c75982b622124f07b341c44 [0,0,0,1,0,0|1,0,2]=4 1258 B10R1.39 CCN1CCC[C@H]1C(=O)O cf8e675da710a8a6e34bef600c46b98f [0,0,0,1,0,0|1,0,2]=4 1259 B10R1.39 CCN1CCSC1C(=O)O 23a71743abd51412d8c2f2a54d122163 [0,0,0,1,0,0|2,0,1]=4 1260 B10R1.39 CC[C@@H]1CCCN1C(=O)C c75eb2201906f8faab97d30a9bca11c4 [0,0,0,1,0,0|2,0,1]=4 1261 B10R1.61 CC(=O)N1CCCCC1C 4f5cacb6e20ae65458b172f21fa4c03b [0,0,0,1,0,0|2,0,1]=4 1262 B10R1.61 CC(=O)N1CCCC[C@@H]1C 88289ec06bdb4324567eee30991d3abe [0,0,0,1,0,0|2,0,1]=4 1263 B10R1.61 CC(=O)N1CCCC[C@H]1C 3deac15cb8095a5a8513253ec4f9434f [0,0,0,1,0,0|2,0,1]=4 1264 B10R1.64 CC1CCCN1CC(=O)N 7c4eed599ade99e581d74786c61ffec8 [0,0,0,1,0,0|2,0,1]=4 1265 B10R1.64 CC1CCCN1CC(=O)O 71eb304a1d401775d27fc0753a674b0b [0,0,0,1,0,0|1,0,1]=3 1266 B10R1.64 CC1SCCN1CC(=O)O 6d80821f03b8a4633c94af3df2f09299 [0,0,0,1,0,0|2,0,1]=4 1267 B10R1.64 C[C@@H]1CCCN1CC(=O)N 7e2e467301747d64b336071a85a55428 [0,0,0,1,0,0|2,0,1]=4 1268 B10R1.64 C[C@@H]1CCCN1CC(=O)O 9b818000ca3132ec26b67b1ab81d55f9 [0,0,0,1,0,0|1,0,1]=3 1269 B10R1.64 C[C@H]1CCCN1CC(=O)N 0f4d0309fef2162a5c669336bc8fe418 [0,0,0,1,0,0|2,0,1]=4 1270 B10R1.64 C[C@H]1CCCN1CC(=O)O 64061d78ea2e51d3ac2a9c61feca08be [0,0,0,1,0,0|1,0,1]=3 1271 B10R1.64 O=C(O)CN1CCCC1O ec57a92bef094a920e205f26c4cd66bf [0,0,0,1,0,0|2,0,1]=4 1272 B10R1.66 CC(=O)CNC1CCCC1 982a895596cb411344b5d5d1059736c0 [0,0,0,1,0,0|2,0,1]=4 1273 B10R1.66 CC(=O)COC1CCCC1 b4a4ed405f24170df2e680b9b91276af [0,0,0,1,0,0|2,0,1]=4 1274 B10R1.66 CC(=O)NCC1CCCC1 4b033df2d5e9c8dc815e6cf1e844965d [0,0,0,1,0,0|2,0,1]=4 1275 B10R1.66 NC(=O)CNC1CCCC1 9c36273e943c132bbefd74db949ab45f [0,0,0,1,0,0|2,0,1]=4 1276 B10R1.66 NC(=O)COC1CCCC1 d7b7d33efe873067a8b31f32069e40fe [0,0,0,1,0,0|2,0,1]=4 1277 B10R1.66 O=C(O)CNC1CCCC1 fb567dda9f1fcebaac0043a4fd3325ce [0,0,0,1,0,0|1,0,1]=3 1278 B10R1.66 O=C(O)CNC1CCOC1 4ccadd048e05caef0aa0224309a71ab9 [0,0,0,1,0,0|2,0,1]=4 1279 B10R1.66 O=C(O)CNC1CCSC1 cc711451681d5deb60a93f003c75abe6 [0,0,0,1,0,0|2,0,1]=4 1280 B10R1.66 O=C(O)CN[C@@H]1CCOC1 409924f0dc5c5a1e485257d0c382bb7d [0,0,0,1,0,0|2,0,1]=4 1281 B10R1.66 O=C(O)CN[C@H]1CCOC1 bb7abf04bc34989947c2e061f8225296 [0,0,0,1,0,0|2,0,1]=4 1282 B10R1.66 O=C(O)COC1CCCC1 5d3de03f73830ac26dc91c46fa3d4104 [0,0,0,1,0,0|1,0,1]=3 1283 B10R1.66 O=C(O)COC1CCCO1 9af41fcd5b2bf45f089ffbb228468f59 [0,0,0,1,0,0|2,0,1]=4 1284 B10R1.66 O=C(O)COC1CCOC1 c00a0816f6af3a6b09957548ac53c261 [0,0,0,1,0,0|2,0,1]=4 1285 B10R1.66 O=C(O)COC1CCSC1 caf5157f4ef4575a7421435e1146be8d [0,0,0,1,0,0|2,0,1]=4 1286 B10R1.66 O=C(O)CO[C@@H]1CCOC1 40244ec714f8851edd84a85a39a537dc [0,0,0,1,0,0|2,0,1]=4 1287 B10R1.66 O=C(O)CO[C@@H]1CCSC1 3f3ccc7956dc20f5c5ac4f02583eda03 [0,0,0,1,0,0|2,0,1]=4 1288 B10R1.66 O=C(O)CO[C@H]1CCOC1 c198688958ecea1c8118006934dbb8ea [0,0,0,1,0,0|2,0,1]=4 1289 B10R1.66 O=C(O)CO[C@H]1CCSC1 d5d79b4e4ea2912843ea0f8d16269f5b [0,0,0,1,0,0|2,0,1]=4 1290 B10R1.66 O=S(O)COC1CCCC1 08b1908d1b79fff78a0acfd6877e8468 [0,0,0,1,0,0|2,0,1]=4 1291 B10R1.73 CC1CC1COCC(=O)N a51c0cf1f3552614ebd6d18360a6dab8 [0,0,0,1,0,0|2,0,1]=4 1292 B10R1.73 CC1CC1COCC(=O)O 48c21a72e06119c87256212f209582f7 [0,0,0,1,0,0|1,0,1]=3 1293 B10R1.73 CC1CC1NCCC(=O)O dafd5a694641c8e1f7b7903df829e138 [0,0,0,1,0,0|1,0,2]=4 1294 B10R1.73 C[C@@H]1C[C@H]1COCC(=O)N 8f7e2d574bf3b982efd9db52c7d9e857 [0,0,0,1,0,0|2,0,1]=4 1295 B10R1.73 C[C@@H]1C[C@H]1COCC(=O)O 9d211c6c60226597f723447cbc214271 [0,0,0,1,0,0|1,0,1]=3 1296 B10R1.73 C[C@H]1C[C@@H]1COCC(=O)N e4f551a7cfe66cab6e182199916f32f2 [0,0,0,1,0,0|2,0,1]=4 1297 B10R1.73 C[C@H]1C[C@@H]1COCC(=O)O a5336ce467034ad207eac9bf5dc6a620 [0,0,0,1,0,0|1,0,1]=3 1298 B10R1.73 C[C@H]1C[C@H]1COCC(=O)N c5944cfe0de9948c73b520ac0bc7c096 [0,0,0,1,0,0|2,0,1]=4 1299 B10R1.73 C[C@H]1C[C@H]1COCC(=O)O c45bab8411e01116d664faac83c6d766 [0,0,0,1,0,0|1,0,1]=3 1300 B10R1.73 O=C(O)COC[C@@H]1C[C@@H]1F 7e4c09a33f8613c33e3bb780dd16ac99 [0,0,0,1,0,0|2,0,1]=4 1301 B10R1.73 O=C(O)COC[C@@H]1C[C@H]1F 18f900f8cc4fa76172f41d6791923192 [0,0,0,1,0,0|2,0,1]=4 1302 B10R1.73 O=C(O)COC[C@H]1C[C@@H]1F a03662c885e4fb56fd2e9330b57d6e5c [0,0,0,1,0,0|2,0,1]=4 1303 B10R1.73 O=C(O)COC[C@H]1C[C@H]1F a578eda4363d7a91e8a903e4d9a45941 [0,0,0,1,0,0|2,0,1]=4 1304 B10R1.86 CCCN1CCC1C(=O)O 4b455e0294207b1a2bf667cca1518823 [0,0,0,1,0,0|1,0,2]=4 1305 B10R1.86 CCCN1CC[C@@H]1C(=O)O d13b2957294e68e46c0da3b6d0fff09d [0,0,0,1,0,0|1,0,2]=4 1306 B10R1.86 CCCN1CC[C@H]1C(=O)O db973ca0f7546753e639c1a516b768cc [0,0,0,1,0,0|1,0,2]=4 1307 B10R1.86 CCN[C@H]1CC[C@H]1C(=O)O 89c0dfdc99ab72737959c668e1a06333 [0,0,0,1,0,0|1,0,2]=4 1308 B10R1.86 CCOC1CCC1C(=O)O 24e9d7678dd5393f5b6092a46418ac5a [0,0,0,1,0,0|1,0,2]=4 1309 B10R1.86 CCO[C@H]1CC[C@@H]1C(=O)O 225858fcf1b537db229804c5703f595a [0,0,0,1,0,0|1,0,2]=4 1310 B10R1.117 CC1OCC1NCC(=O)O 0a9e06db81a31fbd331d9b464d752af8 [0,0,0,1,0,0|2,0,1]=4 1311 B10R1.117 CC1OCC1OCC(=O)O 95296052ae9aaf9bd7e91c97369913b5 [0,0,0,1,0,0|2,0,1]=4 1312 B10R1.117 C[C@@H]1CC[C@@H]1NCC(=O)N dfda55b0c58816777cf480c85f215f97 [0,0,0,1,0,0|2,0,1]=4 1313 B10R1.117 C[C@@H]1CC[C@@H]1NCC(=O)O 37b5abd01a4fe8a9b4b4d9b49be884b1 [0,0,0,1,0,0|1,0,1]=3 1314 B10R1.117 C[C@@H]1CC[C@H]1NCC(=O)N a93980f8790e5e6e0e7a7da4e634e897 [0,0,0,1,0,0|2,0,1]=4 1315 B10R1.117 C[C@@H]1CC[C@H]1NCC(=O)O c187d5877fa6362810a96d12cc185c98 [0,0,0,1,0,0|1,0,1]=3 1316 B10R1.117 O=C(O)CNC1CCC1F e2f149cc08a33576821bebe94cf9b048 [0,0,0,1,0,0|2,0,1]=4 1317 B10R1.117 O=C(O)CNC1CCC1O 20b6fb5b647452fbb90cd62d71003220 [0,0,0,1,0,0|2,0,1]=4 1318 B10R1.117 O=C(O)CN[C@@H]1CC[C@@H]1O b8115a2ef8cacd8835aa382136b8ee2b [0,0,0,1,0,0|2,0,1]=4 1319 B10R1.117 O=C(O)CN[C@@H]1CC[C@H]1O 5fd8485fd741a81390845f0682fad8a9 [0,0,0,1,0,0|2,0,1]=4 1320 B10R1.117 O=C(O)CN[C@H]1CC[C@@H]1O 506dfdbbed8e63bb0a98cda77b4d5cf1 [0,0,0,1,0,0|2,0,1]=4 1321 B10R1.117 O=C(O)CN[C@H]1CC[C@H]1O bf67585518bece29e195449f75f82798 [0,0,0,1,0,0|2,0,1]=4 1322 B10R1.126 CC(=O)CNCCC1CC1 344f642538f9883f20377bf6d62fbc05 [0,0,0,1,0,0|2,0,1]=4 1323 B10R1.126 CC(=O)COCCC1CC1 5db2b90ba11a0fb9fcfb36b968b93eba [0,0,0,1,0,0|2,0,1]=4 1324 B10R1.126 NC(=O)CNCCC1CC1 4a08391f2032735529f47a41f54011c9 [0,0,0,1,0,0|2,0,1]=4 1325 B10R1.126 NC(=O)COCCC1CC1 6442ecc3fae6ef4b7275078a3e5c99aa [0,0,0,1,0,0|2,0,1]=4 1326 B10R1.126 O=C(O)/C=C/CNC1CC1 90acf7440c94ed618132190fca77c2c4 [0,0,0,1,0,0|1,0,0]=2 1327 B10R1.126 O=C(O)/C=C/COC1CC1 153906564429509cfb4e14d7e03a746b [0,0,0,1,0,0|1,0,0]=2 1328 B10R1.126 O=C(O)C#CCNC1CC1 471ec9b7f42a891794eeb73cd487b943 [0,0,0,1,0,0|1,0,2]=4 1329 B10R1.126 O=C(O)C#CCOC1CC1 4f4047ed741582ed737e6fb75c162854 [0,0,0,1,0,0|1,0,2]=4 1330 B10R1.126 O=C(O)C=CCNC1CC1 582652095f8dfccc346fb540d3d5382c [0,0,0,1,0,0|1,0,0]=2 1331 B10R1.126 O=C(O)C=CCOC1CC1 3176eb7cf374fdc36591f97b54227c2a [0,0,0,1,0,0|1,0,0]=2 1332 B10R1.126 O=C(O)CCCNC1CC1 dd468d360b917f47f682ee50a287e9d8 [0,0,0,1,0,0|1,0,2]=4 1333 B10R1.126 O=C(O)CCCOC1CC1 b7be63e0bba517180e4df0722213e005 [0,0,0,1,0,0|1,0,2]=4 1334 B10R1.126 O=C(O)CCNCC1CC1 09210a961eb6bc883a8b63442218357b [0,0,0,1,0,0|1,0,2]=4 1335 B10R1.126 O=C(O)CCOCC1CC1 eafe891a8012d500ee7e15eeb8328f36 [0,0,0,1,0,0|1,0,2]=4 1336 B10R1.126 O=C(O)CNCCC1CC1 61119269f81a6f03295c0747c64c1b37 [0,0,0,1,0,0|1,0,1]=3 1337 B10R1.126 O=C(O)CNCCN1CC1 62187a28c5608b91177f314f3be06453 [0,0,0,1,0,0|2,0,1]=4 1338 B10R1.126 O=C(O)COCCC1CC1 fb38b8ef197ca0863d4f81dc1489f3f0 [0,0,0,1,0,0|1,0,1]=3 1339 B10R1.126 O=C(O)COCCN1CC1 efda77991229b512e05a9e392dbabd7c [0,0,0,1,0,0|2,0,1]=4 1340 B10R1.126 O=S(O)COCCC1CC1 e10cd751c66ceaeed40184298d33e5db [0,0,0,1,0,0|2,0,1]=4 1341 B10R1.127 CC(=O)CNCC1CCC1 db7a20e92411b8eec31700ba102d9d58 [0,0,0,1,0,0|2,0,1]=4 1342 B10R1.127 CC(=O)COCC1CCC1 8fd68570ac5a590b26f61b50e831d8eb [0,0,0,1,0,0|2,0,1]=4 1343 B10R1.127 CC(=O)NCCC1CCC1 3190e402a675f8afeaa5825a170e0c31 [0,0,0,1,0,0|2,0,1]=4 1344 B10R1.127 NC(=O)CNCC1CCC1 9380aed3728fe3d254c584a53cfa3d40 [0,0,0,1,0,0|2,0,1]=4 1345 B10R1.127 NC(=O)COCC1CCC1 f72897710ae03109d3506fccb1ca535c [0,0,0,1,0,0|2,0,1]=4 1346 B10R1.127 O=C(O)/C=C/CN1CCC1 97ae46aa601c3f500ce36e62c778b8fd [0,0,0,1,0,0|1,0,0]=2 1347 B10R1.127 O=C(O)C=CCN1CCC1 cbee3e461fef8097a8e2f1e363bfab3a [0,0,0,1,0,0|1,0,0]=2 1348 B10R1.127 O=C(O)CCNC1CCC1 160170e3580b9165aea6acb99da89a8a [0,0,0,1,0,0|1,0,2]=4 1349 B10R1.127 O=C(O)CCOC1CCC1 2ac2445ef790d6f82b52145b8a697859 [0,0,0,1,0,0|1,0,2]=4 1350 B10R1.127 O=C(O)CNCC1CCC1 8df0d476c349f97069051ff8cbb4bd78 [0,0,0,1,0,0|1,0,1]=3 1351 B10R1.127 O=C(O)CNCC1CCO1 ad0efd582fc3203b814dee0af06665fb [0,0,0,1,0,0|2,0,1]=4 1352 B10R1.127 O=C(O)CNCC1COC1 71f7e19eb6ab169b826a4609eb458b18 [0,0,0,1,0,0|2,0,1]=4 1353 B10R1.127 O=C(O)CNC[C@@H]1CCO1 bc300dd63ecec6f4acba13764847f9a9 [0,0,0,1,0,0|2,0,1]=4 1354 B10R1.127 O=C(O)CNC[C@H]1CCO1 72e93d2e4ab4d72b5812156d3358ac04 [0,0,0,1,0,0|2,0,1]=4 1355 B10R1.127 O=C(O)COCC1CCC1 b4343aeb53fdf7b10eb7fc6469f57b31 [0,0,0,1,0,0|1,0,1]=3 1356 B10R1.127 O=C(O)COCC1CCO1 477e82e14e4e6c63dc5465a2a5dccb6e [0,0,0,1,0,0|2,0,1]=4 1357 B10R1.127 O=C(O)COCC1COC1 68b189e73df81fcf00c066add52114dd [0,0,0,1,0,0|2,0,1]=4 1358 B10R1.127 O=C(O)COCC1CSC1 1fea7afff9ea9d842bc2d64e80a5fdf8 [0,0,0,1,0,0|2,0,1]=4 1359 B10R1.127 O=C(O)COC[C@@H]1CCO1 dfb1f99b6b05b1261728a068b921198a [0,0,0,1,0,0|2,0,1]=4 1360 B10R1.127 O=C(O)COC[C@H]1CCO1 d3a15cc792bfa2d1801e2814900dd2ed [0,0,0,1,0,0|2,0,1]=4 1361 B10R1.127 O=S(O)COCC1CCC1 0e5e565a2a456e011886b0d82ff48ebe [0,0,0,1,0,0|2,0,1]=4 1362 B10R1.144 CCCN[C@@H]1C[C@@H]1C(=O)O 8b6065ccda35b6e121bb4d84d7ca2d15 [0,0,0,1,0,0|1,0,2]=4 1363 B10R1.144 CCCN[C@H]1C[C@@H]1C(=O)O bb67236d635930b21a9033bd54b3e699 [0,0,0,1,0,0|1,0,2]=4 1364 B10R1.144 CCCN[C@H]1C[C@H]1C(=O)O 45cf0adca91604d7378db84601dc99ca [0,0,0,1,0,0|1,0,2]=4 1365 B10R1.144 CCCO[C@@H]1C[C@@H]1C(=O)O ef58b5a901157975cfbdf2de9eac2112 [0,0,0,1,0,0|1,0,2]=4 1366 B10R1.144 CCCO[C@H]1C[C@@H]1C(=O)O d8df1b33d4d58c6045aafeb6d556b5f8 [0,0,0,1,0,0|1,0,2]=4 1367 B10R1.144 CCCO[C@H]1C[C@H]1C(=O)O 2172e9900e42913e81a79e12722cb587 [0,0,0,1,0,0|1,0,2]=4 1368 B10R1.144 CCNC[C@@H]1C[C@H]1C(=O)O 1645dfed96f1a35e7d2a7e317b4a85c8 [0,0,0,1,0,0|1,0,2]=4 1369 B10R1.144 CCOCC1CC1C(=O)O f47208bff69eca6292bec5ee4aeb1480 [0,0,0,1,0,0|1,0,2]=4 1370 B10R1.144 CCOC[C@@H]1C[C@H]1C(=O)O 29824500bda68368f83156b674cdb103 [0,0,0,1,0,0|1,0,2]=4 1371 B10R1.144 CCOC[C@H]1C[C@@H]1C(=O)O 236a8aa51e1ac2e3d16cdd4c7a14d1de [0,0,0,1,0,0|1,0,2]=4 1372 B10R1.144 CCOC[C@H]1C[C@H]1C(=O)O 883fcab2883008e1f5b20391ca8afa39 [0,0,0,1,0,0|1,0,2]=4 1373 B10R1.156 CO[C@H]1C[C@H]1NCC(=O)O e3d1d6a0e98f5a977626488a4b628dc4 [0,0,0,1,0,0|2,0,1]=4 1374 B10R1.156 O=C(O)CN[C@@H]1C[C@H]1CO f251d9006116e74a72ee0df8966552c6 [0,0,0,1,0,0|2,0,1]=4 1375 B10R1.156 O=C(O)CN[C@H]1C[C@@H]1CO 0df478b5219c8b6824692a7c653c82f3 [0,0,0,1,0,0|2,0,1]=4 1376 B10R1.156 O=C(O)CN[C@H]1C[C@H]1CO c48f082185e9402a5c620d386e5264ee [0,0,0,1,0,0|2,0,1]=4 1377 B10R1.173 CCC1CCN1CC(=O)N ff9b881f847dbcc4bdf0d8ab4e9ed6e4 [0,0,0,1,0,0|2,0,1]=4 1378 B10R1.173 CCC1CCN1CC(=O)O 5837e591b7e88e7d687f320a675ea6ac [0,0,0,1,0,0|1,0,1]=3 1379 B10R1.173 CCN1CCC1CC(=O)O b55343875421912ce9629f1d4c69a858 [0,0,0,1,0,0|1,0,2]=4 1380 B10R1.173 O=C(O)CN1CCC1CO 53e5c3dfbbb7f9b51b3e3b77430911c9 [0,0,0,1,0,0|2,0,1]=4 1381 B10R1.173 O=C(O)CN1CC[C@@H]1CO 79ebf1cae39369a1ac772125d96f78ae [0,0,0,1,0,0|2,0,1]=4 1382 B10R1.173 O=C(O)CN1CC[C@H]1CO 672f7679f7ebd53c3e51bd9e451db016 [0,0,0,1,0,0|2,0,1]=4 1383 B10R1.348 CC(=O)N1CCCCCC1 bd008ed1d89241423499eab40b9ddd3a [0,0,0,1,0,0|2,0,1]=4 1384 B7R0.1 C/C=C/CCOCC 769d81e9b6b56a0d91c30248e5909b9a [2,0,0,0,0,0|1,0,1]=4 1385 B7R0.1 C/C=C/CNCCC 83b506fda5a949df97a8ce6c6994cd79 [2,0,0,0,0,0|1,0,1]=4 1386 B7R0.1 C/C=C/COCCC 822df1d3ee20841fb6f7a407dc8ef626 [2,0,0,0,0,0|1,0,1]=4 1387 B7R0.1 C/C=C\CNCCC 2a90c8871f0d7d1a548bb78ac367f3f1 [2,0,0,0,0,0|1,0,1]=4 1388 B7R0.1 C/C=C\COCCC 38b7687ce05adf4c23571dca2fffb3f7 [2,0,0,0,0,0|1,0,1]=4 1389 B7R0.1 C=C=CCCOCC 2fb6478edb447db1fe191c89327c683f [2,0,0,0,0,0|1,0,1]=4 1390 B7R0.1 C=CCCCNCC d6a027a0701e414181b831a715c54cb6 [2,0,0,0,0,0|1,0,1]=4 1391 B7R0.1 C=CCCCOCC 44cf1a7a597e160be341d31404acdfaa [2,0,0,0,0,0|1,0,1]=4 1392 B7R0.1 C=CCCNCCC c633813bb9d3717e891210de7cc1e8d5 [2,0,0,0,0,0|1,0,1]=4 1393 B7R0.1 C=CCCOCCC b938a9e5fd3f24fa3adf9ccf635a9e5b [2,0,0,0,0,0|1,0,1]=4 1394 B7R0.1 C=CCNCCCC 3d8f05f7ed31cff346091b529993046e [2,0,0,0,0,0|1,0,1]=4 1395 B7R0.1 C=CCOCCCC 01358a2b7449cb631c1f1da5323f5dd1 [2,0,0,0,0,0|1,0,1]=4 1396 B7R0.1 C=COCCNCC e376510fa630867a53db8435ac1e7531 [2,0,0,0,0,0|2,0,0]=4 1397 B7R0.1 C=COCCOCC d9229c17186e0b503ee0d758327ee4d9 [2,0,0,0,0,0|2,0,0]=4 1398 B7R0.1 CC=CCNCCC d4fc04fa66d17ace996fba409177ba31 [2,0,0,0,0,0|1,0,1]=4 1399 B7R0.1 CC=CCOCCC 295cbe6ac3a62354900ac5e447c73dc1 [2,0,0,0,0,0|1,0,1]=4 1400 B7R0.1 CCCCCNC=O a8a22095c4bcd5b43c5b29c77fc7eedb [2,0,0,0,0,0|1,0,0]=3 1401 B7R0.1 CCCCCNCO ec5ba66caaffe66e13002eeb0f8fbef0 [2,0,0,0,0,0|1,0,1]=4 1402 B7R0.1 CCCCNCC=O 2e37d7006381e9687c17149af03971de [2,0,0,0,0,0|1,0,1]=4 1403 B7R0.1 CCCCOCC=O 059f1387d1800516c5888740482db589 [2,0,0,0,0,0|1,0,1]=4 1404 B7R0.1 CCCNC/C=C/Cl 068dc98fe609c9c151e063bc566fe8b0 [2,0,0,0,0,0|2,0,0]=4 1405 B7R0.1 CCCNC/C=C\Cl 1de2b8db3d2cb8ee291f72277aea6119 [2,0,0,0,0,0|2,0,0]=4 1406 B7R0.1 CCCNC/C=C\O 37fdbeb5b418269df5882cb49905fc66 [2,0,0,0,0,0|1,0,0]=3 1407 B7R0.1 CCCNCCC=O 6175371dd27625c7d44a4a376a810e9d [2,0,0,0,0,0|1,0,1]=4 1408 B7R0.1 CCCOC/C=C/Cl ac6f5b75f59032db0e82f6993bf6a55c [2,0,0,0,0,0|2,0,0]=4 1409 B7R0.1 CCCOC/C=C\Cl a8c372c85087aeb02f1742f790100e7d [2,0,0,0,0,0|2,0,0]=4 1410 B7R0.1 CCCOCC=CCl 112f7fa1593ff5cb62f7ea8ebc707a53 [2,0,0,0,0,0|2,0,0]=4 1411 B7R0.1 CCCOCCC=O 066ce9d71bb9cb79ed95a965d8418289 [2,0,0,0,0,0|1,0,1]=4 1412 B7R0.1 CCOC/C=C/C=O 3d6951e444130c3127ae3a39ab2f79f2 [2,0,0,0,0,0|1,0,0]=3 1413 B7R0.1 CCOCCCC=O 8252684f63a0fadbbbc733c07d72d862 [2,0,0,0,0,0|1,0,1]=4 1414 B7R0.1 CCOCCNC=O 5ff8b0f631a008d336c5b5d059941e52 [2,0,0,0,0,0|2,0,0]=4 1415 B7R0.1 CCOCCOC=O 13c874dc60dfb3d1f6f6a29b0d060101 [2,0,0,0,0,0|2,0,0]=4 1416 B7R0.1 CCSCCNC=O 385ec0536f2dafb781a8f3aea079d78c [2,0,0,0,0,0|2,0,0]=4 1417 B7R0.1 COCCCNC=O 8b809f06a028927c1bb77d4ce795b6c6 [2,0,0,0,0,0|2,0,0]=4 1418 B7R0.1 CSCCCNC=O 7314f13ceee46dd5e864578ae6458630 [2,0,0,0,0,0|2,0,0]=4 1419 B7R0.1 O/C=C\CNCCBr 78bf6909c3dee8af6d6cdaed4572acf8 [2,0,0,0,0,0|2,0,0]=4 1420 B7R0.1 O/C=C\CNCCF 4dd7dedef3f23a2dff56fd2bf610c971 [2,0,0,0,0,0|2,0,0]=4 1421 B7R0.1 O/C=C\CNCCI 45e0f365c7fdd440595555325ab875e7 [2,0,0,0,0,0|2,0,0]=4 1422 B7R0.1 O/C=C\CNCCO 0f4453c48d586f05dd8b7bb8855f7abb [2,0,0,0,0,0|2,0,0]=4 1423 B7R0.1 O/C=C\CNCCS 85de73db1b0a9675523938141a7b3b56 [2,0,0,0,0,0|2,0,0]=4 1424 B7R0.1 O=C/C=C/COCF 0572373d316df776b943df80b0e38288 [2,0,0,0,0,0|2,0,0]=4 1425 B7R0.1 O=CNCCCCCl f92f31577db7c76752d74048c9613e26 [2,0,0,0,0,0|2,0,0]=4 1426 B7R0.1 O=CNCCCCO 2b728fba12236cded175996b460e95da [2,0,0,0,0,0|2,0,0]=4 1427 B7R0.1 O=CNCCCCS 8f7648f8a23508fcd6d57892fa9ccef7 [2,0,0,0,0,0|2,0,0]=4 1428 B7R0.4 CCCCNC(=O)C 0949c76abd7904d01e0aead7cd919e16 [2,0,0,0,0,0|2,0,0]=4 1429 B7R0.4 CCCNCC(=O)C 99413200ab301de7320a2958deb213a6 [2,0,0,0,0,0|2,0,0]=4 1430 B7R0.4 CCCNCC(=O)N c6bdb30f5ce304ac84a3a29975920160 [2,0,0,0,0,0|2,0,0]=4 1431 B7R0.4 CCCNCC(=O)O 1172f6559bfe8e46309ea809f909cc38 [2,0,0,0,0,0|1,0,0]=3 1432 B7R0.4 CCCOCC(=O)C 96075066d7d27bc87eaacf968c44bcad [2,0,0,0,0,0|2,0,0]=4 1433 B7R0.4 CCCOCC(=O)N 96a8c77dd39980465075569d7697e39d [2,0,0,0,0,0|2,0,0]=4 1434 B7R0.4 CCCOCC(=O)O 23aff310a77cf1d0723d729060ccc5ab [2,0,0,0,0,0|1,0,0]=3 1435 B7R0.4 CCCOCS(=O)O 0f12db2563a680e281a3900efd4625e1 [2,0,0,0,0,0|2,0,0]=4 1436 B7R0.4 CCNCCC(=O)N 41bbba81e733b9d1286775aca2565c1c [2,0,0,0,0,0|2,0,0]=4 1437 B7R0.4 CCNCCC(=O)O 88c0515bc1747e6ea081f59eb14f48f3 [2,0,0,0,0,0|1,0,0]=3 1438 B7R0.4 CCNCCS(=O)O 128b1e77080fe0113eae546bdfad2510 [2,0,0,0,0,0|2,0,0]=4 1439 B7R0.4 CCOCCC(=O)C cbf951a39aabdc9cae79b2b81520e5d8 [2,0,0,0,0,0|2,0,0]=4 1440 B7R0.4 CCOCCC(=O)N 6008011299c8bcf06da6d1d485db82cf [2,0,0,0,0,0|2,0,0]=4 1441 B7R0.4 CCOCCC(=O)O b43dd4fe6d8527741fde301ee2762516 [2,0,0,0,0,0|1,0,0]=3 1442 B7R0.4 COCNCC(=O)O 63e693e6a6943d7d076b731aa43d021d [2,0,0,0,0,0|2,0,0]=4 1443 B7R0.4 COCOCC(=O)O a468e60279d972337d82cd5f7b4a85c0 [2,0,0,0,0,0|2,0,0]=4 1444 B7R0.4 CSCNCC(=O)O 5c5440b473179a79f0a0bde7f261b934 [2,0,0,0,0,0|2,0,0]=4 1445 B7R0.4 CSCOCC(=O)O bc53fc5d2082b4879e00ca1b9daacd0d [2,0,0,0,0,0|2,0,0]=4 1446 B7R0.4 O=C(O)CCNCF 05f9560a9c5090f2158d127e76253bb5 [2,0,0,0,0,0|2,0,0]=4 1447 B7R0.4 O=C(O)CCNCO 4eda81a5ddb9ef19630be70331f35e71 [2,0,0,0,0,0|2,0,0]=4 1448 B7R0.4 O=C(O)CCOCF 47a2f1a64d70f1fd70ee05dd145bf666 [2,0,0,0,0,0|2,0,0]=4 1449 B7R0.4 O=C(O)CNCCBr 8130f29cad0df7ca3ee5b483ea3f0ae7 [2,0,0,0,0,0|2,0,0]=4 1450 B7R0.4 O=C(O)CNCCF 6ae595578428cb8e8437866b629b8546 [2,0,0,0,0,0|2,0,0]=4 1451 B7R0.4 O=C(O)CNCCI b126f2904311dc397f067e9011020ab9 [2,0,0,0,0,0|2,0,0]=4 1452 B7R0.4 O=C(O)CNCCO 8a2a254c2a92a8e0b0d875df2fbb7a98 [2,0,0,0,0,0|2,0,0]=4 1453 B7R0.4 O=C(O)CNCCS a3afb9ba49fa1ab4342d38d48d1d7ee5 [2,0,0,0,0,0|2,0,0]=4 1454 B7R0.4 O=C(O)COCCF 0bf6b93a21a854bfb19752b49752a6aa [2,0,0,0,0,0|2,0,0]=4 1455 B7R0.4 O=C(O)COCCS d255bc31bb2be8a37fe42b47fabd36dd [2,0,0,0,0,0|2,0,0]=4 1456 B9R0.5 C/C=C/C(=O)NCCCC 44c051192513db47c1c826c71178c208 [1,1,0,0,0,0|2,0,0]=4 1457 B9R0.5 CCCC(C)COCC=O b4ade1b0aa3eb14511461dd6fdcc445d [1,1,0,0,0,0|1,0,1]=4 1458 B9R0.5 CCCC(C)NC/C=C\O c93946b0de8d17c8ad6f99cefa864482 [1,1,0,0,0,0|1,0,1]=4 1459 B9R0.5 CCCC(O)CNCC=O 0ab60eacd08ef644a7eb6587b3e377fb [1,1,0,0,0,0|1,0,1]=4 1460 B9R0.5 CCCCCC(C)NC=O 8ebcf0f9aaad2891aad2d805d5730b90 [1,1,0,0,0,0|1,0,1]=4 1461 B9R0.5 CCCCCN(C)CC=O 78bb5a09a7732691e4b2ef4ef4683cdd [1,1,0,0,0,0|1,0,1]=4 1462 B9R0.5 CCCCC[C@H](C)NC=O e9ec5cd528aff38be097392db8efa5ac [1,1,0,0,0,0|1,0,1]=4 1463 B9R0.5 CCCCNC(=O)/C=C/Br 0dbf6af00ee33ccc94775c9b10e14f2d [1,1,0,0,0,0|2,0,0]=4 1464 B9R0.5 CCCCNC(=O)/C=C/Cl fb70afe77876110b5a0d3d6f58130074 [1,1,0,0,0,0|2,0,0]=4 1465 B9R0.5 CCCCNC(=O)/C=C/I 08fac6c7b0e84b5c53498e160a252913 [1,1,0,0,0,0|2,0,0]=4 1466 B9R0.5 CCCCNC(=O)/C=C\Br 110d3567aadc8708039726a6bf79929a [1,1,0,0,0,0|2,0,0]=4 1467 B9R0.5 CCCCNC(=O)/C=C\Cl 64b3a61ed02d229a647bad55a8000a4d [1,1,0,0,0,0|2,0,0]=4 1468 B9R0.5 CCCCNC(=O)/C=C\I dae7cd6cc453b79a863443f276a900b7 [1,1,0,0,0,0|2,0,0]=4 1469 B9R0.5 CCCCNC(=O)C=CBr 8793bc76d4d65e4bf0ad7dc4bd382289 [1,1,0,0,0,0|2,0,0]=4 1470 B9R0.5 CCCCNC(=O)C=CI bfc7d529d3d35a1a9f3c76e20f482d83 [1,1,0,0,0,0|2,0,0]=4 1471 B9R0.5 CCCCNC(=O)CC=O 836473a80945117a02207b121e995b64 [1,1,0,0,0,0|1,0,1]=4 1472 B9R0.5 CCC[C@H](C)NC/C=C\O 8d52c9d789e30bf7c68d63162492dc07 [1,1,0,0,0,0|1,0,1]=4 1473 B9R0.18 CCCCC(C)NCC=O 17b13b22e791a7a0520f1bfd34f0e857 [1,1,0,0,0,0|1,0,1]=4 1474 B9R0.18 CCCCC(C)OCC=O eda04f1a17d81cf08f2f32366dad6c90 [1,1,0,0,0,0|1,0,1]=4 1475 B9R0.18 CCCCC(O)CNC=O eec15ce6abd05c06c56bfdaadbde9a0b [1,1,0,0,0,0|1,0,1]=4 1476 B9R0.18 CCCCN(C)C/C=C\O b670acc8005386db650855df49e5a609 [1,1,0,0,0,0|1,0,1]=4 1477 B9R0.18 CCCC[C@@H](C)NCC=O 04b56f2fdbafe2353e082e13229eedf1 [1,1,0,0,0,0|1,0,1]=4 1478 B9R0.18 CCCC[C@@H](C)OCC=O 993915524a0a10ada5c5e7e66a19b57f [1,1,0,0,0,0|1,0,1]=4 1479 B9R0.18 CCCC[C@H](C)OCC=O 64aea713a6e78b2a7c1dcccee369110a [1,1,0,0,0,0|1,0,1]=4 1480 B9R0.45 C#CCCOC/C=C/C=O c5fc78ffb2ce40d057a82ba975b7001c [1,1,0,0,0,0|0,0,2]=4 1481 B9R0.45 C/C=C/C=C/COCCC 8f1e48b4facc41411447438079f84a28 [1,1,0,0,0,0|1,0,1]=4 1482 B9R0.45 C/C=C/CCCOCCC 6078f7ffc27dfa8185f6236738ef681e [1,1,0,0,0,0|1,0,1]=4 1483 B9R0.45 C/C=C/CCOCCCC 34807d765a53dafaafda84290da499b4 [1,1,0,0,0,0|1,0,1]=4 1484 B9R0.45 C/C=C/CNCCCCC 173af57cfda70fbf416f0d5599bfa036 [1,1,0,0,0,0|1,0,1]=4 1485 B9R0.45 C/C=C/COC/C=C/C=O 1b6fad9874f1ccb6d4ce7c7d938eb553 [1,1,0,0,0,0|0,0,2]=4 1486 B9R0.45 C/C=C/COCCCCC 802c5cbc78037013e3e1230ad72e88ef [1,1,0,0,0,0|1,0,1]=4 1487 B9R0.45 C/C=C\CCCNCCC bd38004b14a3ffe818d001cefe29aee7 [1,1,0,0,0,0|1,0,1]=4 1488 B9R0.45 C/C=C\CCCOCCC 083c73f409535e210af3eb7849dd56ad [1,1,0,0,0,0|1,0,1]=4 1489 B9R0.45 C/C=C\CNCCCCC 2ee64f407eb13d42c64dbdca505fc819 [1,1,0,0,0,0|1,0,1]=4 1490 B9R0.45 C/C=C\COC/C=C/C=O 60dc58601c8a548c8a42898f4e0265fc [1,1,0,0,0,0|0,0,2]=4 1491 B9R0.45 C/C=C\COCCCCC 49d9ba2c76d4226b734a25af963b3a40 [1,1,0,0,0,0|1,0,1]=4 1492 B9R0.45 C=C/C=C/CCNCCC 83f5e14c911827042616181b3195dbb3 [1,1,0,0,0,0|1,0,0]=3 1493 B9R0.45 C=C/C=C/CCNCCF fbe34c8ccabf97bea4069b2316ac08a6 [1,1,0,0,0,0|2,0,0]=4 1494 B9R0.45 C=C/C=C/CCNCCO 2a247488c4634710e439f3040d5dea89 [1,1,0,0,0,0|2,0,0]=4 1495 B9R0.45 C=C/C=C/CCNCCS f42ddce89d9e9eef1949131198eaba79 [1,1,0,0,0,0|2,0,0]=4 1496 B9R0.45 C=C/C=C/CCNCOC 4ad5ef978d058dd489935fa5cd5121e5 [1,1,0,0,0,0|2,0,0]=4 1497 B9R0.45 C=C/C=C/CCNCSC 939ac09d62c7117531edb70a8ebf50f2 [1,1,0,0,0,0|2,0,0]=4 1498 B9R0.45 C=CCCOC/C=C/C=O 3d07462d2dd0fa331d0c71f0dc4a0f82 [1,1,0,0,0,0|0,0,2]=4 1499 B9R0.45 CC/C=C/CCOCCC 0a76c2aa4cb5309f57046e961567e1f0 [1,1,0,0,0,0|1,0,1]=4 1500 B9R0.45 CC/C=C/CNCCCC 205e3a3cf2dfbd78bc9d1c77318f250d [1,1,0,0,0,0|1,0,1]=4 1501 B9R0.45 CC/C=C/COCCCC 9dcd55c6f51e3b003595f546e655282b [1,1,0,0,0,0|1,0,1]=4 1502 B9R0.45 CC/C=C\CCCOCC f3a75a504e13faa2cf8e35adf4ed3e3b [1,1,0,0,0,0|1,0,1]=4 1503 B9R0.45 CC/C=C\CCNCCC 3bbbe00683e3d998587775bf41dd95d1 [1,1,0,0,0,0|1,0,1]=4 1504 B9R0.45 CC/C=C\CCOCCC 5fdb5a65a47740420a9d274005a3115f [1,1,0,0,0,0|1,0,1]=4 1505 B9R0.45 CC/C=C\COCCCC 02179af6b133216a2e2f2900dac6b807 [1,1,0,0,0,0|1,0,1]=4 1506 B9R0.45 CC=C=CCCOCCC c98648b64a6bd61fce8033f3515764f0 [1,1,0,0,0,0|1,0,1]=4 1507 B9R0.45 CC=CC=CCOCCC 56450f7f936a8924869fea1d2e9622e7 [1,1,0,0,0,0|1,0,1]=4 1508 B9R0.45 CC=CCCCOCCC 544004ad9efa2af2fea80f1c7a474136 [1,1,0,0,0,0|1,0,1]=4 1509 B9R0.45 CC=CCNCCCCC 4ef4adafa1d8c573d6eb296bc442117e [1,1,0,0,0,0|1,0,1]=4 1510 B9R0.45 CC=CCOCCCCC 805449d8867d5a337059530a7812a078 [1,1,0,0,0,0|1,0,1]=4 1511 B9R0.45 CCCCCCCNC=O 9b073fb330d599f3dde0b2db41b840f2 [1,1,0,0,0,0|0,0,2]=4 1512 B9R0.45 CCCCCCNCC=O 7bf21a30ec03a5d95442fb7cb6f190b9 [1,1,0,0,0,0|0,0,2]=4 1513 B9R0.45 CCCCCCOCC=O bd855bb441849ecb00a1d491cea228b2 [1,1,0,0,0,0|0,0,2]=4 1514 B9R0.45 CCCCCNC/C=C/Cl dd2b4d6593db8690c89984276577f51f [1,1,0,0,0,0|1,0,1]=4 1515 B9R0.45 CCCCCNC/C=C\Cl fb74b9636967ca4beacb07a8f7ddd469 [1,1,0,0,0,0|1,0,1]=4 1516 B9R0.45 CCCCCNC/C=C\O a03bd9f596fd925d470752532a1e67bf [1,1,0,0,0,0|0,0,1]=3 1517 B9R0.45 CCCCCNCCC=O eb975a62ee073d19d198cbf0dd0dbc33 [1,1,0,0,0,0|0,0,2]=4 1518 B9R0.45 CCCCCOC/C=C/Cl 902b3675920ce425dd913260445c6a1b [1,1,0,0,0,0|1,0,1]=4 1519 B9R0.45 CCCCCOC/C=C\Cl 3081f394d252ec216de633eb3f90aefe [1,1,0,0,0,0|1,0,1]=4 1520 B9R0.45 CCCCCOCC=CCl 1caf48ce8f7b269d545bfce57c62ccdf [1,1,0,0,0,0|1,0,1]=4 1521 B9R0.45 CCCCCOCCC=O ed64f81c6eb909127bbb96fe2d29088b [1,1,0,0,0,0|0,0,2]=4 1522 B9R0.45 CCCCNCC=CC#N 723ac8943786171d4ae8e3b83c18cdb9 [1,1,0,0,0,0|1,0,1]=4 1523 B9R0.45 CCCCNCCCC=O be1900420fface744e26218846840016 [1,1,0,0,0,0|0,0,2]=4 1524 B9R0.45 CCCCOC/C=C/C=O 2da2f2ec693713191f08b0d2f08d4dd9 [1,1,0,0,0,0|0,0,0]=2 1525 B9R0.45 CCCCOCC=CC#N 604c3e00400d7381d624e197c000cd4a [1,1,0,0,0,0|1,0,1]=4 1526 B9R0.45 CCCCOCCCC=O e3a2ccc9f19eff655a1e3387aa118b3a [1,1,0,0,0,0|0,0,2]=4 1527 B9R0.45 CCCCOCCNC=O 4226cf4337dc176d54852a303582fe15 [1,1,0,0,0,0|1,0,1]=4 1528 B9R0.45 CCCCOCCOC=O 731530ac43d06b0807181f538b37c31d [1,1,0,0,0,0|1,0,1]=4 1529 B9R0.45 CCCNCCCCC=O f2022f14c7209eed0862d6ecf6b84706 [1,1,0,0,0,0|0,0,2]=4 1530 B9R0.45 CCCNCCOCC=O 1acace12342365729be0b4a1c8839b77 [1,1,0,0,0,0|1,0,1]=4 1531 B9R0.45 CCCOCCCCC=O 8b78d2c4a466c2768be601b9198fb016 [1,1,0,0,0,0|0,0,2]=4 1532 B9R0.45 CCCOCCCNC=O 3f83c74e540093398b86151d188b589d [1,1,0,0,0,0|1,0,1]=4 1533 B9R0.45 CCCOCCNCC=O cdec424df104fd1655eaaf340942285e [1,1,0,0,0,0|1,0,1]=4 1534 B9R0.45 CCCOCCOCC=O 486de8dd4e53e5f78a86ffc7c128bf3d [1,1,0,0,0,0|1,0,1]=4 1535 B9R0.45 CCCSCCOCC=O e8465b63891a9e011620a8eb43746fcd [1,1,0,0,0,0|1,0,1]=4 1536 B9R0.45 CCOCCCNCC=O 1df50ec465f64bbc25635b22e5db7849 [1,1,0,0,0,0|1,0,1]=4 1537 B9R0.45 CCOCCCOCC=O cf6a32481fe179a2dab7e02bde302388 [1,1,0,0,0,0|1,0,1]=4 1538 B9R0.45 CCOCCNC/C=C\O 0aa78a5fbd95032696d68861b712e14e [1,1,0,0,0,0|1,0,1]=4 1539 B9R0.45 CCOCOC/C=C/C=O 7670264f072827a60bb468ebf074bc0c [1,1,0,0,0,0|1,0,0]=3 1540 B9R0.45 CCSCCCCNC=O e3da595d950c9d5eba0c543529449821 [1,1,0,0,0,0|1,0,1]=4 1541 B9R0.45 CCSCCCOCC=O ff794a905fa0fbec7cf974222d58c65f [1,1,0,0,0,0|1,0,1]=4 1542 B9R0.45 CCSCCNC/C=C\O 25741737a09ab9cf25d1e1da49f5fc71 [1,1,0,0,0,0|1,0,1]=4 1543 B9R0.45 COCCCCCNC=O e93060d28d3ca03cb27bbc266d47205c [1,1,0,0,0,0|1,0,1]=4 1544 B9R0.45 COCCCCNCC=O bc0f621bc614bad8c542e04b6f8c00d4 [1,1,0,0,0,0|1,0,1]=4 1545 B9R0.45 COCCCCOCC=O 5bf6bdc536c03e33ef79afe0bce39d17 [1,1,0,0,0,0|1,0,1]=4 1546 B9R0.45 COCCCNC/C=C\O 7a8902930f1f9f59b8140ba9fba85efe [1,1,0,0,0,0|1,0,1]=4 1547 B9R0.45 COCCOC/C=C/C=O 967f18e0ff39d9ac3e3f1923f75f6062 [1,1,0,0,0,0|1,0,0]=3 1548 B9R0.45 CSCCCCNCC=O ceb16b1926dbac74a0dccfe6e9c90c38 [1,1,0,0,0,0|1,0,1]=4 1549 B9R0.45 CSCCCCOCC=O c382918f846eeb37fed2c51c97422532 [1,1,0,0,0,0|1,0,1]=4 1550 B9R0.45 CSCCCNC/C=C\O e7fdc99181aca5fb372020cfd9c7eca5 [1,1,0,0,0,0|1,0,1]=4 1551 B9R0.45 CSCCOC/C=C/C=O b4c56aba648070db4d17b4c5e68d691a [1,1,0,0,0,0|1,0,0]=3 1552 B9R0.45 N#CCCOC/C=C/C=O e4a2716b80077f4f03232392503fa4fa [1,1,0,0,0,0|1,0,1]=4 1553 B9R0.45 O/C=C\CNCCCCCl 32d99f4bcc2d097dc5f961a7d77eb85e [1,1,0,0,0,0|1,0,1]=4 1554 B9R0.45 O/C=C\CNCCCCO 3aa0b00108be3944a3394c12f0569f56 [1,1,0,0,0,0|1,0,1]=4 1555 B9R0.45 O/C=C\CNCCCCS e7c825c7fbc5972a6c8f8ade5068f2d0 [1,1,0,0,0,0|1,0,1]=4 1556 B9R0.45 O=C/C=C/COCCC=O 81b553fde731118cadfc516e30f5d839 [1,1,0,0,0,0|1,0,1]=4 1557 B9R0.45 O=C/C=C/COCCCF fcd18cdaba64e2c966479a4a46b113b7 [1,1,0,0,0,0|1,0,0]=3 1558 B9R0.45 O=C/C=C/COCCCS 4f5fd7cc130b52277441647b966078c4 [1,1,0,0,0,0|1,0,0]=3 1559 B9R0.45 O=CCNCCCCCCl a090314f6f7fb6541d79b47c4505cb08 [1,1,0,0,0,0|1,0,1]=4 1560 B9R0.45 O=CCNCCCCCO e20d30c887448f62cb966ff66604b03d [1,1,0,0,0,0|1,0,1]=4 1561 B9R0.45 O=CNCCCCCCCl a8d8b40eb8e24dc175f39e3613e37fe1 [1,1,0,0,0,0|1,0,1]=4 1562 B9R0.45 O=CNCCCCCCO da506faeac8e24bf810b2dadaf20a2f0 [1,1,0,0,0,0|1,0,1]=4 1563 B9R0.46 C=C(C=O)OCCCCC 73f23f9026875d2248a24c18d18361c4 [1,1,0,0,0,0|1,0,0]=3 1564 B9R0.46 C=C(C=O)OCCCCF 8d400df337a58e1ceb6bd7f7af37aef7 [1,1,0,0,0,0|2,0,0]=4 1565 B9R0.46 C=C(C=O)OCCCOC a7e10a6b7893363a34f234fe99f6d0a8 [1,1,0,0,0,0|2,0,0]=4 1566 B9R0.46 C=C(C=O)OCCCSC 234b14463c3e346d12feb8fafbbb4546 [1,1,0,0,0,0|2,0,0]=4 1567 B9R0.46 C=C(C=O)OCCOCC 06963c60068c2ced5ea76633006ea325 [1,1,0,0,0,0|2,0,0]=4 1568 B9R0.46 C=C(C=O)OCCSCC 96f672738e2630286ff8bb377631ed54 [1,1,0,0,0,0|2,0,0]=4 1569 B9R0.46 C=CC(=O)NCCCCC 3b0f86819ad9750509b8e015b4922164 [1,1,0,0,0,0|2,0,0]=4 1570 B9R0.46 CCC(C)CCNCC=O a6e7e31b7174e33afbb2e49091f71799 [1,1,0,0,0,0|1,0,1]=4 1571 B9R0.46 CCC(C)CCOCC=O ffa804ef82eba2baed5b236b8174cc5b [1,1,0,0,0,0|1,0,1]=4 1572 B9R0.46 CCC(C)CNC/C=C\O 90bd54a66986bb6bce0703b366636de2 [1,1,0,0,0,0|1,0,1]=4 1573 B9R0.46 CCC(C)OC/C=C/C=O 7471c5bfeff4720f5ec50f2bf3ea2c4e [1,1,0,0,0,0|1,0,0]=3 1574 B9R0.46 CCC(O)CNC/C=C\O 5486a19119aec4202bff499e11ea5364 [1,1,0,0,0,0|1,0,1]=4 1575 B9R0.46 CCC(S)CCOCC=O ec52efc3fa4920f55eb496eb0701f7dc [1,1,0,0,0,0|1,0,1]=4 1576 B9R0.46 CCCCCCN(C)C=O bb80d4044c0f59026002adf38475cf21 [1,1,0,0,0,0|1,0,1]=4 1577 B9R0.46 CCCCCNC(=O)C=O f4e49d97916bc3a259206e9c19346054 [1,1,0,0,0,0|1,0,0]=3 1578 B9R0.46 CCCCCNC(=O)CO ec7a3042859a9f12ba052c0da8e4a7aa [1,1,0,0,0,0|1,0,1]=4 1579 B9R0.46 CCCCCNC(C)C=O a1e76f644541968a2425e9e5ecba0c50 [1,1,0,0,0,0|1,0,1]=4 1580 B9R0.46 CCCCCN[C@H](C)C=O f165fdff1e1cb70bd9666da848ba80ab [1,1,0,0,0,0|1,0,1]=4 1581 B9R0.46 CCCCCOC(C)C=O e16af054a8530937c558322756befd3b [1,1,0,0,0,0|1,0,1]=4 1582 B9R0.46 CCCCCO[C@H](C)C=O a119465539c723056c69d3cef66a5d39 [1,1,0,0,0,0|1,0,1]=4 1583 B9R0.46 CCOCCNC(=O)C=O 966071d4cf498dd5a511ec54d32c5f46 [1,1,0,0,0,0|2,0,0]=4 1584 B9R0.46 CCSCCNC(=O)C=O 3415b748537b6650cc2320e075e8660e [1,1,0,0,0,0|2,0,0]=4 1585 B9R0.46 CC[C@@H](O)CNC/C=C\O 69b8df0c26033788f9408bbecd65cb25 [1,1,0,0,0,0|1,0,1]=4 1586 B9R0.46 CC[C@H](C)CCOCC=O 80dda8846c63ca08a849cc59acf34bed [1,1,0,0,0,0|1,0,1]=4 1587 B9R0.46 CC[C@H](C)CNC/C=C\O 55fce6d0bf68eea0a0fb8506f2d646b0 [1,1,0,0,0,0|1,0,1]=4 1588 B9R0.46 COCCCNC(=O)C=O 290a8c213bc9c4ea2729eb9887e718d1 [1,1,0,0,0,0|2,0,0]=4 1589 B9R0.46 CSCCCNC(=O)C=O 28d590702e0165389862aff03ca57c7e [1,1,0,0,0,0|2,0,0]=4 1590 B9R0.46 O=CC(=O)NCCCCCl 2c631277b132dc9b6613657e3eccfe36 [1,1,0,0,0,0|2,0,0]=4 1591 B9R0.46 O=CC(=O)NCCCCO 5fd0c54a12d8e68e68b582ab82f25438 [1,1,0,0,0,0|2,0,0]=4 1592 B9R0.46 O=CC(=O)NCCCCS 8f6bba6de16ad95183bd9d73abba60eb [1,1,0,0,0,0|2,0,0]=4 1593 B9R0.1 CCC(C)CCNC(=O)C 2da423144efbc22bf5c1e3503bb1535e [1,1,0,0,0,0|2,0,0]=4 1594 B9R0.1 CCC(C)CNCC(=O)O 87c69323a9e1a04a6ee6d76377703b82 [1,1,0,0,0,0|1,0,1]=4 1595 B9R0.1 CCC(C)COCC(=O)O 1a5759c434f27c176d5bad2fa82f04ef [1,1,0,0,0,0|1,0,1]=4 1596 B9R0.1 CCC(C)NCCC(=O)O a58859ee191bb6759b209bcd54bebe4e [1,1,0,0,0,0|1,0,1]=4 1597 B9R0.1 CCC(C)OCCC(=O)O 861df1c98ebd5a3521ba6de3206bc80e [1,1,0,0,0,0|1,0,1]=4 1598 B9R0.1 CCC(O)CNCC(=O)O 03d5356d375bf79d740c17da46436b7f [1,1,0,0,0,0|1,0,1]=4 1599 B9R0.1 CCN(C)C/C=C/C(=O)O c59393b71dfbf874e824ace25c6dde8a [1,1,0,0,0,0|1,0,0]=3 1600 B9R0.1 CCN(C)CC=CC(=O)O 2b5cd669133f9500117e44a88402af2e [1,1,0,0,0,0|1,0,0]=3 1601 B9R0.1 CCN(C)CCCC(=O)O 95bc41ded99741417784aba721ce87aa [1,1,0,0,0,0|1,0,1]=4 1602 B9R0.1 CC[C@@H](C)CNCC(=O)O 98f2dd2d2950413d052b4cb7e53dbe2b [1,1,0,0,0,0|1,0,1]=4 1603 B9R0.1 CC[C@@H](C)COCC(=O)O 8b143e0422b6a9e950b67a2c284bdd65 [1,1,0,0,0,0|1,0,1]=4 1604 B9R0.1 CC[C@@H](C)NCCC(=O)O 1e341985822ae038516e7d3d57e3d5f1 [1,1,0,0,0,0|1,0,1]=4 1605 B9R0.1 CC[C@@H](C)OCCC(=O)O 460df0b016032744699dec10515440f9 [1,1,0,0,0,0|1,0,1]=4 1606 B9R0.1 CC[C@@H](O)CNCC(=O)O 03733baf1864df61afe14ccbe323ed3e [1,1,0,0,0,0|1,0,1]=4 1607 B9R0.1 CC[C@H](C)CNCC(=O)O 3004fae72bd867afedf99bbbfea959f0 [1,1,0,0,0,0|1,0,1]=4 1608 B9R0.1 CC[C@H](C)COCC(=O)O d94c701382e65cef3df369dbbe944763 [1,1,0,0,0,0|1,0,1]=4 1609 B9R0.1 CC[C@H](C)NCCC(=O)O 9ce7a4b5931e874b441152425137209a [1,1,0,0,0,0|1,0,1]=4 1610 B9R0.1 CC[C@H](C)OCCC(=O)O 8aec70cd34e530a63d290d1ba3130012 [1,1,0,0,0,0|1,0,1]=4 1611 B9R0.4 CCCCC(C)NC(=O)C 8c6d1ed0c215b53ce5178d84ca54f179 [1,1,0,0,0,0|2,0,0]=4 1612 B9R0.4 CCCCN(C)CC(=O)O 2ab0d2e55fe8aec010bf103a963bc69a [1,1,0,0,0,0|1,0,1]=4 1613 B9R0.4 CCCC[C@@H](C)NC(=O)C 438042d33778c53023e503021e96ec24 [1,1,0,0,0,0|2,0,0]=4 1614 B9R0.4 CCCNC(C)CC(=O)O 2d5bf9ae8b9d33e8e5f89637131f543d [1,1,0,0,0,0|1,0,1]=4 1615 B9R0.4 CCCN[C@@H](C)CC(=O)O 7dd12827a70b6d0f3eb1d105dd87e0f1 [1,1,0,0,0,0|1,0,1]=4 1616 B9R0.4 CCCN[C@H](C)CC(=O)O 49558fe427823d5af7fc8494312831dd [1,1,0,0,0,0|1,0,1]=4 1617 B9R0.4 CCCOC(C)CC(=O)O 464f5b57c4d27de1c96f770591eff582 [1,1,0,0,0,0|1,0,1]=4 1618 B9R0.4 CCCO[C@@H](C)CC(=O)O 672c62b3f5b285724de30ca7be3b4175 [1,1,0,0,0,0|1,0,1]=4 1619 B9R0.4 CCCO[C@H](C)CC(=O)O 78d34951f815792f2a0561852a75d7ea [1,1,0,0,0,0|1,0,1]=4 1620 B9R0.4 CCNCC(O)CC(=O)O 02bb2a3b8bce33db43c21894720f909a [1,1,0,0,0,0|1,0,1]=4 1621 B9R0.4 CCNC[C@@H](O)CC(=O)O 54b4ddf2085c3305103a3bf1339d420e [1,1,0,0,0,0|1,0,1]=4 1622 B9R0.4 CCNC[C@H](O)CC(=O)O 4584b045ec61df30c14bf052bebdc4b7 [1,1,0,0,0,0|1,0,1]=4 1623 B9R0.47 C=C(CNCCBr)C(=O)O c2988fd0f1c2ff5b40abfbf5100d37f2 [1,1,0,0,0,0|2,0,0]=4 1624 B9R0.47 C=C(CNCCC)C(=O)O cc82fa0972a2a8db8be4ec490c803358 [1,1,0,0,0,0|1,0,0]=3 1625 B9R0.47 C=C(CNCCF)C(=O)O 791053d442571eec44ea42a595c51f93 [1,1,0,0,0,0|2,0,0]=4 1626 B9R0.47 C=C(CNCCI)C(=O)O 1550abda08210dcfc820980fc4556b50 [1,1,0,0,0,0|2,0,0]=4 1627 B9R0.47 C=C(CNCCO)C(=O)O 927d3c374dca002677ce011f1f1589f4 [1,1,0,0,0,0|2,0,0]=4 1628 B9R0.47 C=C(CNCCS)C(=O)O 7b229baff524caf3fcc37a51ebbcbfe5 [1,1,0,0,0,0|2,0,0]=4 1629 B9R0.47 C=C(COCCC)C(=O)O 6349e1fecc0027622ab4063869db7ad1 [1,1,0,0,0,0|1,0,0]=3 1630 B9R0.47 C=C(COCCF)C(=O)O 8e5f19ef7ea198153a766caad601e6d3 [1,1,0,0,0,0|2,0,0]=4 1631 B9R0.47 C=C(COCCS)C(=O)O d26062daf53a0693123b55ae449b4416 [1,1,0,0,0,0|2,0,0]=4 1632 B9R0.47 C=C(COCOC)C(=O)O db9a1d87974cd7afb451a971dc800c29 [1,1,0,0,0,0|2,0,0]=4 1633 B9R0.47 C=C(COCSC)C(=O)O e48cab1f5cec74e7f20a44e87bb004f7 [1,1,0,0,0,0|2,0,0]=4 1634 B9R0.47 CCCCCN(C)C(=O)C 2c74dcf8a8d2f2ed76b3ed946ed64f15 [1,1,0,0,0,0|2,0,0]=4 1635 B9R0.47 CCCCNC(=O)C(=O)C e2af56b2a4daa16b7084e7fa0ba1fc1b [1,1,0,0,0,0|2,0,0]=4 1636 B9R0.47 CCCCNC(=O)C(=O)N b915f31213bcde5e67bb9bcc60169849 [1,1,0,0,0,0|2,0,0]=4 1637 B9R0.47 CCCCNC(C)C(=O)O 5312a5a4ac0d505f773570b1c1dc7471 [1,1,0,0,0,0|1,0,1]=4 1638 B9R0.47 CCCCNC(O)C(=O)O 374139cd4b934cd91b6a9ec96c5a0b99 [1,1,0,0,0,0|1,0,1]=4 1639 B9R0.47 CCCCN[C@@H](C)C(=O)O 519d28cb2ff838f7dcf305efd2de1951 [1,1,0,0,0,0|1,0,1]=4 1640 B9R0.47 CCCCN[C@H](C)C(=O)O cd795f2ef98308f6ebf803867211dca8 [1,1,0,0,0,0|1,0,1]=4 1641 B9R0.47 CCCCOC(C)C(=O)O db49def1ae579c60f3b0671857091689 [1,1,0,0,0,0|1,0,1]=4 1642 B9R0.47 CCCCOC(F)C(=O)O 8211b720c423c5874363ee681b819aaa [1,1,0,0,0,0|1,0,1]=4 1643 B9R0.47 CCCCO[C@@H](C)C(=O)O cd3f9b9b4a86455f190433fe9f8db5a9 [1,1,0,0,0,0|1,0,1]=4 1644 B9R0.47 CCCCO[C@@H](F)C(=O)O 000616a107be951056a3f838e90d9eca [1,1,0,0,0,0|1,0,1]=4 1645 B9R0.47 CCCCO[C@H](C)C(=O)O e439b368527339689ee28968ccfcc65d [1,1,0,0,0,0|1,0,1]=4 1646 B9R0.47 CCCNCC(=O)C(=O)C 7ba1a39130517d9740af6669e15ee16e [1,1,0,0,0,0|2,0,0]=4 1647 B9R0.47 CCCNCC(=O)C(=O)O 4e1ace0c3acec461be076667f808e14c [1,1,0,0,0,0|1,0,0]=3 1648 B9R0.47 CCCNCC(C)C(=O)O df101b2a4eccba21dd748dca20be9479 [1,1,0,0,0,0|1,0,1]=4 1649 B9R0.47 CCCNCC(F)C(=O)O c424bf5fdad9394b2863cdbd39db5b69 [1,1,0,0,0,0|1,0,1]=4 1650 B9R0.47 CCCNCC(O)C(=O)O 2648cab5ee8c3b07365f1f506b48755c [1,1,0,0,0,0|1,0,1]=4 1651 B9R0.47 CCCNC[C@@H](C)C(=O)O 83ebdb782f465b5108f0a9b96c31c62f [1,1,0,0,0,0|1,0,1]=4 1652 B9R0.47 CCCNC[C@@H](O)C(=O)O 5bb6cbd33c7a84f97677cc53d1e89528 [1,1,0,0,0,0|1,0,1]=4 1653 B9R0.47 CCCNC[C@H](C)C(=O)O b977d522c2650a4380e1fc55b1dfdbae [1,1,0,0,0,0|1,0,1]=4 1654 B9R0.47 CCCNC[C@H](O)C(=O)O 780ad4a9450a1bac8a15804493ca1eef [1,1,0,0,0,0|1,0,1]=4 1655 B9R0.47 CCCOCC(=O)C(=O)C ab7906fc53dd4771247d3e1650b32b1f [1,1,0,0,0,0|2,0,0]=4 1656 B9R0.47 CCCOCC(=O)C(=O)O 3444cb5fc32d35bbafaf1d62d3b1c125 [1,1,0,0,0,0|1,0,0]=3 1657 B9R0.47 CCCOCC(C)C(=O)O ff2ba4e0a2c279fc884d0931d786ae76 [1,1,0,0,0,0|1,0,1]=4 1658 B9R0.47 CCCOC[C@@H](C)C(=O)O 4a2415868647637e65ed1231682aaac2 [1,1,0,0,0,0|1,0,1]=4 1659 B9R0.47 CCCOC[C@H](C)C(=O)O 706288de414bed30341fbfa56c954104 [1,1,0,0,0,0|1,0,1]=4 1660 B9R0.47 CCNCCC(F)C(=O)O 3e22a7816eb30765d4c29cc51ffeed2c [1,1,0,0,0,0|1,0,1]=4 1661 B9R0.47 CCNCCC(O)C(=O)O fb8274a5700c97b8157ec9912644b4bf [1,1,0,0,0,0|1,0,1]=4 1662 B9R0.47 CCNCC[C@H](O)C(=O)O a43a204ad767fe5fa54ef33d97357dbf [1,1,0,0,0,0|1,0,1]=4 1663 B9R0.47 COCOCC(=O)C(=O)O a42fc4526b86b815783bc412827ed67f [1,1,0,0,0,0|2,0,0]=4 1664 B9R0.47 O=C(O)C(=O)CNCCBr f6651853e52af775211a93fc42b73664 [1,1,0,0,0,0|2,0,0]=4 1665 B9R0.47 O=C(O)C(=O)CNCCF a5eef4c013481978b3e177e7376126bb [1,1,0,0,0,0|2,0,0]=4 1666 B9R0.47 O=C(O)C(=O)CNCCI c428e759e713f445f24952fbd8bf0823 [1,1,0,0,0,0|2,0,0]=4 1667 B9R0.47 O=C(O)C(=O)CNCCO fd1bcde29292cc872de9cc5361703dcf [1,1,0,0,0,0|2,0,0]=4 1668 B9R0.47 O=C(O)C(=O)CNCCS b31fbb8366edfe8e4009c3f2bb659eed [1,1,0,0,0,0|2,0,0]=4 1669 B9R0.47 O=C(O)C(=O)COCCS 217dd678c30b71c11c4400350b430f7f [1,1,0,0,0,0|2,0,0]=4 1670 B9R0.48 CCCC(C)NCC(=O)O cc1e9c4996e6fef62cc1269e902e2107 [1,1,0,0,0,0|1,0,1]=4 1671 B9R0.48 CCCC(C)OCC(=O)O 841e752dc9ac365809a80143d547b4ea [1,1,0,0,0,0|1,0,1]=4 1672 B9R0.48 CCCC(O)CNC(=O)C 5b570a4d674c9d38425ae4777e887a42 [1,1,0,0,0,0|2,0,0]=4 1673 B9R0.48 CCCN(C)CCC(=O)O c326725f005578bca676b9f1f6f13638 [1,1,0,0,0,0|1,0,1]=4 1674 B9R0.48 CCC[C@@H](C)OCC(=O)O 51c501112f8d973994eff73221ed5619 [1,1,0,0,0,0|1,0,1]=4 1675 B9R0.48 CCC[C@H](C)NCC(=O)O e4aa324610e7a29c03d24a187e7b9bea [1,1,0,0,0,0|1,0,1]=4 1676 B9R0.48 CCC[C@H](C)OCC(=O)O 21190ebbab7da0abc6514346eed4dcf5 [1,1,0,0,0,0|1,0,1]=4 1677 B9R0.48 CCNC(C)CCC(=O)O 7dbe459581ff5b66cbefd9a1d696ad43 [1,1,0,0,0,0|1,0,1]=4 1678 B9R0.48 CCN[C@@H](C)CCC(=O)O c2d632f7e33174af2c524d9023ca075b [1,1,0,0,0,0|1,0,1]=4 1679 B9R0.48 CCOC(C)CCC(=O)O 31641a6cc61a92f98818e768ef37979d [1,1,0,0,0,0|1,0,1]=4 1680 B9R0.55 CC(=O)NCCCC(C)C fb53002ebde56b3103c957e1e4a39dab [1,1,0,0,0,0|2,0,0]=4 1681 B9R0.55 CC(C)CCNCC(=O)O bae9df2f573f745ee71bdebc170a935b [1,1,0,0,0,0|1,0,1]=4 1682 B9R0.55 CC(C)CCOCC(=O)O e88766c3f11bcdb2fdb3cb88ad21cf09 [1,1,0,0,0,0|1,0,1]=4 1683 B9R0.55 CC(C)CNCCC(=O)O c1d65499ae131aec028ce1008fad9272 [1,1,0,0,0,0|1,0,1]=4 1684 B9R0.55 CC(C)COCCC(=O)O 1a7492ddc84059d0e80957dca0a4ad8a [1,1,0,0,0,0|1,0,1]=4 1685 B9R0.55 CC(C)NC/C=C/C(=O)O ae9dbd87f20c6972a3670d953188c3ce [1,1,0,0,0,0|1,0,0]=3 1686 B9R0.55 CC(C)NCC=CC(=O)O 8c3eb5e4ab7e707382a244b29e0cbb5e [1,1,0,0,0,0|1,0,0]=3 1687 B9R0.55 CC(C)NCCCC(=O)O 01eb41f71d44f45aa45fe88cad39755b [1,1,0,0,0,0|1,0,1]=4 1688 B9R0.55 CC(C)OC/C=C/C(=O)O 6bbca3c32dd54059c9ebefbdb83a4677 [1,1,0,0,0,0|1,0,0]=3 1689 B9R0.55 CC(C)OCC=CC(=O)O 0c0c6ff71b7a84b51cfd84c6c96dabb5 [1,1,0,0,0,0|1,0,0]=3 1690 B9R0.55 CC(F)COCCC(=O)O 576299124ecf48074968b3f5485a6420 [1,1,0,0,0,0|1,0,1]=4 1691 B9R0.55 CC(O)CCNCC(=O)O f5b9d99827273ca6405b63a402359712 [1,1,0,0,0,0|1,0,1]=4 1692 B9R0.55 CC(O)CNCCC(=O)O 5882e34934c12d2feca68ee09fe20110 [1,1,0,0,0,0|1,0,1]=4 1693 B9R0.55 CC(S)COCCC(=O)O b635c1384c7caeef54ad902ade79227f [1,1,0,0,0,0|1,0,1]=4 1694 B9R0.55 C[C@@H](F)COCCC(=O)O 34c340ab2328f74479e9fcc514019d74 [1,1,0,0,0,0|1,0,1]=4 1695 B9R0.55 C[C@@H](O)CCNCC(=O)O 6cb5155f5967c169f19da87fcc6fe141 [1,1,0,0,0,0|1,0,1]=4 1696 B9R0.55 C[C@@H](O)CNCCC(=O)O 89bce0b12fdfcc97280f28e831e10e33 [1,1,0,0,0,0|1,0,1]=4 1697 B9R0.55 C[C@H](F)COCCC(=O)O c8248d4a649741bb9f67d6321d2c0f56 [1,1,0,0,0,0|1,0,1]=4 1698 B9R0.55 C[C@H](O)CCNCC(=O)O ee12b5275e40fded6221f388dcb65b90 [1,1,0,0,0,0|1,0,1]=4 1699 B9R0.55 C[C@H](O)CNCCC(=O)O 1700bfa1d15f33a96885ae735b30c8fc [1,1,0,0,0,0|1,0,1]=4 1700 B11R0.1 CCCC(C)CN(C)CC(=O)O 891339aa4551fe994be4f07976b9acb3 [0,2,0,0,0,0|1,0,1]=4 1701 B11R0.1 CCCN(C)CC(=O)CC(=O)O 25d570270d058e948c5637c430e56df6 [0,2,0,0,0,0|1,0,1]=4 1702 B11R0.6 CC(C)CC(C)COCC(=O)O 0a09b4d608c81997d49f213631a89958 [0,2,0,0,0,0|1,0,1]=4 1703 B11R0.6 CC(C)CC(O)CNCC(=O)O 06ad81149081c56b63c6fc7e8b66b422 [0,2,0,0,0,0|1,0,1]=4 1704 B11R0.6 CC(C)CCCN(C)CC(=O)O 581cd1f540f8bc6bebf2b9b03ad373f9 [0,2,0,0,0,0|1,0,1]=4 1705 B11R0.6 CC(C)CN(C)C/C=C/C(=O)O 7f73810e8e6ab626b6f0194aa8713008 [0,2,0,0,0,0|1,0,0]=3 1706 B11R0.6 CC(C)CN(C)CC=CC(=O)O e7ade69c3e4eeb250af8738858979a78 [0,2,0,0,0,0|1,0,0]=3 1707 B11R0.6 CC(C)CNCC(=O)CC(=O)O cb4916ca40aa876c2a6688408a5c028e [0,2,0,0,0,0|1,0,1]=4 1708 B11R0.6 CC(C)COCC(=O)CC(=O)O 373816fbc8c91ba4f8619a21d85d301c [0,2,0,0,0,0|1,0,1]=4 1709 B11R0.6 CC(F)COCC(=O)CC(=O)O 41b381dd158e6040ba9cc916a8b434fd [0,2,0,0,0,0|1,0,1]=4 1710 B11R0.6 CC(O)CCCN(C)CC(=O)O 58a53839c9aa55ae691f3c9d7eefd233 [0,2,0,0,0,0|1,0,1]=4 1711 B11R0.6 CC(O)CN(C)C/C=C/C(=O)O ce62ee2613f3b301054233f1fcd8da56 [0,2,0,0,0,0|1,0,0]=3 1712 B11R0.6 CC(O)CN(C)CC=CC(=O)O 37c1c6d9909a159145250efe16dad209 [0,2,0,0,0,0|1,0,0]=3 1713 B11R0.6 CC(O)CNCC(=O)CC(=O)O b2b3e27f60eef31e83fa7593867bf337 [0,2,0,0,0,0|1,0,1]=4 1714 B11R0.6 CC(S)COCC(=O)CC(=O)O 177ed2013af9af1799fa012d6e469296 [0,2,0,0,0,0|1,0,1]=4 1715 B11R0.6 CN(C/C=C/C(=O)O)CC(F)F 6c12ea38d32b829d8ba944965a811c71 [0,2,0,0,0,0|2,0,0]=4 1716 B11R0.6 CN(CC=CC(=O)O)CC(F)F ed3538d8bfee7b6f1fea9ce2c05bfd71 [0,2,0,0,0,0|2,0,0]=4 1717 B11R0.6 C[C@@H](F)COCC(=O)CC(=O)O 9d110c838a33811fceef3d6840c8b87b [0,2,0,0,0,0|1,0,1]=4 1718 B11R0.6 C[C@@H](O)CNCC(=O)CC(=O)O de63503ace9c3911216bc42ad39a0cc9 [0,2,0,0,0,0|1,0,1]=4 1719 B11R0.6 C[C@H](F)COCC(=O)CC(=O)O e268da173faf50629e2bda6e0f25ee63 [0,2,0,0,0,0|1,0,1]=4 1720 B11R0.6 C[C@H](O)CN(C)C/C=C/C(=O)O b16f978e26468ef49bef5a6fcc70a4bb [0,2,0,0,0,0|1,0,0]=3 1721 B11R0.6 C[C@H](O)CN(C)CC=CC(=O)O a0a75f0694c531aa8cc0241ee3067391 [0,2,0,0,0,0|1,0,0]=3 1722 B11R0.6 C[C@H](O)CNCC(=O)CC(=O)O 948ce9852a01ebd0cbd299ca7586e53c [0,2,0,0,0,0|1,0,1]=4 1723 B11R0.45 CCCC(CC)COCC(=O)O 0a07cc93323aabca29a119419f74de9e [0,2,0,0,0,0|1,0,1]=4 1724 B11R0.45 CCCN(CC)C/C=C/C(=O)O 99045f9b6b396f4e30213d9f5811144c [0,2,0,0,0,0|1,0,0]=3 1725 B11R0.45 CCCN(CC)CC=CC(=O)O 20f5c971c005001092740582838e45ba [0,2,0,0,0,0|1,0,0]=3 1726 B11R0.45 CCN(C/C=C/C(=O)O)CCCl 989942cd8c53474fe310650bbefdf0c6 [0,2,0,0,0,0|2,0,0]=4 1727 B11R0.45 CCN(C/C=C/C(=O)O)CCO 5cb684902ae4c1290058b2f47201e166 [0,2,0,0,0,0|2,0,0]=4 1728 B11R0.45 CCN(CC=CC(=O)O)CCCl ee9799eba2062155601956acbfdbb0ce [0,2,0,0,0,0|2,0,0]=4 1729 B11R0.45 CCN(CC=CC(=O)O)CCO 2d865f51a2218f44dfe5389d71022edf [0,2,0,0,0,0|2,0,0]=4 1730 B11R0.45 O=C(O)/C=C/CN(CO)CCO 61e374aa2653b5b9231693b2a5ab092d [0,2,0,0,0,0|2,0,0]=4 1731 B11R0.45 O=C(O)C=CCN(CO)CCO 0c154dcd514d01959b20670ad3ab8337 [0,2,0,0,0,0|2,0,0]=4 1732 B11R0.104 CCCC(C)(O)CNCC(=O)O a39055491780673af87eddad5b53e175 [0,2,0,0,0,0|1,0,1]=4 1733 B11R0.141 C=C(CNC(C)CCC)C(=O)O 640103b0de59380c23691687e20e7126 [0,2,0,0,0,0|1,0,1]=4 1734 B11R0.141 C=C(CN[C@@H](C)CCC)C(=O)O cfa206d33c5930cf799cf24f173e1231 [0,2,0,0,0,0|1,0,1]=4 1735 B11R0.141 C=C(COC(C)CCC)C(=O)O cc3acf02af10d266c148f3435a8a3e47 [0,2,0,0,0,0|1,0,1]=4 1736 B11R0.141 C=C(CO[C@@H](C)CCC)C(=O)O d8ff2cb4465c6d06498c4d27b9f61d0e [0,2,0,0,0,0|1,0,1]=4 1737 B11R0.141 C=C(CO[C@H](C)CCC)C(=O)O 9ca6f89f486b2557c2551960f1afe539 [0,2,0,0,0,0|1,0,1]=4 1738 B11R0.141 CCCC(C)CNC(C)C(=O)O 8ceeb2e5f1d64d4434a021aa91b0bc81 [0,2,0,0,0,0|1,0,1]=4 1739 B11R0.141 CCCC(C)CNC(O)C(=O)O f9fc0efa897aba242dce2dde638dee64 [0,2,0,0,0,0|1,0,1]=4 1740 B11R0.141 CCCC(C)CN[C@@H](C)C(=O)O e44714cc0165b67e27c4039a1150940d [0,2,0,0,0,0|1,0,1]=4 1741 B11R0.141 CCCC(C)CN[C@H](C)C(=O)O 917b15250696d6987f78c899c49d74e7 [0,2,0,0,0,0|1,0,1]=4 1742 B11R0.141 CCCC(C)COC(C)C(=O)O 7aeab42bcbfc587a5cc7882e0c461d2a [0,2,0,0,0,0|1,0,1]=4 1743 B11R0.141 CCCC(C)CO[C@@H](C)C(=O)O 95e5ada472b01505a833140317ca55b9 [0,2,0,0,0,0|1,0,1]=4 1744 B11R0.141 CCCC(C)CO[C@H](C)C(=O)O a68da97b1cacf672f4a62f0fa2f0f5f8 [0,2,0,0,0,0|1,0,1]=4 1745 B11R0.141 CCCC(C)NCC(=O)C(=O)O 97ff9c89215b9f35b4fee2f98fb08ca9 [0,2,0,0,0,0|1,0,1]=4 1746 B11R0.141 CCCC(O)CNC(=O)C(=O)C e379b892f28f7db5371ac8f89610abcd [0,2,0,0,0,0|2,0,0]=4 1747 B11R0.141 CCCC(O)CNC(=O)C(=O)N e5965d68d2256e307d83f4de65e2ee4b [0,2,0,0,0,0|2,0,0]=4 1748 B11R0.141 CCCC(O)CNC(C)C(=O)O b097afc8f4609160fe13c100e65a4c9f [0,2,0,0,0,0|1,0,1]=4 1749 B11R0.141 CCCC(O)CNC(F)C(=O)O a0914cdefd4e8aec719c89f83425f20c [0,2,0,0,0,0|1,0,1]=4 1750 B11R0.141 CCCC(O)CN[C@@H](C)C(=O)O b8bbb008d6b0ff08077949fe405d19ba [0,2,0,0,0,0|1,0,1]=4 1751 B11R0.141 CCCC(O)CN[C@@H](F)C(=O)O 1dd937db6f850422e97b5daef2471b2f [0,2,0,0,0,0|1,0,1]=4 1752 B11R0.141 CCCC(O)CN[C@H](C)C(=O)O 55b84b4d4cabc87d69c61a7446577740 [0,2,0,0,0,0|1,0,1]=4 1753 B11R0.141 CCC[C@H](C)NCC(=O)C(=O)O a1eb51d4aca91530fd776000d03249db [0,2,0,0,0,0|1,0,1]=4 1754 B11R0.145 CC(CO)N(C)C/C=C/C(=O)O 5375b81dd745ac7c6eb97df9be720a6d [0,2,0,0,0,0|2,0,0]=4 1755 B11R0.145 CC(CO)N(C)CC=CC(=O)O 432956db478c76a089e9ccfe97ad8f9b [0,2,0,0,0,0|2,0,0]=4 1756 B11R0.145 CCC(C)N(C)C/C=C/C(=O)O b4829e73acc6aa76f0699e1bfefc2ea6 [0,2,0,0,0,0|1,0,0]=3 1757 B11R0.145 CCC(C)N(C)CC=CC(=O)O 77ddc410c31468d74baf6712426fb4b9 [0,2,0,0,0,0|1,0,0]=3 1758 B11R0.145 CCC(S)C(C)COCC(=O)O 62072fca2b5f77c50139da2dd9128a4b [0,2,0,0,0,0|1,0,1]=4 1759 B11R0.145 C[C@@H](CO)N(C)C/C=C/C(=O)O cfe2f78975a3ff008cc64ce5eaa16120 [0,2,0,0,0,0|2,0,0]=4 1760 B11R0.145 C[C@@H](CO)N(C)CC=CC(=O)O f33ac7b0fab51662bb4a44ea39d20e59 [0,2,0,0,0,0|2,0,0]=4 1761 B11R0.145 C[C@H](CO)N(C)C/C=C/C(=O)O b59fca0c8fc5953b8bf2b15bc340f092 [0,2,0,0,0,0|2,0,0]=4 1762 B11R0.145 C[C@H](CO)N(C)CC=CC(=O)O 35408ae071c4cd1a81a9732df3c2d950 [0,2,0,0,0,0|2,0,0]=4 1763 B11R0.147 C#CCCN(C)C/C=C/C(=O)O af3541a1e31bdb1d2475bcc01169918e [0,2,0,0,0,0|0,0,2]=4 1764 B11R0.147 C#CCCN(C)CC=CC(=O)O 65ae487fb24db75ee46d086c610e6e2f [0,2,0,0,0,0|0,0,2]=4 1765 B11R0.147 C=CCCN(C)C/C=C/C(=O)O 5120750fc9ddbd534e0ac82f00ba3049 [0,2,0,0,0,0|0,0,2]=4 1766 B11R0.147 C=CCCN(C)CC=CC(=O)O d06a28c6b46a78b4a588d9170de4ed40 [0,2,0,0,0,0|0,0,2]=4 1767 B11R0.147 CCCCC(C)COCC(=O)O 9ef64333eda5ab77446d850437b4b702 [0,2,0,0,0,0|0,0,2]=4 1768 B11R0.147 CCCCC(C)NCCC(=O)O c7b1f15f3546628c2966408987ee05d4 [0,2,0,0,0,0|0,0,2]=4 1769 B11R0.147 CCCCC(O)CNCC(=O)O 12d23a216214115c26b91a124bcfe6f6 [0,2,0,0,0,0|0,0,2]=4 1770 B11R0.147 CCCCN(C)C/C=C/C(=O)O 1468e44538bb2dcf9e68348869022de5 [0,2,0,0,0,0|0,0,0]=2 1771 B11R0.147 CCCCN(C)CC=CC(=O)O 91523936f35958628669ae3746fa7c61 [0,2,0,0,0,0|0,0,0]=2 1772 B11R0.147 CCCCN(C)CCCC(=O)O d27e769f81999c0feb094daf3684f278 [0,2,0,0,0,0|0,0,2]=4 1773 B11R0.147 CCCC[C@@H](C)NCCC(=O)O b6fdd76e08178d66c6878d9a951d46a6 [0,2,0,0,0,0|0,0,2]=4 1774 B11R0.147 CCOCC(C)COCC(=O)O 1860f499eedd358b2cf3ff06452df843 [0,2,0,0,0,0|1,0,1]=4 1775 B11R0.147 CCOCC(O)CNCC(=O)O 612508c3ec489602335763d22880faab [0,2,0,0,0,0|1,0,1]=4 1776 B11R0.147 CN(C/C=C/C(=O)O)CCC#N 57898e311645525686dcacedc6c09a45 [0,2,0,0,0,0|1,0,1]=4 1777 B11R0.147 CN(C/C=C/C(=O)O)CCCO c1f2d86f29c9d6c6b13fb17e5971e39f [0,2,0,0,0,0|1,0,0]=3 1778 B11R0.147 CN(C/C=C/C(=O)O)CCON 441fdb90d90e5be05d57e10fb8b929c0 [0,2,0,0,0,0|2,0,0]=4 1779 B11R0.147 CN(CC=CC(=O)O)CCC#N f88981129a3a5bd79c1f45abc93aba50 [0,2,0,0,0,0|1,0,1]=4 1780 B11R0.147 CN(CC=CC(=O)O)CCCO 768b3eaf55c06eb4d6d7500a8960cfab [0,2,0,0,0,0|1,0,0]=3 1781 B11R0.147 CN(CC=CC(=O)O)CCON cc538f9286931508dc8d3edbe1cdcbc6 [0,2,0,0,0,0|2,0,0]=4 1782 B11R0.147 COCCN(C)C/C=C/C(=O)O 6a6f940a822d39721b48c8a2bfd5538c [0,2,0,0,0,0|1,0,0]=3 1783 B11R0.147 COCCN(C)CC=CC(=O)O 24b0da4c881f9e75deed9bb0944ffb33 [0,2,0,0,0,0|1,0,0]=3 1784 B11R0.147 CSCCN(C)C/C=C/C(=O)O eadc465c0c24ba3695cdb5b4dfa8e34e [0,2,0,0,0,0|1,0,0]=3 1785 B11R0.147 CSCCN(C)CC=CC(=O)O 1a7478ce6518a9f0744bf589f7503267 [0,2,0,0,0,0|1,0,0]=3 1786 B11R0.147 C[C@H](CCCO)CNCC(=O)O 5a64b86a049ce0228ff2384ea32773b8 [0,2,0,0,0,0|1,0,1]=4 1787 B11R0.174 CCCC(C)CNCC(=O)NO 43c4ca738e4d7e67584ef78a3ce46185 [0,2,0,0,0,0|1,0,1]=4 1788 B11R0.174 CCCC(C)CNCC(=O)OC d94197d0b88a2b807c1a7f37d3ee1a25 [0,2,0,0,0,0|1,0,1]=4 1789 B11R0.174 CCCC(C)COCC(=O)OC c8cdc297b47c32fa9cddb65adece86bf [0,2,0,0,0,0|1,0,1]=4 1790 B11R0.174 CCCC(O)CNCC(=O)CO d7db3efad85d3dfa9117f981c6cf0e60 [0,2,0,0,0,0|1,0,1]=4 1791 B11R0.174 CCCC(O)CNCC(=O)OC 58110736a5c625cd64b261c983eddab2 [0,2,0,0,0,0|1,0,1]=4 1792 B11R0.174 CCCN(C)C/C=C/C(=O)OC 4ba16909d04b778724e230455592cec0 [0,2,0,0,0,0|1,0,0]=3 1793 B11R0.174 CCCN(C)C/C=C\C(=O)OC 5e293a783da1a98c57ba6ffc19ef6607 [0,2,0,0,0,0|1,0,0]=3 1794 B11R0.174 CCCN(C)CC=CC(=O)OC 2bce6ab24884b088429951777f291dbb [0,2,0,0,0,0|1,0,0]=3 1795 B11R0.174 COC(=O)/C=C/CN(C)CCF c3c0027524738d8f3a32a62c8775638a [0,2,0,0,0,0|2,0,0]=4 1796 B11R0.174 COC(=O)/C=C/CN(C)CCO 491f5262993924bc6d341af2c9f687ed [0,2,0,0,0,0|2,0,0]=4 1797 B11R0.174 COC(=O)/C=C\CN(C)CCF 26e9e160a896bab3c1f19a58feb7aa75 [0,2,0,0,0,0|2,0,0]=4 1798 B11R0.174 COC(=O)/C=C\CN(C)CCO 30e1d2c3ad7b8f9538a16a565f653b62 [0,2,0,0,0,0|2,0,0]=4 1799 B11R0.174 COC(=O)C=CCN(C)CCF af6686cc9cbe724bbcd9e2ed5aeac5c3 [0,2,0,0,0,0|2,0,0]=4 1800 B11R0.174 COC(=O)C=CCN(C)CCO 30478512056b3ca73b92e469f1d2cc84 [0,2,0,0,0,0|2,0,0]=4 1801 B11R0.2 CCCCCCN(C)CC(=O)O fffbd83ababffa159958606d9a112cce [0,2,0,0,0,0|0,0,2]=4 1802 B11R0.2 CCCCCNC(=O)/C=C(/C)\Cl 8f94c10cdfeece593e76e19ea58097fa [0,2,0,0,0,0|2,0,0]=4 1803 B11R0.2 CCCCCNC(=O)/C=C(/C)\I 291c9e92043fb697d65a231eebee929e [0,2,0,0,0,0|2,0,0]=4 1804 B11R0.2 CCCCCNC(=O)/C=C(\C)/Cl f5f438e08f990cbca50a72e04eb83e74 [0,2,0,0,0,0|2,0,0]=4 1805 B11R0.2 CCCCCNC(=O)C=C(Br)Br afc7c4f45ac3f282532fcd04d0cc8018 [0,2,0,0,0,0|2,0,0]=4 1806 B11R0.2 CCCCCNC(=O)C=C(C)C dcf40b5f1c3e670ba807e767e8d9896a [0,2,0,0,0,0|2,0,0]=4 1807 B11R0.2 CCCCCNC(=O)C=C(C)I f7d7ee33b8c575fc7d4f840c0ffffbb0 [0,2,0,0,0,0|2,0,0]=4 1808 B11R0.2 CCCCCNC(=O)C=C(Cl)Cl 1a7e8b33be3a16448dd35089152c43ea [0,2,0,0,0,0|2,0,0]=4 1809 B11R0.2 CCCCCNC(=O)CC(=O)C b9f6fefcf600ebaa9b87d233da70a209 [0,2,0,0,0,0|1,0,1]=4 1810 B11R0.2 CCCCCNC(=O)CC(=O)N 710f88fe373ae09649f4f4c926d58dc6 [0,2,0,0,0,0|1,0,1]=4 1811 B11R0.2 CCCCCNC(C)CC(=O)O 35ff80d8a8ecd4079ace6eaf7231bc4a [0,2,0,0,0,0|0,0,2]=4 1812 B11R0.2 CCCCCN[C@@H](C)CC(=O)O c45c1d80dfd9c8037699654c10768e13 [0,2,0,0,0,0|0,0,2]=4 1813 B11R0.2 CCCCCN[C@H](C)CC(=O)O de2ba2e7faa23b2ad6983512ff9a06fc [0,2,0,0,0,0|0,0,2]=4 1814 B11R0.2 CCCCCOC(C)CC(=O)O c4f6d91d5cba7a6eb60e8eedc267d663 [0,2,0,0,0,0|0,0,2]=4 1815 B11R0.2 CCCCCO[C@@H](C)CC(=O)O 760c1d1cf7508749ba57f8e374efa729 [0,2,0,0,0,0|0,0,2]=4 1816 B11R0.2 CCCCCO[C@H](C)CC(=O)O 8b6a404610ba4ea008d74ddda615d1d3 [0,2,0,0,0,0|0,0,2]=4 1817 B11R0.2 CCCCNCC(=O)CC(=O)O 924460e29012324689885e436a9da05b [0,2,0,0,0,0|0,0,1]=3 1818 B11R0.2 CCCCNCC(=O)NC(=O)C 3122c35763ea525e04ff40c5c237fa8f [0,2,0,0,0,0|2,0,0]=4 1819 B11R0.2 CCCCNCC(O)CC(=O)O 5cd44d1731f9375b8f32ca873f44f433 [0,2,0,0,0,0|0,0,2]=4 1820 B11R0.2 CCCCNC[C@@H](O)CC(=O)O 26599441bd630ac3e4d20d4b6672416d [0,2,0,0,0,0|0,0,2]=4 1821 B11R0.2 CCCCNC[C@H](O)CC(=O)O a6b23ab90314f2eda54f59837c52415c [0,2,0,0,0,0|0,0,2]=4 1822 B11R0.2 CCCCOCC(=O)CC(=O)O bee6e58f12e6a46c40700c754be2d5be [0,2,0,0,0,0|0,0,1]=3 1823 B11R0.2 CCCCOCC(=O)NC(=O)C 8fcc44ec0ea259ebb00ddb84e45f3341 [0,2,0,0,0,0|2,0,0]=4 1824 B11R0.2 CCCCOCN(C)CC(=O)O 366130abc5c0618364805b732068c639 [0,2,0,0,0,0|1,0,1]=4 1825 B11R0.2 CCCNCCC(C)CC(=O)O 3df807e8d4a6f4424410fa08035527d6 [0,2,0,0,0,0|0,0,2]=4 1826 B11R0.2 CCCOCCC(C)CC(=O)O 9bbb78eef3e48b584e04ea8fe4ce94ed [0,2,0,0,0,0|0,0,2]=4 1827 B11R0.2 CCCOCCN(C)CC(=O)O 6eb60fa6cbce5573167abece5b4dd060 [0,2,0,0,0,0|1,0,1]=4 1828 B11R0.2 CCOCCCN(C)CC(=O)O d36503e2c1e74cdc0f0b425927b33cc3 [0,2,0,0,0,0|1,0,1]=4 1829 B11R0.2 CCSCCCN(C)CC(=O)O c951f6788f00a0f0c0ef07f1b26f296c [0,2,0,0,0,0|1,0,1]=4 1830 B11R0.2 CN(CCCCCF)CC(=O)O 12639e047e14b8526dd0c46ed16ca6a0 [0,2,0,0,0,0|1,0,1]=4 1831 B11R0.2 CN(CCCCCO)CC(=O)O 83b7e21eeb46918d762b90e77be80bca [0,2,0,0,0,0|1,0,1]=4 1832 B11R0.2 COCCCCN(C)CC(=O)O 4e3b3f81e00138eb82c9761e9e6d6a82 [0,2,0,0,0,0|1,0,1]=4 1833 B11R0.2 COCCNCC(=O)CC(=O)O bdb1840c3006e89cec6865ec47dc2198 [0,2,0,0,0,0|1,0,1]=4 1834 B11R0.2 COCCOCC(=O)CC(=O)O bcc36c50188da18c0466fa20d9d00bc6 [0,2,0,0,0,0|1,0,1]=4 1835 B11R0.2 CSCCNCC(=O)CC(=O)O 9bb04c677a929b74d4311171edc7654c [0,2,0,0,0,0|1,0,1]=4 1836 B11R0.2 CSCCOCC(=O)CC(=O)O f9d2f3b95c9f4c3e9c9da0a046d530e3 [0,2,0,0,0,0|1,0,1]=4 1837 B11R0.2 O=C(O)CC(=O)CNCCCCl 4291123307c3c713ca8d13a21d642ffc [0,2,0,0,0,0|1,0,1]=4 1838 B11R0.2 O=C(O)CC(=O)CNCCCO 837198fd4c62ecd8af2369575dba3c2a [0,2,0,0,0,0|1,0,1]=4 1839 B11R0.2 O=C(O)CC(=O)COCCCF 6f7371459e632894dfa6a48be5076b95 [0,2,0,0,0,0|1,0,1]=4 1840 B11R0.30 C/C(=C/CNC/C=C/C(=O)O)/I 6538691bdcb8208eaa70e439d7217a20 [0,2,0,0,0,0|0,0,2]=4 1841 B11R0.30 C/C(=C/CNCC=CC(=O)O)/I 50d8fc2f77b50be4b6d6c51507146c70 [0,2,0,0,0,0|0,0,2]=4 1842 B11R0.30 C/C(=C/COC/C=C/C(=O)O)/Cl 7b7621fd8326e1e9408a0c2dd8f5f795 [0,2,0,0,0,0|0,0,2]=4 1843 B11R0.30 C/C(=C/COC/C=C/C(=O)O)/I c636067c773dc92ea13d5cf35be21dc8 [0,2,0,0,0,0|0,0,2]=4 1844 B11R0.30 C/C(=C/COCC=CC(=O)O)/Cl d7cdccb5582d52fe2a2de34e32180422 [0,2,0,0,0,0|0,0,2]=4 1845 B11R0.30 C/C(=C/COCC=CC(=O)O)/I cb1f0036153c94764702ab88daecccdd [0,2,0,0,0,0|0,0,2]=4 1846 B11R0.30 C/C(=C\CNC/C=C/C(=O)O)/Cl a5545f942af6c6fe691bfa5260ce2e9c [0,2,0,0,0,0|0,0,2]=4 1847 B11R0.30 C/C(=C\CNCC=CC(=O)O)/Cl 8308283e0901eb9e345e5d67ff4ef231 [0,2,0,0,0,0|0,0,2]=4 1848 B11R0.30 C/C(=C\COC/C=C/C(=O)O)/Cl 11ee8e8469b54ad0b5081999db80e2d7 [0,2,0,0,0,0|0,0,2]=4 1849 B11R0.30 C/C(=C\COCC=CC(=O)O)/Cl 00cdb60dba168819728e63adce326aa8 [0,2,0,0,0,0|0,0,2]=4 1850 B11R0.30 C=C(Br)CCOC/C=C/C(=O)O 2f91bbbe4c60e42ea9d68e66eca2adc9 [0,2,0,0,0,0|0,0,2]=4 1851 B11R0.30 C=C(Br)CCOCC=CC(=O)O 5db69b7ad3ca8ed9e45e867352d4a79c [0,2,0,0,0,0|0,0,2]=4 1852 B11R0.30 C=C(C)CCNC/C=C/C(=O)O 92ccba483c2540e8af788f8c04881731 [0,2,0,0,0,0|0,0,1]=3 1853 B11R0.30 C=C(C)CCNCC=CC(=O)O 586d62fa3b178f4164b79863fa9a5a50 [0,2,0,0,0,0|0,0,1]=3 1854 B11R0.30 C=C(C)CCOC/C=C/C(=O)O e4be49c8174c9633890989c3132deffc [0,2,0,0,0,0|0,0,1]=3 1855 B11R0.30 C=C(C)CCOCC=CC(=O)O e7cbd028ee2db05e30b23a2b5a7789c6 [0,2,0,0,0,0|0,0,1]=3 1856 B11R0.30 CC(=CCNC/C=C/C(=O)O)C 95f139dd195bc6cafa5c1b3da5160d08 [0,2,0,0,0,0|0,0,2]=4 1857 B11R0.30 CC(=CCNC/C=C/C(=O)O)Cl 62570a4fc7431dadb2b18e9f0ee8fecb [0,2,0,0,0,0|0,0,2]=4 1858 B11R0.30 CC(=CCNC/C=C/C(=O)O)I 0556296b5614aaaee2dd6676f08bbd00 [0,2,0,0,0,0|0,0,2]=4 1859 B11R0.30 CC(=CCNCC=CC(=O)O)C 39410d1283ff8e227cd21be11471e950 [0,2,0,0,0,0|0,0,2]=4 1860 B11R0.30 CC(=CCNCC=CC(=O)O)Cl 251e7df6ac0d7e2df2ae0b3eb5967523 [0,2,0,0,0,0|0,0,2]=4 1861 B11R0.30 CC(=CCNCC=CC(=O)O)I cdd9451b5bf6825ac67ecd84d31ec28b [0,2,0,0,0,0|0,0,2]=4 1862 B11R0.30 CC(=CCOC/C=C/C(=O)O)C 907495c455398cfc84128087bf9471c2 [0,2,0,0,0,0|0,0,2]=4 1863 B11R0.30 CC(=CCOC/C=C/C(=O)O)Cl d366f97aaa46d79b3a261ab3de618a80 [0,2,0,0,0,0|0,0,2]=4 1864 B11R0.30 CC(=CCOC/C=C/C(=O)O)I ad62df587e45f707600e8d53aadf893e [0,2,0,0,0,0|0,0,2]=4 1865 B11R0.30 CC(=CCOCC=CC(=O)O)C 14bdab18fa4a993b289437ba7f528b0a [0,2,0,0,0,0|0,0,2]=4 1866 B11R0.30 CC(=CCOCC=CC(=O)O)Cl 2b336cc9235a5ffdf076d2da32b2501b [0,2,0,0,0,0|0,0,2]=4 1867 B11R0.30 CC(=CCOCC=CC(=O)O)I 8b5d95ff9623b1a78bfb7d458364bfff [0,2,0,0,0,0|0,0,2]=4 1868 B11R0.30 CC(=O)CCCCNCC(=O)O 1c57a7ba0f4b7994ec3637755a7dd6e5 [0,2,0,0,0,0|1,0,1]=4 1869 B11R0.30 CC(=O)CCCCOCC(=O)O 9b9d1beac29b1e52af0a87800aa596f1 [0,2,0,0,0,0|1,0,1]=4 1870 B11R0.30 CC(=O)CCNC/C=C/C(=O)O 7a4ebd59e5ad3afb9cf8df65ebf4eac8 [0,2,0,0,0,0|0,0,1]=3 1871 B11R0.30 CC(=O)CCNCC=CC(=O)O 0484146d167f36793199f5aa719b70a3 [0,2,0,0,0,0|0,0,1]=3 1872 B11R0.30 CC(=O)CCOC/C=C/C(=O)O d388876d0b84f9808b8712bb0816c66e [0,2,0,0,0,0|0,0,1]=3 1873 B11R0.30 CC(=O)CCOCC=CC(=O)O d983ebf27e9af0eefce348505ae76e32 [0,2,0,0,0,0|0,0,1]=3 1874 B11R0.30 CC(=O)NCOC/C=C/C(=O)O 98448bccb351154190da37abc9dc4956 [0,2,0,0,0,0|1,0,1]=4 1875 B11R0.30 CC(=O)NCOCC=CC(=O)O 8c5100fa86bc16eb5d448b1af08bca1c [0,2,0,0,0,0|1,0,1]=4 1876 B11R0.30 CC(=O)OCNC/C=C/C(=O)O 03a3d0b4d2a69bb5d5b7d9c5aa95ab5d [0,2,0,0,0,0|1,0,1]=4 1877 B11R0.30 CC(=O)OCNCC=CC(=O)O 681c63b7a0e50d20f20d1065bbd966c0 [0,2,0,0,0,0|1,0,1]=4 1878 B11R0.30 CC(=O)OCOC/C=C/C(=O)O d4b3655643f8595ad09c710065809b8d [0,2,0,0,0,0|1,0,1]=4 1879 B11R0.30 CC(=O)OCOCC=CC(=O)O 3632260a8a7b0fcaf3631a447645c715 [0,2,0,0,0,0|1,0,1]=4 1880 B11R0.30 CC(C)CCCCNCC(=O)O 39a93d590261e532e6f29909d3f91c16 [0,2,0,0,0,0|0,0,2]=4 1881 B11R0.30 CC(C)CCCCOCC(=O)O 11166f2d7cea686a04aab0f10eb2bc17 [0,2,0,0,0,0|0,0,2]=4 1882 B11R0.30 CC(C)CCCNCCC(=O)O 9fddffe46eb38a449aed1424523e58eb [0,2,0,0,0,0|0,0,2]=4 1883 B11R0.30 CC(C)CCCOCCC(=O)O 045ec022986b652ea5c7631767d6500a [0,2,0,0,0,0|0,0,2]=4 1884 B11R0.30 CC(C)CCNC/C=C/C(=O)O fa63abb5997eabfb03710616e719a9b8 [0,2,0,0,0,0|0,0,0]=2 1885 B11R0.30 CC(C)CCNCC#CC(=O)O 2f914b274e7785ae3d444ac2145b9ab1 [0,2,0,0,0,0|0,0,2]=4 1886 B11R0.30 CC(C)CCNCC=CC(=O)O 5d064a4bf1b9a689999d5b018a17ab99 [0,2,0,0,0,0|0,0,0]=2 1887 B11R0.30 CC(C)CCNCCCC(=O)O e6b38baa886c90ac0d215e2a16fee953 [0,2,0,0,0,0|0,0,2]=4 1888 B11R0.30 CC(C)CCOC/C=C/C(=O)O 94e0c1a3e10cd77e400f92e197de04cb [0,2,0,0,0,0|0,0,0]=2 1889 B11R0.30 CC(C)CCOCC#CC(=O)O 73bb66d65d616bd0c768a8606daf29c2 [0,2,0,0,0,0|0,0,2]=4 1890 B11R0.30 CC(C)CCOCC=CC(=O)O 4d106b42924e0cfb160e498848c9ae36 [0,2,0,0,0,0|0,0,0]=2 1891 B11R0.30 CC(C)CNCCCCC(=O)O 5548bd77a92bf974b6877feef8de1811 [0,2,0,0,0,0|0,0,2]=4 1892 B11R0.30 CC(C)CNCCOCC(=O)O 80e81b7dcba119a32def60c9dd8be241 [0,2,0,0,0,0|1,0,1]=4 1893 B11R0.30 CC(C)CNCCSCC(=O)O 9da9e86a13299c9d51ea4eaf3970a743 [0,2,0,0,0,0|1,0,1]=4 1894 B11R0.30 CC(C)COCCC#CC(=O)O 0a0142cde6f38a688002082bcda28005 [0,2,0,0,0,0|0,0,2]=4 1895 B11R0.30 CC(C)COCCCCC(=O)O 9dd6d4e8425617c9be3c7d35609714a4 [0,2,0,0,0,0|0,0,2]=4 1896 B11R0.30 CC(C)COCCNCC(=O)O 2736a68be015fe4a7aa2e6d508daad87 [0,2,0,0,0,0|1,0,1]=4 1897 B11R0.30 CC(C)COCCOCC(=O)O 102376f215d5dc8e5c76f12781199c9c [0,2,0,0,0,0|1,0,1]=4 1898 B11R0.30 CC(C)CSCCOCC(=O)O ab3c38f511f498706e1b6026c172202e [0,2,0,0,0,0|1,0,1]=4 1899 B11R0.30 CC(C)NCCCCCC(=O)O 0fa6dda8948ff26f06556f714a7766aa [0,2,0,0,0,0|0,0,2]=4 1900 B11R0.30 CC(C)OCCCCCC(=O)O db9a0ab4c678c26853cc6d16db0df97a [0,2,0,0,0,0|0,0,2]=4 1901 B11R0.30 CC(C)OCCCNCC(=O)O e5b05e591aeb2ffb5c6460865f9cd0f4 [0,2,0,0,0,0|1,0,1]=4 1902 B11R0.30 CC(C)OCCCOCC(=O)O 85d4ed8113998f359c0416d09e1a14af [0,2,0,0,0,0|1,0,1]=4 1903 B11R0.30 CC(C)OCNC/C=C/C(=O)O e2d2b5250777cc9e10a235691540455f [0,2,0,0,0,0|1,0,0]=3 1904 B11R0.30 CC(C)OCNCC=CC(=O)O 20b7ba7a2d811825eeeae859d7100287 [0,2,0,0,0,0|1,0,0]=3 1905 B11R0.30 CC(C)OCOC/C=C/C(=O)O f46feed19e566a9439882ebe17e169c3 [0,2,0,0,0,0|1,0,0]=3 1906 B11R0.30 CC(C)OCOCC=CC(=O)O c930fc4688032b2d1ce0e95474c04904 [0,2,0,0,0,0|1,0,0]=3 1907 B11R0.30 CC(C)SCCCNCC(=O)O 152a973e5155d2e34651eb62bc1bf8d7 [0,2,0,0,0,0|1,0,1]=4 1908 B11R0.30 CC(C)SCCCOCC(=O)O 2ba9d8423fa11ac09df26e819a8db90d [0,2,0,0,0,0|1,0,1]=4 1909 B11R0.30 CC(F)COCCOCC(=O)O 3d8b0889f656d1409a140f015546799b [0,2,0,0,0,0|1,0,1]=4 1910 B11R0.30 CC(O)CCCCNCC(=O)O 8ace7019a75bd4e3f2fa1cdb39804ad3 [0,2,0,0,0,0|0,0,2]=4 1911 B11R0.30 CC(O)CCCNCCC(=O)O e545876e5122d6c93c5b82e9664781f0 [0,2,0,0,0,0|0,0,2]=4 1912 B11R0.30 CC(O)CCNC/C=C/C(=O)O ff4039671f1a2fe67eac4568eec990e2 [0,2,0,0,0,0|0,0,0]=2 1913 B11R0.30 CC(O)CCNCC#CC(=O)O 7905fd719dce0bcc9d41ac2a0c3c371c [0,2,0,0,0,0|0,0,2]=4 1914 B11R0.30 CC(O)CCNCC=CC(=O)O 0bbfeaa4f635841b12779c3330dedf0d [0,2,0,0,0,0|0,0,0]=2 1915 B11R0.30 CC(O)CCNCCCC(=O)O 6ee06c85843817aac8d5c523a45d2881 [0,2,0,0,0,0|0,0,2]=4 1916 B11R0.30 CC(O)CNCCCCC(=O)O 0fa47e549b47d5274161f6feb011a766 [0,2,0,0,0,0|0,0,2]=4 1917 B11R0.30 CC(O)CNCCOCC(=O)O 2f3dccd96c7f2ba6d2fec066aebd44b6 [0,2,0,0,0,0|1,0,1]=4 1918 B11R0.30 CC(O)CNCCSCC(=O)O f401c3079724beebfa5102b1bc9f7d31 [0,2,0,0,0,0|1,0,1]=4 1919 B11R0.30 CC(S)COCCOCC(=O)O db8c52608dcfa5a992a428ced315853a [0,2,0,0,0,0|1,0,1]=4 1920 B11R0.30 CN(C)CCCCNCC(=O)O 8855c115c1b33e8ce75a926b90fdf8b8 [0,2,0,0,0,0|1,0,1]=4 1921 B11R0.30 CN(C)CCCCOCC(=O)O d265e1db0b6f83c239ab2b3a4a52c191 [0,2,0,0,0,0|1,0,1]=4 1922 B11R0.30 CN(C)CCNC/C=C/C(=O)O b59e1c48f62d20f8875fe4bc38b44d98 [0,2,0,0,0,0|1,0,0]=3 1923 B11R0.30 CN(C)CCNCC=CC(=O)O b2a4941c0c31339819e3d8f8740b11df [0,2,0,0,0,0|1,0,0]=3 1924 B11R0.30 CN(C)CCOC/C=C/C(=O)O 54a3c968d795fa762ca1d3cd4c05fd00 [0,2,0,0,0,0|1,0,0]=3 1925 B11R0.30 CN(C)CCOCC=CC(=O)O 0818ebda45a3f54e57dc80a6df7bb76e [0,2,0,0,0,0|1,0,0]=3 1926 B11R0.30 CS(=O)CCNC/C=C/C(=O)O 6d1925ee8f84319b7923216f0d088677 [0,2,0,0,0,0|1,0,0]=3 1927 B11R0.30 CS(=O)CCNCC=CC(=O)O e04492d846c7dba262e649e361bd27f3 [0,2,0,0,0,0|1,0,0]=3 1928 B11R0.30 CS(=O)CCOC/C=C/C(=O)O 29b5144ccb5de7d3f3167faaaf9907e9 [0,2,0,0,0,0|1,0,0]=3 1929 B11R0.30 CS(=O)CCOCC=CC(=O)O acf5cbf2669f576b9cb799915dc10d8a [0,2,0,0,0,0|1,0,0]=3 1930 B11R0.30 C[C@@H](F)COCCOCC(=O)O 8a00426e588dde48ba1cda2c83918f23 [0,2,0,0,0,0|1,0,1]=4 1931 B11R0.30 C[C@@H](O)CCCCNCC(=O)O 383e38e7bfaf5340113526b5bf38e00f [0,2,0,0,0,0|0,0,2]=4 1932 B11R0.30 C[C@@H](O)CCNC/C=C/C(=O)O 30b71662652ec825e0d2f410fdd87d6f [0,2,0,0,0,0|0,0,0]=2 1933 B11R0.30 C[C@@H](O)CCNCC=CC(=O)O f360a56877ffb450b663d0814aa189e7 [0,2,0,0,0,0|0,0,0]=2 1934 B11R0.30 C[C@@H](O)CCNCCCC(=O)O 9848f914bbdde66026dc5d82813febcd [0,2,0,0,0,0|0,0,2]=4 1935 B11R0.30 C[C@@H](O)CNCCCCC(=O)O fa7248fda5a7fc7c2d2e7dede51ec1b1 [0,2,0,0,0,0|0,0,2]=4 1936 B11R0.30 C[C@@H](O)CNCCOCC(=O)O 57ab3e0fa31fdc565fe03fe66262ab63 [0,2,0,0,0,0|1,0,1]=4 1937 B11R0.30 C[C@H](F)COCCOCC(=O)O fd18f700d6c0e042bbd8353f5df7307a [0,2,0,0,0,0|1,0,1]=4 1938 B11R0.30 C[C@H](O)CCNC/C=C/C(=O)O cc81c78642631427523d8805454150c6 [0,2,0,0,0,0|0,0,0]=2 1939 B11R0.30 C[C@H](O)CCNCC=CC(=O)O c5701a53f40362cdc009cd75637dd9ff [0,2,0,0,0,0|0,0,0]=2 1940 B11R0.30 C[C@H](O)CCNCCCC(=O)O 0b4d40863c274eac47c210c41da2fdff [0,2,0,0,0,0|0,0,2]=4 1941 B11R0.30 C[C@H](O)CNCCCCC(=O)O 43b960b9894303888fc34352756603c5 [0,2,0,0,0,0|0,0,2]=4 1942 B11R0.30 C[C@H](O)CNCCOCC(=O)O e1f328cb6e5c4e620629ccc246d5e00e [0,2,0,0,0,0|1,0,1]=4 1943 B11R0.30 C[C@H](O)CNCCSCC(=O)O 637be1bdd2dd40c20ae6a4206931d368 [0,2,0,0,0,0|1,0,1]=4 1944 B11R0.30 NC(=O)CCNC/C=C/C(=O)O ca6a1da851424c32eee256e8a1063d71 [0,2,0,0,0,0|1,0,1]=4 1945 B11R0.30 NC(=O)CCNCC=CC(=O)O 1a0ab87c30e2b4b173ce13e2eae3828f [0,2,0,0,0,0|1,0,1]=4 1946 B11R0.30 NC(=O)CCOC/C=C/C(=O)O 7eace3975db0fbfe8ea97e48b1ba0e20 [0,2,0,0,0,0|1,0,1]=4 1947 B11R0.30 NC(=O)CCOCC=CC(=O)O e9835a211e6270aa86dbc5561432ec0a [0,2,0,0,0,0|1,0,1]=4 1948 B11R0.30 NC(=S)CCNC/C=C/C(=O)O a4419ff76c5d86394c49db6694c98193 [0,2,0,0,0,0|1,0,1]=4 1949 B11R0.30 NC(=S)CCNCC=CC(=O)O d546f65d4f425db59443a4f19718d3f6 [0,2,0,0,0,0|1,0,1]=4 1950 B11R0.30 O=C(O)/C=C/CNCCC(=O)O d7b88726473fe450968678a71d6a536d [0,2,0,0,0,0|1,0,1]=4 1951 B11R0.30 O=C(O)/C=C/CNCCC(F)F eaad201ef39c00b053d5857fa2463051 [0,2,0,0,0,0|1,0,0]=3 1952 B11R0.30 O=C(O)/C=C/CNCCS(=O)O f8dbd92840a4a2d0abd146e9d36866c1 [0,2,0,0,0,0|2,0,0]=4 1953 B11R0.30 O=C(O)/C=C/COCCC(=O)O 5fea27ee94860ec4de1691b9cb91b88e [0,2,0,0,0,0|1,0,1]=4 1954 B11R0.30 O=C(O)/C=C/COCCC(F)F 2ef514b32914797f21dd596bd6653500 [0,2,0,0,0,0|1,0,0]=3 1955 B11R0.30 O=C(O)/C=C/COCC[N+](=O)[O-] db6ac86a7bb6aaa6e9c8e0fb86d36c9f [0,2,0,0,0,0|2,0,0]=4 1956 B11R0.30 O=C(O)C=CCNCCC(=O)O 2a63b0fe2b56dead4b51feed46af3d0d [0,2,0,0,0,0|1,0,1]=4 1957 B11R0.30 O=C(O)C=CCNCCC(F)F faed1578dfe4c42e323ce032db53aa42 [0,2,0,0,0,0|1,0,0]=3 1958 B11R0.30 O=C(O)C=CCNCCS(=O)O 00e7e6bdd1138f4ae956204b3396e9dc [0,2,0,0,0,0|2,0,0]=4 1959 B11R0.30 O=C(O)C=CCOCCC(=O)O b208670f6d22c4a949a1ea1a0be1ced4 [0,2,0,0,0,0|1,0,1]=4 1960 B11R0.30 O=C(O)C=CCOCCC(F)F cb71f00d4b093e938498ff4cdffeb005 [0,2,0,0,0,0|1,0,0]=3 1961 B11R0.30 O=C(O)C=CCOCC[N+](=O)[O-] 96b89a1fa629b49a0933155bb97abb40 [0,2,0,0,0,0|2,0,0]=4 1962 B11R0.30 O=C(O)CNCCCCC(F)F 7f071f6e392c7aeaadb036754b526099 [0,2,0,0,0,0|1,0,1]=4 1963 B11R0.40 C#CCCNC/C=C/C(=O)OC 16684b3dcfe66c2cbcb5f3d1012c4197 [0,2,0,0,0,0|0,0,2]=4 1964 B11R0.40 C#CCCNC/C=C\C(=O)OC 30f96a8d18294497f169ee8a83ceee91 [0,2,0,0,0,0|0,0,2]=4 1965 B11R0.40 C#CCCNCC=CC(=O)OC 0ddf4f714f8de76d73145b1703357267 [0,2,0,0,0,0|0,0,2]=4 1966 B11R0.40 C#CCCOC/C=C/C(=O)OC 7667be6eb5a67588075f3998d84722a3 [0,2,0,0,0,0|0,0,2]=4 1967 B11R0.40 C#CCCOC/C=C\C(=O)OC 38bc9f0f7e379b899a82a836e8d1fd95 [0,2,0,0,0,0|0,0,2]=4 1968 B11R0.40 C#CCCOCC=CC(=O)OC 7d5a248ade2dba6718a697516ec1416d [0,2,0,0,0,0|0,0,2]=4 1969 B11R0.40 C/C=C/COC/C=C/C(=O)OC 587d529cd6a766219aac008a58e5dfd7 [0,2,0,0,0,0|0,0,2]=4 1970 B11R0.40 C/C=C/COC/C=C\C(=O)OC c9e868668bba4687d78f68f1ba73927e [0,2,0,0,0,0|0,0,2]=4 1971 B11R0.40 C/C=C/COCC=CC(=O)OC 5a40bb05d9a4d1517413c0a1a748bd9a [0,2,0,0,0,0|0,0,2]=4 1972 B11R0.40 C/C=C\COC/C=C/C(=O)OC abb564b33636289055b7d231261873a9 [0,2,0,0,0,0|0,0,2]=4 1973 B11R0.40 C/C=C\COC/C=C\C(=O)OC e30103ef20ac734d0a5f8f880745b841 [0,2,0,0,0,0|0,0,2]=4 1974 B11R0.40 C/C=C\COCC=CC(=O)OC 4cce204fa0b5f0d36a0728c4999b9128 [0,2,0,0,0,0|0,0,2]=4 1975 B11R0.40 C=CCCNC/C=C/C(=O)OC 0b8a08438b64db0faebcc6de6b3fc109 [0,2,0,0,0,0|0,0,2]=4 1976 B11R0.40 C=CCCNC/C=C\C(=O)OC 16c06ebffce4736f579b8723455d2ff5 [0,2,0,0,0,0|0,0,2]=4 1977 B11R0.40 C=CCCNCC=CC(=O)OC 97a252b8ce82d64dca6cdaf6e86561eb [0,2,0,0,0,0|0,0,2]=4 1978 B11R0.40 C=CCCOC/C=C/C(=O)OC 2b83dc5f26b833e7b788bec7a725a585 [0,2,0,0,0,0|0,0,2]=4 1979 B11R0.40 C=CCCOC/C=C\C(=O)OC 0f14d58da76637ab9bc684b5e86ff7ab [0,2,0,0,0,0|0,0,2]=4 1980 B11R0.40 C=CCCOCC=CC(=O)OC 68889f6465dff0a1a25ab3734d8c37a5 [0,2,0,0,0,0|0,0,2]=4 1981 B11R0.40 CC#CCNC/C=C/C(=O)OC 0e3fd995826c7e5fa2cd48caabc00933 [0,2,0,0,0,0|0,0,2]=4 1982 B11R0.40 CC#CCNC/C=C\C(=O)OC 6046a00f0febece50d52a45a1a4bc8c8 [0,2,0,0,0,0|0,0,2]=4 1983 B11R0.40 CC#CCNCC=CC(=O)OC 78ded4658ee61b8ed4b02dccb82efec0 [0,2,0,0,0,0|0,0,2]=4 1984 B11R0.40 CC#CCOC/C=C/C(=O)OC 3e2669798038dfaf23d4ea0ad99f2e37 [0,2,0,0,0,0|0,0,2]=4 1985 B11R0.40 CC#CCOC/C=C\C(=O)OC 6774e518ad95e19113dbc3baf098f17d [0,2,0,0,0,0|0,0,2]=4 1986 B11R0.40 CC#CCOCC=CC(=O)OC e37fdd2a3ed16782607f3aed213faa9e [0,2,0,0,0,0|0,0,2]=4 1987 B11R0.40 CC=CCNC/C=C/C(=O)OC d7a70f23e634521f2b9d3c05b352dc8d [0,2,0,0,0,0|0,0,2]=4 1988 B11R0.40 CC=CCNC/C=C\C(=O)OC 90ba92bb52561ceeb3d6aeb8c4c4cebb [0,2,0,0,0,0|0,0,2]=4 1989 B11R0.40 CC=CCNCC=CC(=O)OC 7ecd909e94974ad41e904fe066e4cebe [0,2,0,0,0,0|0,0,2]=4 1990 B11R0.40 CC=CCOC/C=C/C(=O)OC 3c614e0adc8e48ea38552fed697e524b [0,2,0,0,0,0|0,0,2]=4 1991 B11R0.40 CC=CCOC/C=C\C(=O)OC b15df967e0f413bb2370105a76eb1394 [0,2,0,0,0,0|0,0,2]=4 1992 B11R0.40 CC=CCOCC=CC(=O)OC 50aad5d2ca49355e176f1b7cb4d95b6c [0,2,0,0,0,0|0,0,2]=4 1993 B11R0.40 CCCCCCCNC(=O)CO 649c57dfd5f4fa0f4565341b8aa151e7 [0,2,0,0,0,0|0,0,2]=4 1994 B11R0.40 CCCCCCNCC(=O)CO 22481f5647b4924598aea5bd39f61ac5 [0,2,0,0,0,0|0,0,2]=4 1995 B11R0.40 CCCCCCNCC(=O)NO 70ed1d49a75a058f80d6cb8d6355c00e [0,2,0,0,0,0|0,0,2]=4 1996 B11R0.40 CCCCCCNCC(=O)OC b4b64d05ad9791105a1ead038a87d73e [0,2,0,0,0,0|0,0,2]=4 1997 B11R0.40 CCCCCCOCC(=O)OC 09bff5c54ea2c2317e4ffa1248f416e4 [0,2,0,0,0,0|0,0,2]=4 1998 B11R0.40 CCCCCNCCC(=O)NO 0e3cd417c385fa2267d618895d9f197e [0,2,0,0,0,0|0,0,2]=4 1999 B11R0.40 CCCCCNCCC(=O)OC 528d03f621767c5da7a29df90a9b38b7 [0,2,0,0,0,0|0,0,2]=4 2000 B11R0.40 CCCCCNCOC(=O)OC 1a984734eabc63cd259d87fe0f6d0e3a [0,2,0,0,0,0|1,0,1]=4 2001 B11R0.40 CCCCCOCCC(=O)OC ccac832df9f8c79f4c2f2e191d935c4d [0,2,0,0,0,0|0,0,2]=4 2002 B11R0.40 CCCCCOCOC(=O)OC 8437c1266fb81e44453bd4eda59a8fa6 [0,2,0,0,0,0|1,0,1]=4 2003 B11R0.40 CCCCNC/C=C/C(=O)OC b3a514a731f1acedd7ecc6400b164781 [0,2,0,0,0,0|0,0,0]=2 2004 B11R0.40 CCCCNC/C=C\C(=O)OC 471ceb065340c9365beed3e9d2ebfa53 [0,2,0,0,0,0|0,0,0]=2 2005 B11R0.40 CCCCNCC#CC(=O)OC b07dee74ff9f27fc053920faab56536a [0,2,0,0,0,0|0,0,2]=4 2006 B11R0.40 CCCCNCC=CC(=O)OC 0d0826bdd8498869565a4f15cf2066f6 [0,2,0,0,0,0|0,0,0]=2 2007 B11R0.40 CCCCNCCCC(=O)OC af4a3bbabc42a3dd3e1785630a7ed514 [0,2,0,0,0,0|0,0,2]=4 2008 B11R0.40 CCCCOC/C=C/C(=O)OC 2578e2b41359b1205a52e699296f8f5d [0,2,0,0,0,0|0,0,0]=2 2009 B11R0.40 CCCCOC/C=C\C(=O)OC a4231358b1b34ec0f8a3eeab7233249a [0,2,0,0,0,0|0,0,0]=2 2010 B11R0.40 CCCCOCC#CC(=O)OC 8934e7b25dfb48eb96b5a4ca53d2fd91 [0,2,0,0,0,0|0,0,2]=4 2011 B11R0.40 CCCCOCC=CC(=O)OC ae9d980bde0206669ae07f1e0557de43 [0,2,0,0,0,0|0,0,0]=2 2012 B11R0.40 CCCCOCCCC(=O)OC 2c00c25d55f4aed289459825ca6caf67 [0,2,0,0,0,0|0,0,2]=4 2013 B11R0.40 CCCCOCCNC(=O)CO 46d63bbe6e95cb3021fbf39dbedf64e4 [0,2,0,0,0,0|1,0,1]=4 2014 B11R0.40 CCCCOCCOC(=O)OC b231bf275b01e991c727c5357c04f648 [0,2,0,0,0,0|1,0,1]=4 2015 B11R0.40 CCCCOCNCC(=O)NO 09ac782899b5e5b3655f86eea50aeb0c [0,2,0,0,0,0|1,0,1]=4 2016 B11R0.40 CCCCOCNCC(=O)OC 730d997397b70287e85ae8c4a8daeadc [0,2,0,0,0,0|1,0,1]=4 2017 B11R0.40 CCCCOCOCC(=O)OC 946e25ac7c12d92c76f185574d681691 [0,2,0,0,0,0|1,0,1]=4 2018 B11R0.40 CCCNCCCCC(=O)OC 060557c49fc8b2682bce09dcecd26897 [0,2,0,0,0,0|0,0,2]=4 2019 B11R0.40 CCCNCCOCC(=O)OC 7d542560aee618cccb8ce15c1eff67f0 [0,2,0,0,0,0|1,0,1]=4 2020 B11R0.40 CCCOCCCCC(=O)OC c38c96dc4e6815105987ed08074c5cd5 [0,2,0,0,0,0|0,0,2]=4 2021 B11R0.40 CCCOCCCNC(=O)CO a47934e78a1d20ef948dc30f597ef7f9 [0,2,0,0,0,0|1,0,1]=4 2022 B11R0.40 CCCOCCNCC(=O)CO 47b079dfc4b06824587236598da16550 [0,2,0,0,0,0|1,0,1]=4 2023 B11R0.40 CCCOCCNCC(=O)NO d792239503bd5ec0bb9e8a7cfbfc479f [0,2,0,0,0,0|1,0,1]=4 2024 B11R0.40 CCCOCCNCC(=O)OC dc4681ef40747337e3903e762819be10 [0,2,0,0,0,0|1,0,1]=4 2025 B11R0.40 CCCOCCOCC(=O)OC 64aebb87f3244a9d7b7f06c29592a387 [0,2,0,0,0,0|1,0,1]=4 2026 B11R0.40 CCCSCCOCC(=O)OC bfd9150e07503b75f145ebf21333d513 [0,2,0,0,0,0|1,0,1]=4 2027 B11R0.40 CCNCCCCCC(=O)OC 78bd529289af6b285c7f270dc69f9cc3 [0,2,0,0,0,0|0,0,2]=4 2028 B11R0.40 CCOCCCCCC(=O)OC 9b80041f3611c56f4bedd2a18eade3b1 [0,2,0,0,0,0|0,0,2]=4 2029 B11R0.40 CCOCCCNCC(=O)CO 38c5656cb2b027b7ffdf35a630aad082 [0,2,0,0,0,0|1,0,1]=4 2030 B11R0.40 CCOCCCNCC(=O)NO 51be6bc87a2f7ff8eb05461ef8175c26 [0,2,0,0,0,0|1,0,1]=4 2031 B11R0.40 CCOCCCNCC(=O)OC c7485a37569a461c52aa81ad8055e3b4 [0,2,0,0,0,0|1,0,1]=4 2032 B11R0.40 CCOCCCOCC(=O)OC 57dddf421e069c47297be6f52caa57fc [0,2,0,0,0,0|1,0,1]=4 2033 B11R0.40 CCOCOC/C=C/C(=O)OC e4cc36343f90e4a61dcf5e1719d24380 [0,2,0,0,0,0|1,0,0]=3 2034 B11R0.40 CCSCCCCNC(=O)CO 3d767f9c997321d233814d207e1ee524 [0,2,0,0,0,0|1,0,1]=4 2035 B11R0.40 CCSCCCNCC(=O)NO 8d518ac43899a5c80d0e06dd1ac77e47 [0,2,0,0,0,0|1,0,1]=4 2036 B11R0.40 CCSCCCNCC(=O)OC d693d460276bdecc5b8f625d27e28722 [0,2,0,0,0,0|1,0,1]=4 2037 B11R0.40 CCSCCCOCC(=O)OC 3e5dce16e86bb76e36032bc19e30b6c4 [0,2,0,0,0,0|1,0,1]=4 2038 B11R0.40 COC(=O)/C=C/CNCCC#N c93abe84e6499e9da2438934b83647d8 [0,2,0,0,0,0|1,0,1]=4 2039 B11R0.40 COC(=O)/C=C/CNCCCCl 31d29c9cf32854db69adb74e9398c6e0 [0,2,0,0,0,0|1,0,0]=3 2040 B11R0.40 COC(=O)/C=C/CNCCCO 3086293ec3ba001d5228a6041b89b656 [0,2,0,0,0,0|1,0,0]=3 2041 B11R0.40 COC(=O)/C=C/CNCCON 932c2d56119e4debd33a93ab03c9ebfc [0,2,0,0,0,0|2,0,0]=4 2042 B11R0.40 COC(=O)/C=C/CNCCSC 94dc336038796b036e662bb139bf3b97 [0,2,0,0,0,0|1,0,0]=3 2043 B11R0.40 COC(=O)/C=C/COCCC#N 9352499cdf19db68ffc8746220dd0e9f [0,2,0,0,0,0|1,0,1]=4 2044 B11R0.40 COC(=O)/C=C/COCCC=O 02f0af8798a12c3212e06f6ba4aad93b [0,2,0,0,0,0|1,0,1]=4 2045 B11R0.40 COC(=O)/C=C/COCCCF a622ef36946041ca8ed3593aeb8a6fcc [0,2,0,0,0,0|1,0,0]=3 2046 B11R0.40 COC(=O)/C=C/COCCCS 197ddce6d82e7e120500b3f7cfb49d51 [0,2,0,0,0,0|1,0,0]=3 2047 B11R0.40 COC(=O)/C=C/COCCSC b726e97dd21fedc8d6704fd688e2e723 [0,2,0,0,0,0|1,0,0]=3 2048 B11R0.40 COC(=O)/C=C\CNCCC#N f3e771a8cf4de70fd8f16dfd213ea124 [0,2,0,0,0,0|1,0,1]=4 2049 B11R0.40 COC(=O)/C=C\CNCCCCl 8e5d9577fb6cdb58469207cb0aa354fe [0,2,0,0,0,0|1,0,0]=3 2050 B11R0.40 COC(=O)/C=C\CNCCCO e3b7987e1c3f50a09620f9837cb4dae6 [0,2,0,0,0,0|1,0,0]=3 2051 B11R0.40 COC(=O)/C=C\CNCCON 837abe90fc59c391e7eb2a50259f2562 [0,2,0,0,0,0|2,0,0]=4 2052 B11R0.40 COC(=O)/C=C\CNCCSC 0da40c460d9c78f0daa19f19fb1d079a [0,2,0,0,0,0|1,0,0]=3 2053 B11R0.40 COC(=O)/C=C\COCCC#N 68e53ce8e6edf95a09abb16d09d32bdf [0,2,0,0,0,0|1,0,1]=4 2054 B11R0.40 COC(=O)/C=C\COCCC=O dcd90198649ccb432562bf4802aed449 [0,2,0,0,0,0|1,0,1]=4 2055 B11R0.40 COC(=O)/C=C\COCCCF d50881f283c439885800539722c8f680 [0,2,0,0,0,0|1,0,0]=3 2056 B11R0.40 COC(=O)/C=C\COCCCS 773b01df776a39eef1df34d41bd8f3e0 [0,2,0,0,0,0|1,0,0]=3 2057 B11R0.40 COC(=O)/C=C\COCCSC 2f433c3689b5d29ca1e4e77960bfcef0 [0,2,0,0,0,0|1,0,0]=3 2058 B11R0.40 COC(=O)C=CCNCCC#N 37031aa275ba383c18e34fe5c6589971 [0,2,0,0,0,0|1,0,1]=4 2059 B11R0.40 COC(=O)C=CCNCCCCl 6ce630bc119dac44a8a54c05960b10cf [0,2,0,0,0,0|1,0,0]=3 2060 B11R0.40 COC(=O)C=CCNCCCO 8790e6d4575f3ac148bb52bd18349a88 [0,2,0,0,0,0|1,0,0]=3 2061 B11R0.40 COC(=O)C=CCNCCON 19f644bab50d663c116b69a652a524ab [0,2,0,0,0,0|2,0,0]=4 2062 B11R0.40 COC(=O)C=CCNCCSC 25007d804cda642b798a703773bb8aaf [0,2,0,0,0,0|1,0,0]=3 2063 B11R0.40 COC(=O)C=CCOCCC#N e4fb9704b7de7d147ee9a5d1b43232b5 [0,2,0,0,0,0|1,0,1]=4 2064 B11R0.40 COC(=O)C=CCOCCC=O c5304e184d722b549a9381c043766ec5 [0,2,0,0,0,0|1,0,1]=4 2065 B11R0.40 COC(=O)C=CCOCCCF 286d146ffa5f200f251f77c80fc97c03 [0,2,0,0,0,0|1,0,0]=3 2066 B11R0.40 COC(=O)C=CCOCCCS 756cc3caaee3807c3f46472f02b3489c [0,2,0,0,0,0|1,0,0]=3 2067 B11R0.40 COC(=O)C=CCOCCSC 6a98899d57cefe83952824ad42a9f633 [0,2,0,0,0,0|1,0,0]=3 2068 B11R0.40 COC(=O)CNCCCCCCl 0c1d69aaf18f86e286dc851d6b343161 [0,2,0,0,0,0|1,0,1]=4 2069 B11R0.40 COC(=O)CNCCCCCF 820ed3e8b866d3514f6760b96b1f6d43 [0,2,0,0,0,0|1,0,1]=4 2070 B11R0.40 COC(=O)CNCCCCCO 5569fb90468880f109cc36d64e9a9a82 [0,2,0,0,0,0|1,0,1]=4 2071 B11R0.40 COC(=O)CNCCCCSC b2c17859876c00fe792d17efa257daec [0,2,0,0,0,0|1,0,1]=4 2072 B11R0.40 COC(=O)COCCCCCF cba36326a78ca1f965959e137fb7ac72 [0,2,0,0,0,0|1,0,1]=4 2073 B11R0.40 COC(=O)COCCCCSC 447c9e188b6f6e43d32a8bc9d652b2ad [0,2,0,0,0,0|1,0,1]=4 2074 B11R0.40 COCCCCCNC(=O)CO 60d8072e5d6484d79910c980a11ba8d6 [0,2,0,0,0,0|1,0,1]=4 2075 B11R0.40 COCCCCNCC(=O)CO 31d44522c7c4c00441905fa4da232bdc [0,2,0,0,0,0|1,0,1]=4 2076 B11R0.40 COCCCCNCC(=O)NO fd2162f73e9d0d4e3a5103bac2a81c2b [0,2,0,0,0,0|1,0,1]=4 2077 B11R0.40 COCCCCNCC(=O)OC 047baeb57289bf0885885f64979f4866 [0,2,0,0,0,0|1,0,1]=4 2078 B11R0.40 COCCCCOCC(=O)OC 931b9f10ba823e1596417b22b927de75 [0,2,0,0,0,0|1,0,1]=4 2079 B11R0.40 COCCNC/C=C/C(=O)OC 6d1ac0fd530d9a5fe6d0b4126cf622b9 [0,2,0,0,0,0|1,0,0]=3 2080 B11R0.40 COCCNC/C=C\C(=O)OC 80e62c5eb08d38a0ed1c91d32c2b40d1 [0,2,0,0,0,0|1,0,0]=3 2081 B11R0.40 COCCNCC=CC(=O)OC 703dcb542a725c8788a503f9b02f6e25 [0,2,0,0,0,0|1,0,0]=3 2082 B11R0.40 COCCOC/C=C/C(=O)OC 7700f5ad955e245cab5533a2256db2bb [0,2,0,0,0,0|1,0,0]=3 2083 B11R0.40 COCCOC/C=C\C(=O)OC fe61f0871283c13ff7568ff5e501e76e [0,2,0,0,0,0|1,0,0]=3 2084 B11R0.40 COCCOCC=CC(=O)OC d4c282d2521862001977ced1a31b3a9a [0,2,0,0,0,0|1,0,0]=3 2085 B11R0.40 CSCCCCNCC(=O)CO f2fd79f1ccfc8ac07d50685faaa51616 [0,2,0,0,0,0|1,0,1]=4 2086 B11R0.40 O=C(CNCCCCCF)NO bb2e68b122e81136ef69349e61ee5e9c [0,2,0,0,0,0|1,0,1]=4 2087 B11R0.40 O=C(CNCCCCCO)NO 147cd889eb10e26d74dc067964e2b2a2 [0,2,0,0,0,0|1,0,1]=4 2088 B11R0.40 O=C(CO)CNCCCCCCl 606a142a4758e981892716dfd004ff3b [0,2,0,0,0,0|1,0,1]=4 2089 B11R0.40 O=C(CO)CNCCCCCO dd2db0edcecc3767d3c9d40443d3d1ae [0,2,0,0,0,0|1,0,1]=4 2090 B11R0.40 O=C(CO)NCCCCCCCl dbfc21936551b9a9fe635f023097f8d4 [0,2,0,0,0,0|1,0,1]=4 2091 B11R0.40 O=C(CO)NCCCCCCO 7bfceec3914389840f05d685c72f8368 [0,2,0,0,0,0|1,0,1]=4 2092 B11R0.42 C=C(CNCCCCC)C(=O)O 3961ad8178fe871479ff4ea92189d193 [0,2,0,0,0,0|0,0,1]=3 2093 B11R0.42 C=C(CNCCCCCl)C(=O)O a0fbb3df1753bde75d99a758d2b5e921 [0,2,0,0,0,0|1,0,1]=4 2094 B11R0.42 C=C(CNCCCCO)C(=O)O ff03823dcd1dee049260f962b5edfdac [0,2,0,0,0,0|1,0,1]=4 2095 B11R0.42 C=C(CNCCCCS)C(=O)O c507696c92cb2e14c58d95ac510225f6 [0,2,0,0,0,0|1,0,1]=4 2096 B11R0.42 C=C(CNCCCOC)C(=O)O 3f176f8e7bfeba9dc7455f8c5fad0b5f [0,2,0,0,0,0|1,0,1]=4 2097 B11R0.42 C=C(CNCCCSC)C(=O)O 33a51d0398e84f2a6b6ff1922f521fa4 [0,2,0,0,0,0|1,0,1]=4 2098 B11R0.42 C=C(CNCCOCC)C(=O)O 653ec02d053197d0f6a6136e38f24442 [0,2,0,0,0,0|1,0,1]=4 2099 B11R0.42 C=C(CNCCSCC)C(=O)O 427e79f967d059bbd6cc31dcd363625d [0,2,0,0,0,0|1,0,1]=4 2100 B11R0.42 C=C(COCCCCC)C(=O)O b11d9270348f2e3567924ca4886b501a [0,2,0,0,0,0|0,0,1]=3 2101 B11R0.42 C=C(COCCCCF)C(=O)O 18a39310a52a27faf25d0ba683c375e7 [0,2,0,0,0,0|1,0,1]=4 2102 B11R0.42 C=C(COCCCCS)C(=O)O 018da2f592a3515a50b3c9b562cd35f7 [0,2,0,0,0,0|1,0,1]=4 2103 B11R0.42 C=C(COCCCOC)C(=O)O 523630dee9a15e88040efc4f9c7fd4f2 [0,2,0,0,0,0|1,0,1]=4 2104 B11R0.42 C=C(COCCCSC)C(=O)O b751c9d9c86b90cca93abab2a104c892 [0,2,0,0,0,0|1,0,1]=4 2105 B11R0.42 C=C(COCCOCC)C(=O)O 4cc9585ba57a55a790c6c9c600569285 [0,2,0,0,0,0|1,0,1]=4 2106 B11R0.42 C=C(COCCSCC)C(=O)O 24506ed05522ebbaaaec137b2a6f314a [0,2,0,0,0,0|1,0,1]=4 2107 B11R0.42 CC(=O)C(=O)NCCCCCCl fddc07f285051e2dd59816de6471855e [0,2,0,0,0,0|2,0,0]=4 2108 B11R0.42 CC(=O)C(=O)NCCCCCO 28e907c50b388737fc62d14cbaaf3e94 [0,2,0,0,0,0|2,0,0]=4 2109 B11R0.42 CC(NCCCCCCl)C(=O)O 367ae711b8cbab97d33b7930fa5b93a4 [0,2,0,0,0,0|1,0,1]=4 2110 B11R0.42 CC(NCCCCCF)C(=O)O 61170dc10b3ff42752f4221c6fa290bf [0,2,0,0,0,0|1,0,1]=4 2111 B11R0.42 CC(NCCCCCO)C(=O)O fc4381ef531faf41d073a6c02bce2035 [0,2,0,0,0,0|1,0,1]=4 2112 B11R0.42 CC(OCCCCCF)C(=O)O 635dad89702c82dc68f6fea8c076366e [0,2,0,0,0,0|1,0,1]=4 2113 B11R0.42 CCCCCCNC(=O)C(=O)C b07a5b70d65808d226682db1c7b04c9b [0,2,0,0,0,0|1,0,1]=4 2114 B11R0.42 CCCCCCNC(=O)C(=O)N 5dbc13ca445f208f9832b31601bd8cbd [0,2,0,0,0,0|1,0,1]=4 2115 B11R0.42 CCCCCCNC(=O)C(C)O c9999e663477499f337d15f0fc5dc538 [0,2,0,0,0,0|1,0,1]=4 2116 B11R0.42 CCCCCCNC(=O)C(O)O 9ed4e0abdb5f2ef4dbe161c87403fec9 [0,2,0,0,0,0|1,0,1]=4 2117 B11R0.42 CCCCCCNC(=O)[C@@H](C)O ba2fa53987cf1c1dd463ca418a499b6b [0,2,0,0,0,0|1,0,1]=4 2118 B11R0.42 CCCCCCNC(=O)[C@H](C)O 74171bc3104db1cb9ab901270291150d [0,2,0,0,0,0|1,0,1]=4 2119 B11R0.42 CCCCCCNC(C)C(=O)O 50bfa12bfc8c95b1997dd92553c2e32b [0,2,0,0,0,0|0,0,2]=4 2120 B11R0.42 CCCCCCNC(O)C(=O)O d5631789bd7704646a19262486df8915 [0,2,0,0,0,0|0,0,2]=4 2121 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 395de785801e54e5b92d8ae30cfb56de [0,2,0,0,0,0|0,0,2]=4 2122 B11R0.42 CCCCCCN[C@H](C)C(=O)O 49da1238680c9629cec61a676283fa13 [0,2,0,0,0,0|0,0,2]=4 2123 B11R0.42 CCCCCCOC(C)C(=O)O ba21e8aa3b32a1583572a63691edc513 [0,2,0,0,0,0|0,0,2]=4 2124 B11R0.42 CCCCCCOC(F)C(=O)O 6513d7d3184867dd4d6531ac1435f34c [0,2,0,0,0,0|0,0,2]=4 2125 B11R0.42 CCCCCCO[C@@H](C)C(=O)O 71ae583b09335f51d5b93320f22a9636 [0,2,0,0,0,0|0,0,2]=4 2126 B11R0.42 CCCCCCO[C@@H](F)C(=O)O bc9bab01eee21fa811102268d0d068e6 [0,2,0,0,0,0|0,0,2]=4 2127 B11R0.42 CCCCCCO[C@H](C)C(=O)O 30eec93387a99e6543ce01b336b219ad [0,2,0,0,0,0|0,0,2]=4 2128 B11R0.42 CCCCCNCC(=O)C(=O)C 3fd0f918504fc1b0d0ce1bf4d6ea827b [0,2,0,0,0,0|1,0,1]=4 2129 B11R0.42 CCCCCNCC(=O)C(=O)O 334ba3ab0d0b0c071ce9583c7fda34fb [0,2,0,0,0,0|0,0,1]=3 2130 B11R0.42 CCCCCNCC(C)C(=O)O d7ab8a865b04f3ca26ed1bb56f29829b [0,2,0,0,0,0|0,0,2]=4 2131 B11R0.42 CCCCCNCC(F)C(=O)O 6dd9378b212fed9498da6f1ac0af33ab [0,2,0,0,0,0|0,0,2]=4 2132 B11R0.42 CCCCCNCC(O)C(=O)O 4e5cb041e0083e3d17fdc334715c0c74 [0,2,0,0,0,0|0,0,2]=4 2133 B11R0.42 CCCCCNC[C@@H](C)C(=O)O 3e8b2dbf5e151483377f52c4aa7ca0f3 [0,2,0,0,0,0|0,0,2]=4 2134 B11R0.42 CCCCCNC[C@@H](O)C(=O)O 7c3f58b6f5b64e5c04dcd3ba9159f99b [0,2,0,0,0,0|0,0,2]=4 2135 B11R0.42 CCCCCNC[C@H](C)C(=O)O 906bee280cec00a604dd42f884ea0431 [0,2,0,0,0,0|0,0,2]=4 2136 B11R0.42 CCCCCNC[C@H](O)C(=O)O 116e84833776cfa4df322a97659aa73d [0,2,0,0,0,0|0,0,2]=4 2137 B11R0.42 CCCCCOCC(=O)C(=O)C ab756c609cd1243433b3bef61119a1b5 [0,2,0,0,0,0|1,0,1]=4 2138 B11R0.42 CCCCCOCC(C)C(=O)O abdc6858bb4bef1d08a29ea26aabc6cc [0,2,0,0,0,0|0,0,2]=4 2139 B11R0.42 CCCCCOC[C@@H](C)C(=O)O c0e8d04b997b71c90836c735580fb74d [0,2,0,0,0,0|0,0,2]=4 2140 B11R0.42 CCCCCOC[C@H](C)C(=O)O e68c2b0f49fdf9ce2ac4956f8f5292fa [0,2,0,0,0,0|0,0,2]=4 2141 B11R0.42 CCCCNCCC(F)C(=O)O 8e9109fc2b84600842974fef2be5abe0 [0,2,0,0,0,0|0,0,2]=4 2142 B11R0.42 CCCCNCCC(O)C(=O)O c62833d2767c42162c05c00866c68c67 [0,2,0,0,0,0|0,0,2]=4 2143 B11R0.42 CCCCNCC[C@H](O)C(=O)O b87f453e24319785102f4b7103d302e5 [0,2,0,0,0,0|0,0,2]=4 2144 B11R0.42 CCCCOCNC(C)C(=O)O dd1c2e6b40df25128237554fe8a11a20 [0,2,0,0,0,0|1,0,1]=4 2145 B11R0.42 CCCCOCNC(O)C(=O)O bec0f288a99288fca8c501ef5a2b1ecb [0,2,0,0,0,0|1,0,1]=4 2146 B11R0.42 CCCCOCN[C@@H](C)C(=O)O f4b674403ef12311704563aca14336c6 [0,2,0,0,0,0|1,0,1]=4 2147 B11R0.42 CCCCOCN[C@H](C)C(=O)O 9a1a825256efd252e655519ec5ea28b4 [0,2,0,0,0,0|1,0,1]=4 2148 B11R0.42 CCCCOCOC(C)C(=O)O e00b5dbfb824b82703cb60cbf59eb726 [0,2,0,0,0,0|1,0,1]=4 2149 B11R0.42 CCCCOCO[C@@H](C)C(=O)O 36e4ac67205a23dc06dda7aca96777f3 [0,2,0,0,0,0|1,0,1]=4 2150 B11R0.42 CCCCOCO[C@H](C)C(=O)O 713cbe85378d7893134abd0784f2e7dc [0,2,0,0,0,0|1,0,1]=4 2151 B11R0.42 CCCNC/C=C/C(=O)N(C)C cbf71c54e374c3988d114815d6c6a89c [0,2,0,0,0,0|2,0,0]=4 2152 B11R0.42 CCCNCCCC(C)C(=O)O 9a4c115d144a60b49341a6de4b76f6c9 [0,2,0,0,0,0|0,0,2]=4 2153 B11R0.42 CCCOC/C=C/C(=O)N(C)C b82f5f2ee2daf0ff9226f6a42578cd1e [0,2,0,0,0,0|2,0,0]=4 2154 B11R0.42 CCCOCCCC(C)C(=O)O 01585b70a1b61ec5a4fd8b0afc139c7c [0,2,0,0,0,0|0,0,2]=4 2155 B11R0.42 CCCOCCNC(=O)C(=O)C ad0cbc05777cd31baa3bb05ba09cc6bc [0,2,0,0,0,0|2,0,0]=4 2156 B11R0.42 CCCOCCNC(=O)C(=O)N 5dabb4ad2a39ea5097fd2ef1ee60dfe9 [0,2,0,0,0,0|2,0,0]=4 2157 B11R0.42 CCCOCCNC(C)C(=O)O 8812f31379f9e7713bf49bab75a3cdc1 [0,2,0,0,0,0|1,0,1]=4 2158 B11R0.42 CCCOCCNC(O)C(=O)O 8209e23fd595be82eccb124a5adcf510 [0,2,0,0,0,0|1,0,1]=4 2159 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 619acb0b7fdaaea81f4f2b00805a6730 [0,2,0,0,0,0|1,0,1]=4 2160 B11R0.42 CCCOCCN[C@H](C)C(=O)O 563d0e1cf61c96322f7998d3bfe3525b [0,2,0,0,0,0|1,0,1]=4 2161 B11R0.42 CCCOCCOC(C)C(=O)O 27bd20e7861823124435e8f3d7e47b08 [0,2,0,0,0,0|1,0,1]=4 2162 B11R0.42 CCCOCCOC(F)C(=O)O be48e54337242fe90dc153c8aacefc14 [0,2,0,0,0,0|1,0,1]=4 2163 B11R0.42 CCCOCCO[C@@H](C)C(=O)O 99ee572159415168f9c8b34f3d253eb5 [0,2,0,0,0,0|1,0,1]=4 2164 B11R0.42 CCCOCCO[C@@H](F)C(=O)O fab335d12596d3988a79cad82fc09bf8 [0,2,0,0,0,0|1,0,1]=4 2165 B11R0.42 CCCOCCO[C@H](C)C(=O)O 893bde31e15274035e8abc0064c8eca5 [0,2,0,0,0,0|1,0,1]=4 2166 B11R0.42 CCOCCCNC(=O)C(=O)C c367a9826dd47a9dc7da2eb60617c78e [0,2,0,0,0,0|2,0,0]=4 2167 B11R0.42 CCOCCCNC(=O)C(=O)N aa0fc5dc78d9861d23d7050cb66d6f6b [0,2,0,0,0,0|2,0,0]=4 2168 B11R0.42 CCOCCCNC(C)C(=O)O ea437b1016955596decb70b0fa5de4ac [0,2,0,0,0,0|1,0,1]=4 2169 B11R0.42 CCOCCCNC(O)C(=O)O 786cb6f46da4ccb5b109f3a51cacf1ac [0,2,0,0,0,0|1,0,1]=4 2170 B11R0.42 CCOCCCN[C@@H](C)C(=O)O c46c84723da8cbb70e28953dd8be3ec1 [0,2,0,0,0,0|1,0,1]=4 2171 B11R0.42 CCOCCCN[C@H](C)C(=O)O c1ac2c4495025aeaf95b84ff555a7f44 [0,2,0,0,0,0|1,0,1]=4 2172 B11R0.42 CCOCCCOC(C)C(=O)O d8f78446814d8dfe036a987f6428917f [0,2,0,0,0,0|1,0,1]=4 2173 B11R0.42 CCOCCCOC(F)C(=O)O 97087b4488061dacdc1774c9d7ba100b [0,2,0,0,0,0|1,0,1]=4 2174 B11R0.42 CCOCCCO[C@@H](C)C(=O)O dbeb857030fda9dcaf65d75f68c28364 [0,2,0,0,0,0|1,0,1]=4 2175 B11R0.42 CCOCCCO[C@@H](F)C(=O)O 956ebb7669275079117e6ebebed08e1b [0,2,0,0,0,0|1,0,1]=4 2176 B11R0.42 CCOCCCO[C@H](C)C(=O)O da27f95b330a599ace12ccee2f4b514f [0,2,0,0,0,0|1,0,1]=4 2177 B11R0.42 CCOCCNCC(=O)C(=O)O a8e7f17dbc367a5091441bf90c6228f8 [0,2,0,0,0,0|1,0,1]=4 2178 B11R0.42 CCOCCOCC(=O)C(=O)O 39592288148a1a111f0a1d90c87afc11 [0,2,0,0,0,0|1,0,1]=4 2179 B11R0.42 CCSCCCNC(C)C(=O)O a0284e02a0674a75ac3eaaab84e34be8 [0,2,0,0,0,0|1,0,1]=4 2180 B11R0.42 CCSCCCN[C@@H](C)C(=O)O 3e3afcff1d0c6a0976e0558fcb42e749 [0,2,0,0,0,0|1,0,1]=4 2181 B11R0.42 CCSCCCN[C@H](C)C(=O)O 0c3c6c27eed19fd9e4ebdd8430777e2b [0,2,0,0,0,0|1,0,1]=4 2182 B11R0.42 CCSCCCOC(F)C(=O)O d8ab0c564c3fae0daec78529eaea0d08 [0,2,0,0,0,0|1,0,1]=4 2183 B11R0.42 CCSCCCO[C@@H](F)C(=O)O 174ae2854e683d69ed5185c4c9a10166 [0,2,0,0,0,0|1,0,1]=4 2184 B11R0.42 CCSCCNCC(=O)C(=O)O 7b2f807cbdb0e384ccb88943df9103ad [0,2,0,0,0,0|1,0,1]=4 2185 B11R0.42 CCSCCOCC(=O)C(=O)O 0d46e523a48eebf83fcaf6d79b7d9a2f [0,2,0,0,0,0|1,0,1]=4 2186 B11R0.42 COCCCCNC(=O)C(=O)C 0b6a17ec0be03d7863af8ad23856b4d1 [0,2,0,0,0,0|2,0,0]=4 2187 B11R0.42 COCCCCNC(=O)C(=O)N 71db562de2b02057e0fcccd206bded14 [0,2,0,0,0,0|2,0,0]=4 2188 B11R0.42 COCCCCNC(C)C(=O)O 795b835973e09851d1e77160d90df076 [0,2,0,0,0,0|1,0,1]=4 2189 B11R0.42 COCCCCNC(O)C(=O)O 357ae496a9867146d2285273bd8a801a [0,2,0,0,0,0|1,0,1]=4 2190 B11R0.42 COCCCCN[C@@H](C)C(=O)O cde845b286112be32cf13ea09a353337 [0,2,0,0,0,0|1,0,1]=4 2191 B11R0.42 COCCCCN[C@H](C)C(=O)O e42f27da828968aa140138840b221a9b [0,2,0,0,0,0|1,0,1]=4 2192 B11R0.42 COCCCCOC(C)C(=O)O b1d42aa6564426514df3b6f43ff0c358 [0,2,0,0,0,0|1,0,1]=4 2193 B11R0.42 COCCCCO[C@@H](C)C(=O)O 8aa9a5cc4dfab598da8180a5288ef73e [0,2,0,0,0,0|1,0,1]=4 2194 B11R0.42 COCCCCO[C@H](C)C(=O)O 41dbaf020ee9dbb37f590c108993f007 [0,2,0,0,0,0|1,0,1]=4 2195 B11R0.42 COCCCNCC(=O)C(=O)O 5549583efa2e2c0fc12def5a00256ca2 [0,2,0,0,0,0|1,0,1]=4 2196 B11R0.42 COCCCOCC(=O)C(=O)O 0425014788928b80d295f94ab7bd2f8f [0,2,0,0,0,0|1,0,1]=4 2197 B11R0.42 CSCCCCNC(=O)C(=O)C 4252638cef315a5d40911f04e881eb63 [0,2,0,0,0,0|2,0,0]=4 2198 B11R0.42 CSCCCCNC(=O)C(=O)N 9ef08159f984d7f7d05ef4713cfe3cef [0,2,0,0,0,0|2,0,0]=4 2199 B11R0.42 CSCCCCNC(C)C(=O)O 98b4bbeee5c0eb078f9b09272c7d7bd6 [0,2,0,0,0,0|1,0,1]=4 2200 B11R0.42 CSCCCCN[C@@H](C)C(=O)O 8c8f52459919f4e05fb2d9c792674bb7 [0,2,0,0,0,0|1,0,1]=4 2201 B11R0.42 CSCCCCN[C@H](C)C(=O)O ec352ad81edbb74eb46d04f5cc35879c [0,2,0,0,0,0|1,0,1]=4 2202 B11R0.42 CSCCCNCC(=O)C(=O)O c39852428722e250960d204823a244c7 [0,2,0,0,0,0|1,0,1]=4 2203 B11R0.42 CSCCCOCC(=O)C(=O)O 288c339f74a97430ee7a06ba2b1ed529 [0,2,0,0,0,0|1,0,1]=4 2204 B11R0.42 C[C@@H](NCCCCCCl)C(=O)O 43a549663308329945e14a44007f5f2e [0,2,0,0,0,0|1,0,1]=4 2205 B11R0.42 C[C@@H](NCCCCCF)C(=O)O 133a3ac908b473639816170f249b624f [0,2,0,0,0,0|1,0,1]=4 2206 B11R0.42 C[C@@H](NCCCCCO)C(=O)O ab537cd2731b5048a8aa82edb106b6d7 [0,2,0,0,0,0|1,0,1]=4 2207 B11R0.42 C[C@@H](OCCCCCF)C(=O)O 0dd95bc42b77368a1b2cce3a9036c2a7 [0,2,0,0,0,0|1,0,1]=4 2208 B11R0.42 C[C@H](NCCCCCCl)C(=O)O 0d8b3336357ef7a813df2ad1159d8cd8 [0,2,0,0,0,0|1,0,1]=4 2209 B11R0.42 C[C@H](NCCCCCF)C(=O)O 1f2ebdd115197ad1180fa4549e438f1c [0,2,0,0,0,0|1,0,1]=4 2210 B11R0.42 C[C@H](NCCCCCO)C(=O)O 013ac2706385c076dd48e585382b77af [0,2,0,0,0,0|1,0,1]=4 2211 B11R0.42 C[C@H](OCCCCCF)C(=O)O 0a4f02d7c00f4424470149709ff5c13d [0,2,0,0,0,0|1,0,1]=4 2212 B11R0.42 NC(=O)C(=O)NCCCCCCl 80e986686c8d2256dc3f971fc0456821 [0,2,0,0,0,0|2,0,0]=4 2213 B11R0.42 NC(=O)C(=O)NCCCCCO fd3e71a5fd0d0306e4b632264f3327f4 [0,2,0,0,0,0|2,0,0]=4 2214 B11R0.42 O=C(O)C(=O)CNCCCCCl 2e3e162f132f828033b0e6a3798f915f [0,2,0,0,0,0|1,0,1]=4 2215 B11R0.42 O=C(O)C(=O)CNCCCCO 4da4e863d1b2204c406cea95cacf748b [0,2,0,0,0,0|1,0,1]=4 2216 B11R0.42 O=C(O)C(=O)CNCCCCS 8510dccb78073005c2b1fc5a389d45e4 [0,2,0,0,0,0|1,0,1]=4 2217 B11R0.42 O=C(O)C(=O)COCCCCF dea6e4618aed86ee363af3e9ea3344f6 [0,2,0,0,0,0|1,0,1]=4 2218 B11R0.42 O=C(O)C(=O)COCCCCS c4365b55b35e63b10c3d475fd1cad856 [0,2,0,0,0,0|1,0,1]=4 2219 B11R0.42 O=C(O)C(O)NCCCCCF 7045c79cb8d5343b2fb79526c0352dc2 [0,2,0,0,0,0|1,0,1]=4 2220 B11R0.42 O=C(O)C(O)NCCCCCO 3e6ba4b727c0b43ba4e996e67d3a9fe2 [0,2,0,0,0,0|1,0,1]=4 2221 B11R0.46 CC(CCCCO)NCC(=O)O 1e3367a2bce532bdba078601384912b2 [0,2,0,0,0,0|1,0,1]=4 2222 B11R0.46 CCCCCC(=O)NCC(=O)C af3e7d92608982622598a3f3607f3171 [0,2,0,0,0,0|1,0,1]=4 2223 B11R0.46 CCCCCC(=O)NCC(=O)N 4521510cb11ba808a1551dcba164917e [0,2,0,0,0,0|1,0,1]=4 2224 B11R0.46 CCCCCC(C)NCC(=O)O 1bfdcef2296e34b5c0fe308e42cf1372 [0,2,0,0,0,0|0,0,2]=4 2225 B11R0.46 CCCCCC(C)OCC(=O)O 57324f0b00c57fa34b0ceda6a018e6d9 [0,2,0,0,0,0|0,0,2]=4 2226 B11R0.46 CCCCCN(C)CCC(=O)O 099f3f711cc11015825f627121b0638e [0,2,0,0,0,0|0,0,2]=4 2227 B11R0.46 CCCCC[C@@H](C)OCC(=O)O 977fea29395a7a8bfc512e7fc52361b2 [0,2,0,0,0,0|0,0,2]=4 2228 B11R0.46 CCCCC[C@H](C)NCC(=O)O 0380343a2030d4f567471addb377c0f8 [0,2,0,0,0,0|0,0,2]=4 2229 B11R0.46 CCCCC[C@H](C)OCC(=O)O 2b403272079d6041b1d247155ecbff7c [0,2,0,0,0,0|0,0,2]=4 2230 B11R0.46 CCCCNC(=O)/C=C/C(=O)C f2a1b7c0777bb55c2645997d25406829 [0,2,0,0,0,0|1,0,1]=4 2231 B11R0.46 CCCCNC(=O)/C=C/C(=O)N 602526a5633c4af626385321c569ce22 [0,2,0,0,0,0|1,0,1]=4 2232 B11R0.46 CCCCNC(=O)/C=C\C(=O)N 84cae4a81c43b897e9efe830ec096bc1 [0,2,0,0,0,0|1,0,1]=4 2233 B11R0.46 CCCCNC(=O)C=CC(=O)C 299237cc5690da7af4c65824457c27a3 [0,2,0,0,0,0|1,0,1]=4 2234 B11R0.46 CCCCNC(=O)C=CC(=O)N 791035d6fd8d28b9ece5e450b8a32378 [0,2,0,0,0,0|1,0,1]=4 2235 B11R0.46 CCCCNC(=O)NCC(=O)O 860de9a76c1efa57f796b8589fcb9ecd [0,2,0,0,0,0|1,0,1]=4 2236 B11R0.46 CCCCNC(=S)NCC(=O)O b927c68434c1ae197f7e06e2667937a7 [0,2,0,0,0,0|1,0,1]=4 2237 B11R0.46 CCCCNC(C)CCC(=O)O 25c90a2485d50f2e9558822a2afe4934 [0,2,0,0,0,0|0,0,2]=4 2238 B11R0.46 CCCCN[C@@H](C)CCC(=O)O 58abdf559e912f346c8193efceaa0201 [0,2,0,0,0,0|0,0,2]=4 2239 B11R0.46 CCCCOC(C)CCC(=O)O 650839c4954f706a638df6d6a91762ae [0,2,0,0,0,0|0,0,2]=4 2240 B11R0.46 CCCNCC(=O)CCC(=O)O 1765e3a9bf2ce3637b61aae0fa4a00d1 [0,2,0,0,0,0|1,0,1]=4 2241 B11R0.46 CCCNCC(=O)NCC(=O)O e22f1d58fcffb729eec9d55a4c49070a [0,2,0,0,0,0|1,0,1]=4 2242 B11R0.46 CCCOCC(=O)CCC(=O)O 3a0909f84f436e67a4b61ebcb795da2a [0,2,0,0,0,0|1,0,1]=4 2243 B11R0.46 CCCOCC(=O)NCC(=O)O c51dee49f5ed2129862504f79e4a21d1 [0,2,0,0,0,0|1,0,1]=4 2244 B11R0.46 CCCOCC(C)OCC(=O)O 7c05b556f01122d11e4aa7d51baa1daa [0,2,0,0,0,0|1,0,1]=4 2245 B11R0.111 C/C(=C\I)/COC/C=C/C(=O)O 04d0c42c19bfedd76cf3de2cddb44bad [0,2,0,0,0,0|1,0,1]=4 2246 B11R0.111 C/C(=C\I)/COCC=CC(=O)O 94a58095d45807a5b866bec487dc9fdd [0,2,0,0,0,0|1,0,1]=4 2247 B11R0.111 C=C(C)CNC/C=C/C(=O)OC cbd6eee2e913d833c31f999407d18dff [0,2,0,0,0,0|1,0,1]=4 2248 B11R0.111 C=C(C)CNC/C=C\C(=O)OC bd023ceab6edb5a42c5ae870d345d1c4 [0,2,0,0,0,0|1,0,1]=4 2249 B11R0.111 C=C(C)CNCC=CC(=O)OC cff3f56be0546664caf95d412d2fbd50 [0,2,0,0,0,0|1,0,1]=4 2250 B11R0.111 C=C(C)COC/C=C/C(=O)OC a082644f0bcb96bcd2122b5236064be4 [0,2,0,0,0,0|1,0,1]=4 2251 B11R0.111 C=C(C)COC/C=C\C(=O)OC f21032b693591ad06ec4ee1f1234e6b5 [0,2,0,0,0,0|1,0,1]=4 2252 B11R0.111 C=C(C)COCC=CC(=O)OC beee4d48447889434eb32a5411fe962f [0,2,0,0,0,0|1,0,1]=4 2253 B11R0.111 C=C(CC)CNC/C=C/C(=O)O 48848c3ebe29cad61af921429f245d9f [0,2,0,0,0,0|0,0,1]=3 2254 B11R0.111 C=C(CC)CNCC=CC(=O)O 0b17bb444bfe0b55cfb31b6abf60e392 [0,2,0,0,0,0|0,0,1]=3 2255 B11R0.111 C=C(CC)COC/C=C/C(=O)O a795f0e36c12baa3cee03e09c9019b3a [0,2,0,0,0,0|0,0,1]=3 2256 B11R0.111 C=C(CC)COCC=CC(=O)O d372919b7aab935edd40dc95d1868252 [0,2,0,0,0,0|0,0,1]=3 2257 B11R0.111 C=C(CNC/C=C/C(=O)O)OC 2eae2d70b604d62a888832ab65a96c19 [0,2,0,0,0,0|1,0,1]=4 2258 B11R0.111 C=C(CNCC=CC(=O)O)OC c47bab1a42935b3f096028cbcf3b0217 [0,2,0,0,0,0|1,0,1]=4 2259 B11R0.111 C=C(CO)CNC/C=C/C(=O)O b4996d2722047cbe29a8aa39d9cab95f [0,2,0,0,0,0|1,0,1]=4 2260 B11R0.111 C=C(CO)CNCC=CC(=O)O 2f5d73d58db5bdb3290ec8aa5f492951 [0,2,0,0,0,0|1,0,1]=4 2261 B11R0.111 C=C(COC/C=C/C(=O)O)OC fd23b1812846942db0bc513113c1e0b2 [0,2,0,0,0,0|1,0,1]=4 2262 B11R0.111 C=C(COCC=CC(=O)O)OC 708b502c35eb353afa57134dc87e9d33 [0,2,0,0,0,0|1,0,1]=4 2263 B11R0.111 C=CC(C)COC/C=C/C(=O)O c8a7ee89c53ad9897da4ec4bd1e1de37 [0,2,0,0,0,0|1,0,0]=3 2264 B11R0.111 C=CC(C)COCC=CC(=O)O 247ead38e9593ac41ed6de80b6a3d8cb [0,2,0,0,0,0|1,0,0]=3 2265 B11R0.111 C=CC(O)CNC/C=C/C(=O)O 6b50cdef53fb65d76c6a9797463f6f24 [0,2,0,0,0,0|0,0,2]=4 2266 B11R0.111 C=CC(O)CNCC=CC(=O)O da4a2c7c3c0e58cb9569e6cb8f768a4e [0,2,0,0,0,0|0,0,2]=4 2267 B11R0.111 CC(=CI)COC/C=C/C(=O)O 52c1946d20180e0a8227d659e505709e [0,2,0,0,0,0|1,0,1]=4 2268 B11R0.111 CC(=CI)COCC=CC(=O)O e267c6a3cc87dd1ad3830ba4e5ff7b80 [0,2,0,0,0,0|1,0,1]=4 2269 B11R0.111 CC(C#N)CNC/C=C/C(=O)O 8ed38405eb8c48e3a14bb6d82356b0f4 [0,2,0,0,0,0|1,0,0]=3 2270 B11R0.111 CC(C#N)CNCC=CC(=O)O 2d02f1cae2ff0a6ff1871d6e340bb4af [0,2,0,0,0,0|1,0,0]=3 2271 B11R0.111 CC(C#N)COC/C=C/C(=O)O 0f49b198c270bfb22ee36ae71ec18dea [0,2,0,0,0,0|1,0,0]=3 2272 B11R0.111 CC(C#N)COCC=CC(=O)O 22e2dab50797fb3f79a46436476c78d9 [0,2,0,0,0,0|1,0,0]=3 2273 B11R0.111 CC(C)CCCNCC(=O)CO dfd838eddbf8ec6324121b1cbec84d54 [0,2,0,0,0,0|1,0,1]=4 2274 B11R0.111 CC(C)CCCNCC(=O)NO 4e0492e13f8881c376c80d1b38710824 [0,2,0,0,0,0|1,0,1]=4 2275 B11R0.111 CC(CO)CCCNCC(=O)O 1de1fc102d36f3ca60c60feaef5a18df [0,2,0,0,0,0|1,0,1]=4 2276 B11R0.111 CC(CO)CNC/C=C/C(=O)O d557f9ed0ce1b096f5bc7d4449f10863 [0,2,0,0,0,0|1,0,0]=3 2277 B11R0.111 CC(CO)CNCC=CC(=O)O 33daca8ffc536091d2f94839caad47a5 [0,2,0,0,0,0|1,0,0]=3 2278 B11R0.111 CC(O)CCCNCC(=O)NO e503827938faeb4ed34a8955941bdc52 [0,2,0,0,0,0|1,0,1]=4 2279 B11R0.111 CCC(=O)CNC/C=C/C(=O)O 67a00c3f7d7fc1e94af7af29943971c4 [0,2,0,0,0,0|0,0,1]=3 2280 B11R0.111 CCC(=O)CNCC=CC(=O)O 15a53e93d23ed9d997bc0e086e8b7631 [0,2,0,0,0,0|0,0,1]=3 2281 B11R0.111 CCC(=O)COC/C=C/C(=O)O 321ac298e220290ce5fb8066e66a278c [0,2,0,0,0,0|0,0,1]=3 2282 B11R0.111 CCC(=O)COCC=CC(=O)O e107ee59e6363e3e2537c876083e3105 [0,2,0,0,0,0|0,0,1]=3 2283 B11R0.111 CCC(C)CCCOCC(=O)O 0499bf36e08b4b6291cbe67911409c42 [0,2,0,0,0,0|0,0,2]=4 2284 B11R0.111 CCC(C)CCNCCC(=O)O cec12697eb033e4fbae2a331d12d45c2 [0,2,0,0,0,0|0,0,2]=4 2285 B11R0.111 CCC(C)CCOCCC(=O)O 4b77e9d8aa524d45b395588cd9a284ae [0,2,0,0,0,0|0,0,2]=4 2286 B11R0.111 CCC(C)CNC/C=C/C(=O)O 0255b60ec070d03632a088f8c86b1dfe [0,2,0,0,0,0|0,0,0]=2 2287 B11R0.111 CCC(C)CNCC#CC(=O)O fff9193d071e322ca90592fd8352d155 [0,2,0,0,0,0|0,0,2]=4 2288 B11R0.111 CCC(C)CNCC=CC(=O)O f38167d42e5ca61045151bdcb52bbc8c [0,2,0,0,0,0|0,0,0]=2 2289 B11R0.111 CCC(C)CNCCCC(=O)O 09cbf9bf2923470c1370f970f974ffdd [0,2,0,0,0,0|0,0,2]=4 2290 B11R0.111 CCC(C)COC/C=C/C(=O)O 4c92d47bce625a2c9fce344a06a0ebce [0,2,0,0,0,0|0,0,0]=2 2291 B11R0.111 CCC(C)COCC#CC(=O)O 8b0ed2ff87e7a9365ca91991ee518680 [0,2,0,0,0,0|0,0,2]=4 2292 B11R0.111 CCC(C)COCC=CC(=O)O 26458d91b1882576ae8bf839ba2f705c [0,2,0,0,0,0|0,0,0]=2 2293 B11R0.111 CCC(C)NCCCCC(=O)O 9c5b51db971f07f8217489ecab23b5ff [0,2,0,0,0,0|0,0,2]=4 2294 B11R0.111 CCC(C)NCCOCC(=O)O 50f2d53ff5621af2a8a303b68dc25efb [0,2,0,0,0,0|1,0,1]=4 2295 B11R0.111 CCC(C)NCCSCC(=O)O d4d854c993c6a7e1461f6f1bf5997866 [0,2,0,0,0,0|1,0,1]=4 2296 B11R0.111 CCC(C)OCCC#CC(=O)O 5d00880ed7c7e7ee89b5219d541746b2 [0,2,0,0,0,0|0,0,2]=4 2297 B11R0.111 CCC(C)OCCCCC(=O)O 719924b88b0deb49fa59be4ee32bc9b0 [0,2,0,0,0,0|0,0,2]=4 2298 B11R0.111 CCC(C)OCCOCC(=O)O b60fb6d62737a9750b5d090dbc2e6de4 [0,2,0,0,0,0|1,0,1]=4 2299 B11R0.111 CCC(O)CNC/C=C/C(=O)O 8aeb611295105d615ce56505960fdf7a [0,2,0,0,0,0|0,0,0]=2 2300 B11R0.111 CCC(O)CNCC#CC(=O)O a914f55d2769084b067d43184c1f9691 [0,2,0,0,0,0|0,0,2]=4 2301 B11R0.111 CCC(O)CNCC=CC(=O)O 3ef5cb0e7045d0f90786f1bb803a8b76 [0,2,0,0,0,0|0,0,0]=2 2302 B11R0.111 CCC(O)CNCCCC(=O)O 4758614ea6560ee12ecbdf67b15a3ea9 [0,2,0,0,0,0|0,0,2]=4 2303 B11R0.111 CCC(S)CCOCCC(=O)O 17852c227724ccb40abd0882458ac146 [0,2,0,0,0,0|0,0,2]=4 2304 B11R0.111 CCN(C)CCCNCC(=O)O d7be00b7d403e390b1ba45600abbd35a [0,2,0,0,0,0|1,0,1]=4 2305 B11R0.111 CCN(C)CCCOCC(=O)O 96a7f38d6edda2d9492f68ee5ca2c291 [0,2,0,0,0,0|1,0,1]=4 2306 B11R0.111 CC[C@@H](C)CNC/C=C/C(=O)O 66653f72f10f472206fb8f1215740f20 [0,2,0,0,0,0|0,0,0]=2 2307 B11R0.111 CC[C@@H](C)CNCC#CC(=O)O 0da715f11cd5392ccba55e94d9cbf1ce [0,2,0,0,0,0|0,0,2]=4 2308 B11R0.111 CC[C@@H](C)CNCC=CC(=O)O 4283fc0eb6b53923260f32bffcc3e900 [0,2,0,0,0,0|0,0,0]=2 2309 B11R0.111 CC[C@@H](C)CNCCCC(=O)O cbbb4833d76c35ba1c919a574dc3e7a6 [0,2,0,0,0,0|0,0,2]=4 2310 B11R0.111 CC[C@@H](C)COC/C=C/C(=O)O 098ee90133b1ace28eda75551862d410 [0,2,0,0,0,0|0,0,0]=2 2311 B11R0.111 CC[C@@H](C)COCC#CC(=O)O 5a22f443bcf108ef809033097e07fe1a [0,2,0,0,0,0|0,0,2]=4 2312 B11R0.111 CC[C@@H](C)COCC=CC(=O)O c315ff68d7e1ea1c6186424e615c29d4 [0,2,0,0,0,0|0,0,0]=2 2313 B11R0.111 CC[C@@H](C)NCCOCC(=O)O e8ec695ecdf48b9a4e5d5801fec5100b [0,2,0,0,0,0|1,0,1]=4 2314 B11R0.111 CC[C@@H](C)OCCOCC(=O)O c5de35459fe1c14b7d3415b8f134eb6c [0,2,0,0,0,0|1,0,1]=4 2315 B11R0.111 CC[C@@H](O)CNC/C=C/C(=O)O b97d306281929e83a4cf68b00053347d [0,2,0,0,0,0|0,0,0]=2 2316 B11R0.111 CC[C@@H](O)CNCC=CC(=O)O da1ffd5e72cd7b8fe264fb6cef92a991 [0,2,0,0,0,0|0,0,0]=2 2317 B11R0.111 CC[C@@H](O)CNCCCC(=O)O f623457a926912731522f7071f5ddda7 [0,2,0,0,0,0|0,0,2]=4 2318 B11R0.111 CC[C@H](C)CCCOCC(=O)O 650fab3a57b034a98a3481ab37720e3e [0,2,0,0,0,0|0,0,2]=4 2319 B11R0.111 CC[C@H](C)CCOCCC(=O)O b62c105d7bb109321d0f567dcae2cb8b [0,2,0,0,0,0|0,0,2]=4 2320 B11R0.111 CC[C@H](C)CNC/C=C/C(=O)O 3b22511fcc3bde06b8edcbb00ae18cd0 [0,2,0,0,0,0|0,0,0]=2 2321 B11R0.111 CC[C@H](C)CNCC#CC(=O)O 1cfe8ea8fbd5887d5cb24430726f24aa [0,2,0,0,0,0|0,0,2]=4 2322 B11R0.111 CC[C@H](C)CNCC=CC(=O)O 274e1879bf1bf0e64414aa40a266cab9 [0,2,0,0,0,0|0,0,0]=2 2323 B11R0.111 CC[C@H](C)CNCCCC(=O)O 581363f28c8dee1645a4a70b50ddfe0e [0,2,0,0,0,0|0,0,2]=4 2324 B11R0.111 CC[C@H](C)COC/C=C/C(=O)O c70fa5f6d8f9632923a898fea1c1ed11 [0,2,0,0,0,0|0,0,0]=2 2325 B11R0.111 CC[C@H](C)COCC#CC(=O)O 7c7282d276ac05d7d5f98097ebc4ca65 [0,2,0,0,0,0|0,0,2]=4 2326 B11R0.111 CC[C@H](C)COCC=CC(=O)O fa72e408e4268cb94fdc21f1e4932e24 [0,2,0,0,0,0|0,0,0]=2 2327 B11R0.111 CC[C@H](C)NCCOCC(=O)O edb73c59843fa3d36d0e0f0e5c7edd28 [0,2,0,0,0,0|1,0,1]=4 2328 B11R0.111 CC[C@H](C)OCCOCC(=O)O 9b120d3f71a25818bcf413a0a70c93ca [0,2,0,0,0,0|1,0,1]=4 2329 B11R0.111 CNC(=O)CNC/C=C/C(=O)O b4f3e730ae6afd7f3dd73c6ffc208978 [0,2,0,0,0,0|1,0,1]=4 2330 B11R0.111 CNC(=O)CNCC=CC(=O)O 9357a4cf0027655b89d9a6a7dfad38dc [0,2,0,0,0,0|1,0,1]=4 2331 B11R0.111 CNC(=O)COC/C=C/C(=O)O b6fc2cc62894c2923b8427efe823afb9 [0,2,0,0,0,0|1,0,1]=4 2332 B11R0.111 CNC(=O)COCC=CC(=O)O a4cad61d608683e864309fe12110abfe [0,2,0,0,0,0|1,0,1]=4 2333 B11R0.111 COC(=O)/C=C/CNCC(=O)C 90fc95e4164e8ac82ab7415e8de835aa [0,2,0,0,0,0|1,0,1]=4 2334 B11R0.111 COC(=O)/C=C/CNCC(C)C 81d9d0a555f551f6a1af1f24a275ae48 [0,2,0,0,0,0|1,0,0]=3 2335 B11R0.111 COC(=O)/C=C/CNCC(C)O 040423d594a6fd68b0b20fbbe88e6470 [0,2,0,0,0,0|1,0,0]=3 2336 B11R0.111 COC(=O)/C=C/CNCC(F)F 2fdf771d4b1eda9e1688c2d83fd2fbb2 [0,2,0,0,0,0|2,0,0]=4 2337 B11R0.111 COC(=O)/C=C/CNC[C@@H](C)O 6510bc8100429ac976aedf86d03ea2cd [0,2,0,0,0,0|1,0,0]=3 2338 B11R0.111 COC(=O)/C=C/CNC[C@H](C)O 10e1f8cfff2164903b096eabadfc800e [0,2,0,0,0,0|1,0,0]=3 2339 B11R0.111 COC(=O)/C=C/COCC(=O)C 0e0d06c1f21088e8b883c1fa46e61598 [0,2,0,0,0,0|1,0,1]=4 2340 B11R0.111 COC(=O)/C=C/COCC(C)C 3112a0dd5fc6fe21ea85da4d8bbe8f26 [0,2,0,0,0,0|1,0,0]=3 2341 B11R0.111 COC(=O)/C=C/COCC(C)F 6893bd810a818cd94bc8d3e01bff3507 [0,2,0,0,0,0|1,0,0]=3 2342 B11R0.111 COC(=O)/C=C/COCC(C)S e03de7c81089da6a1a11dabbfac52217 [0,2,0,0,0,0|1,0,0]=3 2343 B11R0.111 COC(=O)/C=C/COCC(F)F c97ecbfc21f0cf1c4f3ce0a7efa9bd55 [0,2,0,0,0,0|2,0,0]=4 2344 B11R0.111 COC(=O)/C=C/COCN(C)C 167eaac37aa2cc69f351d99dbec82c19 [0,2,0,0,0,0|2,0,0]=4 2345 B11R0.111 COC(=O)/C=C/COC[C@@H](C)F ffd984e05fa87f35d80eac88a3ca77a9 [0,2,0,0,0,0|1,0,0]=3 2346 B11R0.111 COC(=O)/C=C/COC[C@H](C)F cf40c1250f5beaf14f008d0ec06c9b60 [0,2,0,0,0,0|1,0,0]=3 2347 B11R0.111 COC(=O)/C=C\CNCC(=O)C ea3c59c40135e45bc1c4cd01d4964ded [0,2,0,0,0,0|1,0,1]=4 2348 B11R0.111 COC(=O)/C=C\CNCC(C)C ec75b3a00c49e2f67d4d93b3f9bf2a10 [0,2,0,0,0,0|1,0,0]=3 2349 B11R0.111 COC(=O)/C=C\CNCC(C)O 35064a8e5478aa84b5993d21947e9f74 [0,2,0,0,0,0|1,0,0]=3 2350 B11R0.111 COC(=O)/C=C\CNCC(F)F eb40ced8642307e28c868f02caddd376 [0,2,0,0,0,0|2,0,0]=4 2351 B11R0.111 COC(=O)/C=C\CNC[C@@H](C)O 9bcdc7bdf3269d0f3c4c7a7a62dae99e [0,2,0,0,0,0|1,0,0]=3 2352 B11R0.111 COC(=O)/C=C\CNC[C@H](C)O 4335684f06a05b89b0203e903d75d8cc [0,2,0,0,0,0|1,0,0]=3 2353 B11R0.111 COC(=O)/C=C\COCC(=O)C 7f11439b7b3f602753adc707c54f2157 [0,2,0,0,0,0|1,0,1]=4 2354 B11R0.111 COC(=O)/C=C\COCC(C)C c85b3ab4191bf6d3cd0becd19f92683d [0,2,0,0,0,0|1,0,0]=3 2355 B11R0.111 COC(=O)/C=C\COCC(C)F 66203fb2882d60c55bea0643f47ed61d [0,2,0,0,0,0|1,0,0]=3 2356 B11R0.111 COC(=O)/C=C\COCC(C)S 1f952a0faca4fc3e7df6060b6a31aa1d [0,2,0,0,0,0|1,0,0]=3 2357 B11R0.111 COC(=O)/C=C\COCC(F)F 730409c6afc821ac2844f15881266cd5 [0,2,0,0,0,0|2,0,0]=4 2358 B11R0.111 COC(=O)/C=C\COC[C@@H](C)F 69b5b3f2904ec406992570ffb27cf9b1 [0,2,0,0,0,0|1,0,0]=3 2359 B11R0.111 COC(=O)/C=C\COC[C@H](C)F 1e0cd5ea322a2065417203fd89ac556a [0,2,0,0,0,0|1,0,0]=3 2360 B11R0.111 COC(=O)C=CCNCC(=O)C c44856dabd294afaebb59306e183f811 [0,2,0,0,0,0|1,0,1]=4 2361 B11R0.111 COC(=O)C=CCNCC(C)C 78554e77f3e0188e3a83101f579ce25f [0,2,0,0,0,0|1,0,0]=3 2362 B11R0.111 COC(=O)C=CCNCC(C)O f6f94aad48e680331a848629847948ec [0,2,0,0,0,0|1,0,0]=3 2363 B11R0.111 COC(=O)C=CCNCC(F)F ada1bcf0e99c5b762bbc1681dbd01f9f [0,2,0,0,0,0|2,0,0]=4 2364 B11R0.111 COC(=O)C=CCNC[C@@H](C)O e4bc5f3482dcb27caa0bebaf0625073b [0,2,0,0,0,0|1,0,0]=3 2365 B11R0.111 COC(=O)C=CCNC[C@H](C)O 293d313cdcb0a93b30810e08d635b72d [0,2,0,0,0,0|1,0,0]=3 2366 B11R0.111 COC(=O)C=CCOCC(=O)C 75e51ddd881464e545838c5cdc7e7e14 [0,2,0,0,0,0|1,0,1]=4 2367 B11R0.111 COC(=O)C=CCOCC(C)C 52daf2c0af6c04f6bf2b0e484387235a [0,2,0,0,0,0|1,0,0]=3 2368 B11R0.111 COC(=O)C=CCOCC(C)F a05ad6d29af059b886ebd9b6332728a8 [0,2,0,0,0,0|1,0,0]=3 2369 B11R0.111 COC(=O)C=CCOCC(C)S e5069cbdb71778d2a9cdece253c5ec12 [0,2,0,0,0,0|1,0,0]=3 2370 B11R0.111 COC(=O)C=CCOCC(F)F 7321a376c2065db6c0f573029e66893f [0,2,0,0,0,0|2,0,0]=4 2371 B11R0.111 COC(=O)C=CCOC[C@@H](C)F 168d8a43aa210f4f29445a508a53e3b9 [0,2,0,0,0,0|1,0,0]=3 2372 B11R0.111 COC(=O)C=CCOC[C@H](C)F 44a2bb3227d4028769fe51ef0bbd8f48 [0,2,0,0,0,0|1,0,0]=3 2373 B11R0.111 COC(=O)CNC/C=C/C(=O)O 346cbb7da68bed590cfa6d78e7f351af [0,2,0,0,0,0|1,0,1]=4 2374 B11R0.111 COC(=O)CNCC=CC(=O)O 22af4cabd9c6c6a529c2190fe9b20892 [0,2,0,0,0,0|1,0,1]=4 2375 B11R0.111 COC(=O)CNCCCC(C)C b9882d3a2d5dd6634f7d12528bd821ce [0,2,0,0,0,0|1,0,1]=4 2376 B11R0.111 COC(=O)CNCCCC(C)O e12af7d35dfa6838772e5c0dfa273ce7 [0,2,0,0,0,0|1,0,1]=4 2377 B11R0.111 COC(=O)COC/C=C/C(=O)O 27ce7755ba697200cab942ba4a269311 [0,2,0,0,0,0|1,0,1]=4 2378 B11R0.111 COC(=O)COCC=CC(=O)O ad6f9016f57d5b8724ddac2ef821edb4 [0,2,0,0,0,0|1,0,1]=4 2379 B11R0.111 COC(=O)COCCCC(C)C b67746af44a07ea56d6cff22aea1b7b7 [0,2,0,0,0,0|1,0,1]=4 2380 B11R0.111 COC(C)CNC/C=C/C(=O)O e391710691edb462633b98c1592dd3a7 [0,2,0,0,0,0|1,0,0]=3 2381 B11R0.111 COC(C)CNCC=CC(=O)O a9eee212ef641799c884e089ae2cede8 [0,2,0,0,0,0|1,0,0]=3 2382 B11R0.111 COC(C)COC/C=C/C(=O)O 61e17fd3918d274f0fcb19fd3614dd80 [0,2,0,0,0,0|1,0,0]=3 2383 B11R0.111 COC(C)COCC=CC(=O)O 9885bb5156c16b6c70730a1009517e77 [0,2,0,0,0,0|1,0,0]=3 2384 B11R0.111 CO[C@@H](C)CNC/C=C/C(=O)O bdbc2012cac056fcf91ce2490c98fda1 [0,2,0,0,0,0|1,0,0]=3 2385 B11R0.111 CO[C@@H](C)CNCC=CC(=O)O a486958f84ae38fb1b9c08f35e19991f [0,2,0,0,0,0|1,0,0]=3 2386 B11R0.111 CO[C@@H](C)COC/C=C/C(=O)O 14d921fb699530d61c5911c403f4a9cd [0,2,0,0,0,0|1,0,0]=3 2387 B11R0.111 CO[C@@H](C)COCC=CC(=O)O 3d7b93aae4c0d323fabdc882e6bf96dd [0,2,0,0,0,0|1,0,0]=3 2388 B11R0.111 CO[C@H](C)CNC/C=C/C(=O)O 23c8eea9379b20007693f676fb1b3d21 [0,2,0,0,0,0|1,0,0]=3 2389 B11R0.111 CO[C@H](C)CNCC=CC(=O)O 7d789211d3174aa613f33b19230bc063 [0,2,0,0,0,0|1,0,0]=3 2390 B11R0.111 CO[C@H](C)COC/C=C/C(=O)O e6e7e885100b4165a7e29655b1ba9190 [0,2,0,0,0,0|1,0,0]=3 2391 B11R0.111 CO[C@H](C)COCC=CC(=O)O a8bb5c5bf67ea29127a1e372bd57b7b6 [0,2,0,0,0,0|1,0,0]=3 2392 B11R0.111 C[C@@H](CO)CNC/C=C/C(=O)O 89ae846e44f8baf01a9da7696dfaeb2b [0,2,0,0,0,0|1,0,0]=3 2393 B11R0.111 C[C@@H](CO)CNCC=CC(=O)O 9d4b67330d936e35dce5c300e8a96c4c [0,2,0,0,0,0|1,0,0]=3 2394 B11R0.111 C[C@H](CO)CNC/C=C/C(=O)O 09e8f9fdd8ce051e85d4f532b3bd76a4 [0,2,0,0,0,0|1,0,0]=3 2395 B11R0.111 C[C@H](CO)CNCC=CC(=O)O 66dcacfb24f65972b1351c8af50e2ba9 [0,2,0,0,0,0|1,0,0]=3 2396 B11R0.111 O=C(O)/C=C/CNCC(=O)CO c0658a2cb39bfbdbc4d209d11e0212a0 [0,2,0,0,0,0|1,0,1]=4 2397 B11R0.111 O=C(O)/C=C/CNCC(Br)CBr 8a495986fc2e616e464c323193856788 [0,2,0,0,0,0|1,0,0]=3 2398 B11R0.111 O=C(O)/C=C/CNCC(F)CO 9b52e4dce0cf02cca6542cb88c364376 [0,2,0,0,0,0|1,0,0]=3 2399 B11R0.111 O=C(O)/C=C/CNCC(O)CF 440144fbeeae00e0dfc299ebcf6f1844 [0,2,0,0,0,0|1,0,0]=3 2400 B11R0.111 O=C(O)/C=C/CNCC(O)CO d2e3c5dc68d24c93f2fcaa8271fbacff [0,2,0,0,0,0|1,0,0]=3 2401 B11R0.111 O=C(O)/C=C/CNC[C@@H](F)CO 0d824748c60ceb1adbff5dbf8695be69 [0,2,0,0,0,0|1,0,0]=3 2402 B11R0.111 O=C(O)/C=C/CNC[C@@H](O)CO d00d29991ef15bd3c630606130e81519 [0,2,0,0,0,0|1,0,0]=3 2403 B11R0.111 O=C(O)/C=C/CNC[C@H](F)CO 034094fac7be5ed60863007fb2d60684 [0,2,0,0,0,0|1,0,0]=3 2404 B11R0.111 O=C(O)/C=C/CNC[C@H](O)CO ffac01ba20b665e4a9ffe978f4a5c661 [0,2,0,0,0,0|1,0,0]=3 2405 B11R0.111 O=C(O)/C=C/COCC(Br)CBr 7f040fb4917d48b7d14a212ffbb02188 [0,2,0,0,0,0|1,0,0]=3 2406 B11R0.111 O=C(O)/C=C/COCC(Cl)CCl 5b1adfc8958269d30c44fe20e59a0c3c [0,2,0,0,0,0|1,0,0]=3 2407 B11R0.111 O=C(O)/C=C/COCC(O)CO 5aaed627af4139209adcaa9edd049e4a [0,2,0,0,0,0|1,0,0]=3 2408 B11R0.111 O=C(O)/C=C/COCC(S)CS b02aeb5ee0123bf06e6c036adaebac15 [0,2,0,0,0,0|1,0,0]=3 2409 B11R0.111 O=C(O)/C=C/COC[C@@H](O)CO ebc16253ebe7677ac4eed7c2551b5396 [0,2,0,0,0,0|1,0,0]=3 2410 B11R0.111 O=C(O)/C=C/COC[C@H](O)CO 0eb99ff8ca0e8b8f8074c8c773565205 [0,2,0,0,0,0|1,0,0]=3 2411 B11R0.111 O=C(O)C=CCNCC(=O)CO 1cba3976b0f8ad689956e18a30b5c54a [0,2,0,0,0,0|1,0,1]=4 2412 B11R0.111 O=C(O)C=CCNCC(Br)CBr ef8ce8bcd8a94093a70da2b0a8fb5c31 [0,2,0,0,0,0|1,0,0]=3 2413 B11R0.111 O=C(O)C=CCNCC(F)CO 9d7bcdf4edee40a136fdf10e2fa5c4b1 [0,2,0,0,0,0|1,0,0]=3 2414 B11R0.111 O=C(O)C=CCNCC(O)CF 39e10f74b7acd914829da05afa9dc923 [0,2,0,0,0,0|1,0,0]=3 2415 B11R0.111 O=C(O)C=CCNCC(O)CO 436c8020cadfb8f76d35d85ff685e934 [0,2,0,0,0,0|1,0,0]=3 2416 B11R0.111 O=C(O)C=CCNC[C@@H](F)CO 3ca5fc438d209d2b8081cb3dfd656e1e [0,2,0,0,0,0|1,0,0]=3 2417 B11R0.111 O=C(O)C=CCNC[C@@H](O)CO d280b1d29d212c575386f5ef93b6651a [0,2,0,0,0,0|1,0,0]=3 2418 B11R0.111 O=C(O)C=CCNC[C@H](F)CO 035fa4b80a9f3774a2e3f1253dbc5f27 [0,2,0,0,0,0|1,0,0]=3 2419 B11R0.111 O=C(O)C=CCNC[C@H](O)CO f1c851552e5e30f03a6d6b5f704431b0 [0,2,0,0,0,0|1,0,0]=3 2420 B11R0.111 O=C(O)C=CCOCC(Br)CBr 57045059a17ed46cdd447ad9b4d96752 [0,2,0,0,0,0|1,0,0]=3 2421 B11R0.111 O=C(O)C=CCOCC(Cl)CCl 0a9bb674c994f7fb479739d103b1857c [0,2,0,0,0,0|1,0,0]=3 2422 B11R0.111 O=C(O)C=CCOCC(O)CO 29358225dc8b9418fca411908cae08c4 [0,2,0,0,0,0|1,0,0]=3 2423 B11R0.111 O=C(O)C=CCOCC(S)CS 228a0004d13a9ebc07ec59407de9ed42 [0,2,0,0,0,0|1,0,0]=3 2424 B11R0.111 O=C(O)C=CCOC[C@@H](O)CO b502ee5c0fe744976e8f4f2c438648d6 [0,2,0,0,0,0|1,0,0]=3 2425 B11R0.111 O=C(O)C=CCOC[C@H](O)CO db5bccf7c8d4c232433984fab9d45d3e [0,2,0,0,0,0|1,0,0]=3 2426 B11R0.148 C#CCCCCCNCC(=O)O b8d00f5834615ef2b8fe58bee713c10a [0,2,0,0,0,0|1,0,1]=4 2427 B11R0.148 C#CCCCCCOCC(=O)O f8df082162972f68c515249933b0b517 [0,2,0,0,0,0|1,0,1]=4 2428 B11R0.148 C#CCCCNC/C=C/C(=O)O f74687b1151ab5fd2880c5eac2d31684 [0,2,0,0,0,0|0,0,1]=3 2429 B11R0.148 C#CCCCNCC=CC(=O)O bfae833a7e6c388d59f0a66cfd3766e6 [0,2,0,0,0,0|0,0,1]=3 2430 B11R0.148 C#CCCCOC/C=C/C(=O)O 197143ae268ffddab3665bde5a2ffa39 [0,2,0,0,0,0|0,0,1]=3 2431 B11R0.148 C#CCCCOCC=CC(=O)O 8410a54feee04b8b7e86761984d08021 [0,2,0,0,0,0|0,0,1]=3 2432 B11R0.148 C/C=C/CCOC/C=C/C(=O)O 606d0f701a07c0c4475b91fdbdfc1a9a [0,2,0,0,0,0|0,0,1]=3 2433 B11R0.148 C/C=C/CCOCC=CC(=O)O 784eeb6c6290525c6fc12db91b8d922b [0,2,0,0,0,0|0,0,1]=3 2434 B11R0.148 C=C=CCCOC/C=C/C(=O)O e79f9bb8d3d07c3bc36fe62c0e380d08 [0,2,0,0,0,0|0,0,2]=4 2435 B11R0.148 C=C=CCCOCC=CC(=O)O 610dfde388b8f538d8b976814f0eb264 [0,2,0,0,0,0|0,0,2]=4 2436 B11R0.148 C=CCCCCCNCC(=O)O 7aa5ba1994425bccb2af733c34b3554f [0,2,0,0,0,0|1,0,1]=4 2437 B11R0.148 C=CCCCCCOCC(=O)O aa84ff8d74f73c4fd8ca277dacee1a87 [0,2,0,0,0,0|1,0,1]=4 2438 B11R0.148 C=CCCCNC/C=C/C(=O)O 695eb5b879ef112254d8472c5c81590f [0,2,0,0,0,0|0,0,1]=3 2439 B11R0.148 C=CCCCNCC=CC(=O)O 33c547c9b97867554b825bd3a114e821 [0,2,0,0,0,0|0,0,1]=3 2440 B11R0.148 C=CCCCOC/C=C/C(=O)O 7f5651032be352ae0f248e7ad12aeced [0,2,0,0,0,0|0,0,1]=3 2441 B11R0.148 C=CCCCOCC=CC(=O)O ad8d400e558020a645a644f4b1f1ac38 [0,2,0,0,0,0|0,0,1]=3 2442 B11R0.148 C=COCCNC/C=C/C(=O)O 7a9093cbea9665d4655f04a27cac6a4c [0,2,0,0,0,0|0,0,2]=4 2443 B11R0.148 C=COCCNCC=CC(=O)O 70f518b6611f6f5842a6a6568b081243 [0,2,0,0,0,0|0,0,2]=4 2444 B11R0.148 C=COCCOC/C=C/C(=O)O f0d84b7f12466b9ffe0a02f65a4d35f7 [0,2,0,0,0,0|0,0,2]=4 2445 B11R0.148 C=COCCOCC=CC(=O)O e3f683aa8148fe0b2903ec70a433b6b2 [0,2,0,0,0,0|0,0,2]=4 2446 B11R0.148 CC#CCCOC/C=C/C(=O)O c3fc375a643e7b71cab1c4cd0a3d217a [0,2,0,0,0,0|0,0,1]=3 2447 B11R0.148 CC#CCCOCC=CC(=O)O 5ad377f75fa067fdd7332bc816043b5f [0,2,0,0,0,0|0,0,1]=3 2448 B11R0.148 CC/C=C/CNC/C=C/C(=O)O 9edd9485d2f9b2479dbf056f07ca8262 [0,2,0,0,0,0|0,0,1]=3 2449 B11R0.148 CC/C=C/CNCC=CC(=O)O 4a12aba1e077762b686f208103d0481d [0,2,0,0,0,0|0,0,1]=3 2450 B11R0.148 CC/C=C/COC/C=C/C(=O)O b8dcf5244c49adb761a42bf218ba4ded [0,2,0,0,0,0|0,0,1]=3 2451 B11R0.148 CC/C=C/COCC=CC(=O)O 13d216e9aca2109b69dcffe44c2821ff [0,2,0,0,0,0|0,0,1]=3 2452 B11R0.148 CC/C=C\CCCOCC(=O)O 418107702edcb4b692b364a486645041 [0,2,0,0,0,0|1,0,1]=4 2453 B11R0.148 CC/C=C\COC/C=C/C(=O)O 2ca5df9cb5d121cceb424d6fac1e5562 [0,2,0,0,0,0|0,0,1]=3 2454 B11R0.148 CC/C=C\COCC=CC(=O)O 69fa57298619c67031dde1e4922e761b [0,2,0,0,0,0|0,0,1]=3 2455 B11R0.148 CCC#CCNC/C=C/C(=O)O f10173323f8d0f673a0dbd892d82562a [0,2,0,0,0,0|0,0,1]=3 2456 B11R0.148 CCC#CCNCC=CC(=O)O 9f0e4b0073ecc1ed0afeef066660b3b3 [0,2,0,0,0,0|0,0,1]=3 2457 B11R0.148 CCC#CCOC/C=C/C(=O)O 6ef421b667d5b068641edf78a710de9b [0,2,0,0,0,0|0,0,1]=3 2458 B11R0.148 CCC#CCOCC=CC(=O)O c237e565c8319a0c2d1711e1e81e07be [0,2,0,0,0,0|0,0,1]=3 2459 B11R0.148 CCC/C=C\CCOCC(=O)O 7386dcb400fa9a5d7fe9159de9a0f603 [0,2,0,0,0,0|1,0,1]=4 2460 B11R0.148 CCCC#CCCOCC(=O)O af630c364e3283e8eae6d25efda2d4ca [0,2,0,0,0,0|1,0,1]=4 2461 B11R0.148 CCCC/C=C/CNCC(=O)O b3eb0975e1d9d666b5c697b95659a159 [0,2,0,0,0,0|0,0,2]=4 2462 B11R0.148 CCCC/C=C/COCC(=O)O 077a70f521a7f93e5a874728d5fa9c34 [0,2,0,0,0,0|0,0,2]=4 2463 B11R0.148 CCCC/C=C\CNCC(=O)O 3ba6f769e98348afa2826db146631e9b [0,2,0,0,0,0|0,0,2]=4 2464 B11R0.148 CCCC/C=C\COCC(=O)O 110cbe91fd6acad57de2c910e1b1e5f6 [0,2,0,0,0,0|0,0,2]=4 2465 B11R0.148 CCCCCCCNCC(=O)O 604ac707776db9c80f9dbe81aba07aab [0,2,0,0,0,0|0,0,2]=4 2466 B11R0.148 CCCCCCCOCC(=O)O 2e9c1bc97c278d8f4eec0fc057b4f886 [0,2,0,0,0,0|0,0,2]=4 2467 B11R0.148 CCCCCCNCCC(=O)O 8d33e817dab78094c47164cc7392c6c0 [0,2,0,0,0,0|0,0,2]=4 2468 B11R0.148 CCCCCCOCCC(=O)O 4717319825633e38fbcaeec5411785fc [0,2,0,0,0,0|0,0,2]=4 2469 B11R0.148 CCCCCNC/C=C/C(=O)O b8046f0d80c9ff3885cdfa6c42d71162 [0,2,0,0,0,0|0,0,0]=2 2470 B11R0.148 CCCCCNCC#CC(=O)O aed9235485305f99eb505497ed25180e [0,2,0,0,0,0|0,0,2]=4 2471 B11R0.148 CCCCCNCC=CC(=O)O 58813a84cba492cefaaec0f7c2af3ed6 [0,2,0,0,0,0|0,0,0]=2 2472 B11R0.148 CCCCCNCCCC(=O)O ce92314d02facc18c8164866ccc58acb [0,2,0,0,0,0|0,0,2]=4 2473 B11R0.148 CCCCCOC/C=C/C(=O)O 3d3460a3a6eee12116378f2de4d92d1f [0,2,0,0,0,0|0,0,0]=2 2474 B11R0.148 CCCCCOCC#CC(=O)O 5c208b4c2dc6a197983d39a5def0aeed [0,2,0,0,0,0|0,0,2]=4 2475 B11R0.148 CCCCCOCC=CC(=O)O ac6921bf081433b1f8d6059fbeb527c4 [0,2,0,0,0,0|0,0,0]=2 2476 B11R0.148 CCCCNCCCCC(=O)O db2891a1a49d26c3dd9a356095c13ecb [0,2,0,0,0,0|0,0,2]=4 2477 B11R0.148 CCCCNCCOCC(=O)O c3ef0b6e39b500596a34f8201361fc3a [0,2,0,0,0,0|0,0,2]=4 2478 B11R0.148 CCCCNCCSCC(=O)O 19c0aa25c2747ad4736c5abc66ee689c [0,2,0,0,0,0|0,0,2]=4 2479 B11R0.148 CCCCOCCC#CC(=O)O 74d0efe4ad55f9a50fc1408fe4f834e6 [0,2,0,0,0,0|0,0,2]=4 2480 B11R0.148 CCCCOCCCCC(=O)O 00e520501e14c3e825ffc7300146a3fe [0,2,0,0,0,0|0,0,2]=4 2481 B11R0.148 CCCCOCCNCC(=O)O 5e535394d6f535f6322b79b8b1a838be [0,2,0,0,0,0|0,0,2]=4 2482 B11R0.148 CCCCOCCOCC(=O)O f3952d347bddfc2dfd656d051a77ceb9 [0,2,0,0,0,0|0,0,2]=4 2483 B11R0.148 CCCCOCNCCC(=O)O 59d3523aaed3910cf6d2b55b40981768 [0,2,0,0,0,0|0,0,2]=4 2484 B11R0.148 CCCCOCOCCC(=O)O 1fc55cd284db7eca48e94025d087c373 [0,2,0,0,0,0|0,0,2]=4 2485 B11R0.148 CCCCSCCOCC(=O)O ac797cbb248e6531ce12e2e37d4432b3 [0,2,0,0,0,0|0,0,2]=4 2486 B11R0.148 CCCNCCCCCC(=O)O 040617eb9e641e6c46ed6e1b925655c5 [0,2,0,0,0,0|0,0,2]=4 2487 B11R0.148 CCCNCCCOCC(=O)O 0fe8426b6f63ee30bea77f979722006c [0,2,0,0,0,0|0,0,2]=4 2488 B11R0.148 CCCNCCOCCC(=O)O 1f840a8dfeffea9a17d6831074997663 [0,2,0,0,0,0|0,0,2]=4 2489 B11R0.148 CCCOCCCCCC(=O)O fa333152e0beffd56620c1d14609917b [0,2,0,0,0,0|0,0,2]=4 2490 B11R0.148 CCCOCCCNCC(=O)O 295a16ed1d6368a92e0dacd0d6a7c9c0 [0,2,0,0,0,0|0,0,2]=4 2491 B11R0.148 CCCOCCCOCC(=O)O 1f8662db2650bfb91265d5551bc7d84a [0,2,0,0,0,0|0,0,2]=4 2492 B11R0.148 CCCOCCNCCC(=O)O 3216e228b5856edae86b90ecacfcf231 [0,2,0,0,0,0|0,0,2]=4 2493 B11R0.148 CCCOCCOCCC(=O)O 481e9c6b14336445a42a64879cba16db [0,2,0,0,0,0|0,0,2]=4 2494 B11R0.148 CCCSCCOCCC(=O)O 547739abbd1ded8057bcdde3e3594a1e [0,2,0,0,0,0|0,0,2]=4 2495 B11R0.148 CCNCCCCCCC(=O)O e9a5c8afc11b12a621b1b3a6781fbc3e [0,2,0,0,0,0|0,0,2]=4 2496 B11R0.148 CCOCCCCCCC(=O)O c60be55443aee57331a1445b50b93edc [0,2,0,0,0,0|0,0,2]=4 2497 B11R0.148 CCOCCCNCCC(=O)O 2b2f9d5d9072aa622d59e92279d2763e [0,2,0,0,0,0|0,0,2]=4 2498 B11R0.148 CCOCCCOCCC(=O)O 960bfd3fbc61cd9dd8dab5b3be9764c1 [0,2,0,0,0,0|0,0,2]=4 2499 B11R0.148 CCOCCNC/C=C/C(=O)O 180e79545ae63835752a114aad6ab053 [0,2,0,0,0,0|0,0,0]=2 2500 B11R0.148 CCOCCNCC#CC(=O)O ab87646df8347e07fb2eddeffc2bc2c6 [0,2,0,0,0,0|0,0,2]=4 2501 B11R0.148 CCOCCNCC=CC(=O)O 7ebe6156c1f494037b0a51305a268124 [0,2,0,0,0,0|0,0,0]=2 2502 B11R0.148 CCOCCNCCCC(=O)O 8e29492c33ef7432580d9c26f2acb055 [0,2,0,0,0,0|0,0,2]=4 2503 B11R0.148 CCOCCOC/C=C/C(=O)O 067f6e854dcca2baddc1da5d8726b400 [0,2,0,0,0,0|0,0,0]=2 2504 B11R0.148 CCOCCOCC#CC(=O)O 1c4e216c7423b8dc47d757c037ff9583 [0,2,0,0,0,0|0,0,2]=4 2505 B11R0.148 CCOCCOCC=CC(=O)O 27fccb562f0bdfd787e2068a9d95027e [0,2,0,0,0,0|0,0,0]=2 2506 B11R0.148 CCOCCOCCCC(=O)O 7188f19f71415130253b8f1d4ffb2ebe [0,2,0,0,0,0|0,0,2]=4 2507 B11R0.148 CCOCNCCCCC(=O)O aa1ae81ce73a99ebbf1bd5e7fa2b61d8 [0,2,0,0,0,0|0,0,2]=4 2508 B11R0.148 CCOCNCCOCC(=O)O a33c4a0bbec8fd138b288fbd228c702d [0,2,0,0,0,0|1,0,1]=4 2509 B11R0.148 CCOCOCCC#CC(=O)O 9480244700cd5cbec0d9a69576ca14ca [0,2,0,0,0,0|0,0,2]=4 2510 B11R0.148 CCOCOCCOCC(=O)O 97f4b2f9eafed8e6dc36d723088615dd [0,2,0,0,0,0|1,0,1]=4 2511 B11R0.148 CCSCCCCNCC(=O)O 48d23c14c94084e7bff45772097aafd6 [0,2,0,0,0,0|0,0,2]=4 2512 B11R0.148 CCSCCCOCCC(=O)O 295ed2aed1a2219fd17360210752fa06 [0,2,0,0,0,0|0,0,2]=4 2513 B11R0.148 CCSCCNC/C=C/C(=O)O a6bc3438689a03ce49577c593d432733 [0,2,0,0,0,0|0,0,0]=2 2514 B11R0.148 CCSCCNCC#CC(=O)O 3e57d42b794377aaa7da61034dcd7d0a [0,2,0,0,0,0|0,0,2]=4 2515 B11R0.148 CCSCCNCC=CC(=O)O 2a360c976885c82851dd967ffc9a3f91 [0,2,0,0,0,0|0,0,0]=2 2516 B11R0.148 CCSCCNCCCC(=O)O e75265f16a8580bfb93e2109f6957cdc [0,2,0,0,0,0|0,0,2]=4 2517 B11R0.148 CCSCCOC/C=C/C(=O)O e95eba37a36db3459c9c81e4d744903c [0,2,0,0,0,0|0,0,0]=2 2518 B11R0.148 CCSCCOCC#CC(=O)O cae7eadf55c734e52922ab8f3a426cb0 [0,2,0,0,0,0|0,0,2]=4 2519 B11R0.148 CCSCCOCC=CC(=O)O e86d5911d8fee7e79b9905a1fae4f02a [0,2,0,0,0,0|0,0,0]=2 2520 B11R0.148 CCSCCOCCCC(=O)O be81c63483d7f62e89bb00d9826e624f [0,2,0,0,0,0|0,0,2]=4 2521 B11R0.148 COCCCCCNCC(=O)O e9d365c9b641bfa544654729405f2968 [0,2,0,0,0,0|0,0,2]=4 2522 B11R0.148 COCCCCCOCC(=O)O 2ece8647978153469dc704b17fef017d [0,2,0,0,0,0|0,0,2]=4 2523 B11R0.148 COCCCCNCCC(=O)O d7bbe9fde4ea1411124188ea6025950d [0,2,0,0,0,0|0,0,2]=4 2524 B11R0.148 COCCCCOCCC(=O)O a9a7f1dd96d065141ddf56bc5e4dadb6 [0,2,0,0,0,0|0,0,2]=4 2525 B11R0.148 COCCCNC/C=C/C(=O)O b9b1ed05b523aa74090b0170ba333231 [0,2,0,0,0,0|0,0,0]=2 2526 B11R0.148 COCCCNCC#CC(=O)O 6e16ba501fada04748f9d21fc0f53edc [0,2,0,0,0,0|0,0,2]=4 2527 B11R0.148 COCCCNCC=CC(=O)O ffe4458a9d773fa0f5805fd16083945f [0,2,0,0,0,0|0,0,0]=2 2528 B11R0.148 COCCCNCCCC(=O)O dfefe79baa8d3de2e2f22b6b63766bcf [0,2,0,0,0,0|0,0,2]=4 2529 B11R0.148 COCCCOC/C=C/C(=O)O 0805cb03c3c7f2481256c9f7647a4e4f [0,2,0,0,0,0|0,0,0]=2 2530 B11R0.148 COCCCOCC#CC(=O)O 1d5efceab99816318884070aedcd0873 [0,2,0,0,0,0|0,0,2]=4 2531 B11R0.148 COCCCOCC=CC(=O)O c65c2be497ef9593c8bb24cb3e26e54d [0,2,0,0,0,0|0,0,0]=2 2532 B11R0.148 COCCCOCCCC(=O)O 49621db20500d04702119d17ede7109b [0,2,0,0,0,0|0,0,2]=4 2533 B11R0.148 COCCNCCCCC(=O)O d88042a9f5ae6ecad4def0db5518e485 [0,2,0,0,0,0|0,0,2]=4 2534 B11R0.148 COCCNCCOCC(=O)O 15d675cffbe1288665b8934bfa047fb6 [0,2,0,0,0,0|1,0,1]=4 2535 B11R0.148 COCCNCCSCC(=O)O ffd3b5a9d8009e9bff3ba8de7b83a824 [0,2,0,0,0,0|1,0,1]=4 2536 B11R0.148 COCCOCCC#CC(=O)O 10f10eaf86d8fbfa2b9b7c01d60c21f6 [0,2,0,0,0,0|0,0,2]=4 2537 B11R0.148 COCCOCCCCC(=O)O 1bfe81f974cd55b00acd5b66b8e21fb5 [0,2,0,0,0,0|0,0,2]=4 2538 B11R0.148 COCCOCCNCC(=O)O 4f8ab39ff2e64affe7e41f9cb12fdb1e [0,2,0,0,0,0|1,0,1]=4 2539 B11R0.148 COCCOCCOCC(=O)O 4b9c2d93a46cacbc0f62960a2df3fdb8 [0,2,0,0,0,0|1,0,1]=4 2540 B11R0.148 COCNCCCCCC(=O)O b84fb7ca56aca6e16d69f0a227ea45a4 [0,2,0,0,0,0|0,0,2]=4 2541 B11R0.148 COCOCCCCCC(=O)O 3afdcf882d4b857d276025b0908b1b82 [0,2,0,0,0,0|0,0,2]=4 2542 B11R0.148 COCOCCCOCC(=O)O c8bb76e993d272da528ebe3f15d68bd5 [0,2,0,0,0,0|1,0,1]=4 2543 B11R0.148 CSCCCCNCCC(=O)O 9409e81796fd35b2e0b4559edafca006 [0,2,0,0,0,0|0,0,2]=4 2544 B11R0.148 CSCCCCOCCC(=O)O 098451fe3919d093232420bf266192f1 [0,2,0,0,0,0|0,0,2]=4 2545 B11R0.148 CSCCCNC/C=C/C(=O)O bcbf55149061f62ba5092a3b145b7f09 [0,2,0,0,0,0|0,0,0]=2 2546 B11R0.148 CSCCCNCC#CC(=O)O 18eb40cdd2b3b013a96a5299191fe72d [0,2,0,0,0,0|0,0,2]=4 2547 B11R0.148 CSCCCNCC=CC(=O)O 5b844784e907b9c75f027b3c84adbd0c [0,2,0,0,0,0|0,0,0]=2 2548 B11R0.148 CSCCCNCCCC(=O)O 8c251662d46bbe64d437e9d1f67bd41a [0,2,0,0,0,0|0,0,2]=4 2549 B11R0.148 CSCCCOC/C=C/C(=O)O 8a99058dad6da5c274e4fd085728717d [0,2,0,0,0,0|0,0,0]=2 2550 B11R0.148 CSCCCOCC#CC(=O)O a8e5f9e68dcd047543bd2f76486130ee [0,2,0,0,0,0|0,0,2]=4 2551 B11R0.148 CSCCCOCC=CC(=O)O f2fcb73ed65b6922499affeea35fdfd5 [0,2,0,0,0,0|0,0,0]=2 2552 B11R0.148 CSCCNCCCCC(=O)O 0ac653ab402a0b6c32997eff60de279c [0,2,0,0,0,0|0,0,2]=4 2553 B11R0.148 CSCCNCCOCC(=O)O 6c96be9e65b19a58136170da98d1dae9 [0,2,0,0,0,0|1,0,1]=4 2554 B11R0.148 CSCCNCCSCC(=O)O 097c3b582529e35100ba182304150a64 [0,2,0,0,0,0|1,0,1]=4 2555 B11R0.148 CSCCOCCC#CC(=O)O 94754363d9fd2f09828e736e8ba8f23e [0,2,0,0,0,0|0,0,2]=4 2556 B11R0.148 CSCCOCCCCC(=O)O f3fe1c8d2ae8384b166b285c6df10be0 [0,2,0,0,0,0|0,0,2]=4 2557 B11R0.148 CSCCOCCOCC(=O)O 57299f061059627091b9f9a48ab17d8f [0,2,0,0,0,0|1,0,1]=4 2558 B11R0.148 CSCNCCCCCC(=O)O 26d2736a3f2658d831b221671ef27c2e [0,2,0,0,0,0|0,0,2]=4 2559 B11R0.148 CSCOCCCCCC(=O)O 310637b1b9fac0b1bb35b90b669b7b82 [0,2,0,0,0,0|0,0,2]=4 2560 B11R0.148 N#CCCCCCNCC(=O)O 1bf499029f5dc5eea2b959a114cd3b1d [0,2,0,0,0,0|1,0,1]=4 2561 B11R0.148 N#CCCCCCOCC(=O)O 679193cfeb5b6c38f78e0c62c7127cef [0,2,0,0,0,0|1,0,1]=4 2562 B11R0.148 N#CCCCNC/C=C/C(=O)O 0033be5c441d100b639021d2f814125b [0,2,0,0,0,0|0,0,1]=3 2563 B11R0.148 N#CCCCNCC=CC(=O)O 8a16412133d72757f6f5ed4108ffe266 [0,2,0,0,0,0|0,0,1]=3 2564 B11R0.148 N#CCCCOC/C=C/C(=O)O 25c10fdd920cfc5bbc8f7a0890206303 [0,2,0,0,0,0|0,0,1]=3 2565 B11R0.148 N#CCCCOCC=CC(=O)O ff6e1d075823766f7fb2b30f021e2dd3 [0,2,0,0,0,0|0,0,1]=3 2566 B11R0.148 O=C(O)/C=C/CNCC#CCO 94998b7c75cd1e8205b715f7731d6279 [0,2,0,0,0,0|0,0,2]=4 2567 B11R0.148 O=C(O)/C=C/CNCCCCCl 0912bc0773986e5e1969c4a27bfdc07d [0,2,0,0,0,0|0,0,0]=2 2568 B11R0.148 O=C(O)/C=C/CNCCCCF 56f266d3a3f5fc5062552b4562e58214 [0,2,0,0,0,0|0,0,0]=2 2569 B11R0.148 O=C(O)/C=C/CNCCCCO 140b7288993f12dd80a706b21f40cfe1 [0,2,0,0,0,0|0,0,0]=2 2570 B11R0.148 O=C(O)/C=C/CNCCCCS fa83bbbbf41924ec133d28fec3c82b6c [0,2,0,0,0,0|0,0,0]=2 2571 B11R0.148 O=C(O)/C=C/COCCCCF 2a0c15a229f94b052b34765fd25399ce [0,2,0,0,0,0|0,0,0]=2 2572 B11R0.148 O=C(O)/C=C/COCCCCS 7686fa9506a78f47326a649578bd5bdd [0,2,0,0,0,0|0,0,0]=2 2573 B11R0.148 O=C(O)C#CCCOCCCF 09e8201f6a4330ce1d0f6b8c332997ed [0,2,0,0,0,0|0,0,2]=4 2574 B11R0.148 O=C(O)C#CCCOCCCS 5e6ac1a283f31a4fd8181a75ab632281 [0,2,0,0,0,0|0,0,2]=4 2575 B11R0.148 O=C(O)C#CCNCCCCF c1bcb694da981a0c8f70b99a6d94fbb3 [0,2,0,0,0,0|0,0,2]=4 2576 B11R0.148 O=C(O)C#CCNCCCCO 1950808cdbf80c86ca07802118033cb6 [0,2,0,0,0,0|0,0,2]=4 2577 B11R0.148 O=C(O)C#CCOCCCCF 7fb6e349aabdb2cf44121b2c104e0609 [0,2,0,0,0,0|0,0,2]=4 2578 B11R0.148 O=C(O)C=CCNCC#CCO 26ca117315b3c32beacb4da82f499974 [0,2,0,0,0,0|0,0,2]=4 2579 B11R0.148 O=C(O)C=CCNCCCCCl 2297d9d87a648c4f9e8dec1f5784c06e [0,2,0,0,0,0|0,0,0]=2 2580 B11R0.148 O=C(O)C=CCNCCCCF b8af6c31e93fc6a20cd870d2837c5a2e [0,2,0,0,0,0|0,0,0]=2 2581 B11R0.148 O=C(O)C=CCNCCCCO 67026ef18bd90b4ddc10eaf215e2d38e [0,2,0,0,0,0|0,0,0]=2 2582 B11R0.148 O=C(O)C=CCNCCCCS ad2c43b1e490be01d5c3abc384dbbb20 [0,2,0,0,0,0|0,0,0]=2 2583 B11R0.148 O=C(O)C=CCOCCCCF c24ad3c8a0b1dcdb479219d723f0079f [0,2,0,0,0,0|0,0,0]=2 2584 B11R0.148 O=C(O)C=CCOCCCCS 1def563d19219a1128f275fb94d561ac [0,2,0,0,0,0|0,0,0]=2 2585 B11R0.148 O=C(O)CCCCCCNCF f40d7d9383d25faaad314796ef21d5fa [0,2,0,0,0,0|0,0,2]=4 2586 B11R0.148 O=C(O)CCCCCCNCO bb916ffc83ea8180940d031c988dc3e8 [0,2,0,0,0,0|0,0,2]=4 2587 B11R0.148 O=C(O)CCCCCCOCF 34a8de1dbb8755f9b03d4a6b70818343 [0,2,0,0,0,0|0,0,2]=4 2588 B11R0.148 O=C(O)CCCCCNCCF 2d0f7bc155a9f9712fc1930088d2f57c [0,2,0,0,0,0|0,0,2]=4 2589 B11R0.148 O=C(O)CCCCCNCCI 62e1c302fb46da9866e1e9dc257f5926 [0,2,0,0,0,0|0,0,2]=4 2590 B11R0.148 O=C(O)CCCCCNCCO 2f78bb25755cc91c2b83437fc93f8565 [0,2,0,0,0,0|0,0,2]=4 2591 B11R0.148 O=C(O)CCCCCNCCS 55708f3b44e02e5d397a9462463fa60e [0,2,0,0,0,0|0,0,2]=4 2592 B11R0.148 O=C(O)CCCCCOCCF c4ba4a4cd61bb822bfb7152b22c894c0 [0,2,0,0,0,0|0,0,2]=4 2593 B11R0.148 O=C(O)CCCCCOCCS 54daf2b20e1360245c618c055d3b8324 [0,2,0,0,0,0|0,0,2]=4 2594 B11R0.148 O=C(O)CCCCNCCCCl 7dfa60a025efa69ce573a4155dc51275 [0,2,0,0,0,0|0,0,2]=4 2595 B11R0.148 O=C(O)CCCCNCCCF cb609b243fe2249daace5aa4fc3d5443 [0,2,0,0,0,0|0,0,2]=4 2596 B11R0.148 O=C(O)CCCCNCCCO 9c5f1e63fc23fa4ad8947f4b10a88356 [0,2,0,0,0,0|0,0,2]=4 2597 B11R0.148 O=C(O)CCCCNCCCS 63698fa0bee516f1b0a5a6380ce8c8b9 [0,2,0,0,0,0|0,0,2]=4 2598 B11R0.148 O=C(O)CCCCOCCCF c73ed8d5d070d316525e192103423940 [0,2,0,0,0,0|0,0,2]=4 2599 B11R0.148 O=C(O)CCCCOCCCS 5298991ccf9dc6658331de62de34a928 [0,2,0,0,0,0|0,0,2]=4 2600 B11R0.148 O=C(O)CCCNCCCCF 827217bc28435a5b55a219e4b41c3d32 [0,2,0,0,0,0|0,0,2]=4 2601 B11R0.148 O=C(O)CCCNCCCCO 3332bf77c04e3a57bcdc5c455290d6fd [0,2,0,0,0,0|0,0,2]=4 2602 B11R0.148 O=C(O)CCCOCCCCF 3d954790f2241d94083a955977aa19c2 [0,2,0,0,0,0|0,0,2]=4 2603 B11R0.148 O=C(O)CCNCCCCCCl d3a821819bcc60410809e4904f0f9898 [0,2,0,0,0,0|0,0,2]=4 2604 B11R0.148 O=C(O)CCNCCCCCF 46c6006c92eb32a27375ce34a21f8d22 [0,2,0,0,0,0|0,0,2]=4 2605 B11R0.148 O=C(O)CCNCCCCCO 5a39465ff3cd1d7a23960289cd66f619 [0,2,0,0,0,0|0,0,2]=4 2606 B11R0.148 O=C(O)CCOCCCCCF fabc09b462bdbb3b3613f7ec1f025c51 [0,2,0,0,0,0|0,0,2]=4 2607 B11R0.148 O=C(O)CNCCCCCCCl dc32a566986ba7b34107464790e296cc [0,2,0,0,0,0|0,0,2]=4 2608 B11R0.148 O=C(O)CNCCCCCCF bce3f1514075f3d2f8204865ec56aef1 [0,2,0,0,0,0|0,0,2]=4 2609 B11R0.148 O=C(O)CNCCCCCCO d2379b6809e52a0c5093502cf3d19ff8 [0,2,0,0,0,0|0,0,2]=4 2610 B11R0.148 O=C(O)CNCCCOCCO b3ede148a850227f5226acf871ac1005 [0,2,0,0,0,0|1,0,1]=4 2611 B11R0.148 O=C(O)CNCCOCCCO 739078e7a2efb6ef3daf1f3632ad3500 [0,2,0,0,0,0|1,0,1]=4 2612 B11R0.148 O=C(O)COCCCCCCF 225eb71627e39626696c7d9cbf9693d6 [0,2,0,0,0,0|0,0,2]=4 2613 B11R0.148 O=C(O)COCCCCCCS af996bea4ab4a7edbee11c3b6236257b [0,2,0,0,0,0|0,0,2]=4 2614 B11R0.148 O=C(O)COCCCNCCF 8b32e92fa02e7242998c345f7a977b41 [0,2,0,0,0,0|1,0,1]=4 2615 B11R0.148 O=C(O)COCCCNCCI 712e53ef936b52358253288a841bd35d [0,2,0,0,0,0|1,0,1]=4 2616 B11R0.148 O=C(O)COCCCNCCO af1363412898dd45b2ef47663e6192cf [0,2,0,0,0,0|1,0,1]=4 2617 B11R0.148 O=C(O)COCCCNCCS 75e753fe6eb66622fce8a4f43e0e88a7 [0,2,0,0,0,0|1,0,1]=4 2618 B11R0.148 O=C(O)COCCCOCCS 93d40af58ed169db3870b4f7730ba2c7 [0,2,0,0,0,0|1,0,1]=4 2619 B11R0.148 O=C(O)COCCNCCCCl 0806cac4bce43ac96d21219078edc296 [0,2,0,0,0,0|1,0,1]=4 2620 B11R0.148 O=C(O)COCCNCCCF 1b98c3a1b95cab12948cdd38711999fc [0,2,0,0,0,0|1,0,1]=4 2621 B11R0.148 O=C(O)COCCNCCCO ae2b3b43085ac55fbf99ff7706bf9066 [0,2,0,0,0,0|1,0,1]=4 2622 B11R0.148 O=C(O)COCCNCCCS 02ff7e96a3b0b949f29b9f959d11b4d2 [0,2,0,0,0,0|1,0,1]=4 2623 B11R0.148 O=C(O)COCCOCCCF 0e1756a03a0e777e09c442bd8440f846 [0,2,0,0,0,0|1,0,1]=4 2624 B11R0.148 O=C(O)COCCOCCCS 462b0a7ebd80bf497aa7b81df9206aad [0,2,0,0,0,0|1,0,1]=4 2625 B11R0.148 O=C(O)CSCCNCCCF d256aabf54971962af9cee6fb1bcb1f1 [0,2,0,0,0,0|1,0,1]=4 2626 B11R0.148 O=C(O)CSCCNCCCO 27ff6d16ed398227bf4781815176da87 [0,2,0,0,0,0|1,0,1]=4 2627 B11R0.148 O=CCCCCCNCC(=O)O 770cfb45a4f6bd8217e387ab818b844e [0,2,0,0,0,0|1,0,1]=4 2628 B11R0.148 O=CCCCCCOCC(=O)O 11458482d4179b8ff5974303f3937114 [0,2,0,0,0,0|1,0,1]=4 2629 B11R0.148 O=CCCCNC/C=C/C(=O)O 3d293d6dfece3ea0e9341161b8e4c28f [0,2,0,0,0,0|0,0,1]=3 2630 B11R0.148 O=CCCCNCC=CC(=O)O b751b1f90cbc35d378982e0202b1f9f2 [0,2,0,0,0,0|0,0,1]=3 2631 B11R0.148 O=CCCCOC/C=C/C(=O)O 12e23bf5cb61892ae5d6ecb123ff4878 [0,2,0,0,0,0|0,0,1]=3 2632 B11R0.148 O=CCCCOCC=CC(=O)O 0f3820247b92515d10a37ebe317ec296 [0,2,0,0,0,0|0,0,1]=3 2633 B11R0.148 O=CNCCOC/C=C/C(=O)O 7217ed8ad72c5cd626724827e336c228 [0,2,0,0,0,0|1,0,1]=4 2634 B11R0.148 O=CNCCOCC=CC(=O)O 53e307f5413d86887b7d1cae21dda2c5 [0,2,0,0,0,0|1,0,1]=4 2635 B11R0.148 O=COCCOC/C=C/C(=O)O b45d4b1df18450cfcbdb43bc4933ff9f [0,2,0,0,0,0|1,0,1]=4 2636 B11R0.148 O=COCCOCC=CC(=O)O 72f8318fc112113f3291912b6cbed173 [0,2,0,0,0,0|1,0,1]=4 2637 B11R0.176 C/C=C/C(C)OC/C=C/C(=O)O fee8d7eab9dee0f3e0ca86f0b78b8b08 [0,2,0,0,0,0|0,0,2]=4 2638 B11R0.176 C/C=C/C(C)OCC=CC(=O)O 71ead4c22a73a08971a6d59de31071bb [0,2,0,0,0,0|0,0,2]=4 2639 B11R0.176 C=CCC(C)OC/C=C/C(=O)O e362b7999eae3db8af1e36b51f689ec1 [0,2,0,0,0,0|0,0,2]=4 2640 B11R0.176 C=CCC(C)OCC=CC(=O)O 6ac7f0467e8e7af81a7dcc8bfcc9c153 [0,2,0,0,0,0|0,0,2]=4 2641 B11R0.176 C=CC[C@@H](C)OC/C=C/C(=O)O 29342943251303247fd8b51e4f38a94b [0,2,0,0,0,0|0,0,2]=4 2642 B11R0.176 C=CC[C@@H](C)OCC=CC(=O)O 6eac97fdc733fbf16d941bb4d021c6e7 [0,2,0,0,0,0|0,0,2]=4 2643 B11R0.176 C=CC[C@H](C)OC/C=C/C(=O)O b4588be8ae8105237d1e13e9076db904 [0,2,0,0,0,0|0,0,2]=4 2644 B11R0.176 C=CC[C@H](C)OCC=CC(=O)O a178940502a4f6e663045355d223b4a9 [0,2,0,0,0,0|0,0,2]=4 2645 B11R0.176 CC#CC(C)OC/C=C/C(=O)O 703a07f41ff1b38469656bc59d53a7a6 [0,2,0,0,0,0|0,0,2]=4 2646 B11R0.176 CC#CC(C)OCC=CC(=O)O cdd07678f44c122d5ab61b0195c02c9c [0,2,0,0,0,0|0,0,2]=4 2647 B11R0.176 CC(CC#N)NC/C=C/C(=O)O 877fc7e4974764e18b9254a3dc965576 [0,2,0,0,0,0|1,0,1]=4 2648 B11R0.176 CC(CC#N)NCC=CC(=O)O 1cd10d0881cca8d4276282476dbaf310 [0,2,0,0,0,0|1,0,1]=4 2649 B11R0.176 CC(CC#N)OC/C=C/C(=O)O 41ebc288cd1f94a7ba18d0c129f5cfbb [0,2,0,0,0,0|1,0,1]=4 2650 B11R0.176 CC(CC#N)OCC=CC(=O)O dab0bd5cfade14756266eb874a14a2bc [0,2,0,0,0,0|1,0,1]=4 2651 B11R0.176 CC(CCO)NC/C=C/C(=O)O b275f66096e40c23f2b4e470051fca35 [0,2,0,0,0,0|1,0,0]=3 2652 B11R0.176 CC(CCO)NCC=CC(=O)O 48dac04f268b548e09c662191c6949bf [0,2,0,0,0,0|1,0,0]=3 2653 B11R0.176 CC=CC(C)OC/C=C/C(=O)O a9db436bf0ffa15b61e2f9e73261b696 [0,2,0,0,0,0|0,0,2]=4 2654 B11R0.176 CC=CC(C)OCC=CC(=O)O 638c3275746cf0fbb7a905c4191f23ac [0,2,0,0,0,0|0,0,2]=4 2655 B11R0.176 CCCC(=S)OC/C=C/C(=O)O 220d394b4bb4a4e805fc1e52dab6726e [0,2,0,0,0,0|0,0,1]=3 2656 B11R0.176 CCCC(=S)OCC=CC(=O)O 614594a62dd4bc6f17d1ff326da0db3a [0,2,0,0,0,0|0,0,1]=3 2657 B11R0.176 CCCC(C)CCOCC(=O)O 58d54a522ab047b6bc16c21f6d8fc26f [0,2,0,0,0,0|0,0,2]=4 2658 B11R0.176 CCCC(C)CNCCC(=O)O 73577dfd03901eef4bbe55dae4ae1fb2 [0,2,0,0,0,0|0,0,2]=4 2659 B11R0.176 CCCC(C)COCCC(=O)O bd84fe650b47e44f2be6aeb7b4c8bf06 [0,2,0,0,0,0|0,0,2]=4 2660 B11R0.176 CCCC(C)NC/C=C/C(=O)O 10a4f4435db3c8e3e1ae7a6f6539d11d [0,2,0,0,0,0|0,0,0]=2 2661 B11R0.176 CCCC(C)NCC#CC(=O)O 64d629a8cb0701d289447f91d8ab2873 [0,2,0,0,0,0|0,0,2]=4 2662 B11R0.176 CCCC(C)NCC=CC(=O)O 3ec30c33745e98890c5f777cff12136e [0,2,0,0,0,0|0,0,0]=2 2663 B11R0.176 CCCC(C)NCCCC(=O)O 04c4a7a7f4ffa1b1244fa093c18dae54 [0,2,0,0,0,0|0,0,2]=4 2664 B11R0.176 CCCC(C)OC/C=C/C(=O)O 3b15f7875b55ec0f4a0da46ef9dccc88 [0,2,0,0,0,0|0,0,0]=2 2665 B11R0.176 CCCC(C)OCC#CC(=O)O 35df26925b2b0374bc80c7b7f8aff49a [0,2,0,0,0,0|0,0,2]=4 2666 B11R0.176 CCCC(C)OCC=CC(=O)O c94595b3bb649127b4f71cd98f8316cc [0,2,0,0,0,0|0,0,0]=2 2667 B11R0.176 CCCC(O)CNCCC(=O)O 74f98abd31079fd9c6942e28afbcf109 [0,2,0,0,0,0|0,0,2]=4 2668 B11R0.176 CCCC(S)CCOCC(=O)O 82e8413d3a62e6cdf39de4a52bb4d7db [0,2,0,0,0,0|0,0,2]=4 2669 B11R0.176 CCCN(C)CCCCC(=O)O daac98f71969a61f3a6ff1214645bf8a [0,2,0,0,0,0|0,0,2]=4 2670 B11R0.176 CCCN(C)CCOCC(=O)O debc12ce8355b5b9418a77c113cb3ddd [0,2,0,0,0,0|1,0,1]=4 2671 B11R0.176 CCC[C@@H](C)OC/C=C/C(=O)O 246a71f248af353c44802c0f462d20a4 [0,2,0,0,0,0|0,0,0]=2 2672 B11R0.176 CCC[C@@H](C)OCC=CC(=O)O 077e12004dabb96b9ba8ef1ab6df2688 [0,2,0,0,0,0|0,0,0]=2 2673 B11R0.176 CCC[C@H](C)NC/C=C/C(=O)O fc6efa77992a6f1f40d9d0169c4d668d [0,2,0,0,0,0|0,0,0]=2 2674 B11R0.176 CCC[C@H](C)NCC=CC(=O)O 07a87910c859aa2b7ef92a8b1f794362 [0,2,0,0,0,0|0,0,0]=2 2675 B11R0.176 CCC[C@H](C)NCCCC(=O)O 0524477b3463cafee31b71a289309eed [0,2,0,0,0,0|0,0,2]=4 2676 B11R0.176 CCC[C@H](C)OC/C=C/C(=O)O 15ac7d39373e9494e1746704b756be0a [0,2,0,0,0,0|0,0,0]=2 2677 B11R0.176 CCC[C@H](C)OCC=CC(=O)O 449175fa60695a9cc05227c2001c8870 [0,2,0,0,0,0|0,0,0]=2 2678 B11R0.176 COCC(C)NC/C=C/C(=O)O e5ee2cbc84f23c16fdbd008d9f1d76bb [0,2,0,0,0,0|1,0,0]=3 2679 B11R0.176 COCC(C)NCC=CC(=O)O 181ca35aae6b8cc9269a831e9adcc4df [0,2,0,0,0,0|1,0,0]=3 2680 B11R0.176 COCC(C)OC/C=C/C(=O)O 087f8f63defb5323deff2eb80022817a [0,2,0,0,0,0|1,0,0]=3 2681 B11R0.176 COCC(C)OCC=CC(=O)O 4edf07605a7d46961ea0cd70d2043995 [0,2,0,0,0,0|1,0,0]=3 2682 B11R0.176 COC[C@@H](C)NC/C=C/C(=O)O 87d019d0201e10bf901ef1d9ab073ccb [0,2,0,0,0,0|1,0,0]=3 2683 B11R0.176 COC[C@@H](C)NCC=CC(=O)O c330452976e5dc1928311a57208bb400 [0,2,0,0,0,0|1,0,0]=3 2684 B11R0.176 COC[C@@H](C)OC/C=C/C(=O)O a91e2ccb7a3510520cfcf57114e7516a [0,2,0,0,0,0|1,0,0]=3 2685 B11R0.176 COC[C@@H](C)OCC=CC(=O)O e5172256bdaa25c4769012ca3b58a5e4 [0,2,0,0,0,0|1,0,0]=3 2686 B11R0.176 COC[C@H](C)NC/C=C/C(=O)O e66b870cee12e379bbf5f93f6f1f145f [0,2,0,0,0,0|1,0,0]=3 2687 B11R0.176 COC[C@H](C)NCC=CC(=O)O b46c560766d8cb2da934bdf5f6d6de09 [0,2,0,0,0,0|1,0,0]=3 2688 B11R0.176 COC[C@H](C)OC/C=C/C(=O)O ce2639013d58bded6db5cafef8e300f0 [0,2,0,0,0,0|1,0,0]=3 2689 B11R0.176 COC[C@H](C)OCC=CC(=O)O 7880bc5a1bdc8e0d8d0a26c376de3b62 [0,2,0,0,0,0|1,0,0]=3 2690 B11R0.176 CSCC(C)OC/C=C/C(=O)O 2387ed8d16237043ddf901da1d50683f [0,2,0,0,0,0|1,0,0]=3 2691 B11R0.176 CSCC(C)OCC=CC(=O)O 18492b70a751f58485c4cfbfee22abf9 [0,2,0,0,0,0|1,0,0]=3 2692 B11R0.176 C[C@@H](CCO)NC/C=C/C(=O)O 613014fb111c00cc8dec7c9be6629da3 [0,2,0,0,0,0|1,0,0]=3 2693 B11R0.176 C[C@@H](CCO)NCC=CC(=O)O d44305f7472dacfdc12194680911846d [0,2,0,0,0,0|1,0,0]=3 2694 B11R0.176 C[C@H](CCO)NC/C=C/C(=O)O 7afb94b6f838f3d10c270dda2bfe956a [0,2,0,0,0,0|1,0,0]=3 2695 B11R0.176 C[C@H](CCO)NCC=CC(=O)O f685577b82a9ffdde10fd2f95c72faf3 [0,2,0,0,0,0|1,0,0]=3 2696 B11R0.68 CCCCC(C)N(C)CC(=O)O 317d6297cc2a175a3a30abfb22afdb78 [0,2,0,0,0,0|1,0,1]=4 2697 B11R0.77 CCCCCN(CC)CC(=O)O eab17f4c2658f18e5aeae023d3f4b139 [0,2,0,0,0,0|1,0,1]=4 2698 B11R0.107 CCC(C)CCN(C)CC(=O)O 191696dd4b927380eeca4381e06dced3 [0,2,0,0,0,0|1,0,1]=4 2699 B11R0.107 CCC(C)OCC(=O)CC(=O)O 5e0dbab52ee432914e47b0a7f5fc95f2 [0,2,0,0,0,0|1,0,1]=4 2700 B11R0.107 CC[C@@H](C)OCC(=O)CC(=O)O dbfdbf01b5f8a9a32a2ee3d537876827 [0,2,0,0,0,0|1,0,1]=4 2701 B11R0.107 CC[C@H](C)OCC(=O)CC(=O)O c692d49ab1d467089828b950b4354d29 [0,2,0,0,0,0|1,0,1]=4 2702 B11R0.139 CCCCCN(C)C(=O)C(=O)C 89b93f060aec6517744dab396b8c6aec [0,2,0,0,0,0|2,0,0]=4 2703 B11R0.139 CCCCCN(C)C(=O)C(=O)N c2eedca310aa007522f5d464d288c45b [0,2,0,0,0,0|2,0,0]=4 2704 B11R0.139 CCCCCN(C)C(C)C(=O)O d9ba0c02bc19bf1588370e9ba0d8b77f [0,2,0,0,0,0|1,0,1]=4 2705 B11R0.139 CCCCCN(C)[C@@H](C)C(=O)O 90c2c7f9e8e5fceff77ee6ed928b9ad7 [0,2,0,0,0,0|1,0,1]=4 2706 B11R0.139 CCCCCN(C)[C@H](C)C(=O)O 6481ca4acea9c8f6b84c48cc0a265e55 [0,2,0,0,0,0|1,0,1]=4 2707 B11R0.154 C=C(CNCCC)CC(=O)OC de629e236d5601a4d987e4dc615a7c61 [0,2,0,0,0,0|1,0,1]=4 2708 B11R0.154 C=C(COCCC)CC(=O)OC 00a5f19cde265d05bbde596370a696b5 [0,2,0,0,0,0|1,0,1]=4 2709 B11R0.154 CCCCCC(C)NC(=O)CO b1987e3ffd1256966f5ade2751dbd699 [0,2,0,0,0,0|1,0,1]=4 2710 B11R0.154 CCCCCN(C)CC(=O)CO cead1d91f3733a83aa9cd1cf9caddf58 [0,2,0,0,0,0|1,0,1]=4 2711 B11R0.154 CCCCCN(C)CC(=O)OC 9a8201a1e606e55a693bfa48cb6672d4 [0,2,0,0,0,0|1,0,1]=4 2712 B11R0.154 CCCCC[C@H](C)NC(=O)CO b98ed524bef49d7d0d8229753e939d41 [0,2,0,0,0,0|1,0,1]=4 2713 B11R0.154 CCCCNC(=O)CC(=O)OC d7c856bb41edc47794a5068a73ff4ab4 [0,2,0,0,0,0|1,0,1]=4 2714 B11R0.154 CCCCO/C(=C/C(=O)CC)/C e713b94fab11a24c412997c1939a38b0 [0,2,0,0,0,0|2,0,0]=4 2715 B11R0.154 CCCNCC(=O)CC(=O)OC 889928e59d9bde1602fefdcccb29af37 [0,2,0,0,0,0|1,0,1]=4 2716 B11R0.154 CCCOCC(=O)CC(=O)OC ced4a1a872c4212b2244d6ff8e4f0f52 [0,2,0,0,0,0|1,0,1]=4 2717 B11R0.154 CCOCCC(=O)CC(=O)OC 37bfcffbc5031418091ea574d1964205 [0,2,0,0,0,0|1,0,1]=4 2718 B11R0.31 CC(C)(Br)COC/C=C/C(=O)O f11548332866a13dd3396a1a91125eac [0,2,0,0,0,0|1,0,0]=3 2719 B11R0.31 CC(C)(Br)COCC=CC(=O)O 56d53992c41a1a89bc0489168c587e8f [0,2,0,0,0,0|1,0,0]=3 2720 B11R0.31 CC(C)(C)CCCNCC(=O)O c2d2a0fb229ba3ff656992835229ac8b [0,2,0,0,0,0|1,0,1]=4 2721 B11R0.31 CC(C)(C)CCCOCC(=O)O dd1d334f68d719a9b3ff560c8c6f33b1 [0,2,0,0,0,0|1,0,1]=4 2722 B11R0.31 CC(C)(C)CNC/C=C/C(=O)O ed91d0ffb9051006d2f97e38fd19818b [0,2,0,0,0,0|1,0,0]=3 2723 B11R0.31 CC(C)(C)CNCC=CC(=O)O 2fb46fc0da2ee953a3e28bdc3e217fcc [0,2,0,0,0,0|1,0,0]=3 2724 B11R0.31 CC(C)(C)COC/C=C/C(=O)O 64fb96ab385787307e9ee4b6e4410fc9 [0,2,0,0,0,0|1,0,0]=3 2725 B11R0.31 CC(C)(C)COCC=CC(=O)O 7d79455b58f765c8ac56f9ee1cd8cf89 [0,2,0,0,0,0|1,0,0]=3 2726 B11R0.31 CC(C)(F)CNC/C=C/C(=O)O 0eef81e47d0b0c1fc3d62723fcd34dda [0,2,0,0,0,0|1,0,0]=3 2727 B11R0.31 CC(C)(F)CNCC=CC(=O)O 5b37e617258ba40b16615229cbd72fef [0,2,0,0,0,0|1,0,0]=3 2728 B11R0.31 CC(C)(F)COC/C=C/C(=O)O 87f234f3408e093af1e81c48d2d25d49 [0,2,0,0,0,0|1,0,0]=3 2729 B11R0.31 CC(C)(F)COCC=CC(=O)O 094dcddc35cd67184c03862edbf93ddc [0,2,0,0,0,0|1,0,0]=3 2730 B11R0.31 CC(C)(O)CCCNCC(=O)O a8b19bb2e41bc75e52719baae09431e5 [0,2,0,0,0,0|1,0,1]=4 2731 B11R0.31 CC(C)(O)CCCOCC(=O)O 51765f5327cc18c637d2ce67551a709b [0,2,0,0,0,0|1,0,1]=4 2732 B11R0.31 CC(C)(O)CNC/C=C/C(=O)O 915ef90bf02fc6028c99a3038c72b421 [0,2,0,0,0,0|1,0,0]=3 2733 B11R0.31 CC(C)(O)CNCC=CC(=O)O 06c1f6d8a7945013ce0ecce8d7bd80cb [0,2,0,0,0,0|1,0,0]=3 2734 B11R0.31 CC(C)(O)COC/C=C/C(=O)O f5464019f3fefec75093f43c7db60fd3 [0,2,0,0,0,0|1,0,0]=3 2735 B11R0.31 CC(C)(O)COCC=CC(=O)O e3e244edf77953e061dc22c5ef8c93c4 [0,2,0,0,0,0|1,0,0]=3 2736 B11R0.31 CC(C)(S)COC/C=C/C(=O)O a59223513ebae2687655dd68ba6507c5 [0,2,0,0,0,0|1,0,0]=3 2737 B11R0.31 CC(C)(S)COCC=CC(=O)O 77887b0caffe42a36da1d6469e824c2d [0,2,0,0,0,0|1,0,0]=3 2738 B11R0.31 CC(F)(F)CCCNCC(=O)O 56a3b3ce18ea4fce30573905cdd6b1e3 [0,2,0,0,0,0|1,0,1]=4 2739 B11R0.31 CC(F)(F)CCCOCC(=O)O 64730a5ea49ee6ef5616ea524612c47c [0,2,0,0,0,0|1,0,1]=4 2740 B11R0.31 CC(F)(F)CNC/C=C/C(=O)O d37dd99f9af497698fe210b25a715b80 [0,2,0,0,0,0|1,0,0]=3 2741 B11R0.31 CC(F)(F)CNCC=CC(=O)O 598d64a15429ceb0419e3056795a68bf [0,2,0,0,0,0|1,0,0]=3 2742 B11R0.31 CC(F)(F)COC/C=C/C(=O)O 8bd8dcd2ebe2ff64442ea444d9c5e15f [0,2,0,0,0,0|1,0,0]=3 2743 B11R0.31 CC(F)(F)COCC=CC(=O)O 53841ed355d3c7c340ff7be286c587f1 [0,2,0,0,0,0|1,0,0]=3 2744 B11R0.31 CS(=O)(=O)CNC/C=C/C(=O)O cce5f77426220ac55ec37c09973ea1b6 [0,2,0,0,0,0|2,0,0]=4 2745 B11R0.31 CS(=O)(=O)CNCC=CC(=O)O 1000257b8c546714d78d879fd75c956c [0,2,0,0,0,0|2,0,0]=4 2746 B11R0.31 CS(=O)(=O)COC/C=C/C(=O)O 12e001b5acaa02ee983d290d29070c1d [0,2,0,0,0,0|2,0,0]=4 2747 B11R0.31 CS(=O)(=O)COCC=CC(=O)O abeef28db9b7a8b1fbe691e6275eb760 [0,2,0,0,0,0|2,0,0]=4 2748 B11R0.31 O=C(O)/C=C/CNCC(F)(F)F ba35ab24dec70233a9f32fe7f82d4bf6 [0,2,0,0,0,0|2,0,0]=4 2749 B11R0.31 O=C(O)/C=C/COCC(F)(F)Br 7e2fd045e5ac07de666a11746ce71882 [0,2,0,0,0,0|2,0,0]=4 2750 B11R0.31 O=C(O)/C=C/COCC(F)(F)Cl 924052cb35489663bb464438e4afad74 [0,2,0,0,0,0|2,0,0]=4 2751 B11R0.31 O=C(O)/C=C/COCC(F)(F)F 4194757e534239c9201d6f7baa71ef94 [0,2,0,0,0,0|2,0,0]=4 2752 B11R0.31 O=C(O)C=CCNCC(F)(F)F 04136724bf43af638ea427f9412beeb2 [0,2,0,0,0,0|2,0,0]=4 2753 B11R0.31 O=C(O)C=CCOCC(F)(F)Br 1db3cc823963c49b97bbdad1d06267c1 [0,2,0,0,0,0|2,0,0]=4 2754 B11R0.31 O=C(O)C=CCOCC(F)(F)Cl 8cd031d7648e3f35107c118b5a7b644f [0,2,0,0,0,0|2,0,0]=4 2755 B11R0.31 O=C(O)C=CCOCC(F)(F)F 7588d476cd42b25ddc455dfc20c2fd0c [0,2,0,0,0,0|2,0,0]=4 2756 B11R0.22 C#CC(CC)OC/C=C/C(=O)O f176d81a90433ef439983e0a44d4cfc7 [0,2,0,0,0,0|1,0,0]=3 2757 B11R0.22 C#CC(CC)OCC=CC(=O)O 1c7e801fb13d7019a5810d9b3c95de99 [0,2,0,0,0,0|1,0,0]=3 2758 B11R0.22 C=CC(CC)OC/C=C/C(=O)O 4af19d64d382a22947e5a2e67b90b02a [0,2,0,0,0,0|1,0,0]=3 2759 B11R0.22 C=CC(CC)OCC=CC(=O)O a6318f1bff1b22d3af48e425326f1581 [0,2,0,0,0,0|1,0,0]=3 2760 B11R0.22 C=C[C@@H](CO)NC/C=C/C(=O)O 9c8143e2b62f8ab75fc2a3588ad157f5 [0,2,0,0,0,0|2,0,0]=4 2761 B11R0.22 C=C[C@@H](CO)NCC=CC(=O)O 1cc59495aed03cde748dac88f89293d4 [0,2,0,0,0,0|2,0,0]=4 2762 B11R0.22 CCC(C#N)OC/C=C/C(=O)O 5d6b8ed8b9a131b0585da11ce61b5d93 [0,2,0,0,0,0|1,0,0]=3 2763 B11R0.22 CCC(C#N)OCC=CC(=O)O cab97325a4e5bd7ac6774f93ed7a4fcd [0,2,0,0,0,0|1,0,0]=3 2764 B11R0.22 CCC(C=O)NC/C=C/C(=O)O 0253a7ccb1c6925a0c206c46c993f629 [0,2,0,0,0,0|1,0,0]=3 2765 B11R0.22 CCC(C=O)NCC=CC(=O)O dc5e4c547b85b38bd4b524f39abb70c7 [0,2,0,0,0,0|1,0,0]=3 2766 B11R0.22 CCC(C=O)OC/C=C/C(=O)O b10f1fd070cfcac08872ec23313e3fac [0,2,0,0,0,0|1,0,0]=3 2767 B11R0.22 CCC(C=O)OCC=CC(=O)O b005a89de9cae4156ee25cff2e660bd4 [0,2,0,0,0,0|1,0,0]=3 2768 B11R0.22 CCC(CC)CCNCC(=O)O f753614ba48da8bc1b0c5f6579e25225 [0,2,0,0,0,0|1,0,1]=4 2769 B11R0.22 CCC(CC)NC/C=C/C(=O)O 076e737fa652f9e3381fa2593ac151ee [0,2,0,0,0,0|1,0,0]=3 2770 B11R0.22 CCC(CC)NCC=CC(=O)O 3915ded5eda4553adffcac1832c46d1b [0,2,0,0,0,0|1,0,0]=3 2771 B11R0.22 CCC(CC)OC/C=C/C(=O)O eeac6016da6885f7a3e70c39f8c2fcad [0,2,0,0,0,0|1,0,0]=3 2772 B11R0.22 CCC(CC)OCC=CC(=O)O 7bd6f4a1f45ef59447de9b1879d0d9fc [0,2,0,0,0,0|1,0,0]=3 2773 B11R0.22 CCC(CO)NC/C=C/C(=O)O 9d35cd9a0c9cbe81699dc324929dc9a2 [0,2,0,0,0,0|1,0,0]=3 2774 B11R0.22 CCC(CO)NCC=CC(=O)O 35b9defb440b1a4bc23981e0e5cd5721 [0,2,0,0,0,0|1,0,0]=3 2775 B11R0.22 CC[C@@H](CO)NC/C=C/C(=O)O a0c5e29bf70cc7a839453891cacc60c9 [0,2,0,0,0,0|1,0,0]=3 2776 B11R0.22 CC[C@@H](CO)NCC=CC(=O)O abbe74711cde8b726cfca835a2ba1dec [0,2,0,0,0,0|1,0,0]=3 2777 B11R0.22 CC[C@H](CO)NC/C=C/C(=O)O 7aed810a32523799ae06c67252406044 [0,2,0,0,0,0|1,0,0]=3 2778 B11R0.22 CC[C@H](CO)NCC=CC(=O)O a90c576d9b3cf51458caf13ea8dc45e2 [0,2,0,0,0,0|1,0,0]=3 2779 B11R0.22 O=C(O)/C=C/CNC(CF)CF 2ab019bfaa031c26a37c741153a3b580 [0,2,0,0,0,0|2,0,0]=4 2780 B11R0.22 O=C(O)/C=C/CNC(CO)CO 11139bff5b84187070028078fdf7d590 [0,2,0,0,0,0|2,0,0]=4 2781 B11R0.22 O=C(O)/C=C/COC(CBr)CBr fb6a0c8782be854de2869e9d97256740 [0,2,0,0,0,0|2,0,0]=4 2782 B11R0.22 O=C(O)/C=C/COC(CCl)CBr be6b6f9c695b0484dade7364efd447a6 [0,2,0,0,0,0|2,0,0]=4 2783 B11R0.22 O=C(O)/C=C/COC(CCl)CCl e167b9b449c3b271a30dfa2d5639cb04 [0,2,0,0,0,0|2,0,0]=4 2784 B11R0.22 O=C(O)/C=C/COC(CF)CF 819087aa9d24e9828f49746404e9b07a [0,2,0,0,0,0|2,0,0]=4 2785 B11R0.22 O=C(O)/C=C/COC(CO)CO 20ab7669b5517ed26c8b76209d2ba2a2 [0,2,0,0,0,0|2,0,0]=4 2786 B11R0.22 O=C(O)/C=C/CO[C@@H](CCl)CI 8022a9136c0f62079ca92d3d2fd16c52 [0,2,0,0,0,0|2,0,0]=4 2787 B11R0.22 O=C(O)/C=C/CO[C@H](CCl)CI 6744f4b19c43fdb17b8c6cc7bf99897a [0,2,0,0,0,0|2,0,0]=4 2788 B11R0.22 O=C(O)C=CCNC(CF)CF df62f399ecfda064bd8b031604a32ac8 [0,2,0,0,0,0|2,0,0]=4 2789 B11R0.22 O=C(O)C=CCNC(CO)CO 02c708124595844582b4d24f47f814b6 [0,2,0,0,0,0|2,0,0]=4 2790 B11R0.22 O=C(O)C=CCOC(CBr)CBr 77e83e8d218a5bd9dde7c6d183761c5b [0,2,0,0,0,0|2,0,0]=4 2791 B11R0.22 O=C(O)C=CCOC(CCl)CBr 2289998c53a60a95daf1b9f424423e19 [0,2,0,0,0,0|2,0,0]=4 2792 B11R0.22 O=C(O)C=CCOC(CCl)CCl a6734d261e47ba3e0695e01b14154618 [0,2,0,0,0,0|2,0,0]=4 2793 B11R0.22 O=C(O)C=CCOC(CF)CF 4e408a26b2d6c93ae9d47995c72735b0 [0,2,0,0,0,0|2,0,0]=4 2794 B11R0.22 O=C(O)C=CCOC(CO)CO cdbe0af93df6cb00c9f33d36908cebd9 [0,2,0,0,0,0|2,0,0]=4 2795 B11R0.22 O=C(O)C=CCO[C@@H](CCl)CI f22df4dd1d9101ee6577f71ad59c1db7 [0,2,0,0,0,0|2,0,0]=4 2796 B11R0.22 O=C(O)C=CCO[C@H](CCl)CI a29e4e78e5785cd927c8930e226ee841 [0,2,0,0,0,0|2,0,0]=4 2797 B11R0.29 C=C(CNCCC(C)C)C(=O)O 7ea47b5a015ac235681bd249170451c6 [0,2,0,0,0,0|1,0,1]=4 2798 B11R0.29 C=C(CNCCC(C)O)C(=O)O 03eedb4b95102796968a75309cf9265d [0,2,0,0,0,0|1,0,1]=4 2799 B11R0.29 C=C(CNCC[C@@H](C)O)C(=O)O f1c1d810f067a9c2d356cbe9d1c7df74 [0,2,0,0,0,0|1,0,1]=4 2800 B11R0.29 C=C(CNCC[C@H](C)O)C(=O)O 4500edd9370b51192439d2b36469b495 [0,2,0,0,0,0|1,0,1]=4 2801 B11R0.29 C=C(COCCC(C)C)C(=O)O 9d7b8ce41b42f1de296656b8544e8695 [0,2,0,0,0,0|1,0,1]=4 2802 B11R0.29 CC(=O)C(=O)NCCCC(C)C 5b0050217051593fc4ebd9e63cd87f81 [0,2,0,0,0,0|2,0,0]=4 2803 B11R0.29 CC(=O)C(C)NC/C=C/C(=O)O 18b024f75748ab17a859d75db640b8ad [0,2,0,0,0,0|1,0,1]=4 2804 B11R0.29 CC(=O)C(C)NCC=CC(=O)O 643a032d35d3d7a0cd45c592b19d0368 [0,2,0,0,0,0|1,0,1]=4 2805 B11R0.29 CC(=O)C(C)OC/C=C/C(=O)O 40878e261cf43e71e13c6e0b5f5de529 [0,2,0,0,0,0|1,0,1]=4 2806 B11R0.29 CC(=O)C(C)OCC=CC(=O)O a07ce35a51924002bc8b7745299a9c5d [0,2,0,0,0,0|1,0,1]=4 2807 B11R0.29 CC(C)C(C)CCOCC(=O)O e7aeb86824dde9bd2e010d2ce9b0c0c0 [0,2,0,0,0,0|1,0,1]=4 2808 B11R0.29 CC(C)C(C)NC/C=C/C(=O)O 471b90ef0fa445134a1bc52618cf8741 [0,2,0,0,0,0|1,0,0]=3 2809 B11R0.29 CC(C)C(C)NCC=CC(=O)O ed460eb05a4373bd2d8868830ccc5355 [0,2,0,0,0,0|1,0,0]=3 2810 B11R0.29 CC(C)C(C)OC/C=C/C(=O)O 47d16540ea157bfac6e25053bb8b1277 [0,2,0,0,0,0|1,0,0]=3 2811 B11R0.29 CC(C)C(C)OCC=CC(=O)O 7ea76f87b50247e2476d67268f9b2741 [0,2,0,0,0,0|1,0,0]=3 2812 B11R0.29 CC(C)CCCNC(=O)C(=O)N c3a3916589d2a6829d625b0dd6bb64b3 [0,2,0,0,0,0|2,0,0]=4 2813 B11R0.29 CC(C)CCCNC(C)C(=O)O 60b5a4dbce3395c74b9d6da6401c7862 [0,2,0,0,0,0|1,0,1]=4 2814 B11R0.29 CC(C)CCCNC(O)C(=O)O f1b4ef2a0825e9247abf6872e0e07d8b [0,2,0,0,0,0|1,0,1]=4 2815 B11R0.29 CC(C)CCCN[C@@H](C)C(=O)O a99d727ab5806f6b015d1afb227ff7bf [0,2,0,0,0,0|1,0,1]=4 2816 B11R0.29 CC(C)CCCN[C@H](C)C(=O)O cdde59eee8e6761ba74273f5394e560e [0,2,0,0,0,0|1,0,1]=4 2817 B11R0.29 CC(C)CCCOC(C)C(=O)O 718c76e06566bdb82c95ae87f70256db [0,2,0,0,0,0|1,0,1]=4 2818 B11R0.29 CC(C)CCCO[C@@H](C)C(=O)O 25ff4d13c775b33bca24e0a1ed72839b [0,2,0,0,0,0|1,0,1]=4 2819 B11R0.29 CC(C)CCCO[C@H](C)C(=O)O d430685e4496dac470417251d21b2d75 [0,2,0,0,0,0|1,0,1]=4 2820 B11R0.29 CC(C)CCNCC(=O)C(=O)O 9f3a5db9c11dba511d6421d2cdc148ee [0,2,0,0,0,0|1,0,1]=4 2821 B11R0.29 CC(C)CCOCC(=O)C(=O)O cbf0ecf89e6f283f626c39157869fe66 [0,2,0,0,0,0|1,0,1]=4 2822 B11R0.29 CC(C)[C@@H](C)NC/C=C/C(=O)O 7b7269aee83a78c3c536df80b2dfa2a6 [0,2,0,0,0,0|1,0,0]=3 2823 B11R0.29 CC(C)[C@@H](C)NCC=CC(=O)O 16412ce9053893e4b2c69d177536354f [0,2,0,0,0,0|1,0,0]=3 2824 B11R0.29 CC(C)[C@@H](C)OC/C=C/C(=O)O 9c0109437a2cf0e968c21f6ee1c0e86d [0,2,0,0,0,0|1,0,0]=3 2825 B11R0.29 CC(C)[C@@H](C)OCC=CC(=O)O 02cd2afdde63f41651ae6c9486d7895c [0,2,0,0,0,0|1,0,0]=3 2826 B11R0.29 CC(C)[C@H](C)NC/C=C/C(=O)O bc0a7c8a4bab86b63be4de8b5e3f0e2b [0,2,0,0,0,0|1,0,0]=3 2827 B11R0.29 CC(C)[C@H](C)NCC=CC(=O)O 467d74c1729581f99e670581a8c4080e [0,2,0,0,0,0|1,0,0]=3 2828 B11R0.29 CC(C)[C@H](C)OC/C=C/C(=O)O db3fc4215519e67c0f6d95f94631770b [0,2,0,0,0,0|1,0,0]=3 2829 B11R0.29 CC(C)[C@H](C)OCC=CC(=O)O ef68f0acd29e108116cb5bc0a4372cb9 [0,2,0,0,0,0|1,0,0]=3 2830 B11R0.29 CC(O)C(C)NC/C=C/C(=O)O 1c970a2153f996859e8a185a571ffd69 [0,2,0,0,0,0|1,0,0]=3 2831 B11R0.29 CC(O)C(C)NCC=CC(=O)O fa506095d8a48c28fea6e92147cdb47c [0,2,0,0,0,0|1,0,0]=3 2832 B11R0.29 CC(O)CCCNC(C)C(=O)O 2daebbacc15ca3b09b7f5e541a17e8f0 [0,2,0,0,0,0|1,0,1]=4 2833 B11R0.29 CC(O)CCCNC(O)C(=O)O 41661cfe10a49e9dc2e28de529439ee0 [0,2,0,0,0,0|1,0,1]=4 2834 B11R0.29 CC(O)CCCN[C@@H](C)C(=O)O 3f2aec308bb6e56ff02245004463826d [0,2,0,0,0,0|1,0,1]=4 2835 B11R0.29 CC(O)CCCN[C@H](C)C(=O)O 3bd696fb1b9d593e47651406c586fcfb [0,2,0,0,0,0|1,0,1]=4 2836 B11R0.29 CC(O)CCNCC(=O)C(=O)O 95adcb5c0580d1d52b75b4f840761038 [0,2,0,0,0,0|1,0,1]=4 2837 B11R0.29 CC(OC/C=C/C(=O)O)C(F)F 66af06241ed18fcbf0d7aa0ea1b809b9 [0,2,0,0,0,0|2,0,0]=4 2838 B11R0.29 CC(OCC=CC(=O)O)C(F)F 4947f42e8b0dd94cf6f13d7e6eaef8f9 [0,2,0,0,0,0|2,0,0]=4 2839 B11R0.29 CC(S)C(C)OC/C=C/C(=O)O 548a5dd203f9b5929dc44dc13e8a6b49 [0,2,0,0,0,0|1,0,0]=3 2840 B11R0.29 CC(S)C(C)OCC=CC(=O)O d53d2d9fed2bbece7f2439bd3b8a166c [0,2,0,0,0,0|1,0,0]=3 2841 B11R0.29 C[C@@H](NC/C=C/C(=O)O)C(F)F 97f62c9053e92d71611224fffe452a6d [0,2,0,0,0,0|2,0,0]=4 2842 B11R0.29 C[C@@H](NCC=CC(=O)O)C(F)F cf43ee2cdd385758aa6d8674d050afc9 [0,2,0,0,0,0|2,0,0]=4 2843 B11R0.29 C[C@@H](O)CCNCC(=O)C(=O)O 76aa9bfb091ce18b656b9765d45a43cf [0,2,0,0,0,0|1,0,1]=4 2844 B11R0.29 C[C@H](NC/C=C/C(=O)O)C(F)F feedd9876fa7fd0edc02419b5a3bbd97 [0,2,0,0,0,0|2,0,0]=4 2845 B11R0.29 C[C@H](NCC=CC(=O)O)C(F)F 558d3bd4ce82b0d0144a2597912e8690 [0,2,0,0,0,0|2,0,0]=4 2846 B11R0.29 C[C@H](O)CCNCC(=O)C(=O)O 62ac7b9722b1efcd113b3399cfb092f8 [0,2,0,0,0,0|1,0,1]=4 2847 B11R0.93 CCC(C)CC(C)NCC(=O)O 99245d4cb6eba394b062ff83d6199d2c [0,2,0,0,0,0|1,0,1]=4 2848 B11R0.106 CCC(C)CCNCC(=O)CO 9b6e868cfe204ef1bcdc76a7185f9ea4 [0,2,0,0,0,0|1,0,1]=4 2849 B11R0.106 CCC(C)CCNCC(=O)NO bb76f17ae5328a0d77f52fc0293ab918 [0,2,0,0,0,0|1,0,1]=4 2850 B11R0.106 CCC(C)CCNCC(=O)OC 55546b48ad802d407e44efd0891c77f0 [0,2,0,0,0,0|1,0,1]=4 2851 B11R0.106 CCC(C)CCOCC(=O)OC 04047e6aa53caf612115bdc052389946 [0,2,0,0,0,0|1,0,1]=4 2852 B11R0.106 CCC(C)NC/C=C/C(=O)OC 3c42b7e13311139d678cabdd45bf852c [0,2,0,0,0,0|1,0,0]=3 2853 B11R0.106 CCC(C)NC/C=C\C(=O)OC 1299dfad013466c17a80950cd93023f1 [0,2,0,0,0,0|1,0,0]=3 2854 B11R0.106 CCC(C)NCC=CC(=O)OC a7dd658ecf47805a4bc55393acc30209 [0,2,0,0,0,0|1,0,0]=3 2855 B11R0.106 CCC(C)OC/C=C/C(=O)OC 08978ad307e31a8960b045adf1a9c525 [0,2,0,0,0,0|1,0,0]=3 2856 B11R0.106 CCC(C)OC/C=C\C(=O)OC f0e60369dc6cb3b9ac7960a04b08853a [0,2,0,0,0,0|1,0,0]=3 2857 B11R0.106 CCC(C)OCC=CC(=O)OC c809ac93e56d10740f0320950fe46a90 [0,2,0,0,0,0|1,0,0]=3 2858 B11R0.106 CCC(S)CCOCC(=O)OC b15bbffda571936636baf3572a7482de [0,2,0,0,0,0|1,0,1]=4 2859 B11R0.106 CC[C@@H](C)NC/C=C/C(=O)OC f5dfdc3996288001348c24933c36e12b [0,2,0,0,0,0|1,0,0]=3 2860 B11R0.106 CC[C@@H](C)NC/C=C\C(=O)OC 964c71d3d080266c9170d2e1cb41ba59 [0,2,0,0,0,0|1,0,0]=3 2861 B11R0.106 CC[C@@H](C)NCC=CC(=O)OC 391893637cc2cd7fd395cf77c9bcbfdb [0,2,0,0,0,0|1,0,0]=3 2862 B11R0.106 CC[C@@H](C)OC/C=C/C(=O)OC 913770d9654f70a76ed58fc4df64f9b3 [0,2,0,0,0,0|1,0,0]=3 2863 B11R0.106 CC[C@@H](C)OC/C=C\C(=O)OC 2cb27495f5c78057acfa658e9cef31ca [0,2,0,0,0,0|1,0,0]=3 2864 B11R0.106 CC[C@@H](C)OCC=CC(=O)OC f946e3617eda40244925a37868ddbe19 [0,2,0,0,0,0|1,0,0]=3 2865 B11R0.106 CC[C@H](C)CCOCC(=O)OC bb5d1b620636b82254ccbb745e5db12b [0,2,0,0,0,0|1,0,1]=4 2866 B11R0.106 CC[C@H](C)NC/C=C/C(=O)OC 53f8e24663a3afb89b6985a9cc60b7f7 [0,2,0,0,0,0|1,0,0]=3 2867 B11R0.106 CC[C@H](C)NC/C=C\C(=O)OC f216cb7af4c1351c11c55c39a7242314 [0,2,0,0,0,0|1,0,0]=3 2868 B11R0.106 CC[C@H](C)NCC=CC(=O)OC 3af9d8f945b24bb39cd092f0ef3f436b [0,2,0,0,0,0|1,0,0]=3 2869 B11R0.106 CC[C@H](C)OC/C=C/C(=O)OC 36eb052444abde19985df1473b7683c5 [0,2,0,0,0,0|1,0,0]=3 2870 B11R0.106 CC[C@H](C)OC/C=C\C(=O)OC 9063a310b98cb79839e6f10890f8af5b [0,2,0,0,0,0|1,0,0]=3 2871 B11R0.106 CC[C@H](C)OCC=CC(=O)OC 114be4edf0a0c2351e237f1e827d4e70 [0,2,0,0,0,0|1,0,0]=3 2872 B11R0.106 COC(=O)/C=C/CNC(C)CO 294e681b8e26f741d86e8c124b5ba823 [0,2,0,0,0,0|2,0,0]=4 2873 B11R0.106 COC(=O)/C=C/CN[C@@H](C)CO bf6355acdd2110d89585adc13d36ba8f [0,2,0,0,0,0|2,0,0]=4 2874 B11R0.106 COC(=O)/C=C/CN[C@H](C)CO 68e39681492b4e5965d4eebb20178a36 [0,2,0,0,0,0|2,0,0]=4 2875 B11R0.106 COC(=O)/C=C/COC(C)CF c1c72c9e1ab8ed4b77014db07049c51d [0,2,0,0,0,0|2,0,0]=4 2876 B11R0.106 COC(=O)/C=C\CNC(C)CO d629ee49ff55521faf618d2d8828d14f [0,2,0,0,0,0|2,0,0]=4 2877 B11R0.106 COC(=O)/C=C\CN[C@@H](C)CO c4f319f2bdbf6643843c257c9c5d0c88 [0,2,0,0,0,0|2,0,0]=4 2878 B11R0.106 COC(=O)/C=C\CN[C@H](C)CO d230559e2e443bb85507044ede852dfb [0,2,0,0,0,0|2,0,0]=4 2879 B11R0.106 COC(=O)/C=C\COC(C)CF 53f7e0d0db66a15d38d212970292e901 [0,2,0,0,0,0|2,0,0]=4 2880 B11R0.106 COC(=O)C=CCNC(C)CO a6d199db00f747c3ba99bd4ce5ad5522 [0,2,0,0,0,0|2,0,0]=4 2881 B11R0.106 COC(=O)C=CCN[C@@H](C)CO 69beed72b89c2f969933c7a6bbbeab19 [0,2,0,0,0,0|2,0,0]=4 2882 B11R0.106 COC(=O)C=CCN[C@H](C)CO f89aeacae2a1ebbfda196ae7d2f88c00 [0,2,0,0,0,0|2,0,0]=4 2883 B11R0.106 COC(=O)C=CCOC(C)CF 5de4323245d967bbb1a98375c8017287 [0,2,0,0,0,0|2,0,0]=4 2884 B11R0.109 C=C(CNCC(C)CC)C(=O)O 9ef387352a99de27eaebd6ddc608c694 [0,2,0,0,0,0|1,0,1]=4 2885 B11R0.109 C=C(CNCC(O)CC)C(=O)O 132afc1f8964e9c866fb10b4b90d65a4 [0,2,0,0,0,0|1,0,1]=4 2886 B11R0.109 C=C(CNC[C@@H](C)CC)C(=O)O 161bbb7eedc7ed71f600ffb585f263ab [0,2,0,0,0,0|1,0,1]=4 2887 B11R0.109 C=C(CNC[C@H](O)CC)C(=O)O 1abcfa50a1f7d4fa70d91402f5e80ad4 [0,2,0,0,0,0|1,0,1]=4 2888 B11R0.109 C=C(COCC(C)CC)C(=O)O 6dc0e250f316a38f74e1fd7361b97588 [0,2,0,0,0,0|1,0,1]=4 2889 B11R0.109 C=C(COC[C@@H](C)CC)C(=O)O 2240a152c8b9b144bba459446b83993f [0,2,0,0,0,0|1,0,1]=4 2890 B11R0.109 C=C(COC[C@H](C)CC)C(=O)O 9d0cb8b8d5a5cbfb2e2b339b580fd383 [0,2,0,0,0,0|1,0,1]=4 2891 B11R0.109 CCC(C)CCNC(=O)C(=O)C 35b643ce8129563c1b62f5f061a00e8d [0,2,0,0,0,0|2,0,0]=4 2892 B11R0.109 CCC(C)CCNC(=O)C(=O)N b8ca290a5aa49ac7fb6ceb444ab18f7d [0,2,0,0,0,0|2,0,0]=4 2893 B11R0.109 CCC(C)CCNC(C)C(=O)O 6131f230f7db1b2da78223e5e1b5329b [0,2,0,0,0,0|1,0,1]=4 2894 B11R0.109 CCC(C)CCNC(O)C(=O)O ee02b45a4c484e4fc6127c38d3b6fc3e [0,2,0,0,0,0|1,0,1]=4 2895 B11R0.109 CCC(C)CCN[C@@H](C)C(=O)O 22d34f7816548d0b9584fa3407f3cbfa [0,2,0,0,0,0|1,0,1]=4 2896 B11R0.109 CCC(C)CCN[C@H](C)C(=O)O 1c6037a3d69c397d075a27439ed75bf6 [0,2,0,0,0,0|1,0,1]=4 2897 B11R0.109 CCC(C)CCOC(C)C(=O)O 706a7f78d50bc3355ad18842c25e8eef [0,2,0,0,0,0|1,0,1]=4 2898 B11R0.109 CCC(C)CCO[C@@H](C)C(=O)O 82dd2b248fcc3e67d9a413b1c6bc3d56 [0,2,0,0,0,0|1,0,1]=4 2899 B11R0.109 CCC(C)CCO[C@H](C)C(=O)O 00c11270135d9ec48b9bdb207bb65725 [0,2,0,0,0,0|1,0,1]=4 2900 B11R0.109 CCC(C)CNCC(=O)C(=O)O 7f0b47b19ffc90fdd602066489476fac [0,2,0,0,0,0|1,0,1]=4 2901 B11R0.109 CCC(C)COCC(=O)C(=O)O 21b1fa065af63c5fc7345875c0fafddd [0,2,0,0,0,0|1,0,1]=4 2902 B11R0.109 CCC(O)CNCC(=O)C(=O)O c752e3b4ccf6ede02d23427c36c91d4f [0,2,0,0,0,0|1,0,1]=4 2903 B11R0.109 CC[C@@H](C)COCC(=O)C(=O)O ec6cb1132726857da1892d948a586817 [0,2,0,0,0,0|1,0,1]=4 2904 B11R0.109 CC[C@@H](O)CNCC(=O)C(=O)O 8116f6cda1d864fc70b9344360887a3f [0,2,0,0,0,0|1,0,1]=4 2905 B11R0.109 CC[C@H](C)CNCC(=O)C(=O)O 3969971cf9ad4f65927af75f9f973a5c [0,2,0,0,0,0|1,0,1]=4 2906 B11R0.109 CC[C@H](C)COCC(=O)C(=O)O 867d59397f504a52a4a08caa4b87965c [0,2,0,0,0,0|1,0,1]=4 2907 B11R0.127 CC(C)(CF)NC/C=C/C(=O)O 923a52115e853689fc1cd4fedb9f79aa [0,2,0,0,0,0|2,0,0]=4 2908 B11R0.127 CC(C)(CF)NCC=CC(=O)O 0b81f8211d6ea21406218dc182133604 [0,2,0,0,0,0|2,0,0]=4 2909 B11R0.127 CC(C)(CO)NC/C=C/C(=O)O 1bc8469c34720d25fcda94bb059ff2b3 [0,2,0,0,0,0|2,0,0]=4 2910 B11R0.127 CC(C)(CO)NCC=CC(=O)O ac98310105bcacff068c23998ca2eaad [0,2,0,0,0,0|2,0,0]=4 2911 B11R0.127 CCC(C)(C)CCNCC(=O)O 4a548ae0e1a1deeb28b3f18755296df2 [0,2,0,0,0,0|1,0,1]=4 2912 B11R0.127 CCC(C)(C)CCOCC(=O)O 1f116ec9dd3e500114b9de1a9098f5fa [0,2,0,0,0,0|1,0,1]=4 2913 B11R0.127 CCC(C)(C)NC/C=C/C(=O)O e7c6694623c8cf78871bf7721942722f [0,2,0,0,0,0|1,0,0]=3 2914 B11R0.127 CCC(C)(C)NCC=CC(=O)O 437d6f948e63d56dd3a8368a0984c71a [0,2,0,0,0,0|1,0,0]=3 2915 B11R0.4 C=COC(=O)CNCCCCC e6c41c963035bf66eddcbe37fd9bae11 [0,2,0,0,0,0|1,0,1]=4 2916 B11R0.4 C=COC(=O)COCCCCC 70588743801f5a1d2b1ef51b7eaba200 [0,2,0,0,0,0|1,0,1]=4 2917 B11R0.4 CCCCC/C=C/C(=O)NC#N 332cc024b1f8da94c3ad345d1588b9a0 [0,2,0,0,0,0|1,0,0]=3 2918 B11R0.4 CCCCCCNC(=O)CCO c087b3675c7cb5dcfde9fa6dcbdb3e38 [0,2,0,0,0,0|1,0,1]=4 2919 B11R0.4 CCCCCCNC(=O)COC 714e5a0281995088b6f3f1f962d227b2 [0,2,0,0,0,0|1,0,1]=4 2920 B11R0.4 CCCCCCNC(=O)CON 66d10e7cd363894c05bf81dbb602d532 [0,2,0,0,0,0|1,0,1]=4 2921 B11R0.4 CCCCCNCC(=O)COC 502d17c7ceaf127c86a16e7809b966c6 [0,2,0,0,0,0|1,0,1]=4 2922 B11R0.4 CCCCCNCC(=O)NCO aaf498b21bb4f2353489f1e4167ee52e [0,2,0,0,0,0|1,0,1]=4 2923 B11R0.4 CCCCCNCC(=O)OCC 4304655bf379f4366dd088701cf7e21c [0,2,0,0,0,0|1,0,1]=4 2924 B11R0.4 CCCCCOCC(=O)OCC f64a848703599a93df3dbf25be548f27 [0,2,0,0,0,0|1,0,1]=4 2925 B11R0.4 CCCNC/C=C/C(=O)OCC 9227ee03ea2d9d1e18a696527b8f47b5 [0,2,0,0,0,0|1,0,0]=3 2926 B11R0.4 CCCNCC=CC(=O)OCC efd51b76be9a7133b70c19081424ce13 [0,2,0,0,0,0|1,0,0]=3 2927 B11R0.4 CCCOC/C=C/C(=O)OCC eb2db8ead3cadf07a1fb09848b46fde0 [0,2,0,0,0,0|1,0,0]=3 2928 B11R0.4 CCCOCC=CC(=O)OCC db7b1613a79a54a86c235feccadf2aff [0,2,0,0,0,0|1,0,0]=3 2929 B11R0.4 CCOC(=O)/C=C/CCOCF 239faabd858b725838ba3046d12609e0 [0,2,0,0,0,0|2,0,0]=4 2930 B11R0.4 CCOC(=O)/C=C/CNCCBr 2a26f20be81387fa67e2ea925d8b84c5 [0,2,0,0,0,0|2,0,0]=4 2931 B11R0.4 CCOC(=O)/C=C/CNCCF a5cefc5074ca44e269424398e4efd8c4 [0,2,0,0,0,0|2,0,0]=4 2932 B11R0.4 CCOC(=O)/C=C/CNCCI 989cc3e0b472a479431ff5d12dd19e21 [0,2,0,0,0,0|2,0,0]=4 2933 B11R0.4 CCOC(=O)/C=C/CNCCO dbfe33acf518820b5278548d432ecd9a [0,2,0,0,0,0|2,0,0]=4 2934 B11R0.4 CCOC(=O)/C=C/CNCCS 35e745693194345213fe75da8dc9ca10 [0,2,0,0,0,0|2,0,0]=4 2935 B11R0.4 CCOC(=O)/C=C/COCCF 8a36a94dff6509ae625f3979aabcb787 [0,2,0,0,0,0|2,0,0]=4 2936 B11R0.4 CCOC(=O)/C=C/COCCS b5a78421d787aa38dded226eb93b2fb5 [0,2,0,0,0,0|2,0,0]=4 2937 B11R0.4 CCOC(=O)/C=C/COCOC 3eeb47202b8b9559c5def792bb92fd35 [0,2,0,0,0,0|2,0,0]=4 2938 B11R0.4 CCOC(=O)/C=C/COCSC c240e0d3bea80c0cadd41756ba945bb8 [0,2,0,0,0,0|2,0,0]=4 2939 B11R0.4 CCOC(=O)C=CCNCCBr a3e8df669ef3586bf811173fbb3db590 [0,2,0,0,0,0|2,0,0]=4 2940 B11R0.4 CCOC(=O)C=CCNCCF bfa7ab8826b87a849204663eff3fb19c [0,2,0,0,0,0|2,0,0]=4 2941 B11R0.4 CCOC(=O)C=CCNCCI 73b4294510758fd8f255b7a6409d762b [0,2,0,0,0,0|2,0,0]=4 2942 B11R0.4 CCOC(=O)C=CCNCCO 1c9e2451f7e2e47513b56ee3646ca246 [0,2,0,0,0,0|2,0,0]=4 2943 B11R0.4 CCOC(=O)C=CCNCCS d8d40551a7c99112d5d8c5465ad4f49a [0,2,0,0,0,0|2,0,0]=4 2944 B11R0.4 CCOC(=O)C=CCOCCF ee38c207af2dcb0ac7d7b9155c115a7c [0,2,0,0,0,0|2,0,0]=4 2945 B11R0.4 CCOC(=O)C=CCOCCS 7b529ee43119e706c27c0fd9ceadb850 [0,2,0,0,0,0|2,0,0]=4 2946 B11R0.4 CCOC(=O)C=CCOCOC 453ab89ff74e5d90c41c958a4c7247cb [0,2,0,0,0,0|2,0,0]=4 2947 B11R0.4 CCOCC/C=C/C(=O)OCC 6cd123b336b09636d62c7ced1e41006a [0,2,0,0,0,0|1,0,0]=3 2948 B11R0.70 CCCCC(C)NCC(=O)CO 790473564bf1b3df6bb69086835cbd10 [0,2,0,0,0,0|1,0,1]=4 2949 B11R0.70 CCCCC(C)NCC(=O)NO e269c1513df1016deb0211389104bc26 [0,2,0,0,0,0|1,0,1]=4 2950 B11R0.70 CCCCC(C)NCC(=O)OC dea370713a261b9db8561fcfadd7d635 [0,2,0,0,0,0|1,0,1]=4 2951 B11R0.70 CCCCC(C)OCC(=O)OC df4e5fb162716db8a526500670efe27c [0,2,0,0,0,0|1,0,1]=4 2952 B11R0.70 CCCCC(O)CNC(=O)CO 23ce94bd5798ad1c8f3ff6df534c98ad [0,2,0,0,0,0|1,0,1]=4 2953 B11R0.70 CCCC[C@@H](C)NCC(=O)CO ab411550a427fd791d80ad8677da67b5 [0,2,0,0,0,0|1,0,1]=4 2954 B11R0.70 CCCC[C@@H](C)NCC(=O)OC f9c205165d4d34d6b16662bb8057658f [0,2,0,0,0,0|1,0,1]=4 2955 B11R0.70 CCCC[C@@H](C)OCC(=O)OC d46ed4e6b264e4da227d681e0b482c0f [0,2,0,0,0,0|1,0,1]=4 2956 B11R0.70 CCCC[C@H](C)OCC(=O)OC 005217b48658963e7d8277039bb97993 [0,2,0,0,0,0|1,0,1]=4 2957 B11R0.70 CCCNC(=O)/C=C/C(=O)OC c88f68689fb876b0b45d2661738493b3 [0,2,0,0,0,0|1,0,1]=4 2958 B11R0.70 CCCNC(=O)/C=C\C(=O)OC 027d77d7c1ca60acbec9b7968ce773ca [0,2,0,0,0,0|1,0,1]=4 2959 B11R0.70 CCCNC(=O)C=CC(=O)OC bb1152f238e803ef41fad456bbc86a36 [0,2,0,0,0,0|1,0,1]=4 2960 B11R0.142 C/C=C(\O)/C(=O)NCCCCC 69e77c9a50e5278631bc53967b136a68 [0,2,0,0,0,0|2,0,0]=4 2961 B11R0.142 C=C(CNCCCC)C(=O)OC 53c2de65fec0755bbe5ffc40b13b3a84 [0,2,0,0,0,0|1,0,1]=4 2962 B11R0.142 C=C(CO)C(=O)NCCCCC e0cf10e13f452e51e601677a22bda3a4 [0,2,0,0,0,0|2,0,0]=4 2963 B11R0.142 C=C(COCCCC)C(=O)OC 2670a0bb6e62b0bce720cea99a8bf9ce [0,2,0,0,0,0|1,0,1]=4 2964 B11R0.142 C=CC(=O)C(=O)NCCCCC 50dd88687870fc9d14f807fb9ea7d35e [0,2,0,0,0,0|2,0,0]=4 2965 B11R0.142 CCCCCCN(C)C(=O)CO ff6df48d23a3987ff88fad6f68fd8d1c [0,2,0,0,0,0|1,0,1]=4 2966 B11R0.142 CCCCCNC(=O)C(=O)CC 57b5d06cb5cb0aeeb53131d1de420ac6 [0,2,0,0,0,0|2,0,0]=4 2967 B11R0.142 CCCCCNC(=O)C(=O)CS 163f0902bca7f4f01d7cb2be13a88ed2 [0,2,0,0,0,0|1,1,0]=4 2968 B11R0.142 CCCCCNC(=O)C(=O)NC c78c9d2fe1d4b73dbfca99b93822bbc2 [0,2,0,0,0,0|2,0,0]=4 2969 B11R0.142 CCCCCNC(=O)C(=O)OC 8111b1e6fb8bd2a57b809499c8b8e317 [0,2,0,0,0,0|1,0,0]=3 2970 B11R0.142 CCCCCNC(C)C(=O)OC ceda658c32f2717705b5753d95254732 [0,2,0,0,0,0|1,0,1]=4 2971 B11R0.142 CCCCCN[C@@H](C)C(=O)OC a70c734a04042f9e2c29976744ca1db7 [0,2,0,0,0,0|1,0,1]=4 2972 B11R0.142 CCCCCN[C@H](C)C(=O)OC f83769fcf8a52442a99a180792631049 [0,2,0,0,0,0|1,0,1]=4 2973 B11R0.142 CCCCCOC(C)C(=O)OC c98b88bf4ee6dc23e9db5b7a644cb7b3 [0,2,0,0,0,0|1,0,1]=4 2974 B11R0.142 CCCCCO[C@@H](C)C(=O)OC afd8f96c1d28270745640effa22059a9 [0,2,0,0,0,0|1,0,1]=4 2975 B11R0.142 CCCCCO[C@H](C)C(=O)OC ed1b03b86456edaec6348184ff47bcfd [0,2,0,0,0,0|1,0,1]=4 2976 B11R0.142 CCCCNCC(=O)C(=O)OC d0af9a9a17c911307996c52c1b603cc9 [0,2,0,0,0,0|1,0,1]=4 2977 B11R0.142 CCCCOC=C(F)C(=O)OC 189c72d8bec22630bf0c9a5aa54af5a5 [0,2,0,0,0,0|1,0,0]=3 2978 B11R0.142 CCCCOCC(=O)C(=O)OC a3b07f302c91d3009f4c5596fb58b4c0 [0,2,0,0,0,0|1,0,1]=4 2979 B11R0.142 CCOCCNC(=O)C(=O)OC bf2cfe570b598298f5e38afc2a5602d8 [0,2,0,0,0,0|2,0,0]=4 2980 B11R0.142 CCOCOC=C(F)C(=O)OC f6b38d7e77d7e129d02a4e48cd65ae98 [0,2,0,0,0,0|2,0,0]=4 2981 B11R0.142 CCSCCNC(=O)C(=O)OC 1597b04073fc5f19ab39d0c07f841def [0,2,0,0,0,0|2,0,0]=4 2982 B11R0.142 COC(=O)C(=COCCCF)F 8c1bbbabc4106f312dc858db4bb7df0f [0,2,0,0,0,0|2,0,0]=4 2983 B11R0.142 COC(=O)C(=COCCCS)F 4aef3af84eb31075d4da7ff4207255df [0,2,0,0,0,0|2,0,0]=4 2984 B11R0.142 COC(=O)C(=COCCSC)F e583f7a9943a2470a2ef814af34bff6f [0,2,0,0,0,0|2,0,0]=4 2985 B11R0.142 COC(=O)C(=O)NCCCCCl 817bee88a320d8ee68ace162fc06a9bb [0,2,0,0,0,0|2,0,0]=4 2986 B11R0.142 COC(=O)C(=O)NCCCCO 512a36de52b401209959c5ed8048d217 [0,2,0,0,0,0|2,0,0]=4 2987 B11R0.142 COC(=O)C(=O)NCCCCS 507564bab49da6deda62a020f3742ed1 [0,2,0,0,0,0|2,0,0]=4 2988 B11R0.142 COC(=O)C(=O)NCCCSC a4452b56863abc93fc05255dabbbbccb [0,2,0,0,0,0|2,0,0]=4 2989 B11R0.142 COCCCNC(=O)C(=O)OC 8062a92297aefb724d49e296a71d2b1d [0,2,0,0,0,0|2,0,0]=4 2990 B11R0.142 COCCOC=C(F)C(=O)OC 283e12b3b1b44332b98c91add27d3858 [0,2,0,0,0,0|2,0,0]=4 2991 B11R0.76 C#CC(OCCCCC)C(=O)O 9ca6f34ca95e09307742c9e45a31d52b [0,2,0,0,0,0|1,0,1]=4 2992 B11R0.76 C/C=C(\OCCCCC)/C(=O)O 28c8941b059a041d723117ef4463f7af [0,2,0,0,0,0|1,0,0]=3 2993 B11R0.76 C/C=C(\OCCCCF)/C(=O)O 931ddd63c8e9ce2c22f3470eacaabaf1 [0,2,0,0,0,0|2,0,0]=4 2994 B11R0.76 C/C=C(\OCCCOC)/C(=O)O 7667b0141005b2e13fd4ccf1138d375f [0,2,0,0,0,0|2,0,0]=4 2995 B11R0.76 C/C=C(\OCCCSC)/C(=O)O 30d2cc2fce6114aa860f2ef84e51516c [0,2,0,0,0,0|2,0,0]=4 2996 B11R0.76 C/C=C(\OCCOCC)/C(=O)O 114298adb3dddbc5dee31b0da9354ac2 [0,2,0,0,0,0|2,0,0]=4 2997 B11R0.76 C/C=C(\OCCSCC)/C(=O)O 8d283bc394e29d74ca9b4ff704757a58 [0,2,0,0,0,0|2,0,0]=4 2998 B11R0.76 C=CC(NCCCCC)C(=O)O 9889e6be0c3ea70d81a80a056b6e0b05 [0,2,0,0,0,0|1,0,1]=4 2999 B11R0.76 C=C[C@H](NCCCCC)C(=O)O 618c7100ba2b9bcbd7ae3feed50c417a [0,2,0,0,0,0|1,0,1]=4 3000 B11R0.76 CCCCCNC(CC)C(=O)O ee35fb5ade654703c1bfadb1dc6af952 [0,2,0,0,0,0|1,0,1]=4 3001 B11R0.76 CCCCCNC(CCl)C(=O)O 68d0236193583c64a9422ce170e54f5f [0,2,0,0,0,0|1,0,1]=4 3002 B11R0.76 CCCCCNC(CF)C(=O)O 0d34e1255a6d4fdc61d8e01fcbde6b3e [0,2,0,0,0,0|1,0,1]=4 3003 B11R0.76 CCCCCNC(CO)C(=O)O bd269efe5ba2e4c76085b05bc866b460 [0,2,0,0,0,0|1,0,1]=4 3004 B11R0.76 CCCCCNC(CS)C(=O)O 0006af5ad0312370d8160ec2688a6a3e [0,2,0,0,0,0|1,0,1]=4 3005 B11R0.76 CCCCCN[C@@H](CC)C(=O)O 4f93ee7ecbf66e1ad95ad56c9805283f [0,2,0,0,0,0|1,0,1]=4 3006 B11R0.76 CCCCCN[C@@H](CCl)C(=O)O b7dd59b6009200ec5781136bdd726727 [0,2,0,0,0,0|1,0,1]=4 3007 B11R0.76 CCCCCN[C@@H](CO)C(=O)O eb5da792b6c53deb3635aa01d8d9922c [0,2,0,0,0,0|1,0,1]=4 3008 B11R0.76 CCCCCN[C@@H](CS)C(=O)O 7b4efa6c6a5884b87d09811af45c9d22 [0,2,0,0,0,0|1,0,1]=4 3009 B11R0.76 CCCCCN[C@H](CC)C(=O)O 9831815d87e6650dbc79d44712a20603 [0,2,0,0,0,0|1,0,1]=4 3010 B11R0.76 CCCCCN[C@H](CCl)C(=O)O 2915dfa1103b32ef2a043842f1ed2212 [0,2,0,0,0,0|1,0,1]=4 3011 B11R0.76 CCCCCN[C@H](CO)C(=O)O f854d361d8101fb50b52f966c0aa4099 [0,2,0,0,0,0|1,0,1]=4 3012 B11R0.76 CCCCCN[C@H](CS)C(=O)O 910fe54d2e1ae477b00d3a8807d9a465 [0,2,0,0,0,0|1,0,1]=4 3013 B11R0.76 CCCCCOC(CC)C(=O)O f6277b2fcdd6221a3700cb86b4a6e5a7 [0,2,0,0,0,0|1,0,1]=4 3014 B11R0.76 CCCCCO[C@@H](CC)C(=O)O 5429cc3a413ddac2c6e48187393149fb [0,2,0,0,0,0|1,0,1]=4 3015 B11R0.76 CCCCCO[C@H](CC)C(=O)O 9da6f96959940297813614910c6206da [0,2,0,0,0,0|1,0,1]=4 3016 B11R0.76 CCCCCO[C@H](CF)C(=O)O b4d7775d104ec88011b45fec5d6cb046 [0,2,0,0,0,0|1,0,1]=4 3017 B11R0.125 CCCCCNC(C)(C)C(=O)O 9aa1dbc4eb827782e24b494146fea67a [0,2,0,0,0,0|1,0,1]=4 3018 B11R0.163 C=C(CN(C)CCCC)C(=O)O 26e85ab7a9083ec4b4370596f77535bd [0,2,0,0,0,0|1,0,1]=4 3019 B11R0.163 CCCCC(C)NC(=O)C(=O)C e44ad25a7e8c3e9d7090ba0aba7c2db3 [0,2,0,0,0,0|2,0,0]=4 3020 B11R0.163 CCCCC(C)NC(=O)C(=O)N 240f10829adba2b3837f7a3413e559b5 [0,2,0,0,0,0|2,0,0]=4 3021 B11R0.163 CCCCC(C)NC(C)C(=O)O 7ab30410cae7b55db37b9f951e3a275a [0,2,0,0,0,0|1,0,1]=4 3022 B11R0.163 CCCCC(C)NC(O)C(=O)O e9c7e5720c804ec4f8b82c73ae27526c [0,2,0,0,0,0|1,0,1]=4 3023 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 443166eb17a429278ee7aa872ae18b9a [0,2,0,0,0,0|1,0,1]=4 3024 B11R0.163 CCCCC(C)N[C@H](C)C(=O)O ff8c336f577b29aadb47a936c6a57f9a [0,2,0,0,0,0|1,0,1]=4 3025 B11R0.163 CCCCN(C)CC(=O)C(=O)O b1c24cf4d4d71682bb41599c7986d63f [0,2,0,0,0,0|1,0,1]=4 3026 B11R0.163 CCCC[C@@H](C)NC(=O)C(=O)C 524fe0e89bba6273414cb7e0eee7f6ae [0,2,0,0,0,0|2,0,0]=4 3027 B11R0.163 CCCC[C@@H](C)NC(=O)C(=O)N 9a4822ef2d5593e5c34c9e9a758aead4 [0,2,0,0,0,0|2,0,0]=4 3028 B11R0.163 CCCC[C@@H](C)NC(C)C(=O)O 5ddc4611fb5ea16d204fd099e89a5629 [0,2,0,0,0,0|1,0,1]=4 3029 B11R0.163 CCCC[C@@H](C)N[C@@H](C)C(=O)O 4344ee6914c0b51b37a7b57371781b62 [0,2,0,0,0,0|1,0,1]=4 3030 B11R0.163 CCCC[C@@H](C)N[C@H](C)C(=O)O 4b29f0f4dbe8bf6c2ae1fbf3e9014f6b [0,2,0,0,0,0|1,0,1]=4 3031 B11R0.85 CC(C)CCC(C)NCC(=O)O f55a261811fdde29b8d6fb25b74888e7 [0,2,0,0,0,0|1,0,1]=4 3032 B11R0.85 CC(C)CCC(C)OCC(=O)O b636f97caf878514ec37901c2ee96154 [0,2,0,0,0,0|1,0,1]=4 3033 B11R0.164 C#CC(CCCC)OCC(=O)O 7e7da104e7c635ef6b462bb68a7a863d [0,2,0,0,0,0|1,0,1]=4 3034 B11R0.164 C=CC(CCCC)OCC(=O)O 21b499b5330ca5eea066443100897b22 [0,2,0,0,0,0|1,0,1]=4 3035 B11R0.164 CCCCC(CC)NCC(=O)O 0a9ba9468e01bc05f3df3c050759f056 [0,2,0,0,0,0|1,0,1]=4 3036 B11R0.164 CCCCC(CC)OCC(=O)O 81545feb4b6c0500506b0979d2ee1ac0 [0,2,0,0,0,0|1,0,1]=4 3037 B11R0.164 CCCCC(CO)NCC(=O)O 0ac86f318b4ada3badd347348f4357d6 [0,2,0,0,0,0|1,0,1]=4 3038 B11R0.164 CCCC[C@@H](CO)NCC(=O)O a2799527c20df37f76895d5212d240b3 [0,2,0,0,0,0|1,0,1]=4 3039 B11R0.164 CCCC[C@H](CO)NCC(=O)O 5410b6543adf46dbfb9e04d3e69919ba [0,2,0,0,0,0|1,0,1]=4 3040 B9R1.4 CCC1CCN1CC=O aee48a138645dd7a756ef2b78311f413 [1,0,0,1,0,0|1,0,1]=4 3041 B9R1.12 CCCOc1ccco1 892ad9a1c4eda1b2e579e57ab16386c6 [1,0,0,1,0,0|1,0,1]=4 3042 B9R1.12 CCNCc1ccco1 4817cc97570de733e3d59f88500c3b37 [1,0,0,1,0,0|1,0,1]=4 3043 B9R1.12 CCOCc1ccco1 e774f039f2ee21ec2e9d047bdeb979aa [1,0,0,1,0,0|1,0,1]=4 3044 B9R1.12 O=CCNC1CCCC1 5c29f4b53ebb87f60f2e590cae79d70e [1,0,0,1,0,0|1,0,1]=4 3045 B9R1.12 O=CCOC1CCCC1 a6adf3d3a9898d822d20d244584a5d22 [1,0,0,1,0,0|1,0,1]=4 3046 B9R1.12 O=CNCC1CCCC1 07bc0016cbba20adfd4b5def8fc2be28 [1,0,0,1,0,0|1,0,1]=4 3047 B9R1.14 CCC1CCCN1C=O 9bfd3104fb9bd3ec80e56f7f40a87d09 [1,0,0,1,0,0|1,0,1]=4 3048 B9R1.14 CC[C@@H]1CCCN1C=O da9d0e05329f820d63cc29621bd7430d [1,0,0,1,0,0|1,0,1]=4 3049 B9R1.15 CC1CCCCN1C=O 5edffbe7b981e62d376cf463cc81b5a0 [1,0,0,1,0,0|1,0,1]=4 3050 B9R1.15 C[C@@H]1CCCCN1C=O a3eec1c9235da9d654fdc4f1cd619716 [1,0,0,1,0,0|1,0,1]=4 3051 B9R1.15 C[C@H]1CCCCN1C=O ca092eb4253ff1332fa8641d72ce7d5e [1,0,0,1,0,0|1,0,1]=4 3052 B9R1.16 CC1CC1COCC=O e38c4912a5bd244cfef6cdfcd630eadf [1,0,0,1,0,0|1,0,1]=4 3053 B9R1.16 CC1CC1NC/C=C\O 9a9e5e2582457eba9ff0336079c77c3b [1,0,0,1,0,0|1,0,1]=4 3054 B9R1.16 C[C@@H]1C[C@H]1COCC=O 7ae74dfc03906b5b41f7f9d5bbdb763b [1,0,0,1,0,0|1,0,1]=4 3055 B9R1.16 C[C@H]1C[C@@H]1COCC=O b02f0ce03a967d9b5a7484bce5693d9b [1,0,0,1,0,0|1,0,1]=4 3056 B9R1.16 C[C@H]1C[C@H]1COCC=O c17ac892c3cf503bcc9858e0bcb45921 [1,0,0,1,0,0|1,0,1]=4 3057 B9R1.17 O/C=C\CNC1CCC1 f40d8cab44d9002b94a78cf51c0df6fd [1,0,0,1,0,0|1,0,1]=4 3058 B9R1.17 O=CCNCC1CCC1 d9fc727438c262514562cfe2c9442588 [1,0,0,1,0,0|1,0,1]=4 3059 B9R1.17 O=CCOCC1CCC1 df39e2693a3babd07be9a7e868d03e5c [1,0,0,1,0,0|1,0,1]=4 3060 B9R1.17 O=CNCCC1CCC1 e202ec16281bf0e218ffc459925c1fd6 [1,0,0,1,0,0|1,0,1]=4 3061 B9R1.33 CC1CCCN1CC=O 27928a5411863f8bf406ba8c60b72aa7 [1,0,0,1,0,0|1,0,1]=4 3062 B9R1.33 C[C@@H]1CCCN1CC=O 628393964742a01eee790b1703c7f48c [1,0,0,1,0,0|1,0,1]=4 3063 B9R1.33 C[C@H]1CCCN1CC=O 7489760bd07ab3dac73fc24ef598634e [1,0,0,1,0,0|1,0,1]=4 3064 B9R1.39 C[C@@H]1CC[C@@H]1NCC=O 010d1f07421a6ab7666be29e45bdb933 [1,0,0,1,0,0|1,0,1]=4 3065 B9R1.39 C[C@@H]1CC[C@H]1NCC=O 5bdea5e6a123d69d5ec9a77ce96f151b [1,0,0,1,0,0|1,0,1]=4 3066 B9R1.83 O/C=C\CNCC1CC1 d334ec2882453580e7bf1aa7c14449be [1,0,0,1,0,0|1,0,1]=4 3067 B9R1.83 O=C/C=C/COC1CC1 5050d9c04a8a89aff1250a7e213af3c5 [1,0,0,1,0,0|1,0,0]=3 3068 B9R1.83 O=CCNCCC1CC1 c081918168c1dc9e5f44e991519eecf1 [1,0,0,1,0,0|1,0,1]=4 3069 B9R1.83 O=CCOCCC1CC1 e95c5fc4c9f9574f689822c866eeb674 [1,0,0,1,0,0|1,0,1]=4 3070 B9R1.89 O=CN1CCCCCC1 4a543573026aecbb7f088b43cea970d5 [1,0,0,1,0,0|1,0,1]=4 3071 B9R1.7 CCOC1C=CC(=O)C1 cf7dcc6d5bb52c2dbe964e53d7a14001 [1,0,0,1,0,0|2,0,0]=4 3072 B9R1.7 CCOC1C=CC(=O)O1 29891b23a7e06859f351008a27b82b00 [1,0,0,1,0,0|1,0,0]=3 3073 B9R1.7 CCO[C@H]1C=CC(=O)C1 b0e331b85aadab1f09429088fdf1cc58 [1,0,0,1,0,0|2,0,0]=4 3074 B9R1.7 O=C1C=CC(O1)OCF 854166bbbf25e5d5b8db2221f93769c5 [1,0,0,1,0,0|2,0,0]=4 3075 B9R1.13 CC(=O)NC1CCCC1 a2d6bc9cfdeb39e26a278a42ee1d6324 [1,0,0,1,0,0|2,0,0]=4 3076 B9R1.41 CC(=O)N1CCCC1C f3ed72e102a18b3ca7365fff10aeb6f8 [1,0,0,1,0,0|2,0,0]=4 3077 B9R1.41 CC(=O)N1CCC[C@@H]1C 45c9778b44581f9933633398df3c02d2 [1,0,0,1,0,0|2,0,0]=4 3078 B9R1.41 CC(=O)N1CCC[C@H]1C 77e41bde24aa3c51a340cfebe6f455b1 [1,0,0,1,0,0|2,0,0]=4 3079 B9R1.46 CC1CC1NCC(=O)O 3bfaf8234ce2a2ce9175fc2c1a135a09 [1,0,0,1,0,0|1,0,1]=4 3080 B9R1.67 CC(=O)N[C@@H]1CC[C@H]1C 5c49b9b8f08f59f55b778fc02f7c64d4 [1,0,0,1,0,0|2,0,0]=4 3081 B9R1.67 CC(=O)N[C@H]1CC[C@H]1C c339870f892b73bf50fa9d649fc76de5 [1,0,0,1,0,0|2,0,0]=4 3082 B9R1.84 CC(=O)NCC1CCC1 49ba76efa54494cc240e1d7dd1323f42 [1,0,0,1,0,0|2,0,0]=4 3083 B9R1.84 O=C(O)CCN1CCC1 c7456b9216b4090bb9138555bed1407a [1,0,0,1,0,0|1,0,1]=4 3084 B9R1.84 O=C(O)CNC1CCC1 cd102a6a388082590edc8eed5830f2b0 [1,0,0,1,0,0|1,0,1]=4 3085 B9R1.84 O=C(O)COC1CCC1 6ea2b5eaf8c15cb47b19add287442093 [1,0,0,1,0,0|1,0,1]=4 3086 B9R1.85 CC(=O)NCCC1CC1 e17912b5d20abd22f2eb1736360bbd32 [1,0,0,1,0,0|2,0,0]=4 3087 B9R1.85 O=C(O)CCNC1CC1 d7e51b454c1ee077c45877f37cbd9dbc [1,0,0,1,0,0|1,0,1]=4 3088 B9R1.85 O=C(O)CCOC1CC1 920ebb5ee7c45a619a1db975c9276d90 [1,0,0,1,0,0|1,0,1]=4 3089 B9R1.85 O=C(O)CNCC1CC1 8970904c8ad5ee5911fea5cdeb7d255c [1,0,0,1,0,0|1,0,1]=4 3090 B9R1.85 O=C(O)COCC1CC1 bc7f43afa7576a49960c4f48c84cf235 [1,0,0,1,0,0|1,0,1]=4 3091 B9R1.96 CCC1CCN1C(=O)C f8a8c2660e185a53a38bd009b5fd9a1e [1,0,0,1,0,0|2,0,0]=4 3092 B9R1.96 CCN1CCC1C(=O)O ca0bbfd670281167636f7e4dd4cc56bf [1,0,0,1,0,0|1,0,1]=4 3093 B9R1.96 CCN1CC[C@@H]1C(=O)O e809f9b39a76e5f73ee720d520f2d8da [1,0,0,1,0,0|1,0,1]=4 3094 B9R1.96 CCN1CC[C@H]1C(=O)O 90d4ef3b77b2d2edfd444739e71a1146 [1,0,0,1,0,0|1,0,1]=4 3095 B11R1.90 CC1CCCC1OCC(=O)O 8b302fdcccb2e5b0cbc05eb78f61b043 [0,1,0,1,0,0|0,0,2]=4 3096 B11R1.90 CC1CCCN1CCC(=O)O 5dcf506a51a046fb0501db2e405b0462 [0,1,0,1,0,0|0,0,2]=4 3097 B11R1.90 CC1COCC1OCC(=O)O df066681c986e1d0ed881ddaea060f92 [0,1,0,1,0,0|1,0,1]=4 3098 B11R1.90 C[C@@H]1CCCN1CCC(=O)O 96dc0a47aa28ac6e47d8d4bf1e71e990 [0,1,0,1,0,0|0,0,2]=4 3099 B11R1.90 C[C@@H]1CCC[C@@H]1OCC(=O)O 735a45401cd3b3bbab8ed3fa02f5be83 [0,1,0,1,0,0|0,0,2]=4 3100 B11R1.90 C[C@@H]1CCC[C@H]1OCC(=O)O 1c7967d6457face00634b93870635bd7 [0,1,0,1,0,0|0,0,2]=4 3101 B11R1.90 C[C@@H]1COC[C@@H]1OCC(=O)O aaaaed8b059f1ced6e228d2f6e718e67 [0,1,0,1,0,0|1,0,1]=4 3102 B11R1.90 C[C@H]1CCCN1CCC(=O)O 15177369ccddfffa267e0f1ea23ee8e6 [0,1,0,1,0,0|0,0,2]=4 3103 B11R1.90 C[C@H]1CCC[C@@H]1OCC(=O)O 1011d83d813a08e7d91c46348c016f66 [0,1,0,1,0,0|0,0,2]=4 3104 B11R1.90 C[C@H]1CCC[C@H]1OCC(=O)O 41f392f14989d15a78b37a9a4a93f045 [0,1,0,1,0,0|0,0,2]=4 3105 B11R1.90 C[C@H]1COC[C@@H]1OCC(=O)O 3c1c50f9789739472bd1035efc9db00e [0,1,0,1,0,0|1,0,1]=4 3106 B11R1.90 C[C@H]1COC[C@H]1OCC(=O)O fd7d1abc48621d493bf9bddf84293b38 [0,1,0,1,0,0|1,0,1]=4 3107 B11R1.90 O=C(O)CNC1CCCC1O 4ebe649c114bd55216e6381c318bf421 [0,1,0,1,0,0|1,0,1]=4 3108 B11R1.90 O=C(O)CN[C@@H]1CCC[C@@H]1O 4e3c6cfcceaae1d8e09f0b43011ac18b [0,1,0,1,0,0|1,0,1]=4 3109 B11R1.90 O=C(O)CN[C@@H]1CCC[C@H]1O 0004ed21fdc2e98760db8a34ad8da636 [0,1,0,1,0,0|1,0,1]=4 3110 B11R1.90 O=C(O)CN[C@H]1CCC[C@@H]1O 83d9e7b37b03d01fa38520665b96bcfa [0,1,0,1,0,0|1,0,1]=4 3111 B11R1.90 O=C(O)CN[C@H]1CCC[C@H]1O 489d3fcb2f42477c58cba9671541d376 [0,1,0,1,0,0|1,0,1]=4 3112 B11R1.90 O=C(O)CO[C@@H]1CCC[C@H]1F b444918d808f918451551dfb25df770b [0,1,0,1,0,0|1,0,1]=4 3113 B11R1.120 CCCC1CN(C1)CC(=O)O fba412a0f82a1ee01a04aa56e0be3704 [0,1,0,1,0,0|1,0,1]=4 3114 B11R1.130 COC[C@@H]1C[C@@H]1NCC(=O)O 8a855f44292adb9bb1627cd62faafe14 [0,1,0,1,0,0|1,0,1]=4 3115 B11R1.130 COC[C@H]1C[C@@H]1NCC(=O)O 464c962d51a08e4a2bd3e6501c20c7ad [0,1,0,1,0,0|1,0,1]=4 3116 B11R1.154 CC1CC(C1)CNCC(=O)O d3139215aa66f818e5323ca9ce866f0e [0,1,0,1,0,0|1,0,1]=4 3117 B11R1.154 CC1CC(C1)COCC(=O)O 9ce845a05b390ab993e463fcdaf015e8 [0,1,0,1,0,0|1,0,1]=4 3118 B11R1.154 C[C@H]1C[C@@H](C1)COCC(=O)O db532a939327caf51a3e4e2529d3301d [0,1,0,1,0,0|1,0,1]=4 3119 B11R1.154 O=C(O)/C=C/CN1CC(C1)F f9e2f092af405a34935b9f4330652c97 [0,1,0,1,0,0|1,0,0]=3 3120 B11R1.154 O=C(O)/C=C/CN1CC(C1)O 1ed05a71d4bc737199a3786c607102d4 [0,1,0,1,0,0|1,0,0]=3 3121 B11R1.154 O=C(O)C=CCN1CC(C1)F eb6052d5086bf7cf5ed8ed54ef618a47 [0,1,0,1,0,0|1,0,0]=3 3122 B11R1.154 O=C(O)C=CCN1CC(C1)O 3c4898c2561753cb6b91bc4e891181d4 [0,1,0,1,0,0|1,0,0]=3 3123 B11R1.154 O=C(O)CNCC1CC(C1)O a4219adf67f65d471d004e2ce7e43b6f [0,1,0,1,0,0|1,0,1]=4 3124 B11R1.154 O=C(O)CNC[C@H]1C[C@@H](C1)O bcaf666f5b2e481fae22c3cee4cf9618 [0,1,0,1,0,0|1,0,1]=4 3125 B11R1.154 O=C(O)CNC[C@H]1C[C@H](C1)F 985d7f6b3d0bf71fdb30f42ee51b1692 [0,1,0,1,0,0|1,0,1]=4 3126 B11R1.154 O=C(O)CNC[C@H]1C[C@H](C1)O af99f916a1c8d73b02cc19a650972d1c [0,1,0,1,0,0|1,0,1]=4 3127 B11R1.154 O=C(O)COCC1CC(C1)F 1b95253775b0b5446d67e19d9066eac7 [0,1,0,1,0,0|1,0,1]=4 3128 B11R1.154 O=C(O)COC[C@H]1C[C@H](C1)F 6cda81c33e9ac5cbca18a6e46b757fec [0,1,0,1,0,0|1,0,1]=4 3129 B11R1.157 CC1CCCN(C1)CC(=O)O d4ebd15284a303f50f85ba6b4d90a793 [0,1,0,1,0,0|1,0,1]=4 3130 B11R1.157 C[C@@H]1CCCN(C1)CC(=O)O 870d6379068dbf78f34bb30d36be26d2 [0,1,0,1,0,0|1,0,1]=4 3131 B11R1.157 C[C@H]1CCCN(C1)CC(=O)O 4c02b5b686cf18ffb51df551db136b7c [0,1,0,1,0,0|1,0,1]=4 3132 B11R1.157 O=C(O)CN1CCCC(C1)F df26d481d723ae859133b1dd45263f8b [0,1,0,1,0,0|1,0,1]=4 3133 B11R1.157 O=C(O)CN1CCCC(C1)O 8a9081ae81f569ea0a4f01bce3eedfa1 [0,1,0,1,0,0|1,0,1]=4 3134 B11R1.157 O=C(O)CN1CCC[C@@H](C1)F 3877c0bc29adfde3b5f9efc3b6d550a4 [0,1,0,1,0,0|1,0,1]=4 3135 B11R1.157 O=C(O)CN1CCC[C@@H](C1)O ff18856f3d9fccfbb76f3f7e4a4cf5e0 [0,1,0,1,0,0|1,0,1]=4 3136 B11R1.157 O=C(O)CN1CCC[C@H](C1)F af0bc4e19c0db595d39589bdbc4a3cc0 [0,1,0,1,0,0|1,0,1]=4 3137 B11R1.157 O=C(O)CN1CCC[C@H](C1)O 50428b9f90feb50aec1d3ab69a75f460 [0,1,0,1,0,0|1,0,1]=4 3138 B11R1.172 O=C(O)/C=C/CN1CC=CC1 170122dfed4d86a1f9ca47a44a9fd0da [0,1,0,1,0,0|0,0,2]=4 3139 B11R1.172 O=C(O)/C=C/CN1CCSC1 d412ae0cc8da611ddbfb710a2e386027 [0,1,0,1,0,0|1,0,0]=3 3140 B11R1.172 O=C(O)C=CCN1CC=CC1 811212f83cce3a096dd998ecb22c717f [0,1,0,1,0,0|0,0,2]=4 3141 B11R1.172 O=C(O)C=CCN1CCSC1 b77747584fac9c90f5546d63db37bc26 [0,1,0,1,0,0|1,0,0]=3 3142 B11R1.172 O=C(O)CCNC1CCCC1 cc87dbfa2423c2d2dc1bbd7e31f32e66 [0,1,0,1,0,0|0,0,2]=4 3143 B11R1.172 O=C(O)CCOC1CCCC1 a78608f01bf2d90213806fa026bc85f0 [0,1,0,1,0,0|0,0,2]=4 3144 B11R1.172 O=C(O)CNCC1CCCC1 a418b6153ed46a2a6f91546a4f64b56b [0,1,0,1,0,0|0,0,2]=4 3145 B11R1.172 O=C(O)CNCC1CCCO1 ed95df039766cd0b443288b0d49fcc55 [0,1,0,1,0,0|1,0,1]=4 3146 B11R1.172 O=C(O)CNCC1CCOC1 6cbd8805e5855fd0869b3b133fb694f8 [0,1,0,1,0,0|1,0,1]=4 3147 B11R1.172 O=C(O)CNC[C@@H]1CCCO1 ac3327b32b8483564ff7dcddc1162c1c [0,1,0,1,0,0|1,0,1]=4 3148 B11R1.172 O=C(O)CNC[C@@H]1CCOC1 1730730e90fb2d8921db1dbbde54faff [0,1,0,1,0,0|1,0,1]=4 3149 B11R1.172 O=C(O)CNC[C@H]1CCCO1 83b5533196926e02a8eabf9074faf9bb [0,1,0,1,0,0|1,0,1]=4 3150 B11R1.172 O=C(O)CNC[C@H]1CCOC1 0518b052e52f0cb8f88bd0ff6a770c30 [0,1,0,1,0,0|1,0,1]=4 3151 B11R1.172 O=C(O)COCC1CCCC1 1a12f19c6aab26de4be4dc52bf7172ec [0,1,0,1,0,0|0,0,2]=4 3152 B11R1.172 O=C(O)COCC1CCCO1 60f7f5fc7516ca8e919f9c571b279434 [0,1,0,1,0,0|1,0,1]=4 3153 B11R1.172 O=C(O)COCC1CCCS1 d30770f71ca4fd8ba75025e47026df5a [0,1,0,1,0,0|1,0,1]=4 3154 B11R1.172 O=C(O)COCC1CCOC1 f9f502ad07b4fe7318099b02c84b0b1f [0,1,0,1,0,0|1,0,1]=4 3155 B11R1.172 O=C(O)COCN1CCCC1 56f37ea3411363410de6cf53e5955d8f [0,1,0,1,0,0|1,0,1]=4 3156 B11R1.172 O=C(O)COC[C@@H]1CCCO1 363d7d055425870722a7d41976be2cde [0,1,0,1,0,0|1,0,1]=4 3157 B11R1.172 O=C(O)COC[C@@H]1CCOC1 ea64f07338e6ca2e8ab70dbe92e4d30f [0,1,0,1,0,0|1,0,1]=4 3158 B11R1.172 O=C(O)COC[C@H]1CCCO1 c883797efa974dbe4ef25cc3eb893b66 [0,1,0,1,0,0|1,0,1]=4 3159 B11R1.172 O=C(O)COC[C@H]1CCOC1 1b9f5a67b774f6171a273a0ccb0abfcb [0,1,0,1,0,0|1,0,1]=4 3160 B11R1.241 O=C(O)CNCC1CC1CO 0294a75cdacc51bee28786e480a57820 [0,1,0,1,0,0|1,0,1]=4 3161 B11R1.645 C[C@@H]1C[C@@H](CN1CC(=O)O)F ebbd0d1de71861dad3967fd9a3a5d96a [0,1,0,1,0,0|1,0,1]=4 3162 B11R1.645 C[C@@H]1C[C@@H](CN1CC(=O)O)O 3fe4b39a5fca8a98740f08829eab5e27 [0,1,0,1,0,0|1,0,1]=4 3163 B11R1.645 C[C@@H]1C[C@H](CN1CC(=O)O)F 3ff03b1e21d5753e82033b5998f0721f [0,1,0,1,0,0|1,0,1]=4 3164 B11R1.645 C[C@@H]1C[C@H](CN1CC(=O)O)O 9a0384689eb4114a280e838d1b6c063d [0,1,0,1,0,0|1,0,1]=4 3165 B11R1.645 C[C@H]1C[C@@H](CN1CC(=O)O)F 6f6d8a99b15989539726576089efb8fd [0,1,0,1,0,0|1,0,1]=4 3166 B11R1.645 C[C@H]1C[C@@H](CN1CC(=O)O)O cfe427217c99af61255cba0dbb6110c9 [0,1,0,1,0,0|1,0,1]=4 3167 B11R1.645 C[C@H]1C[C@H](CN1CC(=O)O)F 2e149e53b9d51510f8b46e666f489f9a [0,1,0,1,0,0|1,0,1]=4 3168 B11R1.645 C[C@H]1C[C@H](CN1CC(=O)O)O ae29a23d23808038cb09266e20912ef7 [0,1,0,1,0,0|1,0,1]=4 3169 B11R1.720 CN(C/C=C/C(=O)O)C1CC1 49ab1e312e0e16fb515f1e14a0ee3332 [0,1,0,1,0,0|1,0,0]=3 3170 B11R1.720 CN(CC=CC(=O)O)C1CC1 e7bcce1d3aa9a95ccda6e6b1a199abfd [0,1,0,1,0,0|1,0,0]=3 3171 B11R1.720 O=C(O)CNCC(O)C1CC1 c93323595de77df788589946c3295483 [0,1,0,1,0,0|1,0,1]=4 3172 B11R1.924 CC1(CCC1)CNCC(=O)O e44c0e0815156ad54f43f1d2c8779904 [0,1,0,1,0,0|1,0,1]=4 3173 B11R1.924 CC1(CCC1)COCC(=O)O d8ccff4908cf2c1192bc97ce562b7ff1 [0,1,0,1,0,0|1,0,1]=4 3174 B11R1.924 O=C(O)CNCC1(CCC1)O ff89372bcab915261826ba15aad63472 [0,1,0,1,0,0|1,0,1]=4 3175 B11R1.924 O=C(O)COCC1(CCC1)F 0358235fd0e452fdb2364dbae5ca7303 [0,1,0,1,0,0|1,0,1]=4 3176 B11R1.24 CCCCN1CC=CC(C1)O 2f1c4f8e154eda95b2d529f2c052392e [0,1,0,1,0,0|1,0,1]=4 3177 B11R1.27 C#CCCOC1C=CC(=O)O1 4a31747c657749e8e4b2773804b05aa0 [0,1,0,1,0,0|0,0,2]=4 3178 B11R1.27 C#CCOCC1C=CC(=O)O1 218152fe512f72c7d8c7b4e42b84c612 [0,1,0,1,0,0|0,0,2]=4 3179 B11R1.27 C#CCOC[C@@H]1C=CC(=O)O1 8842cc51bab49e0341678f555097cd06 [0,1,0,1,0,0|0,0,2]=4 3180 B11R1.27 C/C=C/COC1C=CC(=O)O1 7a9ce94f7e111bf0cf191799d1c6d9ae [0,1,0,1,0,0|0,0,2]=4 3181 B11R1.27 C/C=C\COC1C=CC(=O)O1 833f2d8c3bb753d6d750941be8422f30 [0,1,0,1,0,0|0,0,2]=4 3182 B11R1.27 C=CCCOC1C=CC(=O)O1 7daeb714d54784ea037165bfc67accb0 [0,1,0,1,0,0|0,0,2]=4 3183 B11R1.27 C=CCOCC1C=CC(=O)O1 988f8902bdb8403aeb0ebf156ee334d9 [0,1,0,1,0,0|0,0,2]=4 3184 B11R1.27 C=CCOC[C@@H]1C=CC(=O)O1 45fba30009abd20c1a3a38431aee3e1f [0,1,0,1,0,0|0,0,2]=4 3185 B11R1.27 CCCCN[C@@H]1C=C[C@@H](C1)O f75fe2d7b95c51c96fe429e8ec09f50a [0,1,0,1,0,0|1,0,1]=4 3186 B11R1.27 CCCCN[C@H]1C=C[C@H](C1)O 4a8a06fc2f9b31bf81ea5081fb584f60 [0,1,0,1,0,0|1,0,1]=4 3187 B11R1.27 CCCCNc1cc(=O)[nH]o1 ce2d61c31e6eb4659aed8a9e34b3e044 [0,1,0,1,0,0|1,0,0]=3 3188 B11R1.27 CCCCNc1cc(no1)C 62f822a78adfb1cf4336a71af35108dc [0,1,0,1,0,0|2,0,0]=4 3189 B11R1.27 CCCCNc1cc(on1)C bb2a1519a361d1f0c867f93d83c67ac8 [0,1,0,1,0,0|2,0,0]=4 3190 B11R1.27 CCCCNc1ccc(o1)C 54a31b1b1db1c0b2c103168592fd1e58 [0,1,0,1,0,0|1,0,1]=4 3191 B11R1.27 CCCCNc1cnc(o1)C d92f7841ae28c142c5fb98f09d40c4a1 [0,1,0,1,0,0|2,0,0]=4 3192 B11R1.27 CCCCNc1ncc(o1)C 738dc8ef97abdc62d7575db3055ea12b [0,1,0,1,0,0|2,0,0]=4 3193 B11R1.27 CCCCNc1noc(=O)[nH]1 80b5628ca38186f1f5397bc8631eb502 [0,1,0,1,0,0|2,0,0]=4 3194 B11R1.27 CCCCOC1=CC(=O)CC1 1d9caa8fcfe9112b183be080df047c84 [0,1,0,1,0,0|2,0,0]=4 3195 B11R1.27 CCCCOC1=CC(=O)NC1 507b6e2879c3c637d7407c6f8dfb267a [0,1,0,1,0,0|2,0,0]=4 3196 B11R1.27 CCCCOC1=CC(=O)OC1 edc75f11eb15f787d507aace40f5818e [0,1,0,1,0,0|1,0,0]=3 3197 B11R1.27 CCCCOC1=COC(=O)C1 02660e1f2769e98a0d8f56d95e1b495b [0,1,0,1,0,0|1,0,1]=4 3198 B11R1.27 CCCCOC1C=CC(=O)C1 0d98e3380264e96c82b51496b84e5007 [0,1,0,1,0,0|1,0,0]=3 3199 B11R1.27 CCCCOC1C=CC(=O)O1 8de5a6aabb96fa2068f232a13afea463 [0,1,0,1,0,0|0,0,0]=2 3200 B11R1.27 CCCCO[C@H]1C=CC(=O)C1 207af7052b82c543be52becc1f233bfc [0,1,0,1,0,0|1,0,0]=3 3201 B11R1.27 CCCNCC1=CC(=O)OC1 0790cb843c41eaff3f2fef0877c6c76c [0,1,0,1,0,0|1,0,0]=3 3202 B11R1.27 CCCNCC1CCC(=O)O1 192e1b88d26e187571243f52c87c3f25 [0,1,0,1,0,0|0,0,2]=4 3203 B11R1.27 CCCNCc1cc(=O)[nH]o1 64923037bc01174b23cb5e8673320836 [0,1,0,1,0,0|1,0,0]=3 3204 B11R1.27 CCCNCc1cc(co1)C cfa2d3379118e389ad04c13e63b9ec9a [0,1,0,1,0,0|2,0,0]=4 3205 B11R1.27 CCCNCc1cc(no1)Br 8a75af9d3a6555d02befc59d5b9901a2 [0,1,0,1,0,0|2,0,0]=4 3206 B11R1.27 CCCNCc1cc(no1)C 9417d2e72bd46e92cf54bb83eee74048 [0,1,0,1,0,0|2,0,0]=4 3207 B11R1.27 CCCNCc1cc(on1)C 04c3f8aa1e38a8364d8495e2ad6712b6 [0,1,0,1,0,0|2,0,0]=4 3208 B11R1.27 CCCNCc1ccc(o1)Br 304e44400ec5f59c8a510759c73f6f7f [0,1,0,1,0,0|1,0,1]=4 3209 B11R1.27 CCCNCc1ccc(o1)C 62eaddc55a3431ff1bc6049cfb34132d [0,1,0,1,0,0|1,0,1]=4 3210 B11R1.27 CCCNCc1cnc(o1)C cd76dbdb4164cc7779fe7cf4117a10ae [0,1,0,1,0,0|2,0,0]=4 3211 B11R1.27 CCCNCc1coc(=O)o1 52db3cf2e0c67c4c0f43962f9152c79c [0,1,0,1,0,0|1,0,0]=3 3212 B11R1.27 CCCNCc1ncc(o1)Br 2b08561914acd53b20564234eab1d84a [0,1,0,1,0,0|2,0,0]=4 3213 B11R1.27 CCCNCc1ncc(o1)C 2fa0f5d239b8f7e43d75fa76dafdab7f [0,1,0,1,0,0|2,0,0]=4 3214 B11R1.27 CCCOCC1=CC(=O)OC1 e32dbce0ab6ef27913cd41d81cf95661 [0,1,0,1,0,0|1,0,0]=3 3215 B11R1.27 CCCOCC1C=CC(=O)O1 9dadb827d673d8628bb482617f675d16 [0,1,0,1,0,0|0,0,0]=2 3216 B11R1.27 CCCOCC1CCC(=O)O1 e9e82695e85d6e35f1d9b435b1472756 [0,1,0,1,0,0|0,0,2]=4 3217 B11R1.27 CCCOC[C@@H]1C=CC(=O)O1 7531c118a29ea18e38da49b72ee790bd [0,1,0,1,0,0|0,0,0]=2 3218 B11R1.27 CCCOC[C@@H]1CCC(=O)O1 451cbd28723ca3d63ce2083daa5f1a8b [0,1,0,1,0,0|0,0,2]=4 3219 B11R1.27 CCCOC[C@H]1CCC(=O)O1 ba98c0589f5943fe8be2745df7bb5cb9 [0,1,0,1,0,0|0,0,2]=4 3220 B11R1.27 CCCOCc1cc(co1)Br bd4978901df827d0d2c777a4f7fe2493 [0,1,0,1,0,0|2,0,0]=4 3221 B11R1.27 CCCOCc1cc(no1)Br 2c44b78accb03851782a147bb8410657 [0,1,0,1,0,0|2,0,0]=4 3222 B11R1.27 CCCOCc1cc(no1)C 2bae26f4bac99627ea9e17376cc02231 [0,1,0,1,0,0|2,0,0]=4 3223 B11R1.27 CCCOCc1cc(on1)C 68daf4c3d3a39ed123c6a7add525e734 [0,1,0,1,0,0|2,0,0]=4 3224 B11R1.27 CCCOCc1ccc(o1)Br ee996c349c568cda2668245671e4e970 [0,1,0,1,0,0|1,0,1]=4 3225 B11R1.27 CCCOCc1ccc(o1)C 44413ee853d5fc7b158361bd02b5f576 [0,1,0,1,0,0|1,0,1]=4 3226 B11R1.27 CCCOCc1cnc(o1)C d7d258ece5eba8ed2eb446539a59fb1f [0,1,0,1,0,0|2,0,0]=4 3227 B11R1.27 CCCOCc1coc(=O)o1 7983f0fa337a693cb9723af86e02b805 [0,1,0,1,0,0|1,0,0]=3 3228 B11R1.27 CCCOCc1coc(c1)Br 3d4050a756fcb8346ff7f38eca57b798 [0,1,0,1,0,0|2,0,0]=4 3229 B11R1.27 CCCOCc1ncc(o1)Br 9aac6ef0873b0884087f4e4f9afd83aa [0,1,0,1,0,0|2,0,0]=4 3230 B11R1.27 CCCOCc1ncc(o1)C d377400034e4f0b61e9eea1ac3d7a3d9 [0,1,0,1,0,0|2,0,0]=4 3231 B11R1.27 CCNCCc1ccc(o1)C 970942009447c5bc88a3bda9d5d6e2a8 [0,1,0,1,0,0|1,0,1]=4 3232 B11R1.27 CCNCCc1ncc(o1)C 49fdaa052a93004dcd03c0fe0cbdb49f [0,1,0,1,0,0|2,0,0]=4 3233 B11R1.27 CCOCCc1cc(no1)Br 75cdd4a6c375e0a8c10b35dae04f0aac [0,1,0,1,0,0|2,0,0]=4 3234 B11R1.27 CCOCCc1cc(no1)C 0046956dda0ceeeb0d05796707516c4c [0,1,0,1,0,0|2,0,0]=4 3235 B11R1.27 CCOCCc1ccc(o1)C 4ddf07a2cc1d2413b762eea0519bec00 [0,1,0,1,0,0|1,0,1]=4 3236 B11R1.27 CCOCCn1ccc(=O)[nH]1 5ef451386fd9c102e5f73dae66e60f51 [0,1,0,1,0,0|2,0,0]=4 3237 B11R1.27 CCOCNc1cc(=O)[nH]o1 18dcc8a3f38762ca1c29c1b5005dcef5 [0,1,0,1,0,0|2,0,0]=4 3238 B11R1.27 CCOCOC1C=CC(=O)O1 38e4d2e758a31263b409a5c86d75ed03 [0,1,0,1,0,0|1,0,0]=3 3239 B11R1.27 COCCNc1cc(=O)[nH]o1 87c50c65842df9dec274e1ce6f203cf6 [0,1,0,1,0,0|2,0,0]=4 3240 B11R1.27 COCCOC1=CC(=O)OC1 9de53d7bac009f6aab0480287fd9f62f [0,1,0,1,0,0|2,0,0]=4 3241 B11R1.27 COCCOC1C=CC(=O)C1 d8218f5e250b384f2f0874d2a65e8c28 [0,1,0,1,0,0|2,0,0]=4 3242 B11R1.27 COCCOC1C=CC(=O)O1 fa97a0b73c5560e648fb76c89bd0a969 [0,1,0,1,0,0|1,0,0]=3 3243 B11R1.27 COCCO[C@H]1C=CC(=O)C1 258f4c160bb2c2749f3a8f5b0da185c3 [0,1,0,1,0,0|2,0,0]=4 3244 B11R1.27 COCNCc1cc(=O)[nH]o1 0edb544100e5b4f2ea6bfb341b1ba779 [0,1,0,1,0,0|2,0,0]=4 3245 B11R1.27 COCOCC1=CC(=O)OC1 3c59304cd5b8e6da7dac2d193b37a18e [0,1,0,1,0,0|2,0,0]=4 3246 B11R1.27 COCOCC1C=CC(=O)O1 a1bad1d455370d36cc2a3ef93e03231d [0,1,0,1,0,0|1,0,0]=3 3247 B11R1.27 COCOC[C@@H]1C=CC(=O)O1 feda368e49cd4e447834d2c99ad1224e [0,1,0,1,0,0|1,0,0]=3 3248 B11R1.27 COCOCc1coc(=O)o1 839ca1d3bc9843e08be4914778f792da [0,1,0,1,0,0|2,0,0]=4 3249 B11R1.27 CSCCNc1cc(=O)[nH]o1 a162fce27476f61a475dffec2be792c3 [0,1,0,1,0,0|2,0,0]=4 3250 B11R1.27 CSCCOC1=CC(=O)OC1 bb05a730ac4558e45219562a2e8a3c6a [0,1,0,1,0,0|2,0,0]=4 3251 B11R1.27 CSCCOC1C=CC(=O)C1 a813ae3c929e0e45ef278a3e17c4718b [0,1,0,1,0,0|2,0,0]=4 3252 B11R1.27 CSCCOC1C=CC(=O)O1 ac00a57dcc0d765fa19178c1aeebf610 [0,1,0,1,0,0|1,0,0]=3 3253 B11R1.27 CSCCO[C@H]1C=CC(=O)C1 7041a79fe6a7922051e3553b4f1701a3 [0,1,0,1,0,0|2,0,0]=4 3254 B11R1.27 CSCNCc1cc(=O)[nH]o1 48e3d3339331e98082a589f5b500e963 [0,1,0,1,0,0|2,0,0]=4 3255 B11R1.27 N#CCCOC1C=CC(=O)O1 c5968ed8e141d1ed53b169fd74efd548 [0,1,0,1,0,0|1,0,1]=4 3256 B11R1.27 N#CCOCC1C=CC(=O)O1 42374d8621111efc546c3b8e81383c72 [0,1,0,1,0,0|1,0,1]=4 3257 B11R1.27 N#CCOC[C@@H]1C=CC(=O)O1 d804852ea9e920d761dc89ac79f8d004 [0,1,0,1,0,0|1,0,1]=4 3258 B11R1.27 O=C1C=C(CO1)CNCCBr a9986803f126ede026f0e8405e5e7a76 [0,1,0,1,0,0|2,0,0]=4 3259 B11R1.27 O=C1C=C(CO1)CNCCF f16b471e576bacf0afc29857507d89b2 [0,1,0,1,0,0|2,0,0]=4 3260 B11R1.27 O=C1C=C(CO1)CNCCI 1013279500510c45fa7a657f9fbb4b35 [0,1,0,1,0,0|2,0,0]=4 3261 B11R1.27 O=C1C=C(CO1)CNCCO d90dc0d99700baf404eaaef333292471 [0,1,0,1,0,0|2,0,0]=4 3262 B11R1.27 O=C1C=C(CO1)CNCCS 2c13d39927a08d15ec80245ebdcd0779 [0,1,0,1,0,0|2,0,0]=4 3263 B11R1.27 O=C1C=C(CO1)COCCF 1c59713fb68841d7d2335154fce69bf8 [0,1,0,1,0,0|2,0,0]=4 3264 B11R1.27 O=C1C=C(CO1)COCCS df6bb5e44c7d43f74e3013cda3b57257 [0,1,0,1,0,0|2,0,0]=4 3265 B11R1.27 O=C1C=C(CO1)OCCCF 10fa06ad36f92b463cb9c8266f7ccf16 [0,1,0,1,0,0|2,0,0]=4 3266 B11R1.27 O=C1C=CC(C1)OCCCF b321ca28f693c740375ffc4a00b94356 [0,1,0,1,0,0|2,0,0]=4 3267 B11R1.27 O=C1C=CC(C1)OCCCS 3d714283c3b9cf2ef284f116ab242ccd [0,1,0,1,0,0|2,0,0]=4 3268 B11R1.27 O=C1C=CC(O1)COCCF 9430dcf102588d87ee9e85ae7e754592 [0,1,0,1,0,0|1,0,0]=3 3269 B11R1.27 O=C1C=CC(O1)COCCS 33903e6f0ed96541ce8898b3fc31e7e4 [0,1,0,1,0,0|1,0,0]=3 3270 B11R1.27 O=C1C=CC(O1)OCCCF ea7e371b9634d75cd255904015258c80 [0,1,0,1,0,0|1,0,0]=3 3271 B11R1.27 O=C1C=CC(O1)OCCCS f620c6449632bc996c7a1e22d29a3cc5 [0,1,0,1,0,0|1,0,0]=3 3272 B11R1.27 O=C1C=C[C@@H](C1)OCCCF 5f250ddff080b3a54f97fc0311633408 [0,1,0,1,0,0|2,0,0]=4 3273 B11R1.27 O=C1C=C[C@@H](C1)OCCCS 37867833965405a6c3f6e73cd76207fb [0,1,0,1,0,0|2,0,0]=4 3274 B11R1.27 O=C1C=C[C@H](O1)COCCF d494a1f66d1c4b989f0e63083485cdec [0,1,0,1,0,0|1,0,0]=3 3275 B11R1.27 O=C1C=C[C@H](O1)COCCS 5a1f217c33b88acbfe3f48ec7a8ed758 [0,1,0,1,0,0|1,0,0]=3 3276 B11R1.27 O=CCCOC1C=CC(=O)O1 655091148739e8d5aa03616ff71c4e4a [0,1,0,1,0,0|1,0,1]=4 3277 B11R1.27 O=CCOCC1C=CC(=O)O1 0f465020250c180aa32c372dc68212dc [0,1,0,1,0,0|1,0,1]=4 3278 B11R1.27 O=CCOC[C@@H]1C=CC(=O)O1 af7ed666f8b5e29da3fcf03188510046 [0,1,0,1,0,0|1,0,1]=4 3279 B11R1.27 O=c1cc(o[nH]1)CNCCF ba52a051d06586ab57dc509e9ad95cbc [0,1,0,1,0,0|2,0,0]=4 3280 B11R1.27 O=c1cc(o[nH]1)CNCCO 83202a55f4b42e6b376c1158fc7fe186 [0,1,0,1,0,0|2,0,0]=4 3281 B11R1.27 O=c1cc(o[nH]1)CNCCS 8ea7b50d963cb3419f2ca323a55328e3 [0,1,0,1,0,0|2,0,0]=4 3282 B11R1.27 O=c1cc(o[nH]1)NCCCF eb5ee99eb63b54d7565bd72ed56fa876 [0,1,0,1,0,0|2,0,0]=4 3283 B11R1.27 O=c1cc(o[nH]1)NCCCO 31cfc07d646ed5ab4da384f727cbd128 [0,1,0,1,0,0|2,0,0]=4 3284 B11R1.27 O=c1cc(o[nH]1)NCCCS 2e4b993c7ff260c22cf00eefb9984c13 [0,1,0,1,0,0|2,0,0]=4 3285 B11R1.27 O=c1occ(o1)CNCCBr 74e71e9a3d78fce0fb74257fde2eddb3 [0,1,0,1,0,0|2,0,0]=4 3286 B11R1.27 O=c1occ(o1)CNCCF d96ccc3e290de93445a3615624baa6b5 [0,1,0,1,0,0|2,0,0]=4 3287 B11R1.27 O=c1occ(o1)CNCCI 3704f17cd9ef45fd810caf82c4241ed0 [0,1,0,1,0,0|2,0,0]=4 3288 B11R1.27 O=c1occ(o1)CNCCO 60ef2d03caf7e7e3eaebf2e08ef6fee2 [0,1,0,1,0,0|2,0,0]=4 3289 B11R1.27 O=c1occ(o1)CNCCS e5f8d9bac770869f63b2df4149aa3ae5 [0,1,0,1,0,0|2,0,0]=4 3290 B11R1.27 O=c1occ(o1)COCCF faad982336bc4179eb08fea1633271aa [0,1,0,1,0,0|2,0,0]=4 3291 B11R1.27 O=c1occ(o1)COCCS c23f0e8a9630985b8df73ba44a2792ef [0,1,0,1,0,0|2,0,0]=4 3292 B11R1.53 CCN1CCCCC1C(=O)O 48e64a80b74ee0d57ef5f2c51793a0e0 [0,1,0,1,0,0|0,0,2]=4 3293 B11R1.53 CCN1CCCC[C@@H]1C(=O)O ffabe4d2c3400a07ec9d9a1b02445d18 [0,1,0,1,0,0|0,0,2]=4 3294 B11R1.53 CCN1CCCC[C@H]1C(=O)O bfa902a3d396d93371caf449fec9a938 [0,1,0,1,0,0|0,0,2]=4 3295 B11R1.53 CCN1CCCSC1C(=O)O 714ab7d5f47ac73dbab4bf4e7ca0563f [0,1,0,1,0,0|1,0,1]=4 3296 B11R1.57 CCC1CCCN1CC(=O)O c31ac8bd4b3eeed7b5beb09db1545ade [0,1,0,1,0,0|0,0,2]=4 3297 B11R1.57 CCN1CCCC1CC(=O)O 8035896eb0b4ccf9532ccab0532ab2dc [0,1,0,1,0,0|0,0,2]=4 3298 B11R1.57 CCN1CCC[C@@H]1CC(=O)O 078da1d03ae15c1dbe297412c6b8c765 [0,1,0,1,0,0|0,0,2]=4 3299 B11R1.57 CCN1CCC[C@H]1CC(=O)O e31ed026b01212112bf4b9b75bdf0a78 [0,1,0,1,0,0|0,0,2]=4 3300 B11R1.57 CC[C@@H]1CCCN1CC(=O)O fcbfc0397f95ebb582b031ed6c75b8f9 [0,1,0,1,0,0|0,0,2]=4 3301 B11R1.57 COC1CCCN1CC(=O)O b53221ba908aeb459ede6db241de034a [0,1,0,1,0,0|1,0,1]=4 3302 B11R1.57 O=C(O)CN1CCCC1CO 18fd863028aad275999bc40f6d591e61 [0,1,0,1,0,0|1,0,1]=4 3303 B11R1.57 O=C(O)CN1CCC[C@@H]1CF 263fe6a95009679abd398b22b26de003 [0,1,0,1,0,0|1,0,1]=4 3304 B11R1.57 O=C(O)CN1CCC[C@@H]1CO c0e96541a04d6ea32d8c88e1d4d3476d [0,1,0,1,0,0|1,0,1]=4 3305 B11R1.57 O=C(O)CN1CCC[C@H]1CF b4a8362b840c2d285203cd7edfef101f [0,1,0,1,0,0|1,0,1]=4 3306 B11R1.57 O=C(O)CN1CCC[C@H]1CO 09199b79d3f006b679a7584910181061 [0,1,0,1,0,0|1,0,1]=4 3307 B11R1.78 CCCCNCC1CC(=O)O1 e3a9828b8100c66b7349fbff08f11eda [0,1,0,1,0,0|0,0,2]=4 3308 B11R1.78 CCCCOCC1CC(=O)O1 975087ca287ad7024709ba55827da77c [0,1,0,1,0,0|0,0,2]=4 3309 B11R1.86 CC1CCCCN1CC(=O)O ae84160ac6931f8f66d20194a2549691 [0,1,0,1,0,0|0,0,2]=4 3310 B11R1.86 CC1COCCN1CC(=O)O 04398f858992d0a5d48457bf72a5c847 [0,1,0,1,0,0|1,0,1]=4 3311 B11R1.86 C[C@@H]1CCCCN1CC(=O)O e977167422de3a18af9f7c21c4b88fdb [0,1,0,1,0,0|0,0,2]=4 3312 B11R1.86 C[C@@H]1COCCN1CC(=O)O f9d4dbd75edeb208df3b04501111d275 [0,1,0,1,0,0|1,0,1]=4 3313 B11R1.86 C[C@H]1CCCCN1CC(=O)O b00078cb16b191d42880e0e45b0eac26 [0,1,0,1,0,0|0,0,2]=4 3314 B11R1.86 C[C@H]1COCCN1CC(=O)O f65b20d8f871f5dda28ee23351f4bc9f [0,1,0,1,0,0|1,0,1]=4 3315 B11R1.91 O=C(O)CNC1CCCCC1 6170fa39da854f2ae539e4442d25e354 [0,1,0,1,0,0|0,0,2]=4 3316 B11R1.91 O=C(O)CNC1CCCCO1 0601744de8bfaeac3efa0eaae34b0e2a [0,1,0,1,0,0|1,0,1]=4 3317 B11R1.91 O=C(O)CNC1CCCOC1 de8c0d47483c3f100833bbc04551e425 [0,1,0,1,0,0|1,0,1]=4 3318 B11R1.91 O=C(O)CNC1CCOCC1 de1a366c5915b7b602ff6be02564e839 [0,1,0,1,0,0|1,0,1]=4 3319 B11R1.91 O=C(O)CNC1CCSCC1 a1d4dcc34b9d978a9aada4af63ce44d5 [0,1,0,1,0,0|1,0,1]=4 3320 B11R1.91 O=C(O)CN[C@@H]1CCCOC1 a4936671de955a660a8b95906cfcf3fe [0,1,0,1,0,0|1,0,1]=4 3321 B11R1.91 O=C(O)CN[C@H]1CCCOC1 c38b7aafbfb095786d36e5a2e6d14252 [0,1,0,1,0,0|1,0,1]=4 3322 B11R1.91 O=C(O)COC1CCCCC1 c56b55e54d9cc9b734edcd0ed0978f43 [0,1,0,1,0,0|0,0,2]=4 3323 B11R1.91 O=C(O)COC1CCCCO1 927e1af2807bd3dd35f5b1bd3c90f17b [0,1,0,1,0,0|1,0,1]=4 3324 B11R1.91 O=C(O)COC1CCCOC1 f10d417684ae0b4f2fe8858293490ec1 [0,1,0,1,0,0|1,0,1]=4 3325 B11R1.91 O=C(O)COC1CCCSC1 7272dae6ecc3c9c2a4ea28deac73fb75 [0,1,0,1,0,0|1,0,1]=4 3326 B11R1.91 O=C(O)COC1CCOCC1 d35c7985939bbbbf7d929dd6cf8e4d91 [0,1,0,1,0,0|1,0,1]=4 3327 B11R1.91 O=C(O)COC1CCSCC1 b2cb64231e512bfba5c6f77887ea953d [0,1,0,1,0,0|1,0,1]=4 3328 B11R1.91 O=C(O)CO[C@@H]1CCCOC1 0436b7ec633e33f771801ad9b698da19 [0,1,0,1,0,0|1,0,1]=4 3329 B11R1.91 O=C(O)CO[C@H]1CCCOC1 654ae1e30203a17364d5c0aea2fe9d02 [0,1,0,1,0,0|1,0,1]=4 3330 B11R1.102 CC1CC1COCCC(=O)O 773712793f8aef5614fac0ce57ff0614 [0,1,0,1,0,0|0,0,2]=4 3331 B11R1.102 CC1CC1NC/C=C/C(=O)O 8074935ca92cab8b0a61a569ff537f39 [0,1,0,1,0,0|0,0,0]=2 3332 B11R1.102 CC1CC1NCC=CC(=O)O 51f0aa27a68549ff6dc569b531f3943f [0,1,0,1,0,0|0,0,0]=2 3333 B11R1.102 CC1CC1NCCCC(=O)O 37df332ae5d4d4f9c451847d09793c25 [0,1,0,1,0,0|0,0,2]=4 3334 B11R1.102 C[C@@H]1C[C@H]1COCCC(=O)O b04546ed4019019678c03576307d9df4 [0,1,0,1,0,0|0,0,2]=4 3335 B11R1.102 C[C@H]1C[C@@H]1COCCC(=O)O 8d43531bace86502c95a01dd267efeb3 [0,1,0,1,0,0|0,0,2]=4 3336 B11R1.102 C[C@H]1C[C@H]1COCCC(=O)O 45bb13f4739bfb28c1dc01c4211d6306 [0,1,0,1,0,0|0,0,2]=4 3337 B11R1.102 O=C(O)/C=C/CN[C@@H]1C[C@H]1F 59fcf9eccbe4c5d0a12c0e318a9d8930 [0,1,0,1,0,0|1,0,0]=3 3338 B11R1.102 O=C(O)/C=C/CN[C@H]1C[C@@H]1F cc90b5155f9235fc47c0af46d1405924 [0,1,0,1,0,0|1,0,0]=3 3339 B11R1.102 O=C(O)/C=C/CN[C@H]1C[C@H]1F a4cea8ab89b9cb86b31a17b6b43861ec [0,1,0,1,0,0|1,0,0]=3 3340 B11R1.102 O=C(O)C=CCN[C@@H]1C[C@H]1F 05a8fb9bc4be8ad0bab448830e152439 [0,1,0,1,0,0|1,0,0]=3 3341 B11R1.102 O=C(O)C=CCN[C@H]1C[C@@H]1F 0c78767f5b277233447c6ada8b5a084e [0,1,0,1,0,0|1,0,0]=3 3342 B11R1.102 O=C(O)C=CCN[C@H]1C[C@H]1F 93d0bdf62b89f98a7c56938417683b28 [0,1,0,1,0,0|1,0,0]=3 3343 B11R1.113 CCCN1CCC1CC(=O)O eb9847c838c016909ff9e9544b4f5356 [0,1,0,1,0,0|0,0,2]=4 3344 B11R1.113 COCC1CCN1CC(=O)O 17626182c3dc6d51f2d6fceff77f2804 [0,1,0,1,0,0|1,0,1]=4 3345 B11R1.113 COC[C@@H]1CCN1CC(=O)O 76ae1224268bf7d70f6f32c2a43c26f1 [0,1,0,1,0,0|1,0,1]=4 3346 B11R1.113 COC[C@H]1CCN1CC(=O)O 95a11670e953c147a954a00bcb1a73a1 [0,1,0,1,0,0|1,0,1]=4 3347 B11R1.113 O=C(O)CN1CCC1CCO d3131954bccb9b151f58378fff7b4f7f [0,1,0,1,0,0|1,0,1]=4 3348 B11R1.161 CN1CCC1CNCC(=O)O 0349409589cbeced919e11f49b37bf7d [0,1,0,1,0,0|1,0,1]=4 3349 B11R1.161 CN1CCC1COCC(=O)O 5ba30ff7a20ca060cedfc8499001f2ec [0,1,0,1,0,0|1,0,1]=4 3350 B11R1.161 CN1CC[C@@H]1COCC(=O)O 555f94dc3d716cce9cf4f667679921f1 [0,1,0,1,0,0|1,0,1]=4 3351 B11R1.161 CN1CC[C@H]1COCC(=O)O b33b3cd4ffb4e626e54d37b0dfdc3a75 [0,1,0,1,0,0|1,0,1]=4 3352 B11R1.161 C[C@@H]1CC[C@@H]1NCCC(=O)O aa0e60c33918eed9747e660c027563f0 [0,1,0,1,0,0|0,0,2]=4 3353 B11R1.161 C[C@@H]1CC[C@H]1NCCC(=O)O 37869c1af20a843bcf28deb296db7bde [0,1,0,1,0,0|0,0,2]=4 3354 B11R1.161 O=C(O)COCC1CCC1F 3761a1d391388f8fb3ef976d5e887bcd [0,1,0,1,0,0|1,0,1]=4 3355 B11R1.174 O=C(O)/C=C/CNC1CCC1 a3c37c4af58919d5567657503948b1d6 [0,1,0,1,0,0|0,0,0]=2 3356 B11R1.174 O=C(O)/C=C/CNC1COC1 230f801b45fe9539bba41e2abf34239a [0,1,0,1,0,0|1,0,0]=3 3357 B11R1.174 O=C(O)/C=C/COC1CCC1 eba3782a4e4cc66a5bfb29dc81eae30b [0,1,0,1,0,0|0,0,0]=2 3358 B11R1.174 O=C(O)/C=C/COC1COC1 e600e0e913179a19d0b7cc9965c1bbc7 [0,1,0,1,0,0|1,0,0]=3 3359 B11R1.174 O=C(O)/C=C/COC1CSC1 999917d1d38c17ed3ef4ac169a6526da [0,1,0,1,0,0|1,0,0]=3 3360 B11R1.174 O=C(O)C#CCNC1CCC1 e10e68f3b6c1db2e173b6ce50460a405 [0,1,0,1,0,0|0,0,2]=4 3361 B11R1.174 O=C(O)C#CCOC1CCC1 0e95a8be4bbbeee3aa72cae340562a94 [0,1,0,1,0,0|0,0,2]=4 3362 B11R1.174 O=C(O)C=CCNC1CCC1 59828b30656f6afe7f7831c7b759c254 [0,1,0,1,0,0|0,0,0]=2 3363 B11R1.174 O=C(O)C=CCNC1COC1 05e0f2487891bcbc8ac379ad283c80c0 [0,1,0,1,0,0|1,0,0]=3 3364 B11R1.174 O=C(O)C=CCOC1CCC1 a8981b98cb4b4a8155d006c6c810d681 [0,1,0,1,0,0|0,0,0]=2 3365 B11R1.174 O=C(O)C=CCOC1COC1 9acc62368830e4d83e9316ed5e36453a [0,1,0,1,0,0|1,0,0]=3 3366 B11R1.174 O=C(O)C=CCOC1CSC1 53be77af2d292e863c2e62fcd2f916eb [0,1,0,1,0,0|1,0,0]=3 3367 B11R1.174 O=C(O)CCCNC1CCC1 5ce983248441f00c611d6f8d5f20c1bf [0,1,0,1,0,0|0,0,2]=4 3368 B11R1.174 O=C(O)CCCOC1CCC1 768c3041fc41550e6af0ddd7c673718a [0,1,0,1,0,0|0,0,2]=4 3369 B11R1.174 O=C(O)CCNCC1CCC1 82ce057190ac501fe24bca309fd6e48c [0,1,0,1,0,0|0,0,2]=4 3370 B11R1.174 O=C(O)CCOCC1CCC1 538308fdd78afb9ed4902348844ff826 [0,1,0,1,0,0|0,0,2]=4 3371 B11R1.174 O=C(O)CNCCC1CCC1 84612f195dec18bf1f89fbacb630f1f5 [0,1,0,1,0,0|0,0,2]=4 3372 B11R1.174 O=C(O)CNCCC1CCO1 10c99e5b0ca9d4d9819ce9bdccb30510 [0,1,0,1,0,0|1,0,1]=4 3373 B11R1.174 O=C(O)CNCCC1COC1 7e856d19038a9d2bf1f734263460b7e3 [0,1,0,1,0,0|1,0,1]=4 3374 B11R1.174 O=C(O)CNCCN1CCC1 afbfa7a4cdb9df7226aa4a1dc71683ad [0,1,0,1,0,0|1,0,1]=4 3375 B11R1.174 O=C(O)CNCC[C@@H]1CCO1 920a32388327409a0234dd6b00d02dd4 [0,1,0,1,0,0|1,0,1]=4 3376 B11R1.174 O=C(O)COCCC1CCC1 21d3e323d3716ddd98978256d1ef52c5 [0,1,0,1,0,0|0,0,2]=4 3377 B11R1.174 O=C(O)COCCC1CCO1 f07fdc42d269db765ffff6302325a1ce [0,1,0,1,0,0|1,0,1]=4 3378 B11R1.174 O=C(O)COCCC1COC1 2b318057465ba43f129bd9805dc42ff4 [0,1,0,1,0,0|1,0,1]=4 3379 B11R1.174 O=C(O)COCCN1CCC1 276d9dae8c00650d90721ca47acfe52e [0,1,0,1,0,0|1,0,1]=4 3380 B11R1.174 O=C(O)COCC[C@@H]1CCO1 8265b1cb1777419d042caeb7ba25ef45 [0,1,0,1,0,0|1,0,1]=4 3381 B11R1.174 O=C(O)COCC[C@H]1CCO1 e309b2fc7d6f135b78ef32154f96eaec [0,1,0,1,0,0|1,0,1]=4 3382 B11R1.176 O=C(O)/C=C/CNCC1CC1 5809f6053394f5d2e14f65e9b148c738 [0,1,0,1,0,0|0,0,0]=2 3383 B11R1.176 O=C(O)/C=C/COCC1CC1 6a90aff4a4691358b10059906d4ee908 [0,1,0,1,0,0|0,0,0]=2 3384 B11R1.176 O=C(O)C#CCCOC1CC1 2c6f8431d7df1b41a5e5f5cce28d4a8a [0,1,0,1,0,0|0,0,2]=4 3385 B11R1.176 O=C(O)C#CCNCC1CC1 26d83a4b6f027f1ecd819b1c5197d95e [0,1,0,1,0,0|0,0,2]=4 3386 B11R1.176 O=C(O)C#CCOCC1CC1 e74a290d3c678938e2560dbb5b1f4d71 [0,1,0,1,0,0|0,0,2]=4 3387 B11R1.176 O=C(O)C=CCNCC1CC1 46988aaf59e617e7d6a68f9b414e55e6 [0,1,0,1,0,0|0,0,0]=2 3388 B11R1.176 O=C(O)C=CCOCC1CC1 157d4798fdcecff16644b75d8f00ca28 [0,1,0,1,0,0|0,0,0]=2 3389 B11R1.176 O=C(O)CCCCNC1CC1 8e77bc3df99a4dc09f67f8ea40340ff9 [0,1,0,1,0,0|0,0,2]=4 3390 B11R1.176 O=C(O)CCCCOC1CC1 8e0cdb33192fffe0accc6ff088fe2214 [0,1,0,1,0,0|0,0,2]=4 3391 B11R1.176 O=C(O)CCCNCC1CC1 a0ceb4980a80bcc8b85c45b81d00b29f [0,1,0,1,0,0|0,0,2]=4 3392 B11R1.176 O=C(O)CCNCCC1CC1 5226fae948a459ec4c75482c0489cd8f [0,1,0,1,0,0|0,0,2]=4 3393 B11R1.176 O=C(O)CCOCCC1CC1 2cd73a23cd9c696299470b6ca4a30071 [0,1,0,1,0,0|0,0,2]=4 3394 B11R1.176 O=C(O)CNCCOC1CC1 8b455f7378cd4f0389903bf3fcd5db12 [0,1,0,1,0,0|1,0,1]=4 3395 B11R1.176 O=C(O)COCCCC1CC1 811bc90ad70ebad21f64225f344212bf [0,1,0,1,0,0|0,0,2]=4 3396 B11R1.176 O=C(O)COCCNC1CC1 75b89d23beaa4791d69a9b324238800c [0,1,0,1,0,0|1,0,1]=4 3397 B11R1.176 O=C(O)COCCOC1CC1 5b1ec1157d574bc0727b7e672e282d1b [0,1,0,1,0,0|1,0,1]=4 3398 B11R1.176 O=C(O)CSCCNC1CC1 bbf390f978699b81d7df6fce0b85ad8f [0,1,0,1,0,0|1,0,1]=4 3399 B11R1.193 CCCN1CC=CC1C(=O)O 83b234cf95cd102544ae8ea4347db897 [0,1,0,1,0,0|1,0,0]=3 3400 B11R1.193 CCCN1CC=C[C@H]1C(=O)O cf8fb11416353100381269c114cc9eac [0,1,0,1,0,0|1,0,0]=3 3401 B11R1.193 CCCN1CCCC1C(=O)O 4e7638d6e465e449e2846c4f858986b5 [0,1,0,1,0,0|0,0,2]=4 3402 B11R1.193 CCCN1CCC[C@@H]1C(=O)O a65b32b4a51d2d27a5db27b0d392a38d [0,1,0,1,0,0|0,0,2]=4 3403 B11R1.193 CCCN1CCC[C@H]1C(=O)O 033cfafcfdfb4af6deb3dd8bda7c1f7a [0,1,0,1,0,0|0,0,2]=4 3404 B11R1.193 CCCN1CCSC1C(=O)O dcccc13ebce68f0da27a0353246611f1 [0,1,0,1,0,0|1,0,1]=4 3405 B11R1.193 CCN[C@@H]1CCC[C@@H]1C(=O)O b2ead36aea0026ad8ed16725daac4c95 [0,1,0,1,0,0|0,0,2]=4 3406 B11R1.193 CCN[C@H]1CCC[C@@H]1C(=O)O a1d8cdb84c1ab2cc4fea18698e55320b [0,1,0,1,0,0|0,0,2]=4 3407 B11R1.193 CCN[C@H]1CCC[C@H]1C(=O)O 440dea2e0cba6f26d509a31d9785c0da [0,1,0,1,0,0|0,0,2]=4 3408 B11R1.193 CCOC1CCCC1C(=O)O 6ad27e553386c0a619230f65cf1d4ee8 [0,1,0,1,0,0|0,0,2]=4 3409 B11R1.193 CCO[C@@H]1CCC[C@@H]1C(=O)O 51717747c2e0db16e69c0bef3ae1669c [0,1,0,1,0,0|0,0,2]=4 3410 B11R1.193 CCO[C@@H]1CCC[C@H]1C(=O)O 2f9295612b88cddd0cfa1365f5a6dac6 [0,1,0,1,0,0|0,0,2]=4 3411 B11R1.193 CCO[C@H]1CCC[C@H]1C(=O)O 6f30227e4b6c0e5ec303f7332c8a25fc [0,1,0,1,0,0|0,0,2]=4 3412 B11R1.193 COCN1CC=CC1C(=O)O 5f9e0a0b825b7e933622dec390024c30 [0,1,0,1,0,0|2,0,0]=4 3413 B11R1.193 COCN1CC=C[C@H]1C(=O)O 47177b043e9b850367ead8ff5f898c80 [0,1,0,1,0,0|2,0,0]=4 3414 B11R1.193 CSCN1CC=CC1C(=O)O fb6414e4a700e27428b5acf0307054b4 [0,1,0,1,0,0|2,0,0]=4 3415 B11R1.193 CSCN1CC=C[C@H]1C(=O)O c6d6a0044058c4871d9a41ce1d053309 [0,1,0,1,0,0|2,0,0]=4 3416 B11R1.193 O=C(O)C1C=CCN1CCF 3af4ce68c62c16896749f4df899a65c4 [0,1,0,1,0,0|2,0,0]=4 3417 B11R1.193 O=C(O)C1C=CCN1CCO 732a1664e1a01a70578c07d6cac22313 [0,1,0,1,0,0|2,0,0]=4 3418 B11R1.193 O=C(O)C1C=CCN1CCS 819433a54522c5d85bf0dad37ca08ccb [0,1,0,1,0,0|2,0,0]=4 3419 B11R1.193 O=C(O)[C@@H]1C=CCN1CCF 2896adafa1285368bbf62b4dd89e41d5 [0,1,0,1,0,0|2,0,0]=4 3420 B11R1.193 O=C(O)[C@@H]1C=CCN1CCO c31eaf7ed5e707a6cf580c89baa4dde2 [0,1,0,1,0,0|2,0,0]=4 3421 B11R1.193 O=C(O)[C@@H]1C=CCN1CCS 556cb909abde818f543e9761b345adbf [0,1,0,1,0,0|2,0,0]=4 3422 B11R1.204 CCCCN1CCC1C(=O)O 8298e08b6554f3fe7f1b8d755279c31e [0,1,0,1,0,0|0,0,2]=4 3423 B11R1.204 CCCCN1CC[C@@H]1C(=O)O 7dd5a4d96c5dcd3d04108d2107d57ba8 [0,1,0,1,0,0|0,0,2]=4 3424 B11R1.204 CCCCN1CC[C@H]1C(=O)O b7bbf6011c4c86be157fa03063191389 [0,1,0,1,0,0|0,0,2]=4 3425 B11R1.204 CCCN[C@H]1CC[C@H]1C(=O)O e4c0c939806a7fd20a2d3b482bededef [0,1,0,1,0,0|0,0,2]=4 3426 B11R1.204 CCCOC1CCC1C(=O)O 00da8a733746f7d0f18d57eb19dd8dae [0,1,0,1,0,0|0,0,2]=4 3427 B11R1.204 CCCO[C@H]1CC[C@@H]1C(=O)O 465aae9b3e97cc4fb1e524e0e4f66fde [0,1,0,1,0,0|0,0,2]=4 3428 B11R1.271 CCC1CCN1CCC(=O)O e84f612a7a039741c8f99fcd9bab3ae6 [0,1,0,1,0,0|0,0,2]=4 3429 B11R1.271 COC1CCC1NCC(=O)O 4933db14ea229d028f10490c9c7c72ac [0,1,0,1,0,0|1,0,1]=4 3430 B11R1.271 CO[C@@H]1CC[C@@H]1NCC(=O)O 0a353a67a7eed681fcba98cb46f6b1d9 [0,1,0,1,0,0|1,0,1]=4 3431 B11R1.271 CO[C@@H]1CC[C@H]1NCC(=O)O bb6af8ede02f35a5a29edacb5314e245 [0,1,0,1,0,0|1,0,1]=4 3432 B11R1.271 CO[C@H]1CC[C@@H]1NCC(=O)O f5f45b557e940712d10f9916457b51f6 [0,1,0,1,0,0|1,0,1]=4 3433 B11R1.271 CO[C@H]1CC[C@H]1NCC(=O)O f0c0c2eb71b3576250aab37a941b06cc [0,1,0,1,0,0|1,0,1]=4 3434 B11R1.742 O=C(O)CN1CCCCCC1 d9f9edaddb25360088e69733dfba1666 [0,1,0,1,0,0|0,0,2]=4 3435 B11R1.742 O=C(O)CN1CCCOCC1 621646c1635481e8abe6c4a7848bde48 [0,1,0,1,0,0|1,0,1]=4 3436 B11R1.753 CCCCN[C@@H]1C[C@@H]1C(=O)O db3c084c35ab74f1c14ea8442c64b333 [0,1,0,1,0,0|0,0,2]=4 3437 B11R1.753 CCCCN[C@H]1C[C@@H]1C(=O)O 229a9cd64fffff7130c10356433822e8 [0,1,0,1,0,0|0,0,2]=4 3438 B11R1.753 CCCCN[C@H]1C[C@H]1C(=O)O e24af68b59d7b0b94e24db2eac361e86 [0,1,0,1,0,0|0,0,2]=4 3439 B11R1.753 CCCCO[C@@H]1C[C@@H]1C(=O)O 662037177b8dfc58b8c695dacf12fa4f [0,1,0,1,0,0|0,0,2]=4 3440 B11R1.753 CCCCO[C@H]1C[C@@H]1C(=O)O bdee004caa1db9cfdd5e5cca38f9113c [0,1,0,1,0,0|0,0,2]=4 3441 B11R1.753 CCCCO[C@H]1C[C@H]1C(=O)O 2c0fe3d19e438fbe43fd102329f11d10 [0,1,0,1,0,0|0,0,2]=4 3442 B11R1.753 CCCNCC1CC1C(=O)O d2495a7fe19530b2321a1e958134dcbc [0,1,0,1,0,0|0,0,2]=4 3443 B11R1.753 CCCNC[C@@H]1C[C@H]1C(=O)O 8f0cc9b122b98a3c1d47d4bf21d609f6 [0,1,0,1,0,0|0,0,2]=4 3444 B11R1.753 CCCOCC1CC1C(=O)O 44bbc672bbd400411d06d5b51e247fdc [0,1,0,1,0,0|0,0,2]=4 3445 B11R1.753 CCCOC[C@@H]1C[C@H]1C(=O)O cdedbc42167dbb206eeb61876a11f8a1 [0,1,0,1,0,0|0,0,2]=4 3446 B11R1.753 CCCOC[C@H]1C[C@@H]1C(=O)O 4772a80891634c38abd65d32a4492dc1 [0,1,0,1,0,0|0,0,2]=4 3447 B11R1.753 CCCOC[C@H]1C[C@H]1C(=O)O 8514432f931e742bb262b00483aa1702 [0,1,0,1,0,0|0,0,2]=4 3448 B11R1.43 CCC1CCN(C1)CC(=O)O 9690f2dfaca85f7a0ce56b7e044c5b8a [0,1,0,1,0,0|1,0,1]=4 3449 B11R1.77 CN(CC(=O)O)C1CCCC1 3caf3c0d85c03498aceefe853579f88a [0,1,0,1,0,0|1,0,1]=4 3450 B11R1.230 CC1=CC(=O)OC1OCCF 4997c35d7136722efe09485100079a52 [0,1,0,1,0,0|2,0,0]=4 3451 B11R1.230 CC1=CC(=O)OC1OCCS 70b78693bfd8f6d468123fba4959dcf6 [0,1,0,1,0,0|2,0,0]=4 3452 B11R1.230 CCCOC1NC(=O)C=C1Br 934c9b9aec0cfc66aff61ee1e05041fa [0,1,0,1,0,0|2,0,0]=4 3453 B11R1.230 CCCOC1OC(=O)C=C1C ebf04cd38e1e40584fe9914d8d5eed6a [0,1,0,1,0,0|1,0,0]=3 3454 B11R1.230 CCCOC1OC(=O)C=C1Cl 96bc8cac1bf046a1632477967acf5e57 [0,1,0,1,0,0|1,0,0]=3 3455 B11R1.230 COCOC1OC(=O)C=C1C 7b62832757f398ff3ad7d4ae2d0a8803 [0,1,0,1,0,0|2,0,0]=4 3456 B11R1.230 COCOC1OC(=O)C=C1Cl 2e0d05414059aeaff6f72345fe4af26f [0,1,0,1,0,0|2,0,0]=4 3457 B11R1.230 CSCOC1OC(=O)C=C1C 0e8c103d3e5ca7eb6bc5d1e3a78ec00a [0,1,0,1,0,0|2,0,0]=4 3458 B11R1.230 CSCOC1OC(=O)C=C1Cl 665187a4ecd76527940e832ba49a8162 [0,1,0,1,0,0|2,0,0]=4 3459 B11R1.230 O=C1C=C(C(O1)OCCF)Cl 38b579ea2bea421d52b323dc39922dc9 [0,1,0,1,0,0|2,0,0]=4 3460 B11R1.230 O=C1C=C(C(O1)OCCS)Cl b899b40d3612920b2c3db56db9b05ea5 [0,1,0,1,0,0|2,0,0]=4 3461 B11R1.484 CN(CC(=O)O)CC1CCC1 35fd2fa827336d46b91ebd5d54bba43c [0,1,0,1,0,0|1,0,1]=4 3462 B11R1.484 O=C(O)CC(=O)CN1CCC1 67078275036c6048da0d28fb85491a9d [0,1,0,1,0,0|1,0,1]=4 3463 B11R1.485 CN(CCC1CC1)CC(=O)O 7529b7e859ee5bc0e55a962ff35566bc [0,1,0,1,0,0|1,0,1]=4 3464 B11R1.485 O=C(O)CC(=O)CNC1CC1 8b4a3392474999c314e97774c35e21fb [0,1,0,1,0,0|1,0,1]=4 3465 B11R1.485 O=C(O)CC(=O)COC1CC1 b030f5c8bec4c5e32f60c1c03f710d5e [0,1,0,1,0,0|1,0,1]=4 3466 B11R1.20 CC1CCN(CC1)CC(=O)O 0cfccb1a2bc1a6f8707bd97ee1053b02 [0,1,0,1,0,0|1,0,1]=4 3467 B11R1.20 O=C(O)CN1CCC(CC1)Cl 58b5258937731364e0182785d9f081ff [0,1,0,1,0,0|1,0,1]=4 3468 B11R1.20 O=C(O)CN1CCC(CC1)F 50d18fd3934ce11ce38e1169b8b3fe71 [0,1,0,1,0,0|1,0,1]=4 3469 B11R1.20 O=C(O)CN1CCC(CC1)I fe70957de077460daf6d69dd4dce1c41 [0,1,0,1,0,0|1,0,1]=4 3470 B11R1.20 O=C(O)CN1CCC(CC1)O 42e521bd1703ae610f177660fc9f9a05 [0,1,0,1,0,0|1,0,1]=4 3471 B11R1.39 CCC(C)OC1C=CC(=O)C1 00a1f969a63cf68090edde4bb19a0084 [0,1,0,1,0,0|2,0,0]=4 3472 B11R1.39 CCC(C)OC1C=CC(=O)O1 7b52d0e2dbeaf8586d5d1155b564dd5b [0,1,0,1,0,0|1,0,0]=3 3473 B11R1.39 CCC(C)O[C@H]1C=CC(=O)C1 4b47487fba2eded01e068a23cb669cff [0,1,0,1,0,0|2,0,0]=4 3474 B11R1.75 C=C(C)COC1C=CC(=O)O1 401cb0224ae20a240f7314363fe087ce [0,1,0,1,0,0|1,0,1]=4 3475 B11R1.75 CC(C)COC1C=CC(=O)C1 e6776940ab658a9d216d8a2248522a38 [0,1,0,1,0,0|2,0,0]=4 3476 B11R1.75 CC(C)COC1C=CC(=O)O1 1b718edcc6d29a689da22d17cb188697 [0,1,0,1,0,0|1,0,0]=3 3477 B11R1.75 CC(C)CO[C@H]1C=CC(=O)C1 6061bbef93c65c80e40f2e7c683361ad [0,1,0,1,0,0|2,0,0]=4 3478 B11R1.75 CC(C)OCC1C=CC(=O)O1 49328af670be7ecc74cef0213da65f1d [0,1,0,1,0,0|1,0,0]=3 3479 B11R1.75 CC(C)OC[C@@H]1C=CC(=O)O1 4a37d3fa13eacceb6743552d266495de [0,1,0,1,0,0|1,0,0]=3 3480 B11R1.75 CC1CCC(C1)NCC(=O)O b91263eb0e68378329124588f3440e20 [0,1,0,1,0,0|1,0,1]=4 3481 B11R1.75 CC1CCC(C1)OCC(=O)O 34706f1cb706bb382746d51da5b8e32b [0,1,0,1,0,0|1,0,1]=4 3482 B11R1.75 CN(C)COC1C=CC(=O)O1 8cf1987f391c81c86c83b6e0a704f999 [0,1,0,1,0,0|2,0,0]=4 3483 B11R1.75 O=C(O)CNC1CCC(C1)O 8cbc05d4df0f5d612a13d13b4ef8752c [0,1,0,1,0,0|1,0,1]=4 3484 B11R1.75 O=C(O)CN[C@@H]1CC[C@@H](C1)O e724e00214b84355dcd45c54a7f6c73f [0,1,0,1,0,0|1,0,1]=4 3485 B11R1.75 O=C(O)CN[C@@H]1CC[C@H](C1)O 1e1dac2ef417205d0414a50579662edf [0,1,0,1,0,0|1,0,1]=4 3486 B11R1.75 O=C(O)CN[C@H]1CC[C@@H](C1)O 781dc2a2e1f4d580ab611302f1b51fda [0,1,0,1,0,0|1,0,1]=4 3487 B11R1.75 O=C(O)CN[C@H]1CC[C@H](C1)O f7ad75a5435c628b4f34e818231dd782 [0,1,0,1,0,0|1,0,1]=4 3488 B11R1.75 O=C(O)COC1CCC(C1)F bcfcf769b205f9612da80a130e4ecbb7 [0,1,0,1,0,0|1,0,1]=4 3489 B11R1.75 O=C1C=CC(O1)OCC(F)F c772200a7c6ed989a96db0046a7fb840 [0,1,0,1,0,0|2,0,0]=4 3490 B11R1.235 COC(=O)COCC1CC1C 642422785b13dfbc2a58fed7d26da21a [0,1,0,1,0,0|1,0,1]=4 3491 B11R1.235 COC(=O)COC[C@@H]1C[C@@H]1C ac81e2d9e5c9300b8a4f5b0a0b55d590 [0,1,0,1,0,0|1,0,1]=4 3492 B11R1.235 COC(=O)COC[C@@H]1C[C@H]1C 0e57680fa8952696ce0012ec8117c7ed [0,1,0,1,0,0|1,0,1]=4 3493 B11R1.235 COC(=O)COC[C@H]1C[C@@H]1C f7f3e3103956f375d92f46e823eb60c6 [0,1,0,1,0,0|1,0,1]=4 3494 B11R1.237 COC(=O)/C=C/CNC1CC1 fb39fc65e5c9af4e9a1abcb7740f2c17 [0,1,0,1,0,0|1,0,0]=3 3495 B11R1.237 COC(=O)/C=C/COC1CC1 58a401c2970cee1259998a85a76029e7 [0,1,0,1,0,0|1,0,0]=3 3496 B11R1.237 COC(=O)/C=C\CNC1CC1 62d521d5cbc7e6e3c47e5602fd64ea5c [0,1,0,1,0,0|1,0,0]=3 3497 B11R1.237 COC(=O)/C=C\COC1CC1 6f0b84e407a503acf1c2d225743621b5 [0,1,0,1,0,0|1,0,0]=3 3498 B11R1.237 COC(=O)C=CCNC1CC1 6f7eb8fc8510a7d29c3c06ba63803afd [0,1,0,1,0,0|1,0,0]=3 3499 B11R1.237 COC(=O)C=CCOC1CC1 818a57deec09a53a2628fea6d8db8755 [0,1,0,1,0,0|1,0,0]=3 3500 B11R1.237 COC(=O)CNCCC1CC1 ad9b2757e698349a4cc88ccd892e85c6 [0,1,0,1,0,0|1,0,1]=4 3501 B11R1.237 COC(=O)COCCC1CC1 3f5d9037052dd112f065415a5e13b31e [0,1,0,1,0,0|1,0,1]=4 3502 B11R1.237 O=C(CNCCC1CC1)NO 84fc1b5135249221f2cf8afafeadfaf0 [0,1,0,1,0,0|1,0,1]=4 3503 B11R1.237 O=C(CO)CNCCC1CC1 b8f19c9e01727926fa644d5ba0e6cf92 [0,1,0,1,0,0|1,0,1]=4 3504 B11R1.266 CCN1CCC=C(C1)C(=O)O bd5d0a587e6607e4098300762726f647 [0,1,0,1,0,0|1,0,0]=3 3505 B11R1.266 O=C(O)C1=CCCN(C1)CF cc475fbba6d8f0096d07b10930e52c3c [0,1,0,1,0,0|2,0,0]=4 3506 B11R1.266 O=C(O)C1=CCCN(C1)CO 233496f616d351a4c530d436b356ee1a [0,1,0,1,0,0|2,0,0]=4 3507 B11R1.313 CC1C(CCN1CC(=O)O)O 027f7a9d3e364d40f593f2ca6063316d [0,1,0,1,0,0|1,0,1]=4 3508 B11R1.313 C[C@@H]1[C@@H](CCN1CC(=O)O)O cc6ac21c98b705816d21ff94a7475db9 [0,1,0,1,0,0|1,0,1]=4 3509 B11R1.313 C[C@H]1[C@H](CCN1CC(=O)O)O bf39d673616a4042c12a9618547d11c0 [0,1,0,1,0,0|1,0,1]=4 3510 B11R1.717 CC1(CC1)CCOCC(=O)O 84d2d064838dc51066d8cc48d84c03d3 [0,1,0,1,0,0|1,0,1]=4 3511 B11R1.717 CC1(CC1)NC/C=C/C(=O)O e49112195d5139122a3a8eb1ce7b2fa0 [0,1,0,1,0,0|1,0,0]=3 3512 B11R1.717 CC1(CC1)NCC=CC(=O)O c3400b262abc1140aaf3dd39e0e725ed [0,1,0,1,0,0|1,0,0]=3 3513 B11R1.717 O=C(O)CNCCC1(CC1)O 72d291a3152845217abc0b1d9fed8988 [0,1,0,1,0,0|1,0,1]=4 3514 B11R1.1 CCCOC1C=CC(=O)CO1 8b7a945c26a747aefbecab3496a56714 [0,1,0,1,0,0|1,0,0]=3 3515 B11R1.1 COCOC1C=CC(=O)CO1 7c921285736b450b5c012d7ecc0396fb [0,1,0,1,0,0|2,0,0]=4 3516 B11R1.1 CSCOC1C=CC(=O)CO1 f48feaa2446417308f3b29993428cc9d [0,1,0,1,0,0|2,0,0]=4 3517 B11R1.1 O=C1C=CC(OC1)OCCF a845b4ed0543a18fe24a9d2a105bcf91 [0,1,0,1,0,0|2,0,0]=4 3518 B11R1.1 O=C1C=CC(OC1)OCCS bd50cb000fbe1f839142a0074cf4f49b [0,1,0,1,0,0|2,0,0]=4 3519 B11R1.25 COC(=O)CNC1CCCC1 b87ff11671c5cc80045ee4f67f2c7d8b [0,1,0,1,0,0|1,0,1]=4 3520 B11R1.25 COC(=O)COC1CCCC1 085020e1b123128ec3ee74cb59ea108d [0,1,0,1,0,0|1,0,1]=4 3521 B11R1.25 O=C(CNC1CCCC1)NO 89cbd613c50f10b0b8f988b59fa404c3 [0,1,0,1,0,0|1,0,1]=4 3522 B11R1.25 O=C(CO)CNC1CCCC1 d04a6ed6af16e8c43144caf464503e98 [0,1,0,1,0,0|1,0,1]=4 3523 B11R1.25 O=C(CO)NCC1CCCC1 f7ac91afe6b6e514190cbfb9dcc5af90 [0,1,0,1,0,0|1,0,1]=4 3524 B11R1.59 CCC1CCCN1C(=O)CO a6fe23a8d97bd8a3bcaaf6c6878f2b20 [0,1,0,1,0,0|1,0,1]=4 3525 B11R1.59 CC[C@@H]1CCCN1C(=O)CO e9a793273f1ff379a973956361ab8bb9 [0,1,0,1,0,0|1,0,1]=4 3526 B11R1.214 CCCNc1ccc(o1)C=O 157921eba9f91c94ea1ecb526a3986f3 [0,1,0,1,0,0|1,0,1]=4 3527 B11R1.214 CCOCc1ccc(o1)C=O d906276a7b7d10291d3f2263a48e8a07 [0,1,0,1,0,0|1,0,1]=4 3528 B11R1.222 CC1CCCCN1C(=O)CO f2377579275bd5ba13851bbc93dd16bd [0,1,0,1,0,0|1,0,1]=4 3529 B11R1.222 C[C@@H]1CCCCN1C(=O)CO d453731bdb038659b97a613a0b95de07 [0,1,0,1,0,0|1,0,1]=4 3530 B11R1.222 C[C@H]1CCCCN1C(=O)CO 754de7529e354e1000f4a6e493fc95f0 [0,1,0,1,0,0|1,0,1]=4 3531 B11R1.223 COC(=O)CN[C@@H]1CC[C@H]1C 8cc1099987a14755bb326b9cf2f92721 [0,1,0,1,0,0|1,0,1]=4 3532 B11R1.223 COC(=O)CN[C@H]1CC[C@H]1C 1fa625a5e83c05d76a7f8e7f14f61158 [0,1,0,1,0,0|1,0,1]=4 3533 B11R1.223 C[C@@H]1CC[C@@H]1NCC(=O)CO 97a8fc2b760b23a6f737b3dad9b4ae86 [0,1,0,1,0,0|1,0,1]=4 3534 B11R1.223 C[C@@H]1CC[C@H]1NCC(=O)CO 6dd9670028d937b5a034776e5a764383 [0,1,0,1,0,0|1,0,1]=4 3535 B11R1.228 CC1CCCN1CC(=O)CO 48c439525fb44bebefe56d5c379aadfe [0,1,0,1,0,0|1,0,1]=4 3536 B11R1.228 COC(=O)CN1CCCC1C a42739d97a82c5ae3be363bbad65c1e8 [0,1,0,1,0,0|1,0,1]=4 3537 B11R1.228 COC(=O)CN1CCC[C@@H]1C 1192220f15b69db24025cd75b8c5c11e [0,1,0,1,0,0|1,0,1]=4 3538 B11R1.228 COC(=O)CN1CCC[C@H]1C bf37025eab3cd6aff9a0e0a086a3cf6c [0,1,0,1,0,0|1,0,1]=4 3539 B11R1.228 C[C@@H]1CCCN1CC(=O)CO b3ea2f4a068c373e88e44b4411c99427 [0,1,0,1,0,0|1,0,1]=4 3540 B11R1.228 C[C@H]1CCCN1CC(=O)CO 88d749d3da97cb7eb9ddecfd5dc56ee5 [0,1,0,1,0,0|1,0,1]=4 3541 B11R1.236 COC(=O)/C=C/CN1CCC1 fdf769d6953d84152876c5b19bfd7cdd [0,1,0,1,0,0|1,0,0]=3 3542 B11R1.236 COC(=O)/C=C\CN1CCC1 28644bf173cd3e0d1b1fe2c6b528c0f8 [0,1,0,1,0,0|1,0,0]=3 3543 B11R1.236 COC(=O)C=CCN1CCC1 83466418865fb8383c7ef2efb622b0e7 [0,1,0,1,0,0|1,0,0]=3 3544 B11R1.236 COC(=O)CNCC1CCC1 09171f32f7240e23e29fdd51fc4c3059 [0,1,0,1,0,0|1,0,1]=4 3545 B11R1.236 COC(=O)COCC1CCC1 4ff67b75b106ed4edba88ae986d451f1 [0,1,0,1,0,0|1,0,1]=4 3546 B11R1.236 O=C(CNCC1CCC1)NO 7bcc7514ef25e9e80be0fcfbfc0cbb36 [0,1,0,1,0,0|1,0,1]=4 3547 B11R1.236 O=C(CO)CNCC1CCC1 993ba7f452c982512f0f419e9c680224 [0,1,0,1,0,0|1,0,1]=4 3548 B11R1.236 O=C(CO)NCCC1CCC1 f59f4eeda3cb1582dbdb1bc5045760ec [0,1,0,1,0,0|1,0,1]=4 3549 B11R1.272 CCC1CCN1CC(=O)CO 027cf008072f0930a17c769a6ab846d9 [0,1,0,1,0,0|1,0,1]=4 3550 B11R1.272 CCC1CCN1CC(=O)OC 5734891ca1bd5022570b4186c00e22c2 [0,1,0,1,0,0|1,0,1]=4 3551 B11R1.852 O=C(CO)N1CCCCCC1 d1c31dd67819daac890df5180aa87f09 [0,1,0,1,0,0|1,0,1]=4 3552 B11R1.35 CC(=O)C(=O)NC1CCCC1 f704b70c21664a6eaba4b87c22628002 [0,1,0,1,0,0|2,0,0]=4 3553 B11R1.35 CC(OC1CCCC1)C(=O)O 6f273f844b7ca9d87f77a94af82fb62d [0,1,0,1,0,0|1,0,1]=4 3554 B11R1.35 C[C@@H](OC1CCCC1)C(=O)O a1fc4e9cba7d40a934438400ad4e6069 [0,1,0,1,0,0|1,0,1]=4 3555 B11R1.35 C[C@H](OC1CCCC1)C(=O)O 37f601e418b7cf2cc26612e5e0309bef [0,1,0,1,0,0|1,0,1]=4 3556 B11R1.35 NC(=O)C(=O)NC1CCCC1 4bb63d691c2c0fa9fff2858955bc6e52 [0,1,0,1,0,0|2,0,0]=4 3557 B11R1.35 O=C(O)C(F)OC1CCCC1 b49cbcec626a1b62673ee05731fa0287 [0,1,0,1,0,0|1,0,1]=4 3558 B11R1.35 O=C(O)C(O)NC1CCCC1 d0f1ed9201a502363c89b3db85d4691e [0,1,0,1,0,0|1,0,1]=4 3559 B11R1.89 CC(=O)C(=O)N1CCCC1C 94be301869f11bc754cf9e5198d25da7 [0,1,0,1,0,0|2,0,0]=4 3560 B11R1.89 CC(=O)C(=O)N1CCC[C@@H]1C 8ed8aa7d62a725d52867b183989e9d65 [0,1,0,1,0,0|2,0,0]=4 3561 B11R1.89 CC(=O)C(=O)N1CCC[C@H]1C 3aa6029131d2092c441c978d205b21e1 [0,1,0,1,0,0|2,0,0]=4 3562 B11R1.89 CC1CCCN1C(=O)C(=O)N 3f4eef5f4edac51c80d04c729df772da [0,1,0,1,0,0|2,0,0]=4 3563 B11R1.89 CC1CCCN1C(F)C(=O)O b7cccfe4684c03e26505ebe1ae2e929a [0,1,0,1,0,0|1,0,1]=4 3564 B11R1.89 C[C@@H]1CCCN1C(=O)C(=O)N 5bb788e57830337d9e0accc0b9d72263 [0,1,0,1,0,0|2,0,0]=4 3565 B11R1.89 C[C@@H]1CCCN1C(F)C(=O)O 9162c8c7da16295fabbc65b0f61db831 [0,1,0,1,0,0|1,0,1]=4 3566 B11R1.89 C[C@H]1CCCN1C(=O)C(=O)N 73646f905367865bb10e83d5eb5520aa [0,1,0,1,0,0|2,0,0]=4 3567 B11R1.89 C[C@H]1CCCN1C(F)C(=O)O d8bc16ad09964b3764afbc56a3202130 [0,1,0,1,0,0|1,0,1]=4 3568 B11R1.104 C=C(CNC1CC1C)C(=O)O e6cad2d30d9d3dd7132c09f6cc499a07 [0,1,0,1,0,0|1,0,1]=4 3569 B11R1.104 CC1CC1NCC(=O)C(=O)O 5dd72fa25173bcca3ca3bd58d459469e [0,1,0,1,0,0|1,0,1]=4 3570 B11R1.142 CC(=O)C(=O)N[C@@H]1CC[C@H]1C 7e8b2bed261565c0b1ae7488c405ee98 [0,1,0,1,0,0|2,0,0]=4 3571 B11R1.142 CC(=O)C(=O)N[C@H]1CC[C@H]1C 1a2def9ac8067f1f94aba6f920322138 [0,1,0,1,0,0|2,0,0]=4 3572 B11R1.142 CC(N[C@@H]1CC[C@H]1C)C(=O)O 1ffbb64bdb3ef753e861f8b22d34fee5 [0,1,0,1,0,0|1,0,1]=4 3573 B11R1.142 CC(N[C@H]1CC[C@H]1C)C(=O)O d1283d9d86337bd53e0300b09e8f53b9 [0,1,0,1,0,0|1,0,1]=4 3574 B11R1.142 C[C@@H]1CC[C@@H]1NC(=O)C(=O)N 82fd83c0188c764eb27d24df4df8168e [0,1,0,1,0,0|2,0,0]=4 3575 B11R1.142 C[C@@H]1CC[C@@H]1NC(F)C(=O)O 79a0e0e6c84d7b9e204d713cfd3bacea [0,1,0,1,0,0|1,0,1]=4 3576 B11R1.142 C[C@@H]1CC[C@@H]1N[C@@H](F)C(=O)O 9c44f8410cbcfba42dce6f296a22c986 [0,1,0,1,0,0|1,0,1]=4 3577 B11R1.142 C[C@@H]1CC[C@@H]1N[C@H](C)C(=O)O 5827295c92c2b2c36971a6377a1abdd4 [0,1,0,1,0,0|1,0,1]=4 3578 B11R1.142 C[C@@H]1CC[C@H]1NC(=O)C(=O)N 94b7c0277c656b200a0fc4034f9dcced [0,1,0,1,0,0|2,0,0]=4 3579 B11R1.142 C[C@@H]1CC[C@H]1NC(F)C(=O)O a28fa490aefee2174a9321d9bb98e48b [0,1,0,1,0,0|1,0,1]=4 3580 B11R1.142 C[C@@H]1CC[C@H]1N[C@@H](F)C(=O)O 7bab7e7d3ce0a8b244da76ba5d82533f [0,1,0,1,0,0|1,0,1]=4 3581 B11R1.142 C[C@@H]1CC[C@H]1N[C@H](C)C(=O)O 196099e111575c0f2007f15925099382 [0,1,0,1,0,0|1,0,1]=4 3582 B11R1.142 C[C@H](N[C@@H]1CC[C@H]1C)C(=O)O 3a34ff4bf781c16dfa544250ccf51d7a [0,1,0,1,0,0|1,0,1]=4 3583 B11R1.142 C[C@H](N[C@H]1CC[C@H]1C)C(=O)O 23e9de502bae7b21ffcf34343853e5fa [0,1,0,1,0,0|1,0,1]=4 3584 B11R1.231 CC1=CC(OC1=O)OCCF 67a7daa3ad0152c4758e6514f8daee5f [0,1,0,1,0,0|2,0,0]=4 3585 B11R1.231 CC1=CC(OC1=O)OCCS 0269f691d70fda2684dda12337e015dd [0,1,0,1,0,0|2,0,0]=4 3586 B11R1.231 CCCOC1C=C(C(=O)O1)C 4d989c7697414fd54302ce136ee31bee [0,1,0,1,0,0|1,0,0]=3 3587 B11R1.231 COCOC1C=C(C(=O)O1)C 19e4b4c4b95c727e9b46f5c899fd26ec [0,1,0,1,0,0|2,0,0]=4 3588 B11R1.270 CCC1CCN1C(=O)C(=O)C dbcef458f2d32b81c417b773c5f1f458 [0,1,0,1,0,0|2,0,0]=4 3589 B11R1.270 CCC1CCN1C(=O)C(=O)N 1011beefdb059f048a3fd430f1341806 [0,1,0,1,0,0|2,0,0]=4 3590 B11R1.270 CCC1CCN1C(C)C(=O)O f2cf92c3482e64d9ac87d0694f7a1621 [0,1,0,1,0,0|1,0,1]=4 3591 B11R1.270 CCC1CCN1[C@@H](C)C(=O)O c33bf774890dee34b2ff0adc3dbbae15 [0,1,0,1,0,0|1,0,1]=4 3592 B11R1.270 CCC1CCN1[C@H](C)C(=O)O 92ae2345513636e219ef6f9c83f2c698 [0,1,0,1,0,0|1,0,1]=4 3593 B11R1.332 C=C(CNC1CCC1)C(=O)O 2ce221dd23f609526d53eb15171427d8 [0,1,0,1,0,0|1,0,1]=4 3594 B11R1.332 C=C(COC1CCC1)C(=O)O 43947829e9a0c328c6811ab6efbaa07d [0,1,0,1,0,0|1,0,1]=4 3595 B11R1.332 CC(=O)C(=O)NCC1CCC1 1725dc5f107131ba71e6a9d744031eeb [0,1,0,1,0,0|2,0,0]=4 3596 B11R1.332 CC(NCC1CCC1)C(=O)O 38f15465e5417a0d616dd56f22e9167a [0,1,0,1,0,0|1,0,1]=4 3597 B11R1.332 CC(OCC1CCC1)C(=O)O b74dd42af23890254e15d6b38e020813 [0,1,0,1,0,0|1,0,1]=4 3598 B11R1.332 C[C@@H](NCC1CCC1)C(=O)O af8b264699f79c8dc38d56dc63b1bdf2 [0,1,0,1,0,0|1,0,1]=4 3599 B11R1.332 C[C@@H](OCC1CCC1)C(=O)O 72771ee34be26400634d1a883d60303b [0,1,0,1,0,0|1,0,1]=4 3600 B11R1.332 C[C@H](NCC1CCC1)C(=O)O e67dd5ad3e452b3c680db7464aa38999 [0,1,0,1,0,0|1,0,1]=4 3601 B11R1.332 C[C@H](OCC1CCC1)C(=O)O ade2d3b469bb11b558a486c50a5894d9 [0,1,0,1,0,0|1,0,1]=4 3602 B11R1.332 NC(=O)C(=O)NCC1CCC1 5fd6ca41a6f77b71b0bc2c32509b58a8 [0,1,0,1,0,0|2,0,0]=4 3603 B11R1.332 O=C(O)C(=O)CNC1CCC1 15e9f84f74fa2d58c32d857f0a082b74 [0,1,0,1,0,0|1,0,1]=4 3604 B11R1.332 O=C(O)C(=O)COC1CCC1 e79d7cbef8ddd23bd05a437421546a48 [0,1,0,1,0,0|1,0,1]=4 3605 B11R1.332 O=C(O)C(O)NCC1CCC1 cce89c36b3815d246082d361ba771dc5 [0,1,0,1,0,0|1,0,1]=4 3606 B11R1.333 C=C(CNCC1CC1)C(=O)O 14fe9a3aa22d0a28cbd06146a1df1d4c [0,1,0,1,0,0|1,0,1]=4 3607 B11R1.333 C=C(COCC1CC1)C(=O)O c53f78a8795df3a51af83099703782a7 [0,1,0,1,0,0|1,0,1]=4 3608 B11R1.333 CC(=O)C(=O)NCCC1CC1 f199b236266bd0301c6a298823697605 [0,1,0,1,0,0|2,0,0]=4 3609 B11R1.333 CC(NCCC1CC1)C(=O)O 12da03282728c519781565c4331049c6 [0,1,0,1,0,0|1,0,1]=4 3610 B11R1.333 CC(OCCC1CC1)C(=O)O 52c2e6990bc0b5338dee1b1b69b345a9 [0,1,0,1,0,0|1,0,1]=4 3611 B11R1.333 C[C@@H](NCCC1CC1)C(=O)O ac4f0b7c9758246c1f4cd075670c8ef4 [0,1,0,1,0,0|1,0,1]=4 3612 B11R1.333 C[C@@H](OCCC1CC1)C(=O)O a5c5dffa01382c9ba150925608aa7940 [0,1,0,1,0,0|1,0,1]=4 3613 B11R1.333 C[C@H](NCCC1CC1)C(=O)O a4e0316dfdfa2a22587f52c76f81aa9b [0,1,0,1,0,0|1,0,1]=4 3614 B11R1.333 C[C@H](OCCC1CC1)C(=O)O b166bab51dcc84303125f1e589cf607b [0,1,0,1,0,0|1,0,1]=4 3615 B11R1.333 NC(=O)C(=O)NCCC1CC1 189e58915e871ae778b9bf736a7ae862 [0,1,0,1,0,0|2,0,0]=4 3616 B11R1.333 O=C(O)C(=O)CNCC1CC1 59a4cc8750b75904234f42c16fca6460 [0,1,0,1,0,0|1,0,1]=4 3617 B11R1.333 O=C(O)C(=O)COCC1CC1 ae51bf24d332f5975e1b7f6e15dd8531 [0,1,0,1,0,0|1,0,1]=4 3618 B11R1.333 O=C(O)C(O)NCCC1CC1 6ff824c1d8550a7200d7b4dd5dfa178d [0,1,0,1,0,0|1,0,1]=4 3619 B11R1.346 CC(OCC(=O)O)C1CCC1 066583baf102524e80d3fb738c8cd291 [0,1,0,1,0,0|1,0,1]=4 3620 B11R1.346 C[C@H](OCC(=O)O)C1CCC1 371cce56e514d4f447c1b1d51b984e41 [0,1,0,1,0,0|1,0,1]=4 3621 B11R1.348 CC(CC1CC1)OCC(=O)O 56344f8474d1c6d7aeaf5b9433db0195 [0,1,0,1,0,0|1,0,1]=4 3622 B11R1.495 CC1CCC(N1CC(=O)O)C 82bc7be0c89ef26a48c8a8411ffd3a1d [0,1,0,1,0,0|1,0,1]=4 3623 B11R1.495 C[C@@H]1CC[C@@H](N1CC(=O)O)C 5676d19891f1f809a1f2098b1852797f [0,1,0,1,0,0|1,0,1]=4 3624 B11R1.495 C[C@@H]1CC[C@H](N1CC(=O)O)C 43b394afcf902173c0fe5924a5549fea [0,1,0,1,0,0|1,0,1]=4 3625 B11R1.495 C[C@H]1CC[C@@H](N1CC(=O)O)C 7a069bfb7b0f52710893d2913f049174 [0,1,0,1,0,0|1,0,1]=4 3626 B11R1.713 CC1(CCCC1)NCC(=O)O 3d28367f00bcd012127894952d69c332 [0,1,0,1,0,0|1,0,1]=4 3627 B11R1.234 CC1(CCCN1CC(=O)O)C 2223b1f7c6cd4011d8061d50699b946c [0,1,0,1,0,0|1,0,1]=4 3628 B11R1.922 CC1(CCC1OCC(=O)O)C 23cb039e8e81ec4a0412527409122c49 [0,1,0,1,0,0|1,0,1]=4 3629 B11R1.923 CC1(CC1COCC(=O)O)C 79fb3ba1c2c2d628e1bb816b76269df7 [0,1,0,1,0,0|1,0,1]=4 3630 B11R1.923 CC1(CN1C/C=C/C(=O)O)C cfd6ba9bd054cefe20637b69e222c75c [0,1,0,1,0,0|1,0,0]=3 3631 B11R1.923 CC1(CN1CC=CC(=O)O)C 5535b5f760cb22fdfc8f2ae8e41d1157 [0,1,0,1,0,0|1,0,0]=3 3632 B11R1.923 CC1(C[C@@H]1CNCC(=O)O)C 4392f115b1d40bd4f7fde52b3a661e38 [0,1,0,1,0,0|1,0,1]=4 3633 B11R1.923 CC1(C[C@@H]1COCC(=O)O)C 16c40d84ceddeaf3dbb7228ebc6f18f7 [0,1,0,1,0,0|1,0,1]=4 3634 B11R1.923 CC1(C[C@H]1CNCC(=O)O)C 5c16323b42b56d53d98b9950e21d3160 [0,1,0,1,0,0|1,0,1]=4 3635 B11R1.923 CC1(C[C@H]1COCC(=O)O)C db822f5c2cbb207262d84f6ca4925658 [0,1,0,1,0,0|1,0,1]=4 3636 B11R2.351 O=C1C=CC(C1)OC2CC2 c28d48ecbebd1536cff940f50e67e9d5 [0,0,0,2,0,0|2,0,0]=4 3637 B11R2.351 O=C1C=CC(O1)OC2CC2 eecbe796fea5d88d35c1581eed381a69 [0,0,0,2,0,0|1,0,0]=3 3638 B11R2.351 O=C1C=C[C@@H](C1)OC2CC2 19a1fa50b92fb82e788fcbbbb7b1a30e [0,0,0,2,0,0|2,0,0]=4 3639 B11R2.860 O=C(O)CN1C2C1CCC2 c0fc82cf3662ea06a0ff8d5982dd3286 [0,0,0,2,0,0|1,0,1]=4 3640 B11R2.932 O=C(O)CN1CCC2C1C2 48ad542dcaee2147e97d4de3ec4b42d0 [0,0,0,2,0,0|1,0,1]=4 3641 B11R2.934 O=C(O)CN1CC2CC2C1 3467b00848314b6822feff70d781421a [0,0,0,2,0,0|1,0,1]=4 3642 B11R2.855 O=C(O)CN1CC2CC1C2 fc9ddbe94b0e13775ed9b81fbbc1934c [0,0,0,2,0,0|1,0,1]=4