0 B11R1.28 BrCCNCc1ccccc1 ac057fc43e8d6ea85181427003cd8239 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.28 C#CCCNc1ccccc1 a50e6468b9593b4ac45e12d5e3b3638a [0,0,0,0,0,0|3,0,1]=4 2 B11R1.28 C#CCNCc1ccccc1 5ab7d08152aaaf12430a9163e509ecd1 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.28 C#CCOCc1ccccc1 4aff10236737b564a9b29132113db7f4 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.28 C/C=C/CNc1ccccc1 e02cbeaffef0ff2c4795b558e93457ed [0,0,0,0,0,0|3,0,1]=4 5 B11R1.28 C/C=C\CNc1ccccc1 f25f4c9ee5d52b5a340bd4a7fd720817 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.28 C=CCCNc1ccccc1 41e5ae44107c117783190eb282a3dc50 [0,0,0,0,0,0|3,0,1]=4 7 B11R1.28 C=CCNCc1ccccc1 c3088ea78b0f7fe35bdb5a0a79f4eb2a [0,0,0,0,0,0|3,0,1]=4 8 B11R1.28 C=CCOCc1ccccc1 38f1b42f9627b73302287ed7d9c08f3f [0,0,0,0,0,0|3,0,1]=4 9 B11R1.28 CC=CCNc1ccccc1 c43b41b8b675349badfe26c48e3f7c5f [0,0,0,0,0,0|3,0,1]=4 10 B11R1.28 CCCCNc1ccccc1 178647391839dfbe95aed182d7dc43ba [0,0,0,0,0,0|3,0,1]=4 11 B11R1.28 CCCNCc1ccccc1 6e74fa6187fccbc3617e9cc264b3e7aa [0,0,0,0,0,0|3,0,1]=4 12 B11R1.28 CCCOCc1ccccc1 112c1e14e862b8fbffa225764759b8ec [0,0,0,0,0,0|3,0,1]=4 13 B11R1.28 CCNCCc1ccccc1 a4bcdd097e726e04ab2794cdb42f5f71 [0,0,0,0,0,0|1,0,2]=3 14 B11R1.28 CCNCCc1ccccn1 08ffb64a8c703d8e611cb4b81d73ea48 [0,0,0,0,0,0|2,0,2]=4 15 B11R1.28 CCNCCc1cccnc1 4a3a0c73e4e732e57ab84a312bb6bfb2 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.28 CCNCCc1ccncc1 8e4e115f84a67e767e5e9ff1560cacbe [0,0,0,0,0,0|2,0,2]=4 17 B11R1.28 CCOCCc1ccccc1 4c8fc52cc53157c0b0cd10959d18f86a [0,0,0,0,0,0|2,0,1]=3 18 B11R1.28 CCOCCc1ccccn1 0d3553a98e2eb283c6e354f56bb7c09d [0,0,0,0,0,0|3,0,1]=4 19 B11R1.28 CCOCCc1cccnc1 fde9743ce24696d5aa5aa82dfaaaf4a7 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.28 CCOCCc1ccncc1 630579b198392670c66e884689fb17ef [0,0,0,0,0,0|3,0,1]=4 21 B11R1.28 CCOCNc1ccccc1 00b4118c5fbc36d206f093517b5cafbb [0,0,0,0,0,0|3,0,1]=4 22 B11R1.28 COCCNc1ccccc1 5ef0d3255ad59be77d905fd9c0e71e6d [0,0,0,0,0,0|4,0,0]=4 23 B11R1.28 COCNCc1ccccc1 658bb4bb78d053244c07843f6f02f062 [0,0,0,0,0,0|4,0,0]=4 24 B11R1.28 COCOCc1ccccc1 33758b3ae4df68a136cb96076fbeb2ee [0,0,0,0,0,0|4,0,0]=4 25 B11R1.28 CSCCNc1ccccc1 f8eb965b60d0615781c928cdcd30bc15 [0,0,0,0,0,0|4,0,0]=4 26 B11R1.28 CSCNCc1ccccc1 5b3aef5f0ecdedc4b2903ec980e5dc72 [0,0,0,0,0,0|4,0,0]=4 27 B11R1.28 CSCOCc1ccccc1 5941de554d8996d7d45b8f8eee2daf73 [0,0,0,0,0,0|4,0,0]=4 28 B11R1.28 Cl/C=C/CNc1ccccc1 2c44d12ba68cdacdd9e9917c4f75a2d7 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.28 Cl/C=C\CNc1ccccc1 99831c517c8f2e8a372e55388ab37fa9 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.28 ClCCCNc1ccccc1 b7f587f82b83ca90917a5139ff536b22 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.28 FCCCNc1ccccc1 b3f41abfb84c10f658d04a58ad820f46 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.28 FCCNCc1ccccc1 562ef8707f4288c2162274968d966312 [0,0,0,0,0,0|3,0,1]=4 33 B11R1.28 FCCOCc1ccccc1 d9b83bdc5263ec616987dc5988d5ee5b [0,0,0,0,0,0|3,0,1]=4 34 B11R1.28 FCNCCc1ccccc1 0081f6dcce701ffe77378524f92f490b [0,0,0,0,0,0|1,0,2]=3 35 B11R1.28 FCNCCc1ccccn1 e15d9eaa28b96f67f0199ee7ab918bb8 [0,0,0,0,0,0|2,0,2]=4 36 B11R1.28 FCNCCc1cccnc1 ca44ff0aa2770a7476d8fe29ab7de27f [0,0,0,0,0,0|2,0,2]=4 37 B11R1.28 FCNCCc1ccncc1 534789a7dc9aa58bac25bdd251ebaa53 [0,0,0,0,0,0|2,0,2]=4 38 B11R1.28 FCOCCc1ccccc1 f68582be9a805c98452f747e5a13d902 [0,0,0,0,0,0|2,0,1]=3 39 B11R1.28 FCOCCc1ccccn1 a87eac3bbe6c96cceb2ad793702bad9f [0,0,0,0,0,0|3,0,1]=4 40 B11R1.28 FCOCCc1cccnc1 95fb7ccc93ac5365251261a770f3e438 [0,0,0,0,0,0|3,0,1]=4 41 B11R1.28 FCOCCc1ccncc1 6e5a2cb5c96fa3a2dd4f846c43af9a9a [0,0,0,0,0,0|3,0,1]=4 42 B11R1.28 ICCNCc1ccccc1 697ca1617b546014ae02b06ad2981d8a [0,0,0,0,0,0|3,0,1]=4 43 B11R1.28 N#CCCNc1ccccc1 11cc2433e70294ae10477f88fd0e31d0 [0,0,0,0,0,0|3,0,1]=4 44 B11R1.28 N#CCNCc1ccccc1 f23a3b4a1088925db39a0117b8e4d4c1 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.28 N#CCOCc1ccccc1 c6fb0c0fa9f97c70e5fbc997cccd1b4f [0,0,0,0,0,0|3,0,1]=4 46 B11R1.28 N#CNCCc1ccccc1 cc0f6fa18b1c1eb0550ef90401294e13 [0,0,0,0,0,0|1,0,2]=3 47 B11R1.28 N#CNCCc1ccccn1 6a52f53dd6b8c94fd37432a5813238ef [0,0,0,0,0,0|2,0,2]=4 48 B11R1.28 N#CNCCc1cccnc1 f0c5d03a6f657080b74ba5a11f7b4a9a [0,0,0,0,0,0|2,0,2]=4 49 B11R1.28 N#CNCCc1ccncc1 45214e3075259d9d556e019a6c6cd68b [0,0,0,0,0,0|2,0,2]=4 50 B11R1.28 NOCCNc1ccccc1 6c5b7062e9d75a57daf03317347aff96 [0,0,0,0,0,0|4,0,0]=4 51 B11R1.28 O/C=C\CNc1ccccc1 8e43d75b756e053c042884ec195cf7a7 [0,0,0,0,0,0|2,1,1]=4 52 B11R1.28 O=CCCNc1ccccc1 5adfd28b693cf17e4441c0e8b873a1f0 [0,0,0,0,0,0|2,1,1]=4 53 B11R1.28 O=CCNCc1ccccc1 2b4b8121ff6ad050b40b87d13d8f5a1a [0,0,0,0,0,0|2,1,1]=4 54 B11R1.28 O=CCOCc1ccccc1 7bd4c1ac5902422e7c3cafad9115c4f2 [0,0,0,0,0,0|2,1,1]=4 55 B11R1.28 O=CNCCc1ccccc1 d1fab3f35b45ae0bc45cf7bf9f19384c [0,0,0,0,0,0|0,1,2]=3 56 B11R1.28 O=CNCCc1ccccn1 36fb465b4a699ed2860619296ed044a4 [0,0,0,0,0,0|1,1,2]=4 57 B11R1.28 O=CNCCc1cccnc1 5111296cce1960f11ad77b3eaf87d913 [0,0,0,0,0,0|1,1,2]=4 58 B11R1.28 O=CNCCc1ccncc1 5e83eff0a4bbf0070c01463bdeac3941 [0,0,0,0,0,0|1,1,2]=4 59 B11R1.28 OCCCNc1ccccc1 6f65c15387fc952c20110ea29ef53956 [0,0,0,0,0,0|2,1,1]=4 60 B11R1.28 OCCNCc1ccccc1 6075728aab81556d5096d2980e4afa2d [0,0,0,0,0,0|2,1,1]=4 61 B11R1.28 OCNCCc1ccccc1 dba1af705064b03a49f56a10af922b9a [0,0,0,0,0,0|0,1,2]=3 62 B11R1.28 OCNCCc1ccccn1 870a6b93d6f817d2b7b76ee4a753e49e [0,0,0,0,0,0|1,1,2]=4 63 B11R1.28 OCNCCc1cccnc1 5a238842d821729331c809bafe95118a [0,0,0,0,0,0|1,1,2]=4 64 B11R1.28 OCNCCc1ccncc1 d4fdef2a16a1c89c93b39a7d349558eb [0,0,0,0,0,0|1,1,2]=4 65 B11R1.28 SCCCNc1ccccc1 0ed9842b503e3cd70fca4624b001f5d8 [0,0,0,0,0,0|2,0,2]=4 66 B11R1.28 SCCNCc1ccccc1 842b711568e585283783756ca8279842 [0,0,0,0,0,0|2,0,2]=4 67 B11R1.28 SCCOCc1ccccc1 ef1d3bfcf77b316513e3e84b7d85c143 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.17 BrCCNc1ccccc1 08c39138e90dcc3ad4c25fdba0569b67 [1,0,0,0,0,0|2,0,1]=4 69 B10R1.17 C#CCNc1ccccc1 61f0baab40ac49dd5c7bdcf3c0e69fb4 [1,0,0,0,0,0|2,0,1]=4 70 B10R1.17 C=CCNc1ccccc1 47db636c74d7e6cdd4488df2cb146b26 [1,0,0,0,0,0|2,0,1]=4 71 B10R1.17 CCCNc1ccccc1 b539dcf8361adb43cc5ffbb8617222f9 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.17 CCNCc1ccccc1 b1285c6596ffdf0473a3780bf23df272 [1,0,0,0,0,0|1,0,2]=4 73 B10R1.17 CCOCc1ccccc1 551a24ad73c54bc42b4e27015fdb411f [1,0,0,0,0,0|2,0,1]=4 74 B10R1.17 COCNc1ccccc1 6c62c6b48b6ce69fe29d4b52e03d5674 [1,0,0,0,0,0|2,0,1]=4 75 B10R1.17 CSCNc1ccccc1 7a27a5c68b132b0ae36908396631930e [1,0,0,0,0,0|2,0,1]=4 76 B10R1.17 FCCNc1ccccc1 f275d2eb426a2818882d3c7dcacca572 [1,0,0,0,0,0|2,0,1]=4 77 B10R1.17 FCNCc1ccccc1 0dcd541b35f2d813e3bd4529f13aa61b [1,0,0,0,0,0|1,0,2]=4 78 B10R1.17 FCOCc1ccccc1 602c85a0828834d1798ab6d91c5aa92b [1,0,0,0,0,0|2,0,1]=4 79 B10R1.17 ICCNc1ccccc1 2e8d29f41a7952c3a309dd8ce57744b3 [1,0,0,0,0,0|2,0,1]=4 80 B10R1.17 N#CCNc1ccccc1 fb8b42e8ff84ada914e54c1d3d6bf55b [1,0,0,0,0,0|2,0,1]=4 81 B10R1.17 N#CNCc1ccccc1 a34d70ab939a88101ebb668f17250d10 [1,0,0,0,0,0|1,0,2]=4 82 B10R1.17 O=CCNc1ccccc1 c4995b86d7297371e551e9130c388474 [1,0,0,0,0,0|1,1,1]=4 83 B10R1.17 O=CNCc1ccccc1 8c79f42269c527e7ed1741ce8019791f [1,0,0,0,0,0|0,1,2]=4 84 B10R1.17 OCCNc1ccccc1 39a30f826fab6ed2b66a9ec4a9dddbdb [1,0,0,0,0,0|1,1,1]=4 85 B10R1.17 OCNCc1ccccc1 c4aaeb48f32c090af3c65531a6e27cd4 [1,0,0,0,0,0|0,1,2]=4 86 B10R1.17 SCCNc1ccccc1 9bbad99372906cf90d9dd5df1e41681f [1,0,0,0,0,0|1,0,2]=4 87 B12R1.1 CCNCCc1ccc(cc1)Br c1e1856c8e561693e17b3fba9688bb01 [0,1,0,0,0,0|1,0,2]=4 88 B12R1.1 CCNCCc1ccc(cc1)C 9668e7887400d136ec1e3eb391085876 [0,1,0,0,0,0|1,0,2]=4 89 B12R1.1 CCNCCc1ccc(cc1)Cl 8e5264010838622c7519fd0dcde4d0b4 [0,1,0,0,0,0|1,0,2]=4 90 B12R1.1 CCNCCc1ccc(cc1)F 1a1f9ac0f1e5162cebd8c21d993978c3 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.1 CCNCCc1ccc(cc1)I a943177ded045228b7557ed18509fc40 [0,1,0,0,0,0|1,0,2]=4 92 B12R1.1 CCOCCc1ccc(cc1)Br 373b968b1c2796bb8ccc0d6636f1b3d3 [0,1,0,0,0,0|2,0,1]=4 93 B12R1.1 CCOCCc1ccc(cc1)C 42e633922cb44e7ff341e38a29688961 [0,1,0,0,0,0|2,0,1]=4 94 B12R1.1 CCOCCc1ccc(cc1)Cl 724e191c5f6d1be9c5d9a12f103488fa [0,1,0,0,0,0|2,0,1]=4 95 B12R1.1 CCOCCc1ccc(cc1)F fd874c97516f9d501a7a7d365142f992 [0,1,0,0,0,0|2,0,1]=4 96 B12R1.1 CCOCCc1ccc(cc1)I e2ec89c0bf90f2dda962bfa898555cdd [0,1,0,0,0,0|2,0,1]=4 97 B12R1.1 Cc1ccc(cc1)CCNC#N 53ca67ea915f9e6fd72cd5b205cad1da [0,1,0,0,0,0|1,0,2]=4 98 B12R1.1 Cc1ccc(cc1)CCNC=O b9ea689c80c53698375479d2429cc620 [0,1,0,0,0,0|0,1,2]=4 99 B12R1.1 Cc1ccc(cc1)CCNCF 55db78b5c6b65959b4c4a038e04170d2 [0,1,0,0,0,0|1,0,2]=4 100 B12R1.1 Cc1ccc(cc1)CCNCO 8265feb14c5c78ac0b9f16d74e5916ae [0,1,0,0,0,0|0,1,2]=4 101 B12R1.1 Cc1ccc(cc1)CCOCF 23e471ed521d6c702e5222c5224f343c [0,1,0,0,0,0|2,0,1]=4 102 B12R1.1 FCNCCc1ccc(cc1)Br 8638beffc47a42ce959ab1c0805990f5 [0,1,0,0,0,0|1,0,2]=4 103 B12R1.1 FCNCCc1ccc(cc1)Cl 70d590d4b56811c02c2e304f3cf87f38 [0,1,0,0,0,0|1,0,2]=4 104 B12R1.1 FCNCCc1ccc(cc1)F c5cbf3f1d30444969ee6f1c3b2a29381 [0,1,0,0,0,0|1,0,2]=4 105 B12R1.1 FCNCCc1ccc(cc1)I cc57343573354e520cfcdabf8150e29c [0,1,0,0,0,0|1,0,2]=4 106 B12R1.1 FCOCCc1ccc(cc1)Br 3d5bf9390babc43444cfa414157b2f9a [0,1,0,0,0,0|2,0,1]=4 107 B12R1.1 FCOCCc1ccc(cc1)Cl c19707c796ee492aada5636e67f70282 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.1 FCOCCc1ccc(cc1)F ccdf7834bb3ad7b62c366a300838c3f0 [0,1,0,0,0,0|2,0,1]=4 109 B12R1.1 FCOCCc1ccc(cc1)I ac6c9e6f007389bdbaa2b46b1b627f52 [0,1,0,0,0,0|2,0,1]=4 110 B12R1.1 N#CNCCc1ccc(cc1)Br 5af6e1de133ac6c38132d9c2bb719737 [0,1,0,0,0,0|1,0,2]=4 111 B12R1.1 N#CNCCc1ccc(cc1)Cl cbc80e9cb78aa388d33fe02e66366e8b [0,1,0,0,0,0|1,0,2]=4 112 B12R1.1 N#CNCCc1ccc(cc1)F e895d9ad10cddcab11108a5f8ab4f2fe [0,1,0,0,0,0|1,0,2]=4 113 B12R1.1 N#CNCCc1ccc(cc1)I cde595034f34d325dee902f9ed2025d5 [0,1,0,0,0,0|1,0,2]=4 114 B12R1.1 O=CNCCc1ccc(cc1)Br a5a16a79ad0baaae73c660257a39d530 [0,1,0,0,0,0|0,1,2]=4 115 B12R1.1 O=CNCCc1ccc(cc1)Cl be760cbfa8f8e9a7d79b547f1b10042e [0,1,0,0,0,0|0,1,2]=4 116 B12R1.1 O=CNCCc1ccc(cc1)F ac9fa43783b7ac50441089746444e45f [0,1,0,0,0,0|0,1,2]=4 117 B12R1.1 O=CNCCc1ccc(cc1)I d81b8242c0f14e904792d884acb27d54 [0,1,0,0,0,0|0,1,2]=4 118 B12R1.1 O=CNCCc1ccc(cc1)O 106440dbcf54d08c4e629d45ea4fefe3 [0,1,0,0,0,0|0,1,2]=4 119 B12R1.1 OCNCCc1ccc(cc1)Br 5002fae370904c851fcde267599347c5 [0,1,0,0,0,0|0,1,2]=4 120 B12R1.1 OCNCCc1ccc(cc1)Cl b2f32d28efbf4a7328eb35278d7709ed [0,1,0,0,0,0|0,1,2]=4 121 B12R1.1 OCNCCc1ccc(cc1)F acbd4fb4b98e7917bf59751c1a5767da [0,1,0,0,0,0|0,1,2]=4 122 B12R1.1 OCNCCc1ccc(cc1)I 5ed81d2dff56905aa39a602a1ea05bf7 [0,1,0,0,0,0|0,1,2]=4 123 B12R1.8 BrCCNCCc1ccccc1 44438bbdc203ba2a96e00daceba19cdb [0,1,0,0,0,0|1,0,2]=4 124 B12R1.8 C#CCCCNc1ccccc1 74fc175421dbc3b424699e770c0c2fc6 [0,1,0,0,0,0|2,0,1]=4 125 B12R1.8 C#CCCNCc1ccccc1 9efcf95ab875a3743cf2704fb10ab2d7 [0,1,0,0,0,0|2,0,1]=4 126 B12R1.8 C#CCCOCc1ccccc1 97bbe114df19205ca39f984806a809da [0,1,0,0,0,0|2,0,1]=4 127 B12R1.8 C#CCNCCc1ccccc1 92e5ef2f7dd8ca50296fc5c10a5e2140 [0,1,0,0,0,0|1,0,2]=4 128 B12R1.8 C#CCOCCc1ccccc1 1e82b640f7f45e3a6d3d3fcd5bd127f6 [0,1,0,0,0,0|2,0,1]=4 129 B12R1.8 C/C=C/CNCc1ccccc1 696910dabaeed0573317ce9dc7d987f1 [0,1,0,0,0,0|2,0,1]=4 130 B12R1.8 C/C=C/COCc1ccccc1 bedaf623f7df2efe6975ff88cd723c7c [0,1,0,0,0,0|2,0,1]=4 131 B12R1.8 C/C=C\CNCc1ccccc1 fd8d6b82f6381d759806df05cfd6b008 [0,1,0,0,0,0|2,0,1]=4 132 B12R1.8 C/C=C\COCc1ccccc1 bb9ff25480a2f7ddd7050e8b042c0009 [0,1,0,0,0,0|2,0,1]=4 133 B12R1.8 C=CCCCNc1ccccc1 1d0bca19d381bcc4d59024edc1b06712 [0,1,0,0,0,0|2,0,1]=4 134 B12R1.8 C=CCCNCc1ccccc1 7be44c4294c0af7fca2ca0fbee344b88 [0,1,0,0,0,0|2,0,1]=4 135 B12R1.8 C=CCCOCc1ccccc1 000cda704ecf3c98644bbc2e7f9bf607 [0,1,0,0,0,0|2,0,1]=4 136 B12R1.8 C=CCNCCc1ccccc1 e4db187976e48a8658dbc174b43f52d7 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.8 C=CCOCCc1ccccc1 173678d3e3d21c00d8c7f5a8565ba584 [0,1,0,0,0,0|2,0,1]=4 138 B12R1.8 C=COCCNc1ccccc1 3a1f98f63177a0d5afcfdcd488fa8e7f [0,1,0,0,0,0|2,0,1]=4 139 B12R1.8 CC#CCNCc1ccccc1 8c1f08f42380d385ee55fb616f0806b5 [0,1,0,0,0,0|2,0,1]=4 140 B12R1.8 CC#CCOCc1ccccc1 2b91241b0f7d27af23601ef3b65fea8e [0,1,0,0,0,0|2,0,1]=4 141 B12R1.8 CC=CCNCc1ccccc1 ccb966671e75f827f9356a0f248353fa [0,1,0,0,0,0|2,0,1]=4 142 B12R1.8 CC=CCOCc1ccccc1 dcaa6de30aada804690dc36fa942dd3d [0,1,0,0,0,0|2,0,1]=4 143 B12R1.8 CCCCCNc1ccccc1 91c03911249f1a729a636c2485e854e3 [0,1,0,0,0,0|2,0,1]=4 144 B12R1.8 CCCCNCc1ccccc1 0ab7d34979c69bc4acd6ef46bb666f9a [0,1,0,0,0,0|2,0,1]=4 145 B12R1.8 CCCCOCc1ccccc1 e7a2ea9d8e76018a19cac6b1863869f7 [0,1,0,0,0,0|2,0,1]=4 146 B12R1.8 CCCNCCc1ccccc1 de4634a5b10be0583379bf36a55fd975 [0,1,0,0,0,0|1,0,2]=4 147 B12R1.8 CCCOCCc1ccccc1 6ff048bac0fc069e37a7f6359e53917a [0,1,0,0,0,0|2,0,1]=4 148 B12R1.8 CCNCCCc1ccccc1 b7715a69dd85035a729bcc3298689ab5 [0,1,0,0,0,0|1,0,2]=4 149 B12R1.8 CCNCCOc1ccccc1 d5ddae3ded59ed35e9c0403b52d833f2 [0,1,0,0,0,0|1,0,2]=4 150 B12R1.8 CCOCCCc1ccccc1 95c4d5e38aabc377fa248d955f0dc679 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.8 CCOCCNc1ccccc1 d4241708f39fbdf3b0b47b3411df7d4e [0,1,0,0,0,0|2,0,1]=4 152 B12R1.8 CCOCCOc1ccccc1 7cc50880b35d5d523b8ebe021571ca68 [0,1,0,0,0,0|2,0,1]=4 153 B12R1.8 CCOCCSc1ccccc1 673ed7aececbd7276e2d946a99a864ba [0,1,0,0,0,0|2,0,1]=4 154 B12R1.8 CCOCNCc1ccccc1 ad1ac49e8362d6c3a7ef7f4bc168f4ac [0,1,0,0,0,0|2,0,1]=4 155 B12R1.8 CCSCCNc1ccccc1 3aa28a6af03561c4dff60fa2d0f2630b [0,1,0,0,0,0|2,0,1]=4 156 B12R1.8 COCCCNc1ccccc1 3df3fc4fbaedb1dd760b4a37be035630 [0,1,0,0,0,0|3,0,0]=4 157 B12R1.8 COCCNCc1ccccc1 8a36d3044a8140246d8590cb65467526 [0,1,0,0,0,0|3,0,0]=4 158 B12R1.8 COCCOCc1ccccc1 b9f846e77ac1098b75510b938c502133 [0,1,0,0,0,0|3,0,0]=4 159 B12R1.8 COCNCCc1ccccc1 a912e7467b1cfbc21e322d32a6dcd9f6 [0,1,0,0,0,0|0,1,2]=4 160 B12R1.8 COCOCCc1ccccc1 770adb91b0343cd94d912838fb402d30 [0,1,0,0,0,0|1,1,1]=4 161 B12R1.8 CSCCCNc1ccccc1 4e1411f18abc16ae61e9748ad3fe9913 [0,1,0,0,0,0|3,0,0]=4 162 B12R1.8 CSCCNCc1ccccc1 0d4e7f51d968ec32ec790202ae2a515e [0,1,0,0,0,0|3,0,0]=4 163 B12R1.8 CSCCOCc1ccccc1 84c183c4a4472a4f34bccedb678bad7b [0,1,0,0,0,0|3,0,0]=4 164 B12R1.8 CSCNCCc1ccccc1 8cb9946ee650f17d4a684e0a1795e862 [0,1,0,0,0,0|0,0,3]=4 165 B12R1.8 CSCOCCc1ccccc1 ae45fc1dadd522ae78b6ec0b53b58cbe [0,1,0,0,0,0|1,0,2]=4 166 B12R1.8 Cl/C=C/CNCc1ccccc1 a8bbb089bed3b2a5f6790add18c02ea9 [0,1,0,0,0,0|2,0,1]=4 167 B12R1.8 Cl/C=C/COCc1ccccc1 39b96fd9c849369483b32d20bd300028 [0,1,0,0,0,0|2,0,1]=4 168 B12R1.8 Cl/C=C\CNCc1ccccc1 e1a2a29c75c0d3cbf63e02bd9dd9f68f [0,1,0,0,0,0|2,0,1]=4 169 B12R1.8 Cl/C=C\COCc1ccccc1 469db4a6443d937d123185062feb7af0 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.8 ClC=CCOCc1ccccc1 c5abd2a914006a75903d903e7480679b [0,1,0,0,0,0|2,0,1]=4 171 B12R1.8 ClCCCCNc1ccccc1 8d4b10d9b5325336494f2a30a6b84cc2 [0,1,0,0,0,0|2,0,1]=4 172 B12R1.8 ClCCCNCc1ccccc1 8f799c9e441fd632be62e26270cf2f35 [0,1,0,0,0,0|2,0,1]=4 173 B12R1.8 FCCCCNc1ccccc1 8c2145855632f0dc060333e90dbf6d6e [0,1,0,0,0,0|2,0,1]=4 174 B12R1.8 FCCCNCc1ccccc1 6d1372e4372415cb5d41d01b1ced7571 [0,1,0,0,0,0|2,0,1]=4 175 B12R1.8 FCCCOCc1ccccc1 ec8c223bdd42642bcadc9c3ef97f9c25 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.8 FCCNCCc1ccccc1 361355d651ba3401fa85cac238cfdb0b [0,1,0,0,0,0|1,0,2]=4 177 B12R1.8 FCCOCCc1ccccc1 3b5b20f3626d4389ca61c96c4166e57a [0,1,0,0,0,0|2,0,1]=4 178 B12R1.8 FCNCCCc1ccccc1 36413a7a64ebaf0c06144ade57dac471 [0,1,0,0,0,0|1,0,2]=4 179 B12R1.8 FCNCCOc1ccccc1 614b328619e3beb87099bb0fb4ee3fbb [0,1,0,0,0,0|1,0,2]=4 180 B12R1.8 FCOCCCc1ccccc1 337af886dc35840fb3b320f6a2c82837 [0,1,0,0,0,0|2,0,1]=4 181 B12R1.8 FCOCCOc1ccccc1 f1abda8c43f206c81b6519331a77e9c9 [0,1,0,0,0,0|2,0,1]=4 182 B12R1.8 FCOCCSc1ccccc1 ccf72dbc5c74c757f9876ec0c6e08012 [0,1,0,0,0,0|2,0,1]=4 183 B12R1.8 IC#CCOCc1ccccc1 3a5655442d34ea5643fd66afc2663d8e [0,1,0,0,0,0|2,0,1]=4 184 B12R1.8 ICCNCCc1ccccc1 3d43af0eb4bc8ed1c19be50fd2591b44 [0,1,0,0,0,0|1,0,2]=4 185 B12R1.8 N#CCCCNc1ccccc1 b63d3fad690b955214294824bdee6b3a [0,1,0,0,0,0|2,0,1]=4 186 B12R1.8 N#CCCNCc1ccccc1 4d72f08df781a4a97f9c75c6cad34723 [0,1,0,0,0,0|2,0,1]=4 187 B12R1.8 N#CCCOCc1ccccc1 ee4f67be7b7a1f02f3abb23db1d228e3 [0,1,0,0,0,0|2,0,1]=4 188 B12R1.8 N#CCNCCc1ccccc1 196965f1ea9924e72f23b610f5ed5162 [0,1,0,0,0,0|1,0,2]=4 189 B12R1.8 N#CCOCCc1ccccc1 f710fd753c514569a7e1cf024d236cec [0,1,0,0,0,0|2,0,1]=4 190 B12R1.8 N#CNCCCc1ccccc1 c15a86ec4727013e594da04c9a6943f6 [0,1,0,0,0,0|1,0,2]=4 191 B12R1.8 N#CNCCOc1ccccc1 370aac6fd6825ccf4ffebf30b2c8d324 [0,1,0,0,0,0|1,0,2]=4 192 B12R1.8 N#CNCCSc1ccccc1 8e4cbfdfd619fcaee033a00c63065969 [0,1,0,0,0,0|1,0,2]=4 193 B12R1.8 N#CSCNCc1ccccc1 15907aa219680e609c9dcf7b05128d0a [0,1,0,0,0,0|2,0,1]=4 194 B12R1.8 N#CSCOCc1ccccc1 c07dfa541610d51d167cd19caa0ddf16 [0,1,0,0,0,0|2,0,1]=4 195 B12R1.8 NOCCNCc1ccccc1 c44b16f502caeb4e0911ea1065c9b2b0 [0,1,0,0,0,0|3,0,0]=4 196 B12R1.8 O/C=C\CNCc1ccccc1 cc7ffd2c4974e7fdfe8e66473dde0504 [0,1,0,0,0,0|1,1,1]=4 197 B12R1.8 O=CCCCNc1ccccc1 2c85f0734b2940921a92b997758dfb5d [0,1,0,0,0,0|1,1,1]=4 198 B12R1.8 O=CCCNCc1ccccc1 c74469b4a98525e28c41fd68e9d4e654 [0,1,0,0,0,0|1,1,1]=4 199 B12R1.8 O=CCCOCc1ccccc1 ac3f888cccae65d1996a84a27a558161 [0,1,0,0,0,0|1,1,1]=4 200 B12R1.8 O=CCNCCc1ccccc1 7b8a13082bcfdef296ce3280285f19f6 [0,1,0,0,0,0|0,1,2]=4 201 B12R1.8 O=CCOCCc1ccccc1 2441de9de85249e6953e55d007d8182d [0,1,0,0,0,0|1,1,1]=4 202 B12R1.8 O=CNCCCc1ccccc1 538cecde6b0a6e38513d6c405409a280 [0,1,0,0,0,0|0,1,2]=4 203 B12R1.8 O=CNCCOc1ccccc1 1ad225f0f5fffc295476e6f5e4bf57b0 [0,1,0,0,0,0|0,1,2]=4 204 B12R1.8 OCCCCNc1ccccc1 2154e665ebfa9ee647e239d5a23b3bbd [0,1,0,0,0,0|1,1,1]=4 205 B12R1.8 OCCCNCc1ccccc1 1f43a365b69733d9fd54c3f1367679b4 [0,1,0,0,0,0|1,1,1]=4 206 B12R1.8 OCCNCCc1ccccc1 6832b0d8880be8700c4d8c29ed63036c [0,1,0,0,0,0|0,1,2]=4 207 B12R1.8 OCNCCCc1ccccc1 4af827ec2909e74315445a370a932107 [0,1,0,0,0,0|0,1,2]=4 208 B12R1.8 OCNCCOc1ccccc1 641239c62160a991f896e082b9cc08e2 [0,1,0,0,0,0|0,1,2]=4 209 B12R1.8 SCCCCNc1ccccc1 ed2d9d7f95071d0803e58eb2622dd581 [0,1,0,0,0,0|1,0,2]=4 210 B12R1.8 SCCCNCc1ccccc1 66312e7d4ce4f899347700206744a721 [0,1,0,0,0,0|1,0,2]=4 211 B12R1.8 SCCCOCc1ccccc1 a40983423638d779f7a71c708a989b8f [0,1,0,0,0,0|1,0,2]=4 212 B12R1.8 SCCNCCc1ccccc1 77f9cf13a4d370b17f1b8a888b3044b3 [0,1,0,0,0,0|0,0,3]=4 213 B12R1.8 SCCOCCc1ccccc1 622b11be5805e98ac28331a5544396fa [0,1,0,0,0,0|1,0,2]=4 214 B12R1.27 CCN(C)CCc1ccccc1 7c4ca4f684c66e96c63c7f2e129ac623 [0,1,0,0,0,0|1,0,2]=4 215 B12R1.27 CN(C=O)CCc1ccccc1 9fb02e1cb373d4704048d9ef6c04ee21 [0,1,0,0,0,0|0,1,2]=4 216 B12R1.27 CN(CF)CCc1ccccc1 af958a660e6bf737d02c2dfab1bc467d [0,1,0,0,0,0|1,0,2]=4 217 B12R1.27 CN(CO)CCc1ccccc1 c9a67cdf713e4c874ec2d63ed5e8590a [0,1,0,0,0,0|0,1,2]=4 218 B12R1.28 CCNCCc1cccc(c1)Br 7407aa9054e4fecb39bb7bc51e44c0d3 [0,1,0,0,0,0|1,0,2]=4 219 B12R1.28 CCNCCc1cccc(c1)C 0b37f05c941770177fcf98d56962ff79 [0,1,0,0,0,0|1,0,2]=4 220 B12R1.28 CCNCCc1cccc(c1)Cl bb3e937b0c5020373ac596c6a62d7c6c [0,1,0,0,0,0|1,0,2]=4 221 B12R1.28 CCNCCc1cccc(c1)F b16016975d35bb1c00404543a6d7428f [0,1,0,0,0,0|1,0,2]=4 222 B12R1.28 CCNCCc1cccc(c1)I b6e52167904a817c188d41fbe58465fb [0,1,0,0,0,0|1,0,2]=4 223 B12R1.28 CCOCCc1cccc(c1)Br d0f3ea49e7aa78e8012da5ebab2edff3 [0,1,0,0,0,0|2,0,1]=4 224 B12R1.28 CCOCCc1cccc(c1)C e15d01aec8191a21a4d3b1c3faee8943 [0,1,0,0,0,0|2,0,1]=4 225 B12R1.28 CCOCCc1cccc(c1)Cl 7d0820bb278ad9103dd8a2b1a1cfa5f9 [0,1,0,0,0,0|2,0,1]=4 226 B12R1.28 CCOCCc1cccc(c1)F e796a8f4963a7eb406c1cd938057b94f [0,1,0,0,0,0|2,0,1]=4 227 B12R1.28 CCOCCc1cccc(c1)I 23bb8fca7b33897456b96ef7e6cee085 [0,1,0,0,0,0|2,0,1]=4 228 B12R1.28 Cc1cccc(c1)CCNC#N c1d1275a5a489531465a38f42b82c752 [0,1,0,0,0,0|1,0,2]=4 229 B12R1.28 Cc1cccc(c1)CCNC=O 8612d7f8913bad172a89faf2d9f6ab43 [0,1,0,0,0,0|0,1,2]=4 230 B12R1.28 Cc1cccc(c1)CCNCF d55c688e9678c30b2351e4cbdd7450e3 [0,1,0,0,0,0|1,0,2]=4 231 B12R1.28 Cc1cccc(c1)CCNCO 93a28a38a3a795fa33735682cc180d19 [0,1,0,0,0,0|0,1,2]=4 232 B12R1.28 Cc1cccc(c1)CCOCF 51adc91e98de89cba91135d6bf1dd274 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.28 FCNCCc1cccc(c1)Br 63f95ad9afdafac9c0c58398008d9140 [0,1,0,0,0,0|1,0,2]=4 234 B12R1.28 FCNCCc1cccc(c1)Cl 1a5022cf19c45426af5ea2234f529088 [0,1,0,0,0,0|1,0,2]=4 235 B12R1.28 FCNCCc1cccc(c1)F 7803834c60c721df84b912fcbd31c5e3 [0,1,0,0,0,0|1,0,2]=4 236 B12R1.28 FCNCCc1cccc(c1)I 9ad8ab4dfb25921bc02195f41c6a88d6 [0,1,0,0,0,0|1,0,2]=4 237 B12R1.28 FCOCCc1cccc(c1)Br 4ceda77946fa660e1bde11b804bc61bf [0,1,0,0,0,0|2,0,1]=4 238 B12R1.28 FCOCCc1cccc(c1)Cl c3312cd6c6d4529fd33e4cdbb4ad83ea [0,1,0,0,0,0|2,0,1]=4 239 B12R1.28 FCOCCc1cccc(c1)F 3aed3878adb707025955cb0be47782c7 [0,1,0,0,0,0|2,0,1]=4 240 B12R1.28 FCOCCc1cccc(c1)I 555c4e52e5544fe1560ead1fd2baaa04 [0,1,0,0,0,0|2,0,1]=4 241 B12R1.28 N#CNCCc1cccc(c1)Br f6e612d0d9943970d6ce083ec1a487a9 [0,1,0,0,0,0|1,0,2]=4 242 B12R1.28 N#CNCCc1cccc(c1)Cl baf9527724387139669f927602c8f532 [0,1,0,0,0,0|1,0,2]=4 243 B12R1.28 N#CNCCc1cccc(c1)F 7ce7afac94ec11203951698d20b5fd9e [0,1,0,0,0,0|1,0,2]=4 244 B12R1.28 O=CNCCc1cccc(c1)Br eefcf700003f9cd109d13836e54f277d [0,1,0,0,0,0|0,1,2]=4 245 B12R1.28 O=CNCCc1cccc(c1)Cl d4c88b189d7027c20056157eb1525ba4 [0,1,0,0,0,0|0,1,2]=4 246 B12R1.28 O=CNCCc1cccc(c1)F d22bcc2e6c7014d8034482be1e2e158e [0,1,0,0,0,0|0,1,2]=4 247 B12R1.28 O=CNCCc1cccc(c1)I 9c45a634df681e333c31a7eeca3a62c8 [0,1,0,0,0,0|0,1,2]=4 248 B12R1.28 O=CNCCc1cccc(c1)O 1ff03f4f09dd5b246a6e6c59eef84eaa [0,1,0,0,0,0|0,1,2]=4 249 B12R1.28 OCNCCc1cccc(c1)Br 3aa38b14d893ea561c6d7be0b882b46e [0,1,0,0,0,0|0,1,2]=4 250 B12R1.28 OCNCCc1cccc(c1)Cl 10611e4fe6f0ad3695177e63a8cf825e [0,1,0,0,0,0|0,1,2]=4 251 B12R1.28 OCNCCc1cccc(c1)F 88d3334a709a0b42373bc0c7574dca21 [0,1,0,0,0,0|0,1,2]=4 252 B12R1.28 OCNCCc1cccc(c1)I 5daf6c5becb322704670a9c1193bd5a3 [0,1,0,0,0,0|0,1,2]=4 253 B12R1.30 CC(CNC#N)c1ccccc1 d5f4eb607db5752f9711ebcab25281e7 [0,1,0,0,0,0|1,0,2]=4 254 B12R1.30 CC(CNC=O)c1ccccc1 383885393da95737b5a43ceb7230b818 [0,1,0,0,0,0|0,1,2]=4 255 B12R1.30 CC(CNCF)c1ccccc1 5f1d9fd84074424c65197fad8c2e5513 [0,1,0,0,0,0|1,0,2]=4 256 B12R1.30 CC(CNCO)c1ccccc1 462ae9832b5de19cce882c0427ce8c7b [0,1,0,0,0,0|0,1,2]=4 257 B12R1.30 CC(COCF)c1ccccc1 c129742ad0b3dcb07ba4c78eb9851e3b [0,1,0,0,0,0|2,0,1]=4 258 B12R1.30 CCNCC(C)c1ccccc1 9cbf919020878038d0809e43f1be15bb [0,1,0,0,0,0|1,0,2]=4 259 B12R1.30 CCNCC(O)c1ccccc1 2c7684bc90e6b6f2eb9cc788b34e49e9 [0,1,0,0,0,0|1,0,2]=4 260 B12R1.30 CCNC[C@@H](C)c1ccccc1 6865a599cc7f5b285bd8c007b28c9b34 [0,1,0,0,0,0|1,0,2]=4 261 B12R1.30 CCNC[C@@H](O)c1ccccc1 1fa8d71540df38b9b8cbd54368ff1949 [0,1,0,0,0,0|1,0,2]=4 262 B12R1.30 CCNC[C@H](C)c1ccccc1 ff4ae3e1c0acb37fe8ab1f33c54ee87a [0,1,0,0,0,0|1,0,2]=4 263 B12R1.30 CCNC[C@H](O)c1ccccc1 a3ad7a2afde7d6051248f34aaf7ade1e [0,1,0,0,0,0|1,0,2]=4 264 B12R1.30 CCOCC(C)c1ccccc1 7d0863132e6f64e2e8f3b829c1ba4213 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.30 CCOC[C@@H](C)c1ccccc1 5d4adf02715a7dc88fd8e9ed1c1ccac0 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.30 CCOC[C@H](C)c1ccccc1 71da89b37784dc3a33c9c6970d6f6435 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.30 C[C@@H](CNC=O)c1ccccc1 4fd65e091e214d9221c262810e411c80 [0,1,0,0,0,0|0,1,2]=4 268 B12R1.30 C[C@@H](CNCF)c1ccccc1 796d7cc72a99b25de3cd91eec937f176 [0,1,0,0,0,0|1,0,2]=4 269 B12R1.30 C[C@@H](CNCO)c1ccccc1 742ee8e739f2ff7dbfa020bf6612568d [0,1,0,0,0,0|0,1,2]=4 270 B12R1.30 C[C@@H](COCF)c1ccccc1 3ef1be7494a491550febb3ea126e0341 [0,1,0,0,0,0|2,0,1]=4 271 B12R1.30 C[C@H](CNC#N)c1ccccc1 82cbedd68be846042bfc1a0fd0ff5ef2 [0,1,0,0,0,0|1,0,2]=4 272 B12R1.30 C[C@H](CNC=O)c1ccccc1 d012ad42959d735a95ee99ba7191a36d [0,1,0,0,0,0|0,1,2]=4 273 B12R1.30 C[C@H](CNCF)c1ccccc1 b55b7c71b6efb4d2ef804c8c8ecd1876 [0,1,0,0,0,0|1,0,2]=4 274 B12R1.30 C[C@H](CNCO)c1ccccc1 348e8a14ee3f664d50cb7fb06a3ca693 [0,1,0,0,0,0|0,1,2]=4 275 B12R1.30 C[C@H](COCF)c1ccccc1 dfac0c7125baf2c94bf4011a8539eabb [0,1,0,0,0,0|2,0,1]=4 276 B12R1.30 N#CNCC(O)c1ccccc1 9720d365060a0fcf7ba83a373e380727 [0,1,0,0,0,0|1,0,2]=4 277 B12R1.30 O=CNCC(O)c1ccccc1 bd6972d51445a44c3965cbebc4bd5db7 [0,1,0,0,0,0|0,1,2]=4 278 B12R1.30 O=CNC[C@@H](O)c1ccccc1 d65458916acffc3e27ffc1f7d36d329e [0,1,0,0,0,0|0,1,2]=4 279 B12R1.30 O=CNC[C@H](O)c1ccccc1 f93baa496dc07ecacf88304e0a316c36 [0,1,0,0,0,0|0,1,2]=4 280 B12R1.30 OC(CNCF)c1ccccc1 dadff12dfa7b072497d1230db84a7ab0 [0,1,0,0,0,0|1,0,2]=4 281 B12R1.30 OCNCC(O)c1ccccc1 a1873e0f542e845030155bc61f7ab033 [0,1,0,0,0,0|0,1,2]=4 282 B12R1.30 OCNC[C@@H](O)c1ccccc1 6b625a35862ee45205a70adf222a9a23 [0,1,0,0,0,0|0,1,2]=4 283 B12R1.30 OCNC[C@H](O)c1ccccc1 a19c64470da13d711a93a5da873610b8 [0,1,0,0,0,0|0,1,2]=4 284 B12R1.30 O[C@@H](CNCF)c1ccccc1 17594babf953eee0d2b4c962daa025ce [0,1,0,0,0,0|1,0,2]=4 285 B12R1.30 O[C@H](CNCF)c1ccccc1 1fae90a4e809b4254f08900139a841ce [0,1,0,0,0,0|1,0,2]=4 286 B12R1.32 CCOC(C)Cc1ccccc1 37a2c2b5ef50b1a7cf2088b7456e4451 [0,1,0,0,0,0|2,0,1]=4 287 B12R1.32 CCO[C@@H](C)Cc1ccccc1 19276107fa4d022850aeee4089dafd0c [0,1,0,0,0,0|2,0,1]=4 288 B12R1.32 CCO[C@H](C)Cc1ccccc1 2f8e91d1dc9d2f9667dcff63e87e082c [0,1,0,0,0,0|2,0,1]=4 289 B12R1.252 CC(=O)NCCc1ccccc1 1052e9521fedb3e85cab4ef571c55982 [0,1,0,0,0,0|0,1,2]=4 290 B12R1.252 CC(C)NCCc1ccccc1 800f62166be48d31d0f1f8e8246a3d11 [0,1,0,0,0,0|1,0,2]=4 291 B12R1.252 CC(C)OCCc1ccccc1 cd2036e50db53ec52d80c5b70290b19c [0,1,0,0,0,0|2,0,1]=4 292 B12R1.252 NC(=S)CCNc1ccccc1 fdd014489a9f5fc5a2655cbf4a4fb01b [0,1,0,0,0,0|2,0,1]=4 293 B12R1.252 NC(=S)COCc1ccccc1 397a628005598ffe9bcc09a6e0a362e3 [0,1,0,0,0,0|2,0,1]=4 294 B12R1.267 CCNCCc1ccccc1Cl b462d134ed26b2145f2b3576e4d12230 [0,1,0,0,0,0|1,0,2]=4 295 B12R1.267 CCNCCc1ccccc1F dee7dcb89926d867dd249445cc929612 [0,1,0,0,0,0|1,0,2]=4 296 B12R1.267 CCOCCc1ccccc1Br ff423992d371a6fc4a4fd1c88d225519 [0,1,0,0,0,0|2,0,1]=4 297 B12R1.267 CCOCCc1ccccc1C 60652323b8b6e9b1615ced7c97b2a1b4 [0,1,0,0,0,0|2,0,1]=4 298 B12R1.267 CCOCCc1ccccc1Cl 69a4003c1b2444e1ffe9dabcded8220b [0,1,0,0,0,0|2,0,1]=4 299 B12R1.267 CCOCCc1ccccc1F afa3523c66ce915b25923508bd683d81 [0,1,0,0,0,0|2,0,1]=4 300 B12R1.267 CCOCCc1ccccc1I e3f39fece90b0172c387ddafe972d300 [0,1,0,0,0,0|2,0,1]=4 301 B12R1.267 Cc1ccccc1CCNC=O 79b73b98e8849e560497af1b05746d24 [0,1,0,0,0,0|0,1,2]=4 302 B12R1.267 Cc1ccccc1CCOCF 25f7145d6fc74add80093b665dc4393f [0,1,0,0,0,0|2,0,1]=4 303 B12R1.267 FCNCCc1ccccc1Cl 2b7cd31ed4a3052fcd0d18714236530d [0,1,0,0,0,0|1,0,2]=4 304 B12R1.267 FCNCCc1ccccc1F 6a44669825c83fc6e919b2f10fd8c7d2 [0,1,0,0,0,0|1,0,2]=4 305 B12R1.267 FCOCCc1ccccc1Br 574267660b831959d0794f82b5ef5850 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.267 FCOCCc1ccccc1Cl 7ea8671364534b09f9e85fd52379f60c [0,1,0,0,0,0|2,0,1]=4 307 B12R1.267 FCOCCc1ccccc1F 05e5363269f95ae13cad094391096216 [0,1,0,0,0,0|2,0,1]=4 308 B12R1.267 FCOCCc1ccccc1I 39aabe4ca087b7967fe2111450ba8931 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.267 N#CNCCc1ccccc1F 677802d7d8b0ae68c15012055008ff19 [0,1,0,0,0,0|1,0,2]=4 310 B12R1.267 N#CNCCc1ccccc1I 0c2cdf10c87f3a9e472381bec9d907f4 [0,1,0,0,0,0|1,0,2]=4 311 B12R1.267 O=CNCCc1ccccc1Br 4abde841c9ea0597beaa10637d5d75ab [0,1,0,0,0,0|0,1,2]=4 312 B12R1.267 O=CNCCc1ccccc1Cl a719d8c70a8e416524cfd5e059197592 [0,1,0,0,0,0|0,1,2]=4 313 B12R1.267 O=CNCCc1ccccc1F 054714acae9e4f3dedf843585ea0bd22 [0,1,0,0,0,0|0,1,2]=4 314 B12R1.267 O=CNCCc1ccccc1O a376d3f785eac46eb060dea335ad7a1d [0,1,0,0,0,0|0,1,2]=4 315 B12R1.267 OCNCCc1ccccc1Cl 1b84a7a1568849a05b57068c3918906a [0,1,0,0,0,0|0,1,2]=4 316 B12R1.267 OCNCCc1ccccc1F eb3b5d5f729061dd7d0426963bb11f7c [0,1,0,0,0,0|0,1,2]=4 317 B12R2.1 O=CN1CCc2c1cccc2 952fb58dcbced8913394c41c3e29378e [0,0,0,1,0,0|0,1,2]=4 318 B12R2.1 OCN1CCc2c1cccc2 b6afa4fa6bad5e1cd18ef7eeaa43164b [0,0,0,1,0,0|0,1,2]=4 319 B12R2.27 CCN1CC1c2ccccc2 9688627107d4117581407497e721ccee [0,0,0,1,0,0|1,0,2]=4 320 B12R2.27 CCN1C[C@@H]1c2ccccc2 c32dec6f3160b9b7bc8c2839caf72878 [0,0,0,1,0,0|1,0,2]=4 321 B12R2.27 FCN1CC1c2ccccc2 961cd8c1338ecdce6a27ac300fedcc98 [0,0,0,1,0,0|1,0,2]=4 322 B12R2.27 FCN1C[C@@H]1c2ccccc2 186c23a739812eaa2456c8641683ea36 [0,0,0,1,0,0|1,0,2]=4 323 B12R2.27 O=CN1CC1c2ccccc2 762f19a034f772a367d3e7ac6806d5e0 [0,0,0,1,0,0|0,1,2]=4 324 B12R2.27 O=CN1C[C@@H]1c2ccccc2 3cd739dd6b25e8af9413dc2836c79b56 [0,0,0,1,0,0|0,1,2]=4 325 B12R2.27 OCN1CC1c2ccccc2 380946bf56a518a4f82b6f06607820f1 [0,0,0,1,0,0|0,1,2]=4 326 B12R2.27 OCN1C[C@@H]1c2ccccc2 b0131158d23691f2ccd2899d00b705c5 [0,0,0,1,0,0|0,1,2]=4 327 B12R2.931 CCOC1Cc2c1cccc2 3c89ff4e209e0c2fdac6354471a794bb [0,0,0,1,0,0|2,0,1]=4 328 B12R2.931 FCOC1Cc2c1cccc2 8a2a59b07ef62954890e5ca9132b929f [0,0,0,1,0,0|2,0,1]=4 329 B12R2.931 N#CNC1Cc2c1cccc2 4acf83ea777f3f4bc9a4041ee13e4a3e [0,0,0,1,0,0|1,0,2]=4 330 B9R1.8 CCNc1ccccc1 33257e4a9e1d882742dfd4cfddb78cda [2,0,0,0,0,0|1,0,1]=4 331 B9R1.8 FCNc1ccccc1 c8185de2a7206057ede93409452a493c [2,0,0,0,0,0|2,0,0]=4 332 B9R1.8 OCNc1ccccc1 6a26daba1a11b7282126aadb7f7b8f97 [2,0,0,0,0,0|1,1,0]=4 333 B13R1.28 C=C=CCCOCc1ccccc1 0117958d7092f5e8e7e9817a9c1c8fb4 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.337 NC(=S)CCNCc1ccccc1 1fa7c1429121f922b1c0a0e4ab83d889 [0,2,0,0,0,0|1,0,1]=4 335 B13R1.337 NC(=S)COCCc1ccccc1 81d42c578c49e4a7db47d161c1f72f00 [0,2,0,0,0,0|1,0,1]=4 336 B13R1.337 NC(=S)NCCNc1ccccc1 04ebd26d13a12a10a1817796b73aa6cd [0,2,0,0,0,0|0,0,2]=4