0 B6R0.1 C=CC(=O)NC#N 50ba705a66c9756487ecf5ee06f1b175 [0,0,1,0,0,0|2,0,1]=4 1 B6R0.1 C=CC(C)NC#N 2a7109b4baa8d6cba377db19db0fc72f [0,0,1,0,0,0|1,0,2]=4 2 B6R0.1 C=CC(C)NC=O ea3bd8a0f1437d84f5ea96318c16e9bd [0,0,1,0,0,0|1,0,1]=3 3 B6R0.1 C=CC(C)NCC 948c94c892befefe9756783e6d4a372c [0,0,1,0,0,0|0,0,2]=3 4 B6R0.1 C=CC(C)NCF fcb68bb0ad98322ede2090ffb8982d5c [0,0,1,0,0,0|1,0,2]=4 5 B6R0.1 C=CC(C)NCO b239e076cc6fac99d85355a8537a48d2 [0,0,1,0,0,0|1,0,2]=4 6 B6R0.1 C=CC(C)OCC 56eed946f70859c9519e59c17b27f8ec [0,0,1,0,0,0|1,0,2]=4 7 B6R0.1 C=C[C@H](C)OCC 1f2a0e5dd56f9e416c2e4c2822c0bb6e [0,0,1,0,0,0|1,0,2]=4 8 B7R0.2 C=CC(C)NC(=O)C da0f45e746fe5ddfb85b752dba1a7d5c [0,1,1,0,0,0|0,0,1]=3 9 B7R0.2 C=CC(C)NC(C)C 538c1af40a959f36dd21007158f94b60 [0,1,1,0,0,0|0,0,2]=4 10 B7R0.3 C=CC(=O)NCCBr e6f6b86f13e8187fabc94be948b883a9 [0,1,1,0,0,0|1,0,1]=4 11 B7R0.3 C=CC(=O)NCCC cbaf2af1e216a93f8d9916d9e14e472f [0,1,1,0,0,0|1,0,1]=4 12 B7R0.3 C=CC(=O)NCCF 603b2638e9cfb8f5ec21de15aad5486a [0,1,1,0,0,0|1,0,1]=4 13 B7R0.3 C=CC(=O)NCCI 3eb791874c2ca04ded681849c87dc345 [0,1,1,0,0,0|1,0,1]=4 14 B7R0.3 C=CC(=O)NCCO 6cddef02f32566caa65152d55a827db1 [0,1,1,0,0,0|1,0,1]=4 15 B7R0.3 C=CC(=O)NCCS 9889ebe2d1bfba26b1d473fa334f8376 [0,1,1,0,0,0|1,0,1]=4 16 B7R0.3 C=CC(C)NCC=O 39b14e3f69e0eb05b9593b7c40c09aad [0,1,1,0,0,0|1,0,1]=4 17 B7R0.3 C=CC(C)NCCBr b356883a0dc70704108470357c5d7d32 [0,1,1,0,0,0|0,0,2]=4 18 B7R0.3 C=CC(C)NCCC ce56ff835d97c72d3c77b342679142d9 [0,1,1,0,0,0|0,0,2]=4 19 B7R0.3 C=CC(C)NCCF 077bbc22cd0a8dcb78cded6a2db45aa7 [0,1,1,0,0,0|0,0,2]=4 20 B7R0.3 C=CC(C)NCCI ac7ae81e417980ca8ecb87af514042e3 [0,1,1,0,0,0|0,0,2]=4 21 B7R0.3 C=CC(C)NCCO 86960b6d278df2bdab9b0f12b5036032 [0,1,1,0,0,0|0,0,2]=4 22 B7R0.3 C=CC(C)NCCS f0ada7e973c6d56f24d465f4dbaba074 [0,1,1,0,0,0|0,0,2]=4 23 B7R0.3 C=CC(C)NCOC d8682dad21d615dadf36671471b4c9fe [0,1,1,0,0,0|0,0,2]=4 24 B7R0.3 C=CC(C)NCSC 00b0f67e17f5d1856f1ea6c73d24d2b6 [0,1,1,0,0,0|0,0,2]=4 25 B7R0.3 C=CCNC(C)C=C 643449ce57adfb0e4dd3cbf4c6e5eff3 [0,1,1,0,0,0|0,0,2]=4 26 B7R0.10 C=CC(=O)N(C)CC 5cdce1a1cd893d8ab1284f8177670f55 [0,1,1,0,0,0|1,0,1]=4 27 B7R0.10 C=CC(C)N(C)CC 4e19c64cea3fd4c093ea40cd82bb7bd4 [0,1,1,0,0,0|0,0,2]=4 28 B7R0.12 C=C[C@@H](CO)NC=O 5d09ef4825c604a2efc4917c4ac324ba [0,1,1,0,0,0|1,0,1]=4 29 B7R0.12 C=C[C@@H](CO)NCC 2b9f74d6ae3c2b74c3cb02472da25462 [0,1,1,0,0,0|0,0,2]=4 30 B7R0.4 CC=CCNC(=O)C dc3e1d71e731895ff638118e5c964c13 [0,1,1,0,0,0|1,0,1]=4 31 B9R1.7 CCNc1ccc(s1)Br 9887066c4f23e7daf2738532a866a93f [0,2,0,0,0,0|2,0,0]=4 32 B9R1.7 CCNc1ccc(s1)C 6cc2b61cb21c538e8a3c4748615dc171 [0,2,0,0,0,0|1,0,0]=3 33 B9R1.7 CCNc1ccn(n1)C e0b6f5c811a7dd2a879c0d13a5dca6a9 [0,2,0,0,0,0|1,0,1]=4 34 B9R1.7 CCNc1cnc(o1)C 48c2ec697b2d1d60215d854942b5fe7d [0,2,0,0,0,0|2,0,0]=4 35 B9R1.7 CCNc1cnc(s1)C ac585df68cb12d993b05e0ff0ef620a3 [0,2,0,0,0,0|2,0,0]=4 36 B9R1.7 CCNc1nc(co1)C b26a52f95975447075cfb8a89ed6d926 [0,2,0,0,0,0|1,0,1]=4 37 B9R1.7 CCNc1nc(cs1)C d6f1a2a4dfbfdca53a2398d3f561dee6 [0,2,0,0,0,0|1,0,1]=4 38 B9R1.7 CCNc1ncc([nH]1)C 5ac775ce6f9d77e92c163881f0d757c2 [0,2,0,0,0,0|1,0,0]=3 39 B9R1.7 CCNc1ncc(o1)C b4b13cff670e86276ca545bfd94c7840 [0,2,0,0,0,0|2,0,0]=4 40 B9R1.7 CCNc1ncc(s1)C ae46aabc9922e91eb11f8310a472106e [0,2,0,0,0,0|2,0,0]=4 41 B9R1.7 CCOc1cc(cs1)C f83ac452101022897e1afe49252bc0a6 [0,2,0,0,0,0|2,0,0]=4 42 B9R1.7 CCOc1ccc(s1)Br c97db172da234b04bd274e0b7ba7aac7 [0,2,0,0,0,0|2,0,0]=4 43 B9R1.7 CCOc1ccn(n1)C d316b50ffe3b7e9a9c8c75673185659a [0,2,0,0,0,0|1,0,1]=4 44 B9R1.7 Cc1ccc(s1)NC=O 745d01ed2a45b7ddb9d308ef71450e7f [0,2,0,0,0,0|1,0,1]=4 45 B9R1.7 Cc1ccc(s1)NCF 5db800a47823e0633ec93352d97a19cb [0,2,0,0,0,0|1,0,0]=3 46 B9R1.7 Cc1ccc(s1)NCO 00e2af5e98f8ffe71855be0007a81a6f [0,2,0,0,0,0|1,0,0]=3 47 B9R1.7 Cc1cnc([nH]1)NCF 0f06d13c72316e77041575cdb911d843 [0,2,0,0,0,0|1,0,0]=3 48 B9R1.7 Cc1cnc([nH]1)NCO e10ce84d07efbe0d88a0303e82b34252 [0,2,0,0,0,0|1,0,0]=3 49 B9R1.7 Cc1cnc(o1)NCF 944c667424fa7a587182482cf2da5615 [0,2,0,0,0,0|2,0,0]=4 50 B9R1.7 Cc1cnc(o1)NCO 9d3768940882696bf956725be6113a23 [0,2,0,0,0,0|2,0,0]=4 51 B9R1.7 Cc1cnc(s1)NCF 2f030d3d8b66234a8b19c2c6b87c6649 [0,2,0,0,0,0|2,0,0]=4 52 B9R1.7 Cc1cnc(s1)NCO b7fdb9bbd75724cde40c4c0f439de7e1 [0,2,0,0,0,0|2,0,0]=4 53 B9R1.7 Cc1coc(n1)NCF 69e9506e9aa2e7b6563bdfca547452da [0,2,0,0,0,0|1,0,1]=4 54 B9R1.7 Cc1coc(n1)NCO 3a43687417434d8f95f551a0aabe36fb [0,2,0,0,0,0|1,0,1]=4 55 B9R1.7 Cc1csc(c1)OCF 4344daeca24473558f3bc491c442b44a [0,2,0,0,0,0|2,0,0]=4 56 B9R1.7 Cc1csc(n1)NCF 23e76ce5ab61abd00c1d11056542d85d [0,2,0,0,0,0|1,0,1]=4 57 B9R1.7 Cc1csc(n1)NCO fbd4147082d1d48ebce5e0701647b9b9 [0,2,0,0,0,0|1,0,1]=4 58 B9R1.7 Cc1ncc(o1)NCF 100609943c408a5007543f16c70987b0 [0,2,0,0,0,0|2,0,0]=4 59 B9R1.7 Cc1ncc(o1)NCO 2ed7cecb25e96ca1af6f4fcac58c786f [0,2,0,0,0,0|2,0,0]=4 60 B9R1.7 Cc1ncc(s1)NCF 9e96fbddb436c3ee7eca123d5a19acce [0,2,0,0,0,0|2,0,0]=4 61 B9R1.7 Cc1ncc(s1)NCO 3475e89217242ecce2a31d6dc9047a7d [0,2,0,0,0,0|2,0,0]=4 62 B9R1.7 Cn1ccc(n1)NCF 28b22ed14e3b17d0436fbc5ac12d8c66 [0,2,0,0,0,0|1,0,1]=4 63 B9R1.7 Cn1ccc(n1)NCO c20cd836b761499fbe74f79681d8584c [0,2,0,0,0,0|1,0,1]=4 64 B9R1.7 Cn1ccc(n1)OCF 1b560c616a72edb01aa80ee1df92011c [0,2,0,0,0,0|1,0,1]=4 65 B9R1.7 FCNc1ccc(s1)Br 12fdb9cd11d7dc8244edcc516c654f6d [0,2,0,0,0,0|2,0,0]=4 66 B9R1.7 FCOc1ccc(s1)Br 577138bffe4f5b72a8302081d5374964 [0,2,0,0,0,0|2,0,0]=4 67 B9R1.7 OCNc1ccc(s1)Br aa4dc4257fd9f4315f24935017c46f91 [0,2,0,0,0,0|2,0,0]=4