0 B17R2.1055464 Cc1cc(c2nc(cn2c1)C(=O)NC#N)Br a0b8d11f49b9c76a3faf872fc5a66a4c [0,1,0,0,0,0|1,0,1]=3 1 B17R2.1055464 Cc1cc(c2nc(cn2c1)C(=O)NC#N)Cl 0d5bac0eb0eaa67b858ed490bf33b7a7 [0,1,0,0,0,0|1,1,1]=4 2 B17R2.1055464 Cc1cc(c2nc(cn2c1)C(=O)NC#N)I cb16e74219f1dceff1c8245727add1e3 [0,1,0,0,0,0|1,1,1]=4 3 B17R2.1055464 Cc1cc(cn2c1nc(c2)C(=O)NC#N)Br 45689aeb8342c51f5e6e5ab9cbd1c1a4 [0,1,0,0,0,0|1,1,1]=4 4 B17R2.1055464 Cc1cc(cn2c1nc(c2)C(=O)NC#N)Cl 62dea40e2808246abd02cc5352ca672a [0,1,0,0,0,0|1,0,1]=3 5 B17R2.1055464 Cc1cc(cn2c1nc(c2)C(=O)NC#N)I 3bf0073c4b5104d6839f14470f23e89d [0,1,0,0,0,0|1,1,1]=4 6 B17R2.1055464 N#CNC(=O)c1cc2cc(cc(c2o1)Br)Cl f288ff25266a456a6f16d3b03acb83ae [0,1,0,0,0,0|2,0,1]=4 7 B17R2.1055464 N#CNC(=O)c1cn2cc(cc(c2n1)Br)Br 87589f9ca9b254d6086c4e418c70dd47 [0,1,0,0,0,0|0,1,1]=3 8 B17R2.1055464 N#CNC(=O)c1cn2cc(cc(c2n1)Br)Cl 5b3f2b9b1d7126bc5b501336673afb3e [0,1,0,0,0,0|0,0,1]=2 9 B17R2.1055464 N#CNC(=O)c1cn2cc(cc(c2n1)Br)F b81ff68f354bef2abaddd1d4a42d418b [0,1,0,0,0,0|0,1,1]=3 10 B17R2.1055464 N#CNC(=O)c1cn2cc(cc(c2n1)F)Br 0c8cff02b6a5eaf9e5d7e5878716737e [0,1,0,0,0,0|0,2,1]=4 11 B17R2.1055464 N#CNC(=O)c1cn2cc(cc(c2n1)I)Br 20107f7c13fd25d10f16f67fdcca4c95 [0,1,0,0,0,0|0,2,1]=4 12 B17R2.1055464 N#CNC(=O)c1cn2cc(nc(c2n1)Br)Br 855f943424e5bddb65779d275f1c98f0 [0,1,0,0,0,0|1,1,1]=4 13 B17R2.1055464 N#CNC(=O)c1cn2nc(cc(c2n1)Br)Cl 8565dfac48294948b04a8a9524de6d3e [0,1,0,0,0,0|1,0,1]=3 14 B17R2.1055464 N#CNC(=O)c1nc2c(cc(cn2n1)F)Br 9682f8881b62c200d50a65ef8c441e27 [0,1,0,0,0,0|1,1,1]=4 15 B16R2.755 Cc1ccc2nc(cn2c1)C(=O)NC#N 559bc59c401682405797fd342ea84980 [1,1,0,0,0,0|1,0,1]=4 16 B16R2.755 N#CNC(=O)c1cc2ccc(cn2c1)Cl a01a97b6dec74f219d90f107b636cca1 [1,1,0,0,0,0|1,0,1]=4 17 B16R2.755 N#CNC(=O)c1cn2cc(ccc2n1)Br 87362925be08cb194a37ee3dcc9f8488 [1,1,0,0,0,0|0,1,1]=4 18 B16R2.755 N#CNC(=O)c1cn2cc(ccc2n1)Cl e5ba4173dc8390575928aab1de5ef797 [1,1,0,0,0,0|0,0,1]=3 19 B16R2.755 N#CNC(=O)c1cn2cc(ccc2n1)F 4fc6821a8f288f78eb730f2d2521b304 [1,1,0,0,0,0|0,1,1]=4 20 B16R2.755 N#CNC(=O)c1cn2cc(ccc2n1)I 5a859e18d679cb2387feb2b7a93dd4dc [1,1,0,0,0,0|0,1,1]=4 21 B16R2.755 N#CNC(=O)c1cn2cc(ccc2n1)O 4a16d5ae3852bafe16fd2a0e37bdb1bd [1,1,0,0,0,0|1,0,1]=4 22 B16R2.755 N#CNC(=O)c1cn2nc(ccc2n1)Cl 0505111cbccc309f0e6279b8193df0e9 [1,1,0,0,0,0|1,0,1]=4 23 B16R2.764 Cc1cccn2c1nc(c2)C(=O)NC#N da7a2db9b20348083d60c60981e9925d [1,1,0,0,0,0|1,0,1]=4 24 B16R2.764 N#CNC(=O)c1cc2c(cccn2c1)Br 57fd91ebcd42080531fa1796432de244 [1,1,0,0,0,0|1,0,1]=4 25 B16R2.764 N#CNC(=O)c1cn2cccc(c2n1)Br 042c9a602f1a68df9bd8d716cacf899b [1,1,0,0,0,0|0,0,1]=3 26 B16R2.764 N#CNC(=O)c1cn2cccc(c2n1)Cl ddcab88b9889ab95b089f2477aa1e75b [1,1,0,0,0,0|0,1,1]=4 27 B16R2.764 N#CNC(=O)c1cn2cccc(c2n1)F dbc495e80368ace4806ee25f7b5ed1a3 [1,1,0,0,0,0|0,1,1]=4 28 B18R2.2189083 C#CCNC(=O)c1cn2cc(cc(c2n1)Br)Br 06075f4f68229bc5bcb9ec069908dad9 [0,2,0,0,0,0|1,1,0]=4 29 B18R2.2189083 C#CCNC(=O)c1cn2cc(cc(c2n1)Br)C e93c0578d9fdf947212fa6f06faa1392 [0,2,0,0,0,0|2,0,0]=4 30 B18R2.2189083 C#CCNC(=O)c1cn2cc(cc(c2n1)Br)Cl 39bcebd201dbd1b8f115949d9e4fe0a5 [0,2,0,0,0,0|1,0,0]=3 31 B18R2.2189083 C#CCNC(=O)c1cn2cc(cc(c2n1)Br)F 155d28ccaa14f135b0f776546d76f5bd [0,2,0,0,0,0|1,1,0]=4 32 B18R2.2189083 C#CCNC(=O)c1cn2cc(cc(c2n1)C)Cl 3655c6c2c91979f03f512ef164c4e778 [0,2,0,0,0,0|2,0,0]=4 33 B18R2.2189083 C#CCNC(=O)c1cn2nc(cc(c2n1)Br)Cl 507e28b6f165acb141382adb95a5c0c1 [0,2,0,0,0,0|2,0,0]=4 34 B18R2.2189083 CCCNC(=O)c1cn2cc(cc(c2n1)Br)Br 20dc30e26e20ab601f75e6d339c92979 [0,2,0,0,0,0|1,1,0]=4 35 B18R2.2189083 CCCNC(=O)c1cn2cc(cc(c2n1)Br)C 0a7e8d69974d5d10050a6ed21a915c1a [0,2,0,0,0,0|2,0,0]=4 36 B18R2.2189083 CCCNC(=O)c1cn2cc(cc(c2n1)Br)Cl 0d2b3eaf98f991ae990c0793f7da26d5 [0,2,0,0,0,0|1,0,0]=3 37 B18R2.2189083 CCCNC(=O)c1cn2cc(cc(c2n1)Br)F 78fc8c50e142efa6e3b96c01d32e4d13 [0,2,0,0,0,0|1,1,0]=4 38 B18R2.2189083 CCCNC(=O)c1cn2cc(cc(c2n1)C)Cl a4a84527fd4f542e13eab6f96a15089b [0,2,0,0,0,0|2,0,0]=4 39 B18R2.2189083 CCCNC(=O)c1cn2nc(cc(c2n1)Br)Cl 6849bd3be6a3c60d8051cc2d357f1864 [0,2,0,0,0,0|2,0,0]=4 40 B18R2.2189083 Cc1cc(c2nc(cn2c1)C(=O)NCC#N)Br e12824047450dff77dce53b573808846 [0,2,0,0,0,0|1,0,1]=4 41 B18R2.2189083 Cc1cc(c2nc(cn2c1)C(=O)NCCBr)Br ae059a222bea85bc481d00da43923989 [0,2,0,0,0,0|2,0,0]=4 42 B18R2.2189083 Cc1cc(c2nc(cn2c1)C(=O)NCCF)Br 4636c0d5464fd40a6c889b5ff4636cc3 [0,2,0,0,0,0|2,0,0]=4 43 B18R2.2189083 Cc1cc(c2nc(cn2c1)C(=O)NCCI)Br e6d118b1001ecc18e65bd1b2c8a55b00 [0,2,0,0,0,0|2,0,0]=4 44 B18R2.2189083 Cc1cc(c2nc(cn2c1)C(=O)NCCO)Br bb241bca016ef5bc4ef1d3afcf97f916 [0,2,0,0,0,0|2,0,0]=4 45 B18R2.2189083 Cc1cc(c2nc(cn2c1)C(=O)NCCS)Br 08bae1386b8085f7784f277b43ae2401 [0,2,0,0,0,0|2,0,0]=4 46 B18R2.2189083 Cc1cc(cn2c1nc(c2)C(=O)NCC#N)Cl 0d9cbc161e6f71eca27afdd9df5402fe [0,2,0,0,0,0|1,0,1]=4 47 B18R2.2189083 Cc1cc(cn2c1nc(c2)C(=O)NCCBr)Cl b71389965bb8c371456767866463b59f [0,2,0,0,0,0|2,0,0]=4 48 B18R2.2189083 Cc1cc(cn2c1nc(c2)C(=O)NCCF)Cl c825fad57f99293cf8b443c1fd3e7ab9 [0,2,0,0,0,0|2,0,0]=4 49 B18R2.2189083 Cc1cc(cn2c1nc(c2)C(=O)NCCI)Cl aad558ab18482cc2aabbef69d19f870f [0,2,0,0,0,0|2,0,0]=4 50 B18R2.2189083 Cc1cc(cn2c1nc(c2)C(=O)NCCO)Cl 78f22ff6f2296ca48621889925121b89 [0,2,0,0,0,0|2,0,0]=4 51 B18R2.2189083 Cc1cc(cn2c1nc(c2)C(=O)NCCS)Cl ed9b646448fa9015116f89650fa8a522 [0,2,0,0,0,0|2,0,0]=4 52 B18R2.2189083 N#CCNC(=O)c1cn2cc(cc(c2n1)Br)Br ddfe312e1afb448b65ed2615aa288556 [0,2,0,0,0,0|0,1,1]=4 53 B18R2.2189083 N#CCNC(=O)c1cn2cc(cc(c2n1)Br)Cl f32783e0f206e51266c979b2de451615 [0,2,0,0,0,0|0,0,1]=3 54 B18R2.2189083 N#CCNC(=O)c1cn2cc(cc(c2n1)Br)F 325e4ce196450cee6e17483c9d0e5fe7 [0,2,0,0,0,0|0,1,1]=4 55 B18R2.2189083 N#CCNC(=O)c1cn2nc(cc(c2n1)Br)Cl b786cc46e437580b2f4beac2cf68f5b2 [0,2,0,0,0,0|1,0,1]=4 56 B18R2.2189083 O=C(NCCBr)c1cn2cc(cc(c2n1)Br)Br 05605ac264fccdd340d96eea8574ae98 [0,2,0,0,0,0|1,1,0]=4 57 B18R2.2189083 O=C(NCCBr)c1cn2cc(cc(c2n1)Br)F 4a92ff0d45ac06d740ee52c0c4372871 [0,2,0,0,0,0|1,1,0]=4 58 B18R2.2189083 O=C(NCCBr)c1cn2nc(cc(c2n1)Br)Cl dea7f174846cca9f89d87ba60fffe79a [0,2,0,0,0,0|2,0,0]=4 59 B18R2.2189083 O=C(NCCF)c1cn2cc(cc(c2n1)Br)Br 791323adcb361436526e5a5a5e59ca42 [0,2,0,0,0,0|1,1,0]=4 60 B18R2.2189083 O=C(NCCF)c1cn2cc(cc(c2n1)Br)Cl c7371f154a43f2fda52baab52c84ef34 [0,2,0,0,0,0|1,0,0]=3 61 B18R2.2189083 O=C(NCCF)c1cn2cc(cc(c2n1)Br)F 3fc9094cea441f9d8589463444576915 [0,2,0,0,0,0|1,1,0]=4 62 B18R2.2189083 O=C(NCCF)c1cn2nc(cc(c2n1)Br)Cl f27bb8ea085c3246f6d27856493ca471 [0,2,0,0,0,0|2,0,0]=4 63 B18R2.2189083 O=C(NCCI)c1cn2cc(cc(c2n1)Br)Br b78d38588f727593e6a3cec95350dc02 [0,2,0,0,0,0|1,1,0]=4 64 B18R2.2189083 O=C(NCCI)c1cn2cc(cc(c2n1)Br)Cl 39446eb0eac1907a3d365b4ba30f0a89 [0,2,0,0,0,0|1,0,0]=3 65 B18R2.2189083 O=C(NCCI)c1cn2cc(cc(c2n1)Br)F 4b9cf14a4ac2893b392cca274bf3c020 [0,2,0,0,0,0|1,1,0]=4 66 B18R2.2189083 O=C(NCCI)c1cn2nc(cc(c2n1)Br)Cl d08c0a1db629bfc71d5812c3e57c3d7d [0,2,0,0,0,0|2,0,0]=4 67 B18R2.2189083 O=C(NCCO)c1cn2cc(cc(c2n1)Br)Br 591973cc5e046b1736891f3cca3d2b22 [0,2,0,0,0,0|1,1,0]=4 68 B18R2.2189083 O=C(NCCO)c1cn2cc(cc(c2n1)Br)Cl 88f4c8f744bdeb9108ca62c006b63d0f [0,2,0,0,0,0|1,0,0]=3 69 B18R2.2189083 O=C(NCCO)c1cn2cc(cc(c2n1)Br)F 17e23f5189ce68540779a52f347b84e1 [0,2,0,0,0,0|1,1,0]=4 70 B18R2.2189083 O=C(NCCO)c1cn2nc(cc(c2n1)Br)Cl 7ed541b5ecc63203f09b66e4ee8e170c [0,2,0,0,0,0|2,0,0]=4 71 B18R2.2189083 O=C(NCCS)c1cn2cc(cc(c2n1)Br)Br c23dfd1c38aa0b0023bc0cc84ed631d0 [0,2,0,0,0,0|1,1,0]=4 72 B18R2.2189083 O=C(NCCS)c1cn2cc(cc(c2n1)Br)Cl dd88881d5b19a43977bf69088de5cb10 [0,2,0,0,0,0|1,0,0]=3 73 B18R2.2189083 O=C(NCCS)c1cn2cc(cc(c2n1)Br)F 667a300f63a631178194550713bf0eee [0,2,0,0,0,0|1,1,0]=4 74 B18R2.2189083 O=C(NCCS)c1cn2nc(cc(c2n1)Br)Cl dddb47f62fb98b8d600e60905253f51f [0,2,0,0,0,0|2,0,0]=4 75 B16R2.5342 C#CC(=O)Nc1cn2cc(ccc2n1)Cl 341f277b435cf8603c2c2e65be689a9a [1,0,0,0,0,1|2,0,0]=4 76 B16R2.5342 C=CC(=O)Nc1cn2cc(ccc2n1)Cl 81e68d7a5443cf11f86b5a8a526ee7ef [1,0,0,0,0,1|2,0,0]=4 77 B16R2.5342 CCC(=O)Nc1cn2cc(ccc2n1)Cl 3875682f7358a66da7c927528ee91b2f [1,0,0,0,0,1|2,0,0]=4 78 B16R2.5342 O=C(CF)Nc1cn2cc(ccc2n1)Cl 62a7342e228c55f8ae4baa33b6245cd5 [1,0,0,0,0,1|2,0,0]=4 79 B16R2.5342 O=C(CS)Nc1cn2cc(ccc2n1)Cl d5439b02f380c6c98144673cdd0936b9 [1,0,0,0,0,1|2,0,0]=4 80 B16R2.5342 O=CC(=O)Nc1cn2cc(ccc2n1)Cl 671ca07b0c3f593141d1b45e7cf79be5 [1,0,0,0,0,1|2,0,0]=4 81 B16R2.5346 C#CC(=O)Nc1cn2cccc(c2n1)Br 7e85d2193c384b2ebd8edcc2c91aaaa9 [1,0,0,0,0,1|2,0,0]=4 82 B16R2.5346 C=CC(=O)Nc1cn2cccc(c2n1)Br 46cbaae5bb3b01f55f50a3e5fcb8a4d0 [1,0,0,0,0,1|2,0,0]=4 83 B16R2.5346 CCC(=O)Nc1cn2cccc(c2n1)Br 580fb6f2e854833a7fae361d38f14239 [1,0,0,0,0,1|2,0,0]=4 84 B16R2.5346 O=C(CF)Nc1cn2cccc(c2n1)Br c0473cb571e490d46ed71b103fae294b [1,0,0,0,0,1|2,0,0]=4 85 B16R2.5346 O=C(CO)Nc1cn2cccc(c2n1)Br d7574f0dec9d53a7120424df39dc7f37 [1,0,0,0,0,1|2,0,0]=4 86 B16R2.5346 O=C(CS)Nc1cn2cccc(c2n1)Br 349724d4491d90ccc6e322efea170043 [1,0,0,0,0,1|2,0,0]=4 87 B16R2.5346 O=CC(=O)Nc1cn2cccc(c2n1)Br 904ff27658fe411ed8abc64caf266616 [1,0,0,0,0,1|2,0,0]=4 88 B18R2.1766702 CNC(=O)CNc1nc2c(cc(cn2n1)Cl)Br 1e17045f792cde2051d3f5464589e8ba [0,0,0,0,0,2|2,0,0]=4