SMILES for Bromodomain-containing protein 3 [51-123]

96 SMILES Strings for Bromodomain-containing protein 3 [51-123]

Compound Name

SMILES String

CCc1n[nH]c(CC)c1-c1nccc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12 |(1.07,4.53,;.13,3.67,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.46,3.6,;-6.42,4.44,;-2.66,3.22,;-2.64,1.63,;-3.92,.87,;-3.92,-.64,;-2.64,-1.4,;-1.3,-.64,;,-1.4,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;3.96,.87,;5.34,1.67,;5.34,2.95,;2.62,1.63,;1.3,.87,;-1.3,.87,)|

BDBM50092310

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]nc3C3CC3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-3.96,4.12,;-5.16,3.71,;-3.48,5.64,;-1.89,5.66,;-1.38,4.15,;.14,3.67,;1.21,2.62,;1.55,4.18,;-1.3,.87,)|

BDBM179474

COc1cc6c(cc1c2c(C)noc2C)[nH]c5ccnc(c3c(C)[nH]nc3c4ccccc4)c56

BDBM179477

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)[nH]c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;.57,1.72,;2.54,3.59,;4.08,3.59,;5.11,4.73,;6.61,4.41,;7.09,2.95,;6.06,1.8,;4.55,2.12,;2.46,-1.17,)|

BDBM50092330

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Cl)c21 |(5.4,2.98,;5.4,1.69,;4.01,.88,;2.65,1.65,;1.32,.88,;1.32,-.65,;2.65,-1.41,;4.01,-.65,;5.4,-1.46,;5.55,-3.05,;4.58,-3.9,;7.12,-3.38,;7.92,-1.99,;6.85,-.79,;7.11,.47,;,-1.41,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-2.68,2.94,;-1.32,.88,)|

BDBM50092339

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccncc21 |(5.4,2.98,;5.4,1.69,;4.01,.88,;2.65,1.65,;1.32,.88,;1.32,-.65,;2.65,-1.41,;4.01,-.65,;5.4,-1.46,;5.55,-3.05,;4.58,-3.9,;7.12,-3.38,;7.92,-1.99,;6.85,-.79,;7.11,.47,;,-1.41,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-1.32,.88,)|

BDBM50092324

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)noc3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)|

BDBM50092318

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-1.3,.87,)|

BDBM50092323

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)n[nH]c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)|

BDBM50092316

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c21 |(5.34,2.95,;5.34,1.67,;3.96,.87,;2.62,1.63,;1.3,.87,;1.3,-.64,;2.62,-1.4,;3.96,-.64,;5.34,-1.44,;5.49,-3.01,;4.53,-3.86,;7.04,-3.34,;7.84,-1.97,;6.77,-.78,;7.03,.46,;,-1.4,;-1.3,-.64,;-2.64,-1.4,;-3.92,-.64,;-3.92,.87,;-2.64,1.63,;-2.66,3.22,;-1.38,4.15,;-.17,3.76,;-1.89,5.66,;-3.48,5.64,;-4.24,6.66,;-3.96,4.12,;-5.16,3.71,;-1.3,.87,)|

BDBM179640

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn(nc3C)-c3ccccc3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;5.11,-.9,;3.7,-.27,;3.31,1.22,;4.55,2.12,;4.08,3.59,;2.54,3.59,;2.06,2.12,;.57,1.72,;4.98,4.83,;6.51,4.67,;7.42,5.92,;6.79,7.33,;5.26,7.49,;4.35,6.24,;2.46,-1.17,)|

BDBM186321

CCc1onc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC |(8.51,.94,;7.05,.46,;6.79,-.79,;7.86,-1.97,;7.06,-3.35,;5.51,-3.02,;4.56,-3.87,;5.36,-1.45,;3.99,-.65,;2.64,-1.4,;1.32,-.65,;.02,-1.4,;-1.28,-.65,;-2.62,-1.4,;-3.9,-.65,;-3.9,.87,;-2.62,1.63,;-2.64,3.17,;-1.28,.87,;1.32,.87,;2.64,1.63,;3.99,.87,;5.36,1.67,;5.36,2.94,)|

BDBM186322

CCc1noc(C)c1-c1cc2[nH]c3ccnc(Cl)c3c2cc1OC |(3.09,-3.38,;4.56,-3.87,;5.51,-3.02,;7.06,-3.35,;7.86,-1.97,;6.79,-.79,;7.05,.46,;5.36,-1.45,;3.99,-.65,;2.65,-1.4,;1.32,-.65,;.02,-1.4,;-1.28,-.65,;-2.62,-1.4,;-3.9,-.65,;-3.9,.87,;-2.62,1.63,;-2.64,3.17,;-1.28,.87,;1.32,.87,;2.65,1.63,;3.99,.87,;5.36,1.67,;5.36,2.94,)|

BDBM179475

COc1cc2c(cc1-c1c(C)n[nH]c1C)[nH]c1ccnc(Cl)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.46,-1.17,)|

BDBM50092325

COc1cc2c(cc1-c1c(C)nn(C)c1C)[nH]c1ccnc(Cl)c21 |(5.4,2.98,;5.4,1.69,;4.01,.88,;2.65,1.65,;1.32,.88,;1.32,-.65,;2.65,-1.41,;4.01,-.65,;5.4,-1.46,;5.55,-3.05,;4.58,-3.9,;7.12,-3.38,;7.92,-1.99,;9.2,-1.85,;6.85,-.79,;7.11,.47,;,-1.41,;-1.32,-.65,;-2.67,-1.41,;-3.97,-.65,;-3.97,.88,;-2.67,1.65,;-2.68,2.94,;-1.32,.88,)|

BDBM179480

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3c(C)[nH]c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;.57,1.72,;2.54,3.59,;4.08,3.59,;5.11,4.73,;6.61,4.41,;7.09,2.95,;6.06,1.8,;4.55,2.12,;2.46,-1.17,)|

BDBM179481

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;1.84,1.69,;1.52,3.2,;2.66,4.23,;4.13,3.75,;5.27,4.79,;6.74,4.31,;7.06,2.8,;5.91,1.77,;4.45,2.25,;2.46,-1.17,)|

BDBM179485

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cccc(c3)C(C)(C)O)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;4.63,3.7,;4.79,2.17,;5.87,4.6,;5.71,6.14,;7.28,3.98,;6.03,3.07,;2.46,-1.17,)|

BDBM179490

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;1.01,12.61,;-.08,10.17,;.09,8.64,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)|

BDBM179491

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)NC4CCN(CC4)C4COC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;-.08,10.17,;.09,8.64,;1.01,12.61,;-.24,13.51,;.64,14.83,;1.91,13.86,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)|

BDBM179492

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(C(=O)N4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;4.31,6.76,;1.65,6.48,;1.49,8.01,;.08,8.64,;-1.16,7.74,;-2.57,8.36,;-1,6.2,;.41,5.58,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)|

BDBM179493

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(C)CC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.36,11.22,;-1.09,8.57,;-.18,7.33,;2.46,-1.17,)|

BDBM179574

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3CCOCC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.09,8.57,;-.18,7.33,;-1.36,11.22,;-.74,12.63,;-1.64,13.88,;-3.17,13.72,;-3.8,12.31,;-2.9,11.06,;2.46,-1.17,)|

BDBM179627

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc([nH]c3C(C)C)C(=O)NC3CCN(CC3)C3COC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.31,1.22,;2.06,2.12,;2.54,3.59,;4.08,3.59,;4.55,2.12,;6.04,1.72,;6.44,.24,;7.13,2.81,;1.63,4.83,;.1,4.67,;2.26,6.24,;1.35,7.49,;1.98,8.89,;1.07,10.14,;-.46,9.98,;-1.09,8.57,;-.18,7.33,;-1.36,11.22,;-2.87,11.54,;-2.63,13.15,;-1.13,12.65,;2.46,-1.17,)|

BDBM179638

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(C)CC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;4.79,2.17,;4.63,3.7,;3.22,4.33,;1.97,3.42,;2.14,1.89,;.57,4.05,;-.97,4.08,;.9,5.55,;.23,2.54,;5.87,4.6,;5.71,6.14,;7.28,3.98,;8.53,4.88,;9.93,4.26,;11.18,5.16,;11.02,6.69,;12.26,7.6,;9.61,7.32,;8.37,6.41,;2.46,-1.17,)|

BDBM179639

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3cc(cc(c3)C(C)(C)C)C(=O)NC3CCN(CC3)C3COC3)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;4.79,2.17,;4.63,3.7,;3.22,4.33,;1.97,3.42,;2.14,1.89,;.57,4.05,;-.97,4.08,;.9,5.55,;.23,2.54,;5.87,4.6,;5.71,6.14,;7.28,3.98,;8.53,4.88,;9.93,4.26,;11.18,5.16,;11.02,6.69,;9.61,7.32,;8.37,6.41,;12.26,7.6,;12.44,8.85,;14,8.72,;13.62,7.1,;2.46,-1.17,)|

BDBM179633

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(C)CC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;1.65,6.48,;.41,5.58,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;1.01,12.61,;-.08,10.17,;.09,8.64,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)|

BDBM179637

COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccc(NC(=O)N4CCN(CC4)C4COC4)c4ccccc34)c21 |(-1.5,3.22,;-2.13,1.81,;-1.36,.48,;.18,.48,;.95,-.85,;.18,-2.19,;-1.36,-2.19,;-2.13,-.85,;-3.67,-.85,;-4.57,-2.1,;-4.18,-3.59,;-6.04,-1.62,;-6.04,-.08,;-4.57,.39,;-4.18,1.88,;1.21,-3.33,;2.62,-2.71,;4.03,-3.33,;5.27,-2.43,;6.68,-3.05,;5.11,-.9,;3.7,-.27,;3.54,1.26,;2.14,1.89,;1.97,3.42,;3.22,4.33,;3.06,5.86,;1.65,6.48,;.41,5.58,;1.49,8.01,;2.74,8.92,;2.58,10.45,;1.17,11.08,;-.08,10.17,;.09,8.64,;1.01,12.61,;1.76,13.53,;.76,14.4,;.02,13.22,;4.63,3.7,;5.87,4.6,;7.28,3.98,;7.44,2.45,;6.2,1.54,;4.79,2.17,;2.46,-1.17,)|

BDBM313771

Cc1nnn2CCN(c3ccccc3)c3ccccc3-c12

BDBM313773

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(C)nc1

BDBM313774

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1ccc(N)nc1

BDBM313775

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cc[nH]n1

BDBM313776

Cc1nnn2CCN(c3ccc(Cl)cc3)c3ccccc3-c12

BDBM313777

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)-c1cnc(N)nc1

BDBM313778

C[C@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|

BDBM313779

C[C@@H]1CN(c2ccc(Cl)cc2)c2ccccc2-c2c(C)nnn12 |r|

BDBM313780

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(Cn4cccn4)ccc3-c12

BDBM313781

Cc1nnn2C(CCO)CN(c3ccc(Cl)cc3)c3ccccc3-c12

BDBM313782

Cc1nnn2CCN(c3cccc(Br)c3)c3ccccc3-c12

BDBM313783

Cc1nnn2CCN(c3cccc(C=C)c3)c3ccccc3-c12

BDBM313784

Cc1nnn2CCN(c3cccc(c3)C(O)CO)c3ccccc3-c12

BDBM313786

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CCN4CCOCC4)ccc3-c12

BDBM313787

COC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1

BDBM313788

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(O)=O

BDBM313789

C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccc(F)cc1 |r|

BDBM313790

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(CO)ccc3-c12

BDBM313791

C[C@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|

BDBM313792

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)Nc1ccccc1

BDBM313793

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NCc1ccccc1

BDBM313794

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NC(c1ccccc1)c1ccccc1

BDBM313795

C[C@@H](NC(=O)c1ccc2-c3c(C)nnn3CCN(c3ccc(Cl)cc3)c2c1)c1ccccc1 |r|

BDBM313796

Cc1nnn2CCN(c3ccc(Cl)cc3)c3cc(ccc3-c12)C(=O)NS(=O)(=O)c1ccccc1

BDBM205429

Cc1nnc2[C@@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|

BDBM50103503

Cc1cc(cc(c1OCCO)C)C2=Nc3cc(cc(c3C(=O)N2)OC)OC

BDBM50370182

Cc1cc(\N=N\c2ccc3NC(=O)CCc3c2)c(N)cc1O

BDBM50370181

Cc1cc(\N=N\c2ccc(cc2)S(=O)(=O)NC2CCCC2)c(N)cc1O

BDBM518731

FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 |r|

BDBM518799

OC1CCN(C[C@@H]2CCCN2S(=O)(=O)c2ccc(NC(=O)Nc3ccc(cc3)C(F)(F)F)cc2)CC1 |r|

BDBM50527819

Cc1cc(cc(c1OC[C@@H](CN2CCN(CC2)C)O)C)C3=CC(=O)c4c(cc(cc4OC)OC)O3

BDBM518854

FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCCC2)cc1

BDBM543480

CC(C)(C)S(=O)(=O)Nc1cccc(Nc2nc(NC3CCNCC3)nc3sccc23)c1

BDBM543486

CN1CCC(CC1)Nc1nc(Nc2ccc3CCN(c3c2)S(=O)(=O)C(C)(C)C)c2ccsc2n1

BDBM543516

Cc1cnc(nc1Nc2cccc(c2)NS(=O)(=O)C(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C

BDBM543542

CN1CCN(CC1)c1ccc(Nc2nc3COCc3c(Nc3cccc(NS(=O)(=O)C(C)(C)C)c3)n2)cc1

BDBM50365262

Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14|

BDBM543568

CN1CCN(CC1)c1ccc(Nc2nc(Nc3ccc(C)c(NS(=O)(=O)C(C)(C)C)c3)c3ccccc3n2)cc1

BDBM543570

CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(C)c(Nc3ccc4CCN(c4c3)S(=O)(=O)C(C)(C)C)n2)cc1F

BDBM543578

Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(NS(=O)(=O)C(C)(C)C)c1

BDBM543569

CN1CCN(CC1)c1ccc(Nc2ncc(C)c(Nc3ccc4CCN(c4c3)S(=O)(=O)C(C)(C)C)n2)cc1F

BDBM543581

COc1cc(Nc2nc(Nc3ccc(cc3)N3CCN(C)CC3)nc3ccccc23)ccc1Cl

BDBM192755

Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)N4CCN(CC4)C

BDBM543503

CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1

BDBM543492

CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C5CC5)c4)c3n2)cc1

BDBM543614

CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F

BDBM543617

CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc12

BDBM543629

CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1

BDBM543494

O=S(=O)(Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)N3CCNCC3)nc12)C1CC1

BDBM543638

CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F

BDBM543639

CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(cc3)C3CCNCC3)nc12

BDBM543649

COc1cc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)ccc1N1CCN(C)CC1

BDBM543505

CN(C)C1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1

BDBM543652

CN1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1C#N

BDBM543677

CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c(F)c3)nc12

BDBM543682

CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F

BDBM543684

COc1cc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)ccc1N1CCNCC1

BDBM543479

CN(C)C1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F

BDBM543701

CNCCNC(=O)Cc1ccc(Nc2ncc3ccn(-c4cccc(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1

BDBM543756

CC(C)(C)S(=O)(=O)Nc1cccc(c1)-c1csc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc12

BDBM543757

CN(C)C1CCN(CC1)c1ccc(Nc2ncc3scc(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F

BDBM543758

CN(C)C1CCN(CC1)c1ccc(Nc2ncc3scc(-c4ccc(F)c(NS(=O)(=O)C5(C)CC5)c4)c3n2)cc1F

BDBM543481

CC(C)(C)S(=O)(=O)Nc1cc(ccc1F)-n1ccc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc12

BDBM543776

CC(C)(C)S(=O)(=O)Nc1cc(ccc1F)-n1ccc2cnc(Nc3cc4CC5CNCCN5c4c(F)c3)nc12

BDBM543789

CNC1CCN(CC1)c1ccc(Nc2ncc3ccn(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F

BDBM543791

CNC1CCN(CC1)c1ccc(Nc2ncc3scc(-c4ccc(F)c(NS(=O)(=O)C(C)(C)C)c4)c3n2)cc1F

BDBM543795

CC(C)(C)S(=O)(=O)Nc1cccc(c1)-n1ccc2cnc(Nc3ccc(C(=O)N4CCNCC4)c(F)c3)nc12

BDBM543797

CC(C)(C)S(=O)(=O)Nc1cccc(c1)-c1csc2cnc(Nc3ccc4C5CNCCN5CCc4c3)nc12