269 SMILES Strings for Catenin beta-1/Protein Wnt-3a

Compound Name
SMILES String
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4nc[nH]c4c3)nc12 |r,wU:4.7,1.0,(8.52,-4.99,;7.19,-4.22,;5.85,-4.99,;4.52,-4.22,;4.52,-2.68,;5.85,-1.91,;7.19,-2.68,;3.19,-1.91,;3.19,-.37,;4.52,.4,;4.52,1.94,;3.19,2.71,;1.85,1.94,;.52,2.71,;-.82,1.94,;-.82,.4,;-2.15,-.37,;-3.48,.4,;-3.48,1.94,;-4.82,2.71,;-6.15,1.94,;-7.61,2.41,;-8.52,1.17,;-7.61,-.08,;-6.15,.4,;-4.82,-.37,;.52,-.37,;1.85,.4,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4[nH]c(CN5CCCC5)nc4c3)nc12 |r,wU:4.7,1.0,(10.68,-3.85,;9.35,-3.08,;8.02,-3.85,;6.68,-3.08,;6.68,-1.54,;8.02,-.77,;9.35,-1.54,;5.35,-.77,;5.35,.77,;6.68,1.54,;6.68,3.08,;5.35,3.85,;4.01,3.08,;2.68,3.85,;1.35,3.08,;1.35,1.54,;.01,.77,;-1.32,1.54,;-1.32,3.08,;-2.65,3.85,;-3.99,3.08,;-5.45,3.56,;-6.36,2.31,;-7.9,2.31,;-8.67,.98,;-10.21,.98,;-10.68,-.49,;-9.44,-1.39,;-8.19,-.49,;-5.45,1.06,;-3.99,1.54,;-2.65,.77,;2.68,.77,;4.01,1.54,)|
OCc1nc2cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc2[nH]1 |r,wU:17.16,20.20,(-9.68,.98,;-8.91,2.31,;-7.37,2.31,;-6.46,1.06,;-5,1.54,;-3.66,.77,;-2.33,1.54,;-.99,.77,;.34,1.54,;.34,3.08,;1.67,3.85,;3.01,3.08,;4.34,3.85,;5.67,3.08,;5.67,1.54,;4.34,.77,;4.34,-.77,;5.67,-1.54,;5.67,-3.08,;7.01,-3.85,;8.34,-3.08,;9.68,-3.85,;8.34,-1.54,;7.01,-.77,;3.01,1.54,;1.67,.77,;-2.33,3.08,;-3.66,3.85,;-5,3.08,;-6.46,3.56,)|
Cc1ccc2cnc(Nc3ccc4nc[nH]c4c3)nc2c1O[C@@H]1CC[C@H](O)CC1 |r,wU:22.25,25.29,(5.85,.77,;4.52,1.54,;4.52,3.08,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,;3.19,.77,;3.19,-.77,;4.52,-1.54,;4.52,-3.08,;5.85,-3.85,;7.19,-3.08,;8.52,-3.85,;7.19,-1.54,;5.85,-.77,)|
Cc1nc2ccc(Nc3ncc4ccc(Br)c(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:18.17,21.21,(-9.29,2.31,;-7.75,2.31,;-6.84,3.56,;-5.38,3.08,;-4.05,3.85,;-2.71,3.08,;-2.71,1.54,;-1.38,.77,;-.05,1.54,;-.05,3.08,;1.29,3.85,;2.62,3.08,;3.96,3.85,;5.29,3.08,;5.29,1.54,;6.62,.77,;3.96,.77,;3.96,-.77,;5.29,-1.54,;5.29,-3.08,;6.62,-3.85,;7.96,-3.08,;9.29,-3.85,;7.96,-1.54,;6.62,-.77,;2.62,1.54,;1.29,.77,;-4.05,.77,;-5.38,1.54,;-6.84,1.06,)|
Cc1nc2c(Br)cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:18.17,21.21,(-9.29,1.54,;-7.75,1.54,;-6.84,2.79,;-5.38,2.31,;-4.05,3.08,;-4.05,4.62,;-2.71,2.31,;-2.71,.77,;-1.38,,;-.05,.77,;-.05,2.31,;1.29,3.08,;2.62,2.31,;3.96,3.08,;5.29,2.31,;5.29,.77,;3.96,,;3.96,-1.54,;5.29,-2.31,;5.29,-3.85,;6.62,-4.62,;7.96,-3.85,;9.29,-4.62,;7.96,-2.31,;6.62,-1.54,;2.62,.77,;1.29,,;-4.05,,;-5.38,.77,;-6.84,.29,)|
Cc1nc2c(C)cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:18.17,21.21,(-9.33,1.54,;-7.79,1.54,;-6.84,2.79,;-5.38,2.31,;-4.05,3.08,;-4.05,4.62,;-2.71,2.31,;-2.71,.77,;-1.38,,;-.05,.77,;-.05,2.31,;1.29,3.08,;2.62,2.31,;3.96,3.08,;5.29,2.31,;5.29,.77,;3.96,,;3.96,-1.54,;5.29,-2.31,;5.29,-3.85,;6.62,-4.62,;7.96,-3.85,;9.29,-4.62,;7.96,-2.31,;6.62,-1.54,;2.62,.77,;1.29,,;-4.05,,;-5.38,.77,;-6.84,.29,)|
COCc1nc2ccc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:19.18,22.22,(-8.91,-.36,;-9.68,.98,;-8.91,2.31,;-7.37,2.31,;-6.46,3.56,;-5,3.08,;-3.66,3.85,;-2.33,3.08,;-2.33,1.54,;-.99,.77,;.34,1.54,;.34,3.08,;1.67,3.85,;3.01,3.08,;4.34,3.85,;5.67,3.08,;5.67,1.54,;4.34,.77,;4.34,-.77,;5.67,-1.54,;5.67,-3.08,;7.01,-3.85,;8.34,-3.08,;9.68,-3.85,;8.34,-1.54,;7.01,-.77,;3.01,1.54,;1.67,.77,;-3.66,.77,;-5,1.54,;-6.46,1.06,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4nc([nH]c4c3)C(F)(F)F)nc12 |r,wU:4.7,1.0,(9.29,-3.85,;7.96,-3.08,;6.62,-3.85,;5.29,-3.08,;5.29,-1.54,;6.62,-.77,;7.96,-1.54,;3.96,-.77,;3.96,.77,;5.29,1.54,;5.29,3.08,;3.96,3.85,;2.62,3.08,;1.29,3.85,;-.05,3.08,;-.05,1.54,;-1.38,.77,;-2.71,1.54,;-2.71,3.08,;-4.05,3.85,;-5.38,3.08,;-6.84,3.56,;-7.75,2.31,;-6.84,1.06,;-5.38,1.54,;-4.05,.77,;-9.29,2.31,;-10.06,3.64,;-10.06,.98,;-8.52,.98,;1.29,.77,;2.62,1.54,)|
C[C@H](O)c1nc2ccc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)cc2[nH]1 |r,wU:1.1,wD:19.18,22.22,(-6.62,-4.32,;-5.08,-4.32,;-4.31,-5.65,;-4.31,-2.99,;-2.78,-2.83,;-2.46,-1.32,;-1.12,-.55,;-1.12,.99,;-2.46,1.76,;-2.46,3.3,;-1.12,4.07,;-1.12,5.61,;.21,6.38,;1.55,5.61,;2.88,6.38,;4.21,5.61,;4.21,4.07,;2.88,3.3,;2.88,1.76,;4.21,.99,;5.55,1.76,;6.88,.99,;6.88,-.55,;8.21,-1.32,;5.55,-1.32,;4.21,-.55,;1.55,4.07,;.21,3.3,;-3.79,.99,;-3.79,-.55,;-4.93,-1.58,)|
OCc1cc(Nc2ncc3cccc(O[C@@H]4CC[C@H](O)CC4)c3n2)cc2[nH]cnc12 |r,wU:15.14,18.18,(-3.48,5,;-4.82,4.23,;-4.82,2.69,;-3.48,1.93,;-3.48,.38,;-2.15,-.38,;-.82,.38,;-.82,1.93,;.52,2.69,;1.85,1.93,;3.19,2.69,;4.52,1.93,;4.52,.38,;3.19,-.38,;3.19,-1.93,;4.52,-2.69,;4.52,-4.23,;5.85,-5,;7.19,-4.23,;8.52,-5,;7.19,-2.69,;5.85,-1.92,;1.85,.38,;.52,-.38,;-4.82,-.38,;-6.15,.38,;-7.61,-.09,;-8.52,1.15,;-7.61,2.4,;-6.15,1.93,)|
Cc1cc2nc[nH]c2cc1Nc1ncc2cccc(O[C@@H]3CC[C@H](O)CC3)c2n1 |r,wU:20.21,23.25,(-2.93,4,;-3.96,2.85,;-5.47,3.18,;-6.5,2.03,;-8.04,2.03,;-8.52,.57,;-7.27,-.34,;-6.02,.57,;-4.52,.25,;-3.49,1.39,;-2.15,.62,;-.82,1.39,;-.82,2.93,;.51,3.7,;1.85,2.93,;3.18,3.7,;4.51,2.93,;4.51,1.39,;3.18,.62,;3.18,-.92,;4.51,-1.69,;4.51,-3.23,;5.85,-4,;7.18,-3.23,;8.52,-4,;7.18,-1.69,;5.85,-.92,;1.85,1.39,;.51,.62,)|
O[C@H]1CC[C@H](CC1)Oc1c(Br)ccc2cnc(Nc3ccc4nc[nH]c4c3)nc12 |r,wU:4.7,1.0,(8.52,-3.85,;7.19,-3.08,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;5.85,-.77,;7.19,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;5.85,.77,;4.52,3.08,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,)|
O[C@H]1CC[C@H](CC1)Oc1cc(F)cc2cnc(Nc3ccc4nc[nH]c4c3)nc12 |r,wU:4.7,1.0,(8.52,-3.85,;7.19,-3.08,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;5.85,-.77,;7.19,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;4.52,3.08,;5.85,3.85,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4ncccc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4scnc4c3)nc12 |r,wU:4.7,1.0,(8.52,-3.85,;7.19,-3.08,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;5.85,-.77,;7.19,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;4.52,3.08,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccnc4ccccc34)nc12 |r,wU:4.7,1.0,(8,-3.85,;6.67,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;6.67,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.67,3.08,;-6.67,1.54,;-8,.77,;-8,-.77,;-6.67,-1.54,;-5.33,-.77,;-5.33,.77,;,.77,;1.33,1.54,)|
Cc1ccc2cc(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc2n1 |r,wU:17.16,20.20,(-9.34,3.85,;-8,3.08,;-8,1.54,;-6.67,.77,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-1.33,.77,;,1.54,;,3.08,;1.33,3.85,;2.67,3.08,;4,3.85,;5.33,3.08,;5.33,1.54,;4,.77,;4,-.77,;5.33,-1.54,;5.33,-3.08,;6.67,-3.85,;8,-3.08,;9.34,-3.85,;8,-1.54,;6.67,-.77,;2.67,1.54,;1.33,.77,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-6.67,3.85,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4cnccc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccc4ccncc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3cccc4cnccc34)nc12 |r,wU:4.7,1.0,(8,-3.85,;6.67,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;5.33,-.77,;6.67,-1.54,;2.67,-.77,;2.67,.77,;4,1.54,;4,3.08,;2.67,3.85,;1.33,3.08,;,3.85,;-1.33,3.08,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,3.85,;-6.67,3.08,;-6.67,1.54,;-8,.77,;-8,-.77,;-6.67,-1.54,;-5.33,-.77,;-5.33,.77,;,.77,;1.33,1.54,)|
O[C@H]1CC[C@H](CC1)Oc1c(F)ccc2cnc(Nc3ccc4ncsc4c3)nc12 |r,wU:4.7,1.0,(8.52,-3.85,;7.19,-3.08,;5.85,-3.85,;4.52,-3.08,;4.52,-1.54,;5.85,-.77,;7.19,-1.54,;3.19,-.77,;3.19,.77,;4.52,1.54,;5.85,.77,;4.52,3.08,;3.19,3.85,;1.85,3.08,;.52,3.85,;-.82,3.08,;-.82,1.54,;-2.15,.77,;-3.48,1.54,;-3.48,3.08,;-4.82,3.85,;-6.15,3.08,;-7.61,3.56,;-8.52,2.31,;-7.61,1.06,;-6.15,1.54,;-4.82,.77,;.52,.77,;1.85,1.54,)|
O[C@H]1CC[C@H](CC1)Oc1c(F)ccc2cnc(Nc3ccc4ncccc4c3)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;6,.77,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-7.34,3.85,;-8.67,3.08,;-8.67,1.54,;-7.34,.77,;-6,1.54,;-4.67,.77,;.67,.77,;2,1.54,)|
OCc1n[nH]c2cc(Nc3ncc4ccc(F)c(O[C@@H]5CC[C@H](O)CC5)c4n3)ccc12 |r,wU:19.18,22.22,(-6.92,4.99,;-8.01,3.9,;-7.61,2.41,;-8.52,1.17,;-7.61,-.08,;-6.15,.4,;-4.82,-.37,;-3.48,.4,;-2.15,-.37,;-.82,.4,;-.82,1.94,;.52,2.71,;1.85,1.94,;3.19,2.71,;4.52,1.94,;4.52,.4,;5.85,-.37,;3.19,-.37,;3.19,-1.91,;4.52,-2.68,;4.52,-4.22,;5.85,-4.99,;7.19,-4.22,;8.52,-4.99,;7.19,-2.68,;5.85,-1.91,;1.85,.4,;.52,-.37,;-3.48,1.94,;-4.82,2.71,;-6.15,1.94,)|
O[C@H]1CC[C@H](CC1)Oc1cccc2cnc(Nc3ccnc4cc(F)ccc34)nc12 |r,wU:4.7,1.0,(8.67,-3.85,;7.34,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;6,-.77,;7.34,-1.54,;3.33,-.77,;3.33,.77,;4.67,1.54,;4.67,3.08,;3.33,3.85,;2,3.08,;.67,3.85,;-.67,3.08,;-.67,1.54,;-2,.77,;-3.33,1.54,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,;-7.34,-.77,;-8.67,-1.54,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;.67,.77,;2,1.54,)|
COc1ccc2c(Nc3ncc4cccc(O[C@@H]5CC[C@H](O)CC5)c4n3)ccnc2c1 |r,wU:17.16,20.20,(-8.67,-3.08,;-8.67,-1.54,;-7.34,-.77,;-6,-1.54,;-4.67,-.77,;-4.67,.77,;-3.33,1.54,;-2,.77,;-.67,1.54,;-.67,3.08,;.67,3.85,;2,3.08,;3.33,3.85,;4.67,3.08,;4.67,1.54,;3.33,.77,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;8.67,-3.85,;7.34,-1.54,;6,-.77,;2,1.54,;.67,.77,;-3.33,3.08,;-4.67,3.85,;-6,3.08,;-6,1.54,;-7.34,.77,)|
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2OCCOc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2OCCOc2c1
Oc1cc(C(=O)CCC(=O)c2ccccc2)c(O)c2OCCOc12
Oc1c(O)c2OCCOc2cc1C(=O)CCC(=O)c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)CCC(=O)c1ccc2OCCOc2c1
FC(F)(F)c1ccc(cc1)C(=O)CCC(=O)c1ccc2OCCOc2c1
Fc1cccc(c1)C(=O)CCC(=O)c1ccc2OCCOc2c1
COc1ccccc1C(=O)CCC(=O)c1ccc2OCCOc2c1
COc1cccc(c1)C(=O)CCC(=O)c1ccc2OCCOc2c1
O=C(CCC(=O)c1ccc2OCCOc2c1)c1cccnc1
O=C(CCC(=O)c1ccc2OCCOc2c1)c1ccncc1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2OCCSc2c1
FC(F)(F)c1ccc(cc1)C(=O)CCC(=O)c1ccc2OCCSc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2OCCSc2c1
Fc1ccc(cc1)C(=O)CCC(=O)c1ccc2OCCSc2c1
O=C(CCC(=O)c1ccc2OCCSc2c1)c1ccccc1
COc1ccccc1C(=O)CCC(=O)c1ccc2CCCOc2c1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2OCCCc2c1
FC(F)(F)c1cccc(c1)C(=O)CCC(=O)c1ccc2OCCCc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2OCCCc2c1
COc1ccc(cc1)C(=O)CCC(=O)c1ccc2OCCCc2c1
O=C(CCC(=O)c1ccc2OCCCc2c1)c1ccccc1
COc1ccc(cc1OC)C(=O)CCC(=O)c1ccccn1
COc1ccc(cc1OC)C(=O)CCC(=O)c1cccnc1
COc1ccc(cc1OC)C(=O)CCC(=O)c1ccncc1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2OCOc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2OCOc2c1
Fc1cccc(c1)C(=O)CCC(=O)c1ccc2OCOc2c1
COc1ccccc1C(=O)CCC(=O)c1ccc2OCOc2c1
COc1cccc(c1)C(=O)CCC(=O)c1ccc2OCOc2c1
O=C(CCC(=O)c1ccc2OCOc2c1)c1ccccc1
FC1(F)Oc2ccc(cc2O1)C(=O)CCC(=O)c1ccccn1
FC1(F)Oc2ccc(cc2O1)C(=O)CCC(=O)c1ccccc1
FC(F)(F)c1ccc(cc1)C(=O)CCC(=O)c1cccc2OCCOc12
Fc1cccc(c1)C(=O)CCC(=O)c1cccc2OCCOc12
COc1ccccc1C(=O)CCC(=O)c1cccc2OCCOc12
O=C(CCC(=O)c1cccc2OCCOc12)c1ccccc1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1
COc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1
O=C(CCC(=O)c1ccccn1)c1ccc2[nH]ccc2c1
O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)CCC(=O)c1ccc2[nH]cnc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2[nH]cnc2c1
COc1cccc(c1)C(=O)CCC(=O)c1ccc2[nH]cnc2c1
O=C(CCC(=O)c1ccc2[nH]cnc2c1)c1ccccc1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2occc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1
COc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1
O=C(CCC(=O)c1ccc2occc2c1)c1ccccc1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2ocnc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2ocnc2c1
Fc1cccc(c1)C(=O)CCC(=O)c1ccc2ocnc2c1
COc1ccccc1C(=O)CCC(=O)c1ccc2ocnc2c1
O=C(CCC(=O)c1ccc2ocnc2c1)c1ccccc1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1
COc1ccccc1C(=O)CCC(=O)c1ccc2sccc2c1
O=C(CCC(=O)c1ccccn1)c1ccc2sccc2c1
O=C(CCC(=O)c1ccc2sccc2c1)c1ccccc1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12
FC(F)(F)c1ccc(cc1)C(=O)CCC(=O)c1c[nH]c2ccccc12
Fc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12
COc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12
COc1cccc(c1)C(=O)CCC(=O)c1c[nH]c2ccccc12
O=C(CCC(=O)c1ccccc1)c1c[nH]c2ccccc12
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12
Fc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12
COc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12
COc1ccc(cc1)C(=O)CCC(=O)c1n[nH]c2ccccc12
O=C(CCC(=O)c1ccccc1)c1n[nH]c2ccccc12
O=C(CCC(=O)c1ncccn1)c1ccc2OCCOc2c1
O=C(CCC(=O)c1ccncn1)c1ccc2OCCOc2c1
O=C(CCC(=O)c1cccnn1)c1ccc2OCCOc2c1
Cc1ccccc1C(=O)CCC(=O)c1ccc2OCCOc2c1
Cc1cccc(c1)C(=O)CCC(=O)c1ccc2OCCOc2c1
Cc1ccc(cc1)C(=O)CCC(=O)c1ccc2OCCOc2c1
O=C(CCC(=O)c1cncnc1)c1ccc2OCCOc2c1
O=C(CCC(=O)c1ccc2OCCOc2c1)c1ccco1
Cc1ccccc1C(=O)CCC(=O)c1ccc2OCCCc2c1
O=C(CCC(=O)c1ncccn1)c1ccc2OCCCc2c1
O=C(CCC(=O)c1ccc2OCCCc2c1)c1cccs1
O=C(CCC(=O)c1ccc2OCCCc2c1)c1ccco1
Cc1ccccc1C(=O)CCC(=O)c1ccc2OCOc2c1
O=C(CCC(=O)c1ncccn1)c1ccc2OCOc2c1
O=C(CCC(=O)c1ccc2OCOc2c1)c1cccs1
O=C(CCC(=O)c1ccc2OCOc2c1)c1ccco1
Cc1cccc(c1)C(=O)CCC(=O)c1ccc2OC(F)(F)Oc2c1
FC1(F)Oc2ccc(cc2O1)C(=O)CCC(=O)c1ccco1
COc1ccc(cc1OC)C(=O)CCC(=O)c1cccc(C)c1
COc1ccc(cc1OC)C(=O)CCC(=O)c1ccc(C)cc1
COc1ccc(cc1OC)C(=O)CCC(=O)c1cncnc1
COc1ccc(cc1OC)C(=O)CCC(=O)c1ncccn1
COc1ccc(cc1OC)C(=O)CCC(=O)c1ccncn1
COc1ccc(cc1OC)C(=O)CCC(=O)c1cccnn1
O=C(CCC(=O)c1cccc2OCCOc12)c1ccco1
Cc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1
Cc1ccc(cc1)C(=O)CCC(=O)c1ccc2[nH]ccc2c1
O=C(CCC(=O)c1ccc2[nH]ccc2c1)c1cccs1
Cc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1
Cc1cccc(c1)C(=O)CCC(=O)c1ccc2occc2c1
Cc1ccc(cc1)C(=O)CCC(=O)c1ccc2occc2c1
O=C(CCC(=O)c1ccc2occc2c1)c1ccco1
Cc1ccccc1C(=O)CCC(=O)c1ccc2ocnc2c1
Fc1ccccc1C(=O)CCC(=O)c1ccc2[nH]ncc2c1
Fc1ccc(cc1)C(=O)CCC(=O)c1ccc2[nH]ncc2c1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccc2[nH]ncc2c1
Cc1ccc(cc1)C(=O)CCC(=O)c1ccc2[nH]ncc2c1
O=C(CCC(=O)c1ccccn1)c1ccc2[nH]ncc2c1
O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1ccccc1
O=C(CCC(=O)c1ccc2[nH]ncc2c1)c1ccco1
Cc1ccccc1C(=O)CCC(=O)c1c[nH]c2ccccc12
O=C(CCC(=O)c1c[nH]c2ccccc12)c1cccs1
Cc1ccccc1C(=O)CCC(=O)c1n[nH]c2ccccc12
Cc1cccc(c1)C(=O)CCC(=O)c1n[nH]c2ccccc12
Fc1ccccc1C(=O)CCC(=O)c1ccccn1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1ccccn1
Cc1ccccc1C(=O)CCC(=O)c1ccccn1
COc1ccccc1C(=O)CCC(=O)c1ccccn1
O=C(CCC(=O)c1ccccn1)c1ccco1
Fc1ccccc1C(=O)CCC(=O)c1cccs1
FC(F)(F)c1ccccc1C(=O)CCC(=O)c1cccs1
Cc1ccccc1C(=O)CCC(=O)c1cccs1
COc1ccccc1C(=O)CCC(=O)c1cccs1
Fc1cccnc1C(=O)CCC(=O)c1ccc2OCCOc2c1
FC(F)(F)c1cccnc1C(=O)CCC(=O)c1ccc2OCCOc2c1
O=C(CCC(=O)c1ncccn1)c1ccccc1
O=C(CCC(=O)c1ncccn1)c1ccc2CCCCc2c1
Clc1cccnc1C(=O)CCC(=O)c1ccc2OCCOc2c1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2ccccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2cc(CN3CCNCC3)ccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2cc(ccc2n1)B1OC(C)(C)C(C)(C)O1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2cc(O)ccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1cc(Br)c2ccccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2c(Br)cccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2ccc(Br)cc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2cccc(Br)c2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1cc(CN2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2cccc(CN3CCN(CC3)C(=O)OC(C)(C)C)c2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1cc2ccccc2cn1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1cnc2ccccc2c1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2ncccc2c1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2cnccc2c1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2ccncc2c1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2cccnc2c1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1cccc2cccnc12
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1cccc2ncccc12
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ncc2ccccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1cnc2ccccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2ncccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ccc2cccnc2n1
Cc1c(nnn1-c1ccccc1)C(=O)Nc1cnc2ccccc2n1
Cc1c(nnn1-c1ccccc1F)C(=O)Nc1cnc2ccccc2n1
Cc1c(nnn1-c1ccccc1Cl)C(=O)Nc1cnc2ccccc2n1
Cc1c(nnn1-c1ccccc1C#N)C(=O)Nc1cnc2ccccc2n1
COc1ccccc1-n1nnc(C(=O)Nc2cnc3ccccc3n2)c1C
Cc1ccccc1-n1cc(nn1)C(=O)Nc1ccc2ccccc2n1
Cc1ccccc1-n1nnc(n1)C(=O)Nc1ccc2ccccc2n1
O=C(Nc1ccc2ccccc2n1)c1nnn(n1)-c1ccccc1
O=C(Nc1cnc2ccccc2n1)c1nnn(n1)-c1ccccc1
COc1ccccc1-n1nnc(n1)C(=O)Nc1ccc2ccccc2n1
Fc1ccccc1-n1nnc(n1)C(=O)Nc1ccc2ccccc2n1
Clc1ccccc1-n1nnc(n1)C(=O)Nc1ccc2ccccc2n1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1ncc(s1)-c1ccccc1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc(cs1)-c1ccccc1C
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc(cs1)-c1ccc(C)cc1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc(cs1)-c1ccc(C)cc1C
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc(cs1)-c1ccccc1F
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc(cs1)-c1ccccc1Cl
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc(cs1)-c1ccccc1Br
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc(cs1)-c1ccccn1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc(c(s1)-c1ccccc1)-c1ccccc1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccccc2o1
COc1cccc2sc(NC(=O)c3nnn(c3C)-c3ccccc3C)nc12
COc1ccc2sc(NC(=O)c3nnn(c3C)-c3ccccc3C)nc2c1
COc1ccc2nc(NC(=O)c3nnn(c3C)-c3ccccc3C)sc2c1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2c(F)cccc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2cc(F)ccc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccc(F)cc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2c(Cl)cccc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2cc(Cl)ccc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccc(Cl)cc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2c(Br)cccc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2cc(Br)ccc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccc(Br)cc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccc(C)cc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccc(cc2s1)C(F)(F)F
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O
CN(C)c1ccc2[n+](C)c(\C=C\c3cc(C)n(c3C)-c3ccccc3)ccc2c1
c1cc(ccc1c2nc3c(c(n2)O)CSCC3)C(F)(F)F
Cc1ccccc1C1C=C(N=N1)C(=O)Nc1nc2ccccc2s1 |c:9,11|
O=C(Nc1nc2ccccc2s1)c1cnn(n1)-c1ccccc1
Cc1cc(C(=O)Nc2nc3ccccc3s2)c(C)n1-c1ccccc1
O=C(Nc2nc1ccccc1s2)c4csc(c3ccccc3)n4
Cc1c(nnn1-c1ccccc1)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccccc1F)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1cccc(F)c1)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccc(F)cc1)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccccc1Cl)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccc(Cl)cc1)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccccc1Br)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1cccc(Br)c1)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccc(Br)cc1)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccccc1C(F)(F)F)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccccc1OC(F)(F)F)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccc(F)cc1F)C(=O)Nc1nc2ccccc2s1
C\C(Nc1cc(F)ccc1F)=C(\N=N)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1c(F)cccc1F)C(=O)Nc1nc2ccccc2s1 |(2.61,1.68,;2.25,.18,;.84,-.44,;1,-1.98,;2.51,-2.3,;3.28,-.96,;4.81,-.82,;5.47,.57,;4.51,1.78,;7.01,.7,;7.88,-.57,;7.22,-1.96,;5.69,-2.08,;5.19,-3.54,;-.49,.33,;-.49,1.87,;-1.82,-.45,;-3.14,.35,;-3.3,1.89,;-4.8,2.21,;-5.57,3.54,;-7.11,3.54,;-7.88,2.21,;-7.11,.87,;-5.57,.87,;-4.54,-.27,)|
Cc1c(nnn1-c1c(Cl)cccc1Cl)C(=O)Nc1nc2ccccc2s1 |(2.61,1.7,;2.29,.2,;.89,-.43,;1.05,-1.96,;2.55,-2.28,;3.32,-.95,;4.85,-.76,;5.5,.64,;4.58,1.87,;7.04,.77,;7.92,-.49,;7.27,-1.88,;5.74,-2.02,;5.14,-3.44,;-.48,.28,;-.48,1.82,;-1.82,-.48,;-3.15,.29,;-3.33,1.81,;-4.84,2.11,;-5.63,3.44,;-7.17,3.42,;-7.92,2.07,;-7.13,.75,;-5.59,.77,;-4.55,-.36,)|
Cc1c(nnn1-c1c(C)cccc1F)C(=O)Nc1nc2ccccc2s1 |(2.64,1.64,;2.25,.15,;.85,-.47,;1.01,-2,;2.51,-2.32,;3.28,-.99,;4.82,-.84,;5.43,.57,;4.42,1.74,;6.96,.75,;7.88,-.49,;7.26,-1.9,;5.73,-2.08,;5.24,-3.53,;-.49,.3,;-.49,1.84,;-1.82,-.47,;-3.13,.35,;-3.29,1.88,;-4.8,2.2,;-5.57,3.53,;-7.11,3.53,;-7.88,2.2,;-7.11,.87,;-5.57,.87,;-4.54,-.28,)|
Cc1c(nnn1-c1c(C)cccc1Cl)C(=O)Nc1nc2ccccc2s1 |(2.6,1.67,;2.27,.16,;.87,-.47,;1.03,-2,;2.53,-2.32,;3.3,-.98,;4.83,-.8,;5.48,.6,;4.55,1.83,;7.01,.74,;7.9,-.52,;7.25,-1.92,;5.72,-2.05,;5.12,-3.47,;-.49,.27,;-.49,1.81,;-1.83,-.5,;-3.15,.29,;-3.31,1.82,;-4.82,2.14,;-5.59,3.47,;-7.13,3.47,;-7.9,2.14,;-7.13,.8,;-5.59,.8,;-4.56,-.34,)|
Cc1c(nnn1-c1c(C)cccc1Br)C(=O)Nc1nc2ccccc2s1 |(2.59,1.67,;2.27,.16,;.86,-.46,;1.02,-1.99,;2.53,-2.31,;3.3,-.98,;4.82,-.76,;5.47,.63,;4.56,1.87,;7.01,.77,;7.89,-.49,;7.24,-1.89,;5.71,-2.02,;5.15,-3.46,;-.49,.27,;-.49,1.81,;-1.82,-.52,;-3.15,.25,;-3.31,1.79,;-4.81,2.11,;-5.57,3.45,;-7.11,3.46,;-7.89,2.13,;-7.13,.79,;-5.59,.78,;-4.56,-.36,)|
Cc1c(nnn1-c1cccc(C)c1C)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccccc1C)C(=O)Nc1nc2ccccc2s1
Cc1c(nnn1-c1ccc(Br)cc1C)C(=O)Nc1nc2ccccc2s1
CCc1c(nnn1-c1ccccc1F)C(=O)Nc1nc2ccccc2s1
CC(C)c1c(nnn1-c1ccccc1F)C(=O)Nc1nc2ccccc2s1
CC(C)(C)c1c(nnn1-c1ccccc1F)C(=O)Nc1nc2ccccc2s1
Fc1ccccc1-n1nnc(C(=O)Nc2nc3ccccc3s2)c1C(F)(F)F
Cc1c(nnn1-c1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1
CCc1c(nnn1-c1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1
CC(C)c1c(nnn1-c1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1
CC(C)(C)c1c(nnn1-c1ccccc1F)C(=O)Nc1nc2ccc(F)cc2s1
Fc1ccc2nc(NC(=O)c3nnn(c3C(F)(F)F)-c3ccccc3F)sc2c1
Cc1c(cnn1-c1ccccc1Br)C(=O)Nc1ncc(s1)-c1ccccc1
Cc1c(cnn1-c1ccccc1Br)C(=O)Nc1nc(cs1)-c1ccccc1
Cc1c(cnn1-c1ccccc1Br)C(=O)Nc1nc2ccccc2s1
Cc1c(cnn1-c1ccccc1C)C(=O)Nc1ccc(cn1)-c1ccccc1
Cc1c(cnn1-c1ccccc1C)C(=O)Nc1ccc(cc1)-c1ccccc1
Cc1c(cnn1-c1ccccc1C)C(=O)Nc1ncc(s1)-c1ccccc1
Cc1c(cnn1-c1ccccc1C)C(=O)Nc1nc(cs1)-c1ccccc1
Cc1c(cnn1-c1ccccc1C)C(=O)Nc1nc2ccccc2s1
Cc1c(cnn1-c1ccccc1)C(=O)Nc1nc2ccccc2s1
CCc1c(cnn1-c1ccccc1)C(=O)Nc1nc2ccccc2s1
CC(C)c1c(cnn1-c1ccccc1)C(=O)Nc1nc2ccccc2s1
CCc1ccccc1-n1ncc(C(=O)Nc2nc3ccccc3s2)c1C
COc1ccccc1-n1ncc(C(=O)Nc2nc3ccccc3s2)c1C
Cc1c(cnn1-c1ccccc1F)C(=O)Nc1nc2ccccc2s1
Cc1c(cnn1-c1ccccc1Cl)C(=O)Nc1nc2ccccc2s1
Cc1c(cnn1-c1cccc(Cl)c1F)C(=O)Nc1nc2ccccc2s1
Cc1c(cnn1-c1c(F)cccc1F)C(=O)Nc1nc2ccccc2s1 |(-2.55,-1.7,;-2.28,-.18,;-.88,.45,;-1.04,1.98,;-2.54,2.3,;-3.31,.96,;-4.85,.8,;-5.75,2.04,;-5.11,3.44,;-7.28,1.88,;-7.91,.48,;-7,-.77,;-5.47,-.61,;-4.54,-1.83,;.51,-.22,;.51,-1.76,;1.84,.55,;3.18,-.22,;3.33,-1.75,;4.83,-2.09,;5.59,-3.43,;7.13,-3.44,;7.91,-2.11,;7.15,-.77,;5.61,-.76,;4.59,.39,)|
Cc1c(cnn1-c1c(F)cccc1Br)C(=O)Nc1nc2ccccc2s1 |(-2.57,-1.73,;-2.25,-.22,;-.84,.4,;-1,1.93,;-2.51,2.25,;-3.28,.92,;-4.82,.87,;-5.59,2.2,;-4.87,3.57,;-7.13,2.2,;-7.9,.87,;-7.13,-.46,;-5.59,-.46,;-4.73,-1.74,;.49,-.37,;.49,-1.91,;1.83,.4,;3.15,-.38,;3.31,-1.91,;4.82,-2.23,;5.59,-3.57,;7.13,-3.57,;7.9,-2.23,;7.13,-.9,;5.59,-.9,;4.56,.25,)|
Cc1c(cnn1-c1ccccc1Br)C(=O)Nc1ccc2ccccc2n1