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52 SMILES Strings for Androgen receptor (AR)

Compound NameSMILES String
BDBM245145 Fc1ccc(cc1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:14.18,wD:11.11,(8.67,.77,;7.34,1.54,;6,.77,;4.67,1.54,;4.67,3.08,;6,3.85,;7.34,3.08,;3.33,3.85,;3.33,5.39,;2,3.08,;.67,3.85,;-.67,3.08,;-2,3.85,;-3.33,3.08,;-3.33,1.54,;-2,.77,;-.67,1.54,;-4.67,.77,;-4.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-4.67,-3.85,;-6,-3.08,;-7.34,-3.85,;-7.34,-5.39,;-8.67,-3.08,;-8.67,-1.54,;-7.34,-.77,;-6,-1.54,)|
BDBM245146 Cc1cc(no1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:12.16,wD:9.9,(6.38,7.45,;5.61,6.12,;4.15,5.64,;4.15,4.1,;5.61,3.62,;6.52,4.87,;2.82,3.33,;1.48,4.1,;2.82,1.79,;1.48,1.02,;.15,1.79,;-1.18,1.02,;-1.18,-.52,;.15,-1.29,;1.48,-.52,;-2.52,-1.29,;-2.52,-2.83,;-1.18,-3.6,;-1.18,-5.14,;-2.52,-5.91,;-3.85,-5.14,;-5.19,-5.91,;-5.19,-7.45,;-6.52,-5.14,;-6.52,-3.6,;-5.19,-2.83,;-3.85,-3.6,)|
BDBM245147 Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8,5,;6.67,4.23,;5.33,5,;4,4.23,;4,2.69,;5.33,1.93,;6.67,2.69,;8,1.93,;2.67,1.93,;2.67,.39,;1.33,2.69,;,1.93,;-1.33,2.69,;-2.67,1.93,;-2.67,.38,;-1.33,-.38,;,.38,;-4,-.38,;-4,-1.93,;-2.67,-2.69,;-2.67,-4.23,;-4,-5,;-5.33,-4.23,;-6.67,-5,;-8,-4.23,;-8,-2.69,;-6.67,-1.93,;-5.33,-2.69,)|
BDBM245148 Cc1nocc1C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:13.17,wD:10.10,(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;.15,3.08,;-1.18,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,.77,;.15,1.54,;-3.85,.77,;-3.85,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-6.52,-5.39,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,)|
BDBM245149 Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccno4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
BDBM245150 Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
BDBM245151 Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:13.17,wD:10.10,(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;4.71,1.54,;6.18,1.06,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;-.62,3.08,;-1.95,3.85,;-3.29,3.08,;-3.29,1.54,;-1.95,.77,;-.62,1.54,;-4.62,.77,;-4.62,-.77,;-3.29,-1.54,;-3.29,-3.08,;-4.62,-3.85,;-5.96,-3.08,;-7.29,-3.85,;-7.29,-5.39,;-8.62,-3.08,;-8.62,-1.54,;-7.29,-.77,;-5.96,-1.54,)|
BDBM245152 Fc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4cc[nH]n4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
BDBM245153 Fc1ccc(cc1F)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:15.19,wD:12.12,(8.67,,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;7.34,2.31,;8.67,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
BDBM245154 Fc1cccc(c1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:14.18,wD:11.11,(8.67,3.08,;7.34,2.31,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
BDBM245155 Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:13.17,wD:10.10,(8.62,1.54,;7.08,1.54,;6.18,2.79,;4.71,2.31,;4.71,.77,;6.18,.29,;3.38,3.08,;3.38,4.62,;2.05,2.31,;.71,3.08,;-.62,2.31,;-1.95,3.08,;-3.29,2.31,;-3.29,.77,;-1.95,,;-.62,.77,;-4.62,,;-4.62,-1.54,;-3.29,-2.31,;-3.29,-3.85,;-4.62,-4.62,;-5.96,-3.85,;-7.29,-4.62,;-8.62,-3.85,;-8.62,-2.31,;-7.29,-1.54,;-5.96,-2.31,)|
BDBM245156 Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(5.33,7.7,;5.33,6.16,;6.67,5.39,;6.67,3.85,;5.33,3.08,;4,3.85,;4,5.39,;2.67,3.08,;1.33,3.85,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.39,;-2.67,-6.16,;-4,-5.39,;-5.33,-6.16,;-5.33,-7.7,;-6.67,-5.39,;-6.67,-3.85,;-5.33,-3.08,;-4,-3.85,)|
BDBM245157 Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.16,;6,5.39,;6,3.85,;4.67,3.08,;3.33,3.85,;3.33,5.39,;4.67,6.16,;4.67,7.7,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-6,-7.7,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|
BDBM245158 Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.16,;6,5.39,;6,3.85,;4.67,3.08,;3.33,3.85,;3.33,5.39,;4.67,6.16,;4.67,7.7,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-6,-7.7,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|
BDBM245159 Brc1cccc2c(O[C@H]3CC[C@@H](CC3)NC(=O)c3ccc(cc3)C#N)ccnc12 |r,wU:8.7,wD:11.14,(-6.67,-7.31,;-6.67,-5.78,;-8,-5,;-8,-3.47,;-6.67,-2.69,;-5.33,-3.47,;-4,-2.69,;-4,-1.15,;-2.67,-.38,;-2.67,1.15,;-1.33,1.93,;,1.15,;,-.38,;-1.33,-1.15,;1.33,1.93,;1.33,3.47,;,4.23,;2.67,4.23,;4,3.47,;5.33,4.23,;5.38,5.8,;4,6.54,;2.67,5.78,;6.72,6.57,;8.05,7.34,;-2.67,-3.47,;-2.67,-5,;-4,-5.78,;-5.33,-5,)|
BDBM245160 Fc1cc(ccc1C(F)(F)F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:17.21,wD:14.14,(4,7.7,;4,6.16,;2.67,5.39,;2.67,3.85,;4,3.08,;5.33,3.85,;5.38,5.42,;6.72,6.19,;8.05,6.96,;7.49,4.85,;5.95,7.52,;1.33,3.08,;,3.85,;1.33,1.54,;,.77,;-1.33,1.54,;-2.67,.77,;-2.67,-.77,;-1.33,-1.54,;,-.77,;-4,-1.54,;-4,-3.08,;-2.67,-3.85,;-2.67,-5.39,;-4,-6.16,;-5.33,-5.39,;-6.67,-6.16,;-6.67,-7.7,;-8,-5.39,;-8,-3.85,;-6.67,-3.08,;-5.33,-3.85,)|
BDBM245161 Fc1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-6,-6.93,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,)|
BDBM245162 Fc1ccc(cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;4.67,6.93,;3.33,6.16,;3.33,4.62,;4.67,3.85,;6,4.62,;7.34,3.85,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-6,-6.93,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,)|
BDBM245163 Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:13.17,wD:10.10,(7.34,3.08,;6,3.85,;6,5.39,;4.67,6.16,;3.33,5.39,;3.33,3.85,;4.67,3.08,;2,3.08,;.67,3.85,;2,1.54,;.67,.77,;-.67,1.54,;-2,.77,;-2,-.77,;-.67,-1.54,;.67,-.77,;-3.33,-1.54,;-3.33,-3.08,;-2,-3.85,;-2,-5.39,;-3.33,-6.16,;-4.67,-5.39,;-6,-6.16,;-7.34,-5.39,;-7.34,-3.85,;-6,-3.08,;-4.67,-3.85,)|
BDBM245164 Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;4.71,1.54,;6.18,1.06,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;-.62,3.08,;-1.95,3.85,;-3.29,3.08,;-3.29,1.54,;-1.95,.77,;-.62,1.54,;-4.62,.77,;-4.62,-.77,;-3.29,-1.54,;-3.29,-3.08,;-4.62,-3.85,;-5.96,-3.08,;-7.29,-3.85,;-7.29,-5.39,;-8.62,-3.08,;-8.62,-1.54,;-7.29,-.77,;-5.96,-1.54,)|
BDBM245165 Brc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccon4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
BDBM245166 O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12)c1ccc(cc1)C#N |r,wU:7.10,wD:4.3,(2.67,4.62,;2.67,3.08,;1.33,2.31,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-5.33,-4.62,;-6.67,-3.85,;-8,-4.62,;-9.34,-3.85,;-9.34,-2.31,;-8,-1.54,;-6.67,-2.31,;4,2.31,;4,.77,;5.33,,;6.72,.74,;6.67,2.31,;5.33,3.08,;8.05,-.03,;9.38,-.8,)|
BDBM245167 Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(5.33,8.47,;5.33,6.93,;6.67,6.16,;6.67,4.62,;5.33,3.85,;4,4.62,;4,6.16,;2.67,3.85,;1.33,4.62,;2.67,2.31,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;-2.67,-.77,;-2.67,-2.31,;-1.33,-3.08,;-1.33,-4.62,;-2.67,-5.39,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-5.33,-6.93,;-5.33,-8.47,)|
BDBM245168 Fc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
BDBM245169 Fc1ccc(cc1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(7.34,7.7,;6,6.93,;6,5.39,;4.67,4.62,;3.33,5.39,;3.33,6.93,;4.67,7.7,;2,4.62,;.67,5.39,;2,3.08,;.67,2.31,;-.67,3.08,;-2,2.31,;-2,.77,;-.67,,;.67,.77,;-3.33,,;-3.33,-1.54,;-2,-2.31,;-2,-3.85,;-3.33,-4.62,;-4.67,-3.85,;-6,-4.62,;-7.34,-3.85,;-7.34,-2.31,;-6,-1.54,;-4.67,-2.31,;-6,-6.16,;-6,-7.7,)|
BDBM245170 Cc1cc(no1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:12.16,wD:9.9,(6.38,8.22,;5.61,6.89,;4.15,6.41,;4.15,4.87,;5.61,4.39,;6.52,5.64,;2.82,4.1,;1.48,4.87,;2.82,2.56,;1.48,1.79,;.15,2.56,;-1.18,1.79,;-1.18,.25,;.15,-.52,;1.48,.25,;-2.52,-.52,;-2.52,-2.06,;-1.18,-2.83,;-1.18,-4.37,;-2.52,-5.14,;-3.85,-4.37,;-5.19,-5.14,;-6.52,-4.37,;-6.52,-2.83,;-5.19,-2.06,;-3.85,-2.83,;-5.19,-6.68,;-5.19,-8.22,)|
BDBM245171 Fc1ccc(cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
BDBM245172 Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
BDBM245173 Fc1cc(ccc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(4.67,8.47,;4.67,6.93,;3.33,6.16,;3.33,4.62,;4.67,3.85,;6,4.62,;6,6.16,;7.34,6.93,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
BDBM245174 Fc1cc(F)cc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(4.67,8.47,;4.67,6.93,;6,6.16,;6,4.62,;7.34,3.85,;4.67,3.85,;3.33,4.62,;3.33,6.16,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
BDBM245175 O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N)c1ccon1 |r,wU:7.10,wD:4.3,(4.15,6.16,;4.15,4.62,;2.82,3.85,;1.48,4.62,;.15,3.85,;-1.18,4.62,;-2.52,3.85,;-2.52,2.31,;-1.18,1.54,;.15,2.31,;-3.85,1.54,;-3.85,,;-2.52,-.77,;-2.52,-2.31,;-3.85,-3.08,;-5.19,-2.31,;-6.52,-3.08,;-7.85,-2.31,;-7.85,-.77,;-6.52,,;-5.19,-.77,;-6.52,-4.62,;-6.52,-6.16,;5.48,3.85,;6.95,4.33,;7.85,3.08,;6.95,1.83,;5.48,2.31,)|
BDBM245176 Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(8.62,3.08,;7.08,3.08,;6.18,4.33,;4.71,3.85,;4.71,2.31,;6.18,1.83,;3.38,4.62,;3.38,6.16,;2.05,3.85,;.71,4.62,;-.62,3.85,;-1.95,4.62,;-3.29,3.85,;-3.29,2.31,;-1.95,1.54,;-.62,2.31,;-4.62,1.54,;-4.62,,;-3.29,-.77,;-3.29,-2.31,;-4.62,-3.08,;-5.96,-2.31,;-7.29,-3.08,;-8.62,-2.31,;-8.62,-.77,;-7.29,,;-5.96,-.77,;-7.29,-4.62,;-7.29,-6.16,)|
BDBM309972 Clc1ccc(cc1Cl)-c1ccc(CCNC(=O)c2cc(n[nH]2)C(=O)N2CCOCC2)o1
BDBM309973 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(C)c1)NC(=O)c1cc(n[nH]1)-c1ccco1
BDBM309976 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)=O
BDBM309978 O=C(NCCn1ccc(n1)-c1ccc(C#N)c(c1)C#N)c1cc(n[nH]1)-c1cccnc1
BDBM309979 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)O
BDBM309980 Cc1cc(ccc1C#N)-c1ccn(CCNC(=O)c2cc(n[nH]2)-c2cccnc2)n1
BDBM309981 CCc1noc(n1)C(=O)N[C@@H](C)Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1
BDBM309982 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc([nH]n1)-c1csc(C)n1
BDBM309983 CC[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(n[nH]1)C(C)O
BDBM309985 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1cc(on1)C(C)O
BDBM309986 C[C@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)N1CCOCC1
BDBM309987 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1C)NC(=O)c1csc(n1)C(C)O
BDBM309988 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1csc(n1)-c1cn[nH]c1
BDBM309989 C[C@@H](CNC(=O)c1cc(n[nH]1)C(C)=O)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1
BDBM309990 C[C@H](CNC(=O)c1csc(CC#N)n1)n1ccc(n1)-c1cc(F)c(C#N)c(F)c1
BDBM309991 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
BDBM309992 C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1c[nH]c(C)n1
BDBM309993 C[C@@H](Cn1ccc(n1)-c1cc(F)c(C#N)c(Cl)c1)NC(=O)c1cn2cccnc2n1
BDBM309994 CC(O)(CS(=O)(=O)c1ccc(F)cc1)[c](=O):c:n-c1ccc(C#N)c(c1)C(F)(F)F
BDBM309995 C[C@@H](Cn1ccc(n1)-c1ccc(C#N)c(Cl)c1)NC(=O)c1[nH]nc2CCOCc12