SMILES for Lipopolysaccharide-induced tumor necrosis factor-alpha factor

CCn1c(=O)n(C2CCC(C)CC2)c2c3cccc(OC)c3ncc2c1=O |(5.33,1.93,;4,2.69,;2.67,1.92,;1.33,2.69,;1.33,4.23,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5,;-4,4.23,;-5.33,5,;-4,2.69,;-2.67,1.93,;,.38,;-1.33,-.39,;-2.67,.38,;-4,-.39,;-4,-1.93,;-2.67,-2.7,;-2.67,-4.23,;-4,-5,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;2.67,.38,;4,-.39,)|

BDBM235320

CCOC(=O)Cn1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O

BDBM235321

CCn1c(=O)n(CCCF)c2c3cccc(OC)c3ncc2c1=O

BDBM235322

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(C)c1=O

BDBM135815

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cc(C)cs2)c1=O

BDBM135816

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(C)c2)c1=O

BDBM235327

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc(C)cc2)c1=O

BDBM235344

COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;1.33,.38,;2.67,-.38,)|

BDBM235345

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235347

CCc1cccc(c1)-n1c(=O)n(C2CCCC2)c2c3cccc(OC)c3ncc2c1=O

BDBM235350

COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2cccc(C)c2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;2.67,4.23,;4,5,;5.33,4.23,;5.33,2.69,;6.67,1.93,;4,1.93,;1.33,.38,;2.67,-.38,)|

BDBM235355

CCCCn1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(C)c2)c1=O

BDBM135817

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O

BDBM235358

COc1cccc2c1ncc1c2n(C2CCC(F)(F)CC2)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235359

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235360

COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235361

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(C)=O)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235362

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM135818

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235363

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235364

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)N(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235365

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)c2ccccc2)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235366

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(=O)(=O)C2CCS(=O)(=O)C2)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235367

CCNC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235368

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)NC(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235369

COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccccc2Cl)c1=O |(-4.67,-5,;-3.33,-4.23,;-3.33,-2.69,;-4.67,-1.93,;-4.67,-.38,;-3.33,.38,;-2,-.38,;-2,-1.93,;-.67,-2.69,;.67,-1.93,;.67,-.38,;-.67,.38,;-.67,1.93,;-2,2.69,;-2,4.23,;-3.33,5,;-4.67,4.23,;-6,5,;-4.67,2.69,;-3.33,1.93,;.67,2.69,;.67,4.23,;2,1.93,;3.33,2.69,;3.33,4.23,;4.67,5,;6,4.23,;6,2.69,;4.67,1.93,;4.67,.38,;2,.38,;3.33,-.38,)|

BDBM235370

COc1cccc2c1ncc1c2n(C2CCC(C)CC2)c(=O)n(-c2ccc(Cl)cc2)c1=O |(-5.33,-5,;-4,-4.23,;-4,-2.69,;-5.33,-1.93,;-5.33,-.38,;-4,.38,;-2.67,-.38,;-2.67,-1.93,;-1.33,-2.69,;,-1.93,;,-.38,;-1.33,.38,;-1.33,1.93,;-2.67,2.69,;-2.67,4.23,;-4,5,;-5.33,4.23,;-6.67,5,;-5.33,2.69,;-4,1.93,;,2.69,;,4.23,;1.33,1.93,;2.67,2.69,;4,1.93,;5.33,2.69,;5.33,4.23,;6.67,5,;4,5,;2.67,4.23,;1.33,.38,;2.67,-.38,)|

BDBM135819

COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)C(O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4.67,-5.78,;-3.33,-5,;-3.33,-3.47,;-4.67,-2.69,;-4.67,-1.15,;-3.33,-.38,;-2,-1.15,;-2,-2.69,;-.67,-3.47,;.67,-2.69,;.67,-1.15,;-.67,-.38,;-.67,1.15,;-2,1.93,;-2,3.47,;-3.33,4.23,;-4.67,3.47,;-4.67,1.93,;-3.33,1.15,;-6,4.23,;-7.34,3.47,;-6,5.78,;.67,1.93,;.67,3.47,;2,1.15,;3.33,1.93,;3.33,3.47,;4.67,4.23,;6,3.47,;6,1.93,;7.34,1.15,;4.67,1.15,;2,-.38,;3.33,-1.15,)|

BDBM235374

COc1cccc2c1ncc1c2n(C2CCCCC2)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235375

COc1cccc2c1ncc1c2n(C2CCN(CC2)C(=O)OC(C)(C)C)c(=O)n(-c2ccc3OCOc3c2)c1=O

BDBM235376

COc1cccc2c1ncc1c2n(C2CCNCC2)c(=O)n(-c2ccc3OCOc3c2)c1=O

BDBM235377

COc1cccc2c1ncc1c2n(C2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2ccc3OCOc3c2)c1=O

BDBM235378

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(c2)C#N)c1=O

BDBM235379

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(SC)c2)c1=O

BDBM235380

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2cccc(c2)S(C)(=O)=O)c1=O

BDBM235381

COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

BDBM235382

COc1cccc2c1ncc1c2n([C@@H]2CCNC2)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

BDBM135820

COc1cccc2c1ncc1c2n([C@@H]2CCN(C2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

BDBM235383

COc1cccc2c1ncc1c2n([C@H]2CCN(C2)C(=O)OC(C)(C)C)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

BDBM235384

COc1cccc2c1ncc1c2n([C@H]2CCNC2)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

BDBM135821

COc1cccc2c1ncc1c2n([C@H]2CCN(C2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r|

BDBM235386

COc1cccc2c1ncc1c2n(C2CCCC2)c(=O)n(-c2ccc3OCCOc3c2)c1=O

BDBM235388

COC(=O)N1CCC(CC1)n1c2c3cccc(OC)c3ncc2c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM235390

COc1cccc2c1ncc1c2n(CC2CCN(CC2)S(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O

BDBM135824

COc1cccc2c1ncc1c2n(C2CC[C@@H](CC2)NS(C)(=O)=O)c(=O)n(-c2cccc(Cl)c2)c1=O |r,wU:16.21,(-4,-5.01,;-2.67,-4.24,;-2.67,-2.7,;-4,-1.93,;-4,-.39,;-2.67,.38,;-1.33,-.39,;-1.33,-1.93,;,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;,1.92,;-1.33,2.69,;-1.33,4.23,;-2.67,5.01,;-4,4.23,;-4,2.69,;-2.67,1.92,;-5.33,5,;-6.67,4.23,;-8,5,;-7.44,2.9,;-5.9,2.9,;1.33,2.69,;1.33,4.23,;2.67,1.92,;4,2.69,;4,4.23,;5.33,5,;6.67,4.23,;6.67,2.69,;8,1.92,;5.33,1.92,;2.67,.38,;4,-.39,)|

BDBM86694

ONC=Nc1ccc(N2CCOCC2)c(Cl)c1 |w:3.3|