SMILES for hek293 luciferase

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1c(C)nn(C)c1C |c:9,(-1.32,1.27,;-1,.09,;.49,-.3,;1.97,.09,;3.06,-.99,;4.55,-1.39,;4.15,.09,;2.66,-2.48,;3.75,-3.57,;1.18,-2.88,;.09,-1.79,;.78,-4.37,;.38,-5.86,;.49,1.24,;1.82,2.01,;1.82,3.55,;.49,4.32,;.49,5.86,;-.85,3.55,;-.85,2.01,;-2.18,1.24,;-3.65,1.71,;-4.42,3.05,;-4.55,.47,;-3.65,-.78,;-4.42,-2.11,;-2.18,-.3,;-.85,-1.07,)|

BDBM578657

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1c(C)nn(C)c1C |c:9,(-1.48,2.18,;-.71,.85,;.83,.85,;.83,2.39,;2.16,3.16,;1.39,4.49,;2.93,4.49,;3.49,2.39,;4.83,3.16,;3.49,.85,;2.16,.08,;4.83,.08,;6.16,-.69,;.06,-.49,;.83,-1.82,;.06,-3.16,;-1.48,-3.16,;-2.25,-4.49,;-2.25,-1.82,;-1.48,-.49,;-2.25,.85,;-2.25,2.39,;-.92,3.16,;-3.72,2.86,;-4.62,1.62,;-6.16,1.62,;-3.72,.37,;-4.49,-.96,)|

BDBM578557

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cc(C)nc(C)c1 |c:9|

BDBM578662

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cc[nH]c(=O)c1 |c:9|

BDBM578637

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccc(=O)n(C)c1 |c:9|

BDBM578550

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccc(F)cc1 |c:9|

BDBM578570

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccc(nc1)C(F)(F)F |c:9|

BDBM578668

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccc2ccnn2c1 |c:9|

BDBM578667

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccc2nc(C)cn2c1 |c:9|

BDBM578690

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccc2nccn2c1 |c:9|

BDBM578677

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccc2ncnn2c1 |c:9|

BDBM578663

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cccc(=O)[nH]1 |c:9|

BDBM578555

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cccn(C)c1=O |c:9|

BDBM578559

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cccnc1C |c:9|

BDBM578693

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccn2nc(C)nc2c1 |c:9|

BDBM578658

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccn2ncnc2c1 |c:9|

BDBM578556

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccnc(C)c1 |c:9|

BDBM578562

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccnc(C)c1C |c:9|

BDBM578700

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccnc(c1)C(F)(F)F |c:9|

BDBM578672

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccnc(c1)S(=O)(=O)N(C)C |c:9|

BDBM578684

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccnnc1 |c:9|

BDBM578648

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccns1 |c:9|

BDBM578558

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cn(C)nc1C |c:9|

BDBM578694

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnc(C)c(F)c1 |c:9|

BDBM578569

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnc(C)nc1 |c:9|

BDBM50502725

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnc(C)s1 |c:9|

BDBM578675

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnc(nc1)C(F)(F)F |c:9|

BDBM578670

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnc2N(C)CCOc2c1 |c:9|

BDBM578568

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(Cl)c1 |c:9|

BDBM578564

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(F)c1 |c:9|

BDBM578687

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(OC(F)F)c1 |c:9|

BDBM578565

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(c1)C#N |c:9|

BDBM578691

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(c1)C(=O)N(C)C |c:9|

BDBM578686

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(c1)C(C)(C)C#N |c:9|

BDBM578567

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(c1)C(F)(F)F |c:9|

BDBM578696

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(c1)C1CC1 |c:9|

BDBM578685

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(c1)S(=O)(=O)C(C)C |c:9|

BDBM578574

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cncc(c1)S(C)(=O)=O |c:9|

BDBM578681

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnccc1C#N |c:9|

BDBM50502732

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(C)c1 |c:9|

BDBM578551

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(C)c1C |c:9|

BDBM578692

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(CC(F)(F)F)c1 |c:9|

BDBM578561

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(c1)-c1ccccc1 |c:9|

BDBM578552

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(c1)C1CC1 |c:9|

BDBM578563

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn(c1)C1CCCC1 |c:9|

BDBM578695

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn2CCCc12 |c:9|

BDBM578683

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnn2ccccc12 |c:9|

BDBM578674

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1cnnc(C)c1 |c:9|

BDBM578572

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1sc(C)nc1C |c:9|

BDBM50502727

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1Br |c:9|

BDBM578512

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1C |c:9|

BDBM578577

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1C#CC(C)C |c:9|

BDBM578507

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1C(F)(F)F |c:9|

BDBM578624

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1C(F)F |c:9|

BDBM578688

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1Cl |c:9|

BDBM578509

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1F |c:9|

BDBM50502728

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1OC(F)F |c:9|

BDBM578573

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1\C=C\C |c:9|

BDBM578680

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cn1 |c:9|

BDBM578676

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(cn1)C(F)(F)F |c:9|

BDBM578485

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1nccc2ccccc12 |w:2.1,c:9|

BDBM578488

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncccc1-c1ccccc1 |w:2.1,c:9|

BDBM50502729

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncccc1-c1cnn(C)c1 |c:9|

BDBM578503

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncccc1Br |w:2.1,c:9|

BDBM50502724

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncccc1C(F)(F)F |c:9|

BDBM578486

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncccc1C(F)F |c:9|

BDBM578591

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncccc1Cl |c:9|

BDBM578522

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1ncccc1OC(F)(F)F |c:9|

BDBM578520

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1nccs1 |c:9|

BDBM578527

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1sc(C)nc1C |c:9|

BDBM578515

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1sccc1C |c:9|

BDBM578524

COC1(CC(C)(C)C(=O)C(=C1)C#N)c1scnc1C |c:9|

BDBM578585

COC1(CC(C)(C)C(=O)C(C#N)=C1C)c1ncccc1Br |w:2.1,c:11|

BDBM578545

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ccc(Cl)cn1 |c:10|

BDBM578533

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1cccc(n1)-c1c(C)noc1C |c:10|

BDBM578534

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1cccc(n1)-c1ccnn1C |c:10|

BDBM578531

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1cccc(n1)-c1cnc(C)nc1 |c:10|

BDBM578532

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1cccc(n1)-c1cncnc1 |c:10|

BDBM578530

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1cccc(n1)-c1cnn(C)c1 |c:10|

BDBM578537

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ccccn1 |c:10|

BDBM578535

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1cncc(C)n1 |c:10|

BDBM578579

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1nc(C)c(s1)-c1ccccn1 |c:10|

BDBM578539

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1nc(C)cs1 |c:10|

BDBM578544

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ncc(C)s1 |c:10|

BDBM578702

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ncc(Cl)cc1C(F)F |c:10|

BDBM578541

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ncc(Cl)cc1F |c:10|

BDBM50502723

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ncc(F)cc1C(F)F |c:10|

BDBM578540

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ncc(F)cc1F |c:10|

BDBM578542

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ncc(F)cc1OC(F)F |c:10|

BDBM578538

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ncccc1C(F)(F)F |c:10|

BDBM578608

COC1(CC2(CC2)C(=O)C(=C1)C#N)c1ncccc1C(F)F |c:10|

BDBM578547

COC1(CC2(CCCC2)C(=O)C(=C1)C#N)c1ccc(F)cn1 |c:12|

BDBM578548

COC1(CC2(CCCC2)C(=O)C(=C1)C#N)c1ncc(F)cc1C |c:12|

BDBM578546

COC1(CC2(CCCC2)C(=O)C(=C1)C#N)c1ncccc1C(F)(F)F |c:12|

BDBM578489

COC1CN(C1)c1cccc(n1)C1(CC(C)(C)C(=O)C(=C1)C#N)OC |w:12.25,c:21|

BDBM578521

CO[C@]1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(C)s1 |r,c:9|

BDBM578678

CO[C@]1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(Cl)cn1 |r,c:9|

BDBM578554

CO[C@]1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccc(=O)n(C)c1 |r,c:9|

BDBM50502733

CO[C@]1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1-c1ccns1 |r,c:9|

BDBM50502734

CO[C@]1(CC(C)(C)C(=O)C(=C1)C#N)c1ncc(F)cc1C(F)F |r,c:9|

BDBM578519

CO[C@]1(CC(C)(C)C(=O)C(=C1)C#N)c1ncsc1C |r,c:9|

BDBM50502726

CO[C@]1(CC2(CC2)C(=O)C(=C1)C#N)c1ncccc1C(F)F |r,c:10|

BDBM578682

COc1cc(c(Cl)cn1)-c1cc(F)cnc1C1(CC(C)(C)C(=O)C(=C1)C#N)OC |c:25|

BDBM578596

COc1ccccc1-c1cccc(n1)C1(CC(C)(C)C(=O)C(=C1)C#N)OC |c:23|

BDBM578701

COc1cncc(c1)-c1cc(F)cnc1C1(CC(C)(C)C(=O)C(=C1)C#N)OC |c:24|

BDBM578698

COc1ncc(C)cc1-c1cc(F)cnc1C1(CC(C)(C)C(=O)C(=C1)C#N)OC |c:25|