mbtA

Reference Set (88 Compounds)

Nc1nc(-c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000044351971

ZINC000044351971 (search)

CCCCCCc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000044306072

ZINC000044306072 (search)

Nc1nc(-n2cc(C3CCCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000042804738

ZINC000042804738 (search)

Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000044305293

ZINC000044305293 (search)

CCCCCCCc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000058534902

ZINC000058534902 (search)

Nc1nc(-n2cc(C3CC3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000044307150

ZINC000044307150 (search)

Cc1ccc(-c2cn(-c3nc(N)c4ncn([C@@H]5O[C@H](COS(=O)(=O)NC(=O)c6ccccc6O)[C@@H](O)[C@H]5O)c4n3)nn2)cc1 ZINC000058568420

ZINC000058568420 (search)

Nc1nc(-n2cc(C3CCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000044351448

ZINC000044351448 (search)

Nc1nc(-n2cc(-c3cccc(O)c3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000058569400

ZINC000058569400 (search)

Cc1ccccc1-c1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000058581615

ZINC000058581615 (search)

CCCCCc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000042833976

ZINC000042833976 (search)

Nc1nc(-n2cc(-c3ccc(O)cc3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000058512426

ZINC000058512426 (search)

Nc1cccc(-c2cn(-c3nc(N)c4ncn([C@@H]5O[C@H](COS(=O)(=O)NC(=O)c6ccccc6O)[C@@H](O)[C@H]5O)c4n3)nn2)c1 ZINC000058576342

ZINC000058576342 (search)

Nc1ccccc1-c1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000058576276

ZINC000058576276 (search)

Nc1nc(-n2cc(-c3cccnc3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000042808596

ZINC000042808596 (search)

Nc1ccc(-c2cn(-c3nc(N)c4ncn([C@@H]5O[C@H](COS(=O)(=O)NC(=O)c6ccccc6O)[C@@H](O)[C@H]5O)c4n3)nn2)cc1 ZINC000058538092

ZINC000058538092 (search)

Nc1nc(-n2cc(CO)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000053242954

ZINC000053242954 (search)

Nc1nc(Nc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000053246821

ZINC000053246821 (search)

Nc1nc(-n2cc(-c3ccccn3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000042835317

ZINC000042835317 (search)

Cc1cccc(-c2cn(-c3nc(N)c4ncn([C@@H]5O[C@H](COS(=O)(=O)NC(=O)c6ccccc6O)[C@@H](O)[C@H]5O)c4n3)nn2)c1 ZINC000058538135

ZINC000058538135 (search)

CC(C)(C)c1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000044350947

ZINC000044350947 (search)

Nc1nc(-c2ccc(-c3ccccc3)cc2)nc2c1[nH]c[n+]2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377814549

ZINC000377814549 (search)

Nc1nc(-n2cc(-c3ccccc3O)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000058568766

ZINC000058568766 (search)

CCCCCCCCc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000058511826

ZINC000058511826 (search)

CC(C)Cc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000044360370

ZINC000044360370 (search)

Nc1nc(-c2cccc(-c3ccccc3)c2)nc2c1[nH]c[n+]2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377836298

ZINC000377836298 (search)

Nc1nc(-n2cc(-c3ccncc3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000042835717

ZINC000042835717 (search)

Nc1nc(-n2cc(C3=CCCCC3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000042834390

ZINC000042834390 (search)

CCCc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000042851479

ZINC000042851479 (search)

CNc1ncnc2c1[nH]c[n+]2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377815063

ZINC000377815063 (search)

O=C(NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC4CC4)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1O ZINC000040379027

ZINC000040379027 (search)

CCCCc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000044281330

ZINC000044281330 (search)

Nc1ncnc2c1ncn2[C@@H]1C[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000035079661

ZINC000035079661 (search)

Nc1ncnc2ncn([C@@H]3C[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 ZINC000028604427

ZINC000028604427 (search)

CCCCCCCCCCCCc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000058519942

ZINC000058519942 (search)

Nc1nc(I)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000042878155

ZINC000042878155 (search)

COC(=O)c1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000044351304

ZINC000044351304 (search)

CCOC(=O)c1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000042833944

ZINC000042833944 (search)

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COS(=O)(=O)NC(=O)c2ccccc2O)O1 ZINC000035079663

ZINC000035079663 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)C[C@H]1O ZINC000035079673

ZINC000035079673 (search)

Nc1ncnc2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)C[C@H]3O)c12 ZINC000028604534

ZINC000028604534 (search)

Nc1nc(-n2cc(-c3ccccc3)nn2)nc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000044430764

ZINC000044430764 (search)

CCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000040860699

ZINC000040860699 (search)

Nc1ncnc2ncn([C@H]3C[C@H](O)[C@@H](COS(=O)(=O)NC(=O)c4ccccc4O)O3)c12 ZINC000028604533

ZINC000028604533 (search)

Nc1ncnc2ncn([C@@H]3O[C@H](CNS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 ZINC000040576330

ZINC000040576330 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000028567060

ZINC000028567060 (search)

CCNc1ncnc2c1[nH]c[n+]2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377815077

ZINC000377815077 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000028567519

ZINC000028567519 (search)

[N-]=[N+]=Nc1nc(N)c2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c2n1 ZINC000040834732

ZINC000040834732 (search)

CCCCCCCCCCc1cn(-c2nc(N)c3ncn([C@@H]4O[C@H](COS(=O)(=O)NC(=O)c5ccccc5O)[C@@H](O)[C@H]4O)c3n2)nn1 ZINC000058506765

ZINC000058506765 (search)

Nc1ncnc2ncn([C@@H]3O[C@H](COS(=O)(=O)NC(=O)c4ccccc4O)[C@@H](O)[C@H]3O)c12 ZINC000040576844

ZINC000040576844 (search)

CC(C)Nc1ncnc2c1[nH]c[n+]2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377813292

ZINC000377813292 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2c(O)cccc2F)[C@@H](O)[C@H]1O ZINC000028865808

ZINC000028865808 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(Cl)cc2O)[C@@H](O)[C@H]1O ZINC000028865775

ZINC000028865775 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(F)cc2O)[C@@H](O)[C@H]1O ZINC000028865786

ZINC000028865786 (search)

Cc1ccc(C(=O)NS(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(O)c1 ZINC000028865796

ZINC000028865796 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cc(Cl)ccc2O)[C@@H](O)[C@H]1O ZINC000028865782

ZINC000028865782 (search)

Nc1cccc2c1ccn2[C@@H]1C[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000040848997

ZINC000040848997 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(Br)cc2O)[C@@H](O)[C@H]1O ZINC000028865793

ZINC000028865793 (search)

Nc1ncnc2c1ccn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000040380057

ZINC000040380057 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2F)[C@@H](O)[C@H]1O ZINC000028865764

ZINC000028865764 (search)

Nc1ccc(C(=O)NS(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(O)c1 ZINC000028865805

ZINC000028865805 (search)

Nc1nc(-c2ccccc2-c2ccccc2)nc2c1[nH]c[n+]2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377814550

ZINC000377814550 (search)

Nc1ncnc2c1ncn2[C@H]1CC[C@@H](COS(=O)(=O)NC(=O)c2ccccc2O)C1 ZINC000035079668

ZINC000035079668 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccc(Cl)c2O)[C@@H](O)[C@H]1O ZINC000028865772

ZINC000028865772 (search)

Nc1ncnc2ncn([C@H]3CC[C@@H](COS(=O)(=O)NC(=O)c4ccccc4O)C3)c12 ZINC000040764368

ZINC000040764368 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2)[C@@H](O)[C@H]1O ZINC000028567174

ZINC000028567174 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(=O)(=O)c2c[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O ZINC000205892252

ZINC000205892252 (search)

O=C(NS(=O)(=O)OC[C@H]1O[C@@H]([n+]2c[nH]c3c(NC4CCC4)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1O ZINC000377813070

ZINC000377813070 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccc(O)c2O)[C@@H](O)[C@H]1O ZINC000028865812

ZINC000028865812 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccnc2Cl)[C@@H](O)[C@H]1O ZINC000028865824

ZINC000028865824 (search)

CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000040833981

ZINC000040833981 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NCc2ccccc2O)[C@@H](O)[C@H]1O ZINC000028566441

ZINC000028566441 (search)

Nc1ccccc1C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000028567172

ZINC000028567172 (search)

Nc1ncnc2c1ncn2[C@H]1C=C[C@@H](COS(=O)(=O)NC(=O)c2ccccc2O)C1 ZINC000035079665

ZINC000035079665 (search)

O=C(NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)[C@H](O)[C@@H]1O)c1ccccc1O ZINC000040861048

ZINC000040861048 (search)

Nc1ncnc2ncn([C@H]3C=C[C@@H](COS(=O)(=O)NC(=O)c4ccccc4O)C3)c12 ZINC000040764364

ZINC000040764364 (search)

CC(C)CNc1ncnc2c1[nH]c[n+]2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000377812590

ZINC000377812590 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000028866076

ZINC000028866076 (search)

Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000053244066

ZINC000053244066 (search)

COC(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O ZINC000028865843

ZINC000028865843 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2cccnc2F)[C@@H](O)[C@H]1O ZINC000028865821

ZINC000028865821 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)CC(=O)c2ccccc2O)[C@@H](O)[C@H]1O ZINC000040861083

ZINC000040861083 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc[nH]c2=O)[C@@H](O)[C@H]1O ZINC000028865818

ZINC000028865818 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccc(C(F)(F)F)cc2O)[C@@H](O)[C@H]1O ZINC000028865801

ZINC000028865801 (search)

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)c2ccccc2[N+](=O)[O-])[C@@H](O)[C@H]1O ZINC000028865770

ZINC000028865770 (search)

O=C(NS(=O)(=O)OC[C@H]1O[C@@H]([n+]2c[nH]c3c(NCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1O ZINC000377811553

ZINC000377811553 (search)

O=C(NS(=O)(=O)OC[C@H]1O[C@@H]([n+]2c[nH]c3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O)c1ccccc1O ZINC000377811498

ZINC000377811498 (search)