Reference Set (128 Compounds)

CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO ZINC000003918138

ZINC000003918138 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@](C)(CCC)OC ZINC000004847127

ZINC000004847127 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H]1CCC=CCO1 ZINC000029040260

ZINC000029040260 (search)

C=C[C@H](OC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040246

ZINC000029040246 (search)

C=CC[C@H](OC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040251

ZINC000029040251 (search)

CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 ZINC000003929508

ZINC000003929508 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@](C)(O)CCC ZINC000029040262

ZINC000029040262 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CCC ZINC000029040230

ZINC000029040230 (search)

C=CC[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040234

ZINC000029040234 (search)

C=C[C@H](O)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040227

ZINC000029040227 (search)

CCC(CC)[C@H](NC(C)=O)[C@@H]1C[C@@H](C(=O)O)C[C@H]1NC(=N)N ZINC000003588277

ZINC000003588277 (search)

CC(=O)Nc1ccc(C(=O)O)cc1NC(=N)N ZINC000000006507

ZINC000000006507 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CC ZINC000029040224

ZINC000029040224 (search)

C=C[C@H](OCC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040248

ZINC000029040248 (search)

CCC(CC)[C@H](NC(C)=O)[C@@H]1[C@H](O)[C@@H](C(=O)O)C[C@H]1NC(=N)N ZINC000003981610

ZINC000003981610 (search)

CC(=O)N[C@@H]1[C@@H]([C@@H](O)[C@@H](O)CO)OC(C(=O)O)=C[C@H]1N=C(N)N ZINC000029551048

ZINC000029551048 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@H](C)O ZINC000029040221

ZINC000029040221 (search)

C=CCO[C@@H](C=C)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040250

ZINC000029040250 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@H]1CC=CCO1 ZINC000029040256

ZINC000029040256 (search)

C=CC[C@H](OCC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040253

ZINC000029040253 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](O)CCCC ZINC000029040238

ZINC000029040238 (search)

C=CCO[C@@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040254

ZINC000029040254 (search)

C=C[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040225

ZINC000029040225 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H]1CC=CCO1 ZINC000029040258

ZINC000029040258 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@H](O)CCC ZINC000029040228

ZINC000029040228 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@H](O)CC ZINC000029040222

ZINC000029040222 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(C)C)NC(C)=O ZINC000013645231

ZINC000013645231 (search)

CC(=O)N[C@@H]1C[C@@H](F)[C@](F)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO ZINC000068203667

ZINC000068203667 (search)

C=CC[C@@H](OC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040240

ZINC000029040240 (search)

CCCC[C@H](NC(C)=O)[C@@H]1C[C@@H](C(=O)O)C[C@H]1N=C(N)N ZINC000013558596

ZINC000013558596 (search)

C=CC[C@@H](OCC)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040242

ZINC000029040242 (search)

C=CC[C@@H](O)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040232

ZINC000029040232 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@@H](C)O ZINC000029040219

ZINC000029040219 (search)

C/C=C\[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@@H](NC(C)=O)[C@H](O)CCCC ZINC000029040236

ZINC000029040236 (search)

C=CCO[C@H](CC=C)[C@H](NC(C)=O)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\C ZINC000029040244

ZINC000029040244 (search)

CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@](F)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO ZINC000068203664

ZINC000068203664 (search)

CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N1[C@H](C)CC[C@H]1C ZINC000013778730

ZINC000013778730 (search)

CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO ZINC000005884083

ZINC000005884083 (search)

CCN(CC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000006381741

ZINC000006381741 (search)

CCCC[C@@H](NC(C)=O)[C@@H]1C[C@@H](C(=O)O)C[C@H]1N=C(N)N ZINC000013558595

ZINC000013558595 (search)

CCCN(C)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O ZINC000006380100

ZINC000006380100 (search)

CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000003826222

ZINC000003826222 (search)

CCCC[C@H](NC(C)=O)[C@@H]1C[C@H](C(=O)O)C[C@H]1N=C(N)N ZINC000013558597

ZINC000013558597 (search)

N=C(N)Nc1cc(C(=O)O)ccc1N1C(=O)CCC1(CO)CO ZINC000002047890

ZINC000002047890 (search)

C=CCN(CC=C)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778740

ZINC000013778740 (search)

CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000003929021

ZINC000003929021 (search)

N=C(N)Nc1cc(C(=O)O)ccc1N1C(=O)CC[C@H]1CO ZINC000003597307

ZINC000003597307 (search)

CC(=O)N[C@@H]1[C@@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@H]1O ZINC000003870798

ZINC000003870798 (search)

CC[C@H](C)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004134486

ZINC000004134486 (search)

C=CC[C@H](CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004134490

ZINC000004134490 (search)

CCCCCCC[C@H](CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004646294

ZINC000004646294 (search)

CC[C@@H](C)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000006411782

ZINC000006411782 (search)

C=CC[C@@H](CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004134489

ZINC000004134489 (search)

CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000008552722

ZINC000008552722 (search)

COC(=O)[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(C)C)NC(C)=O ZINC000005962782

ZINC000005962782 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1cc[nH]n1 ZINC000013645218

ZINC000013645218 (search)

CCCN(CCC)[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000014944910

ZINC000014944910 (search)

CCC(CC)N(C)[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000053164194

ZINC000053164194 (search)

CCCN(C)[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000014944904

ZINC000014944904 (search)

CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000003833965

ZINC000003833965 (search)

CCC(CC)O[C@@H]1C(F)=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004134498

ZINC000004134498 (search)

CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)C(F)(F)F ZINC000003933030

ZINC000003933030 (search)

CCC(CC)N[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000052986900

ZINC000052986900 (search)

CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1OC1CCCCC1 ZINC000012404506

ZINC000012404506 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C\Cl ZINC000013645240

ZINC000013645240 (search)

CCCCN(CC)[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000014944909

ZINC000014944909 (search)

CCO[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004134482

ZINC000004134482 (search)

CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)C(F)(F)F ZINC000003933032

ZINC000003933032 (search)

CCCCO[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004134484

ZINC000004134484 (search)

C/C=C/[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(C)C)NC(C)=O ZINC000013645225

ZINC000013645225 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ccon1 ZINC000013645221

ZINC000013645221 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ccno1 ZINC000028477547

ZINC000028477547 (search)

CCCN[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000014944911

ZINC000014944911 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1C=C(C)C ZINC000013645234

ZINC000013645234 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1nccs1 ZINC000013645212

ZINC000013645212 (search)

CCCN(CC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778746

ZINC000013778746 (search)

C=C[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(C)C)NC(C)=O ZINC000013645228

ZINC000013645228 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1cscn1 ZINC000003981685

ZINC000003981685 (search)

CCN(CC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O ZINC000013778743

ZINC000013778743 (search)

CCC(=O)N[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000014944912

ZINC000014944912 (search)

CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O ZINC000013778742

ZINC000013778742 (search)

CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1N(C)CCc1ccccc1 ZINC000014944906

ZINC000014944906 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1cnc[nH]1 ZINC000008566803

ZINC000008566803 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1C=C(F)F ZINC000013645237

ZINC000013645237 (search)

CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O ZINC000013778752

ZINC000013778752 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1c1ncc[nH]1 ZINC000013645215

ZINC000013645215 (search)

CCCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778747

ZINC000013778747 (search)

COC(=O)[C@@H]1C[C@H](C(=O)O)O[C@H]1[C@H](CC(C)C)NC(C)=O ZINC000005962783

ZINC000005962783 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1O[C@@H](C(=O)O)C[C@H]1c1c[nH]cn1 ZINC000028357788

ZINC000028357788 (search)

CCCCCCO[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004134488

ZINC000004134488 (search)

CCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560226

ZINC000013560226 (search)

CCCN(CCc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778785

ZINC000013778785 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1N ZINC000022040525

ZINC000022040525 (search)

CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)O)=C[C@H]1NC(=O)C(C)C ZINC000014944913

ZINC000014944913 (search)

CCCN(CCc1ccc(O)cc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778782

ZINC000013778782 (search)

CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000013780043

ZINC000013780043 (search)

CCCN(CCc1cccc(O)c1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778784

ZINC000013778784 (search)

CCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1NC(=N)N ZINC000003947885

ZINC000003947885 (search)

CCC(CC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560196

ZINC000013560196 (search)

CC(=O)N[C@H](C(=O)O)[C@@H]1CCC(=C2SCCCS2)C1 ZINC000029560483

ZINC000029560483 (search)

CCNC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560186

ZINC000013560186 (search)

CC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560250

ZINC000013560250 (search)

CCCN(CCc1cccc(OC)c1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778783

ZINC000013778783 (search)

CCC(CC)C(=O)N[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000014944915

ZINC000014944915 (search)

CCCN(CCc1ccc(OC)cc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778781

ZINC000013778781 (search)

CCCCCCCCO[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000004646291

ZINC000004646291 (search)

C=CCNC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560190

ZINC000013560190 (search)

CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](NCC)[C@H]1NC(C)=O ZINC000027740310

ZINC000027740310 (search)

CCCN(CCc1cccc(-c2ccccc2)c1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778793

ZINC000013778793 (search)

CC(=O)N[C@@H](CC(C)C)[C@@H]1N[C@@H](C(=O)O)C[C@H]1/C=C/Cl ZINC000013645243

ZINC000013645243 (search)

CC(=O)N[C@H](C(=O)NC(C)C)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560188

ZINC000013560188 (search)

CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@@H]1C(=O)N1[C@H](C)CC[C@H]1C ZINC000027883904

ZINC000027883904 (search)

CCCN(CCc1ccc(Cc2ccccc2)cc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778791

ZINC000013778791 (search)

CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)CC ZINC000003933033

ZINC000003933033 (search)

CCCN(C)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560214

ZINC000013560214 (search)

CCCN(CCc1ccc(C(C)C)cc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778790

ZINC000013778790 (search)

CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O ZINC000013780042

ZINC000013780042 (search)

CCC(=O)[C@@H]1C[C@H](C(=O)O)N[C@H]1[C@H](CC(C)C)NC(C)=O ZINC000013645201

ZINC000013645201 (search)

CC(=O)N[C@H](C(=O)N(C)C(C)C)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560216

ZINC000013560216 (search)

CC(=O)N[C@H](C(=O)N1CCCCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560244

ZINC000013560244 (search)

CCCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560228

ZINC000013560228 (search)

CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(=O)CC ZINC000003933031

ZINC000003933031 (search)

CCCN(CCC)C(=O)[C@@H]1OC(C(=O)O)=C[C@@H](N)[C@H]1NC(C)=O ZINC000027744752

ZINC000027744752 (search)

CC(=O)N[C@H](C(=O)N1CCOCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560260

ZINC000013560260 (search)

CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N(CCc1ccccc1)C(C)C ZINC000013778773

ZINC000013778773 (search)

CCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N)[C@H]1NC(C)=O ZINC000013778761

ZINC000013778761 (search)

CC(=O)N[C@H](C(=O)N1CCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560240

ZINC000013560240 (search)

CCCN(CCC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N ZINC000013560238

ZINC000013560238 (search)