CAS1

Reference Set (30 Compounds)

C=CCN(C)CCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1 ZINC000040420492

ZINC000040420492 (search)

CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[n+]3ccccc3)CCC[C@@]21C ZINC000096269538

ZINC000096269538 (search)

C=CCN(C)Cc1ccc(-c2ccc(C(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000001533388

ZINC000001533388 (search)

CN(C/C=C/COc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1 ZINC000003581390

ZINC000003581390 (search)

CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN(C)C)CCC[C@@]21C ZINC000096269540

ZINC000096269540 (search)

CCN(CC)C1(CCCC[C@H]2CC[C@H](N(C)S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000261085387

ZINC000261085387 (search)

C=CCN(C)CCCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000261142164

ZINC000261142164 (search)

Brc1ccc(-c2nsc3cc(OCCCCN4CCOCC4)ccc23)cc1 ZINC000040420993

ZINC000040420993 (search)

CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCCN3CCCCC3)CCC[C@@]21C ZINC000096269539

ZINC000096269539 (search)

CCN(CC#Cc1ccc2c(-c3ccc(Br)cc3)nsc2c1)CCO ZINC000040421045

ZINC000040421045 (search)

C=CCN(C)CCCC1=C2CC[C@H]([C@H](C)CCCC(C)C)[C@@]2(C)CCC1 ZINC000096269541

ZINC000096269541 (search)

Brc1ccc(-c2nsc3cc(CCCCCN4CCOCC4)ccc23)cc1 ZINC000040935943

ZINC000040935943 (search)

CCN(CCO)CCCCC[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1 ZINC000253664580

ZINC000253664580 (search)

CC(=O)N(CCO)CCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1 ZINC000040933963

ZINC000040933963 (search)

C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1 ZINC000001546452

ZINC000001546452 (search)

C=CCN(C)CCCCC[C@H]1CC[C@@H](N(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1 ZINC000146295959

ZINC000146295959 (search)

CCN(CC)CCCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000261142934

ZINC000261142934 (search)

CCN(CCO)C(C)(C)C#Cc1ccc2c(-c3ccc(Br)cc3)nsc2c1 ZINC000038470060

ZINC000038470060 (search)

CC(C)CCC[C@@H](C)[C@H]1CCC2=C(CCC[N+](C)(C)[O-])CCC[C@@]21C ZINC000096269542

ZINC000096269542 (search)

CN([C@H]1CC[C@H](CCCCCN(CCO)CCO)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000261129686

ZINC000261129686 (search)

CCN(CCO)CCCC#Cc1ccc2c(-c3ccc(Br)cc3)nsc2c1 ZINC000034353996

ZINC000034353996 (search)

C=CCN(C)CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1 ZINC000002563947

ZINC000002563947 (search)

CCN(CC)C(=O)CCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000261138899

ZINC000261138899 (search)

CCN(CCO)CCCCOc1ccc2c(-c3ccc(Br)cc3)nsc2c1 ZINC000034299408

ZINC000034299408 (search)

O=C(c1ccc(Cl)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1 ZINC000000598970

ZINC000000598970 (search)

C=CCN(C)CCCCCCOc1ccc2c(-c3ccc(Br)cc3)nn(C)c2c1 ZINC000012504009

ZINC000012504009 (search)

C=CCN(C)C/C=C/COc1ccc2c(-c3ccc(Br)cc3)coc2c1 ZINC000002047553

ZINC000002047553 (search)

CCN(CCO)CCCCC[C@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000146539944

ZINC000146539944 (search)

CCN(CC)C(C)(C)CCCC[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000253664976

ZINC000253664976 (search)

C=CCN(C)CCCCCCOc1ccc(-c2nsc3cc(Br)ccc23)cc1 ZINC000013519697

ZINC000013519697 (search)