Compound Name

SMILES String

C=CCOCc1ccccc1

C=CCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12

CC(=O)C(C(C)=O)C1=CC(=O)C(=O)c2ccccc12 |t:7|

CC(C)n1cnc(c1)S(=O)(=O)N1CCC(CC1)C(=O)NCc1ccc(C)cc1

CC1(C)C2C(=NC1=O)c1ccccc1C(=O)C2=O |c:4|

CCC(C)n1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12

CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12

CCCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12

CCCCn1c(NC(=O)c2ccc(Br)o2)c(C#N)c2nc3ccccc3nc12

CCCCn1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc12

CCCCn1c(NC(=O)c2cccs2)c(C#N)c2nc3ccccc3nc12

CCCCn1c(NS(=O)(=O)c2ccc(C)cc2)c(C#N)c2nc3ccccc3nc12

CCCc1nn(C)c2nc(=O)n(C)c(=O)c2n1

CCOC(=O)\C=C/CBr

CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12

CCOc1ccccc1\C=C1/Cc2ccccc2C1=O

CCn1nc(\C=C\c2ccccc2)nc2c1nc(=O)n(C)c2=O

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(OC)cc1

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(=O)OC

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)[N+]([O-])=O

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1C

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1Cl

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccnc1

CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1

CN1N=C(Nc2c1nc(O)n(C)c2=O)c1ccccc1 |c:2|

COCCCn1c(N)c(C(=O)NCCC(C)C)c2nc3ccccc3nc12

COCCn1c(NC(=O)c2cccc(c2)[N+]([O-])=O)c(C#N)c2nc3ccccc3nc12

COc1ccc(CCI)cc1

COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc(Br)cnc2N)cc1

COc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

COc1ccc(cc1OC)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

Cc1ccc(cc1)-c1nn(C)c2nc(=O)n(C)c(=O)c2n1

Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1

Cn1c(N)c(C(=O)NCc2ccccc2)c2nc3ccccc3nc12

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)c(Cl)c1

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(Cl)cc1

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(F)cc1

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)C(F)(F)F

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc(cc1)[N+]([O-])=O

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccc2OCOc2c1

Cn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1

Nc1c(Br)cc(Br)c2nsnc12

Nc1c(O)ccc2nsnc12

Nc1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

O=C1C=C(NCc2ccccc2)c2ccccc2C1=O |t:2|

O=C1c2ccccc2-c2nc3nonc3nc12

O=C1c2nn(nc2-c2ccccc2C1=O)-c1ccccc1

OC1(O)c2ccccc2C(=O)[C@@]1(O)[C@@]1(O)C(=O)c2ccccc2C1(O)O |r|

Oc1cc(cc(O)c1O)C(=O)Oc1cc(cc(O)c1O)C(=O)OC[C@H]1O[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1 |r|

[O-][N+](=O)c1cc(ccc1Cl)C(=O)Nc1c(C#N)c2nc3ccccc3nc2n1Cc1ccccc1

[O-][N+](=O)c1ccc-2c(c1)C(=O)C(=O)c1ccccc-21

c1c2ccccc2n2ccc3ccccc3c12