Compound Name

SMILES String

CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1

CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|

CN(C)CCCSC(N)=N

NCCc1cnc[nH]1

NC(Cc1cnc[nH]1)C(O)=O

c1c[nH]cn1

Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|

CNC(=S)NCCSCc1[nH]cnc1C

CNCCc1cnc[nH]1

CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2

C[C@@H](N)Cc1cnc[nH]1 |r|

CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1

S=C(NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1

[#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|

C[C@H](N)Cc1cnc[nH]1 |r|

CNC(=S)NCCCCc1cnc[nH]1

CCCCCCC(=O)N1CCC(CC1)c1cnc[nH]1

NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1 |w:11.12|

[H]/N=C(\N)/SCCc1cnc[nH]1

Ic1ccc(COCCCc2cnc[nH]2)cc1

CCCC(=O)NCCc1cnc([nH]1)-c1ccccc1

Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12

NC(SCCCc1cnc[nH]1)=NCCc1ccc(I)cc1 |w:11.12|

NC(=NC1CCCCC1)N1CCC(CC1)c1cnc[nH]1 |w:2.2|

N[C@@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1 |r|

N[C@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1 |r|

N[C@@H](CC1CCCCC1)C(=O)NCCc1cnc[nH]1 |r|

CN[C@@H](Cc1ccccc1)C(=O)NCCc1cnc[nH]1 |r|

N[C@H](C(=O)NCCc1cnc[nH]1)c1ccccc1 |r|

N[C@@H](CCc1ccccc1)C(=O)NCCc1cnc[nH]1 |r|

O=C(CCCC1CCCCC1)NCCc1cnc[nH]1

C(CC1CCCCC1)C=CCCc1cnc[nH]1 |w:9.10|

N[C@@H](CC1CCCCC1)C=CCCc1cnc[nH]1 |r,w:10.11|

C(CC1CCCCC1)C#CCCc1cnc[nH]1

C(CC1CCCC1)C#CCCc1cnc[nH]1

C(CC#CCCc1cnc[nH]1)CC1CCCCC1

C(CC#Cc1cnc[nH]1)CC1CCCCC1

CC(C)(C)CCC#CCCc1cnc[nH]1

C(CCCc1cnc[nH]1)CCC1CCCCC1

C(Cc1cnc[nH]1)C=CCCc1ccccc1 |w:7.7|

CN1CCN(CC1)C1=c2ccccc2=Nc2ccc(Cl)cc2N1 |c:8,15|

c1c([nH]cn1)CC2CCNCC2

NCCCCCc1cnc[nH]1

CC(CN(C)C)CN1c2ccccc2Sc2ccc(cc12)C#N

CCn1c2nocc2c(=O)[nH]c1=O

C[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(CCCOc2ccc(cc2)C(=O)C2CC2)CC1

O=C(C1CC1)c1ccc(OCCCc2cnc[nH]2)cc1

Clc1cc(Cl)cc(NC(=O)NCc2ccc(Cc3cnc[nH]3)cc2)c1

CC(C)(C)c1ccc(NC(=O)N2CCN(CC2)c2ncccc2Cl)cc1

CN(C)[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1 |r|

O=C(CCCCC1CCCCC1)N1CCC(CC1)c1cnc[nH]1

C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1

C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1 |r|

C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|

CC(C)(C)CCC#C[C@@H]1C[C@H]1c1cnc[nH]1

CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1